USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 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 96 THR OG1 : rot 94:sc= 0.123 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= 0.335 F(o=-0.22,f=0.46) USER MOD Set 2.1: A 79 SER OG : rot -170:sc= 0.716! USER MOD Set 2.2: A 82 THR OG1 : rot 139:sc= 0.775 USER MOD Set 3.1: A 27 SER OG : rot -160:sc= -0.304 USER MOD Set 3.2: A 112 HIS : no HE2:sc= -2.29! C(o=-2.6!,f=-11!) USER MOD Single : A 18 TYR OH : rot 150:sc= -0.0745 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.372 USER MOD Single : A 24 SER OG : rot -119:sc= 0.652 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 30 ASN : amide:sc=-0.00533 K(o=-0.0053,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc=-0.00658 (180deg=-0.373) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.879 F(o=-1.7!,f=-0.88) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -168:sc= -2.55! (180deg=-2.66!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.7) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00405) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 163:sc= -0.573 (180deg=-1.4!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -41:sc= 1.14 USER MOD Single : A 84 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.82) USER MOD Single : A 87 ASN : amide:sc= -0.364 K(o=-0.36,f=-4.7!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot -130:sc= -1.11 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 1.380 -12.756 -5.264 1.00 0.00 N ATOM 223 CA ILE A 14 2.482 -11.809 -4.819 1.00 0.00 C ATOM 224 C ILE A 14 1.894 -10.461 -4.338 1.00 0.00 C ATOM 225 O ILE A 14 2.416 -9.851 -3.424 1.00 0.00 O ATOM 226 CB ILE A 14 3.391 -11.588 -6.047 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.532 -10.623 -5.692 1.00 0.00 C ATOM 228 CG2 ILE A 14 2.574 -10.996 -7.199 1.00 0.00 C ATOM 229 CD1 ILE A 14 5.389 -11.215 -4.569 1.00 0.00 C ATOM 0 HA ILE A 14 3.038 -12.230 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 14 3.809 -12.548 -6.349 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.149 -10.437 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.123 -9.662 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.221 -10.842 -8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.770 -11.682 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.148 -10.041 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.196 -10.524 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.770 -11.378 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.812 -12.165 -4.896 1.00 0.00 H new ATOM 241 N GLU A 15 0.801 -10.001 -4.929 1.00 0.00 N ATOM 242 CA GLU A 15 0.187 -8.699 -4.466 1.00 0.00 C ATOM 243 C GLU A 15 -0.037 -8.731 -2.942 1.00 0.00 C ATOM 244 O GLU A 15 0.071 -7.717 -2.281 1.00 0.00 O ATOM 245 CB GLU A 15 -1.161 -8.556 -5.195 1.00 0.00 C ATOM 246 CG GLU A 15 -0.988 -7.651 -6.416 1.00 0.00 C ATOM 247 CD GLU A 15 -0.709 -8.507 -7.652 1.00 0.00 C ATOM 248 OE1 GLU A 15 -1.528 -9.360 -7.954 1.00 0.00 O ATOM 249 OE2 GLU A 15 0.319 -8.297 -8.274 1.00 0.00 O ATOM 0 H GLU A 15 0.316 -10.462 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 15 0.843 -7.858 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.525 -9.536 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.908 -8.137 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.887 -7.054 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.167 -6.953 -6.251 1.00 0.00 H new ATOM 256 N GLY A 16 -0.333 -9.886 -2.372 1.00 0.00 N ATOM 257 CA GLY A 16 -0.530 -9.949 -0.892 1.00 0.00 C ATOM 258 C GLY A 16 0.832 -9.786 -0.207 1.00 0.00 C ATOM 259 O GLY A 16 0.953 -9.074 0.772 1.00 0.00 O ATOM 0 H GLY A 16 -0.444 -10.771 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.212 -9.163 -0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.983 -10.900 -0.611 1.00 0.00 H new ATOM 263 N ARG A 17 1.869 -10.423 -0.722 1.00 0.00 N ATOM 264 CA ARG A 17 3.230 -10.268 -0.086 1.00 0.00 C ATOM 265 C ARG A 17 3.635 -8.785 -0.048 1.00 0.00 C ATOM 266 O ARG A 17 4.377 -8.381 0.823 1.00 0.00 O ATOM 267 CB ARG A 17 4.222 -11.066 -0.947 1.00 0.00 C ATOM 268 CG ARG A 17 5.363 -11.579 -0.065 1.00 0.00 C ATOM 269 CD ARG A 17 6.366 -12.354 -0.925 1.00 0.00 C ATOM 270 NE ARG A 17 6.007 -13.787 -0.735 1.00 0.00 N ATOM 271 CZ ARG A 17 6.882 -14.619 -0.242 1.00 0.00 C ATOM 272 NH1 ARG A 17 7.005 -14.747 1.052 1.00 0.00 N ATOM 273 NH2 ARG A 17 7.635 -15.324 -1.041 1.00 0.00 N ATOM 0 H ARG A 17 1.835 -11.032 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 17 3.222 -10.635 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.714 -11.903 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.618 -10.436 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.860 -10.743 0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.968 -12.223 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.294 -12.064 -1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.391 -12.158 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 17 5.077 -14.118 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.417 -14.196 1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.689 -15.398 1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.539 -15.225 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.319 -15.975 -0.655 1.00 0.00 H new ATOM 287 N TYR A 18 3.156 -7.958 -0.969 1.00 0.00 N ATOM 288 CA TYR A 18 3.535 -6.491 -0.929 1.00 0.00 C ATOM 289 C TYR A 18 3.262 -5.923 0.474 1.00 0.00 C ATOM 290 O TYR A 18 4.031 -5.128 0.981 1.00 0.00 O ATOM 291 CB TYR A 18 2.650 -5.764 -1.963 1.00 0.00 C ATOM 292 CG TYR A 18 3.433 -5.457 -3.218 1.00 0.00 C ATOM 293 CD1 TYR A 18 4.235 -6.440 -3.815 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.342 -4.185 -3.794 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.947 -6.147 -4.984 1.00 0.00 C ATOM 296 CE2 TYR A 18 4.051 -3.893 -4.962 1.00 0.00 C ATOM 297 CZ TYR A 18 4.855 -4.873 -5.559 1.00 0.00 C ATOM 298 OH TYR A 18 5.554 -4.584 -6.713 1.00 0.00 O ATOM 0 H TYR A 18 2.533 -8.228 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 18 4.592 -6.356 -1.157 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.787 -6.383 -2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.266 -4.839 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.303 -7.423 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.723 -3.428 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.567 -6.903 -5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.979 -2.911 -5.405 1.00 0.00 H new ATOM 0 HH TYR A 18 5.064 -3.913 -7.233 1.00 0.00 H new ATOM 308 N ALA A 19 2.183 -6.339 1.112 1.00 0.00 N ATOM 309 CA ALA A 19 1.903 -5.818 2.495 1.00 0.00 C ATOM 310 C ALA A 19 2.870 -6.465 3.493 1.00 0.00 C ATOM 311 O ALA A 19 3.335 -5.812 4.410 1.00 0.00 O ATOM 312 CB ALA A 19 0.455 -6.193 2.843 1.00 0.00 C ATOM 0 H ALA A 19 1.500 -7.001 0.744 1.00 0.00 H new ATOM 0 HA ALA A 19 2.037 -4.737 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.215 -5.830 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.222 -5.739 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.343 -7.277 2.814 1.00 0.00 H new ATOM 318 N THR A 20 3.187 -7.737 3.330 1.00 0.00 N ATOM 319 CA THR A 20 4.138 -8.380 4.296 1.00 0.00 C ATOM 320 C THR A 20 5.576 -7.944 4.000 1.00 0.00 C ATOM 321 O THR A 20 6.360 -7.768 4.915 1.00 0.00 O ATOM 322 CB THR A 20 3.974 -9.903 4.170 1.00 0.00 C ATOM 323 OG1 THR A 20 3.063 -10.204 3.119 1.00 0.00 O ATOM 324 CG2 THR A 20 3.436 -10.455 5.494 1.00 0.00 C ATOM 0 H THR A 20 2.836 -8.342 2.587 1.00 0.00 H new ATOM 0 HA THR A 20 3.917 -8.071 5.318 1.00 0.00 H new ATOM 0 HB THR A 20 4.938 -10.360 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.963 -11.176 3.041 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.316 -11.536 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.138 -10.225 6.296 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.471 -9.998 5.714 1.00 0.00 H new ATOM 332 N ALA A 21 5.933 -7.730 2.750 1.00 0.00 N ATOM 333 CA ALA A 21 7.330 -7.262 2.465 1.00 0.00 C ATOM 334 C ALA A 21 7.484 -5.784 2.870 1.00 0.00 C ATOM 335 O ALA A 21 8.593 -5.311 3.043 1.00 0.00 O ATOM 336 CB ALA A 21 7.565 -7.440 0.958 1.00 0.00 C ATOM 0 H ALA A 21 5.333 -7.856 1.935 1.00 0.00 H new ATOM 0 HA ALA A 21 8.061 -7.835 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.573 -7.111 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.450 -8.491 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.839 -6.845 0.404 1.00 0.00 H new ATOM 342 N LEU A 22 6.396 -5.051 3.056 1.00 0.00 N ATOM 343 CA LEU A 22 6.538 -3.622 3.486 1.00 0.00 C ATOM 344 C LEU A 22 6.338 -3.550 4.995 1.00 0.00 C ATOM 345 O LEU A 22 7.109 -2.917 5.693 1.00 0.00 O ATOM 346 CB LEU A 22 5.446 -2.831 2.756 1.00 0.00 C ATOM 347 CG LEU A 22 5.559 -1.346 3.127 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.254 -0.583 1.998 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.161 -0.763 3.351 1.00 0.00 C ATOM 0 H LEU A 22 5.438 -5.379 2.930 1.00 0.00 H new ATOM 0 HA LEU A 22 7.520 -3.214 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.549 -2.957 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.462 -3.212 3.029 1.00 0.00 H new ATOM 0 HG LEU A 22 6.143 -1.249 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.332 0.471 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.252 -0.993 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.674 -0.682 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.244 0.291 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.574 -0.864 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.668 -1.301 4.160 1.00 0.00 H new ATOM 361 N TYR A 23 5.334 -4.224 5.517 1.00 0.00 N ATOM 362 CA TYR A 23 5.143 -4.208 6.989 1.00 0.00 C ATOM 363 C TYR A 23 6.169 -5.159 7.657 1.00 0.00 C ATOM 364 O TYR A 23 6.376 -5.066 8.848 1.00 0.00 O ATOM 365 CB TYR A 23 3.650 -4.581 7.249 1.00 0.00 C ATOM 366 CG TYR A 23 3.495 -5.901 7.969 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.861 -6.008 9.310 1.00 0.00 C ATOM 368 CD2 TYR A 23 2.996 -7.007 7.290 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.736 -7.226 9.976 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.867 -8.228 7.944 1.00 0.00 C ATOM 371 CZ TYR A 23 3.240 -8.346 9.292 1.00 0.00 C ATOM 372 OH TYR A 23 3.113 -9.555 9.943 1.00 0.00 O ATOM 0 H TYR A 23 4.655 -4.772 4.990 1.00 0.00 H new ATOM 0 HA TYR A 23 5.331 -3.231 7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.180 -3.793 7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.120 -4.626 6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.243 -5.144 9.834 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.708 -6.918 6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.020 -7.307 11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.480 -9.086 7.414 1.00 0.00 H new ATOM 0 HH TYR A 23 2.753 -10.224 9.324 1.00 0.00 H new ATOM 382 N SER A 24 6.837 -6.056 6.917 1.00 0.00 N ATOM 383 CA SER A 24 7.861 -6.954 7.586 1.00 0.00 C ATOM 384 C SER A 24 8.823 -6.075 8.404 1.00 0.00 C ATOM 385 O SER A 24 9.151 -6.390 9.532 1.00 0.00 O ATOM 386 CB SER A 24 8.617 -7.686 6.469 1.00 0.00 C ATOM 387 OG SER A 24 9.954 -7.930 6.886 1.00 0.00 O ATOM 0 H SER A 24 6.718 -6.196 5.914 1.00 0.00 H new ATOM 0 HA SER A 24 7.395 -7.676 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.120 -8.627 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.612 -7.087 5.558 1.00 0.00 H new ATOM 0 HG SER A 24 10.574 -7.479 6.276 1.00 0.00 H new ATOM 393 N ALA A 25 9.208 -4.932 7.866 1.00 0.00 N ATOM 394 CA ALA A 25 10.068 -3.999 8.661 1.00 0.00 C ATOM 395 C ALA A 25 9.158 -3.334 9.705 1.00 0.00 C ATOM 396 O ALA A 25 9.526 -3.190 10.855 1.00 0.00 O ATOM 397 CB ALA A 25 10.631 -2.954 7.684 1.00 0.00 C ATOM 0 H ALA A 25 8.966 -4.614 6.927 1.00 0.00 H new ATOM 0 HA ALA A 25 10.893 -4.504 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.265 -2.253 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.219 -3.455 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.809 -2.412 7.217 1.00 0.00 H new ATOM 403 N ALA A 26 7.948 -2.949 9.314 1.00 0.00 N ATOM 404 CA ALA A 26 7.000 -2.319 10.310 1.00 0.00 C ATOM 405 C ALA A 26 6.815 -3.245 11.529 1.00 0.00 C ATOM 406 O ALA A 26 6.742 -2.784 12.651 1.00 0.00 O ATOM 407 CB ALA A 26 5.655 -2.146 9.587 1.00 0.00 C ATOM 0 H ALA A 26 7.584 -3.043 8.366 1.00 0.00 H new ATOM 0 HA ALA A 26 7.388 -1.365 10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.933 -1.693 10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.789 -1.502 8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.288 -3.120 9.264 1.00 0.00 H new ATOM 413 N SER A 27 6.746 -4.551 11.321 1.00 0.00 N ATOM 414 CA SER A 27 6.571 -5.493 12.492 1.00 0.00 C ATOM 415 C SER A 27 7.698 -5.253 13.510 1.00 0.00 C ATOM 416 O SER A 27 7.461 -5.202 14.702 1.00 0.00 O ATOM 417 CB SER A 27 6.666 -6.919 11.931 1.00 0.00 C ATOM 418 OG SER A 27 6.161 -7.837 12.893 1.00 0.00 O ATOM 0 H SER A 27 6.802 -4.999 10.407 1.00 0.00 H new ATOM 0 HA SER A 27 5.616 -5.336 12.993 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.097 -6.996 11.004 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.702 -7.159 11.691 1.00 0.00 H new ATOM 0 HG SER A 27 6.497 -8.736 12.695 1.00 0.00 H new ATOM 424 N LYS A 28 8.921 -5.081 13.044 1.00 0.00 N ATOM 425 CA LYS A 28 10.051 -4.816 14.003 1.00 0.00 C ATOM 426 C LYS A 28 9.844 -3.438 14.650 1.00 0.00 C ATOM 427 O LYS A 28 10.056 -3.271 15.837 1.00 0.00 O ATOM 428 CB LYS A 28 11.350 -4.832 13.182 1.00 0.00 C ATOM 429 CG LYS A 28 12.552 -4.753 14.126 1.00 0.00 C ATOM 430 CD LYS A 28 13.693 -4.000 13.440 1.00 0.00 C ATOM 431 CE LYS A 28 14.903 -3.942 14.375 1.00 0.00 C ATOM 432 NZ LYS A 28 15.714 -5.142 14.030 1.00 0.00 N ATOM 0 H LYS A 28 9.182 -5.112 12.058 1.00 0.00 H new ATOM 0 HA LYS A 28 10.093 -5.565 14.794 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.403 -5.742 12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.364 -3.992 12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.270 -4.245 15.048 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.878 -5.756 14.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.963 -4.498 12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.372 -2.991 13.180 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.473 -3.025 14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.595 -3.961 15.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.563 -5.172 14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.148 -6.000 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.998 -5.093 13.031 1.00 0.00 H new ATOM 446 N GLN A 29 9.408 -2.451 13.886 1.00 0.00 N ATOM 447 CA GLN A 29 9.169 -1.093 14.488 1.00 0.00 C ATOM 448 C GLN A 29 7.795 -1.024 15.193 1.00 0.00 C ATOM 449 O GLN A 29 7.467 -0.016 15.787 1.00 0.00 O ATOM 450 CB GLN A 29 9.220 -0.088 13.327 1.00 0.00 C ATOM 451 CG GLN A 29 10.678 0.239 12.998 1.00 0.00 C ATOM 452 CD GLN A 29 10.732 1.187 11.795 1.00 0.00 C ATOM 453 OE1 GLN A 29 9.810 1.947 11.569 1.00 0.00 O ATOM 454 NE2 GLN A 29 11.776 1.181 11.002 1.00 0.00 N ATOM 0 H GLN A 29 9.211 -2.527 12.888 1.00 0.00 H new ATOM 0 HA GLN A 29 9.922 -0.873 15.244 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.723 -0.503 12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.684 0.822 13.596 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.161 0.700 13.859 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.226 -0.677 12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.553 0.546 11.186 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.812 1.811 10.201 1.00 0.00 H new ATOM 463 N ASN A 30 6.976 -2.073 15.134 1.00 0.00 N ATOM 464 CA ASN A 30 5.630 -2.043 15.801 1.00 0.00 C ATOM 465 C ASN A 30 4.725 -1.033 15.091 1.00 0.00 C ATOM 466 O ASN A 30 3.990 -0.299 15.725 1.00 0.00 O ATOM 467 CB ASN A 30 5.861 -1.639 17.267 1.00 0.00 C ATOM 468 CG ASN A 30 4.785 -2.281 18.151 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.685 -2.529 17.697 1.00 0.00 O ATOM 470 ND2 ASN A 30 5.050 -2.566 19.403 1.00 0.00 N ATOM 0 H ASN A 30 7.192 -2.944 14.649 1.00 0.00 H new ATOM 0 HA ASN A 30 5.140 -3.015 15.752 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.851 -1.959 17.591 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.828 -0.554 17.366 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.335 -2.994 19.991 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.971 -2.360 19.789 1.00 0.00 H new ATOM 477 N LYS A 31 4.761 -0.999 13.774 1.00 0.00 N ATOM 478 CA LYS A 31 3.885 -0.043 13.032 1.00 0.00 C ATOM 479 C LYS A 31 2.723 -0.777 12.322 1.00 0.00 C ATOM 480 O LYS A 31 2.073 -0.202 11.472 1.00 0.00 O ATOM 481 CB LYS A 31 4.806 0.632 12.012 1.00 0.00 C ATOM 482 CG LYS A 31 5.815 1.520 12.743 1.00 0.00 C ATOM 483 CD LYS A 31 5.161 2.856 13.098 1.00 0.00 C ATOM 484 CE LYS A 31 6.187 3.764 13.777 1.00 0.00 C ATOM 485 NZ LYS A 31 6.339 3.211 15.152 1.00 0.00 N ATOM 0 H LYS A 31 5.355 -1.588 13.191 1.00 0.00 H new ATOM 0 HA LYS A 31 3.418 0.677 13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.329 -0.122 11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.218 1.229 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.164 1.023 13.648 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.690 1.688 12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.776 3.335 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.311 2.692 13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.136 3.757 13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.843 4.798 13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.512 3.988 15.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.469 2.708 15.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.142 2.550 15.174 1.00 0.00 H new ATOM 499 N LEU A 32 2.432 -2.030 12.668 1.00 0.00 N ATOM 500 CA LEU A 32 1.282 -2.767 12.009 1.00 0.00 C ATOM 501 C LEU A 32 0.023 -1.880 11.997 1.00 0.00 C ATOM 502 O LEU A 32 -0.722 -1.876 11.037 1.00 0.00 O ATOM 503 CB LEU A 32 1.050 -4.029 12.871 1.00 0.00 C ATOM 504 CG LEU A 32 1.948 -5.200 12.413 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.335 -5.842 11.170 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.380 -4.725 12.101 1.00 0.00 C ATOM 0 H LEU A 32 2.938 -2.567 13.372 1.00 0.00 H new ATOM 0 HA LEU A 32 1.502 -3.025 10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.255 -3.799 13.917 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.003 -4.326 12.809 1.00 0.00 H new ATOM 0 HG LEU A 32 2.008 -5.927 13.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.963 -6.670 10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.339 -6.215 11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.265 -5.100 10.374 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.984 -5.575 11.782 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.351 -3.981 11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.820 -4.283 12.995 1.00 0.00 H new ATOM 518 N GLU A 33 -0.196 -1.100 13.038 1.00 0.00 N ATOM 519 CA GLU A 33 -1.391 -0.188 13.038 1.00 0.00 C ATOM 520 C GLU A 33 -1.113 0.985 12.084 1.00 0.00 C ATOM 521 O GLU A 33 -1.972 1.384 11.319 1.00 0.00 O ATOM 522 CB GLU A 33 -1.567 0.319 14.478 1.00 0.00 C ATOM 523 CG GLU A 33 -2.852 1.143 14.578 1.00 0.00 C ATOM 524 CD GLU A 33 -3.312 1.200 16.036 1.00 0.00 C ATOM 525 OE1 GLU A 33 -3.440 0.147 16.637 1.00 0.00 O ATOM 526 OE2 GLU A 33 -3.529 2.296 16.525 1.00 0.00 O ATOM 0 H GLU A 33 0.390 -1.056 13.872 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.295 -0.698 12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.608 -0.523 15.168 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.710 0.927 14.768 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.680 2.151 14.201 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.630 0.699 13.958 1.00 0.00 H new ATOM 533 N GLN A 34 0.092 1.527 12.105 1.00 0.00 N ATOM 534 CA GLN A 34 0.421 2.663 11.169 1.00 0.00 C ATOM 535 C GLN A 34 0.320 2.206 9.706 1.00 0.00 C ATOM 536 O GLN A 34 0.049 3.009 8.831 1.00 0.00 O ATOM 537 CB GLN A 34 1.861 3.099 11.489 1.00 0.00 C ATOM 538 CG GLN A 34 1.911 3.719 12.890 1.00 0.00 C ATOM 539 CD GLN A 34 1.048 4.988 12.929 1.00 0.00 C ATOM 540 OE1 GLN A 34 1.518 6.114 12.448 1.00 0.00 O flip ATOM 541 NE2 GLN A 34 -0.070 4.956 13.403 1.00 0.00 N flip ATOM 0 H GLN A 34 0.851 1.236 12.721 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.280 3.487 11.302 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.532 2.241 11.436 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.206 3.820 10.748 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.552 3.002 13.628 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.941 3.960 13.154 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.440 4.083 13.778 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.639 5.802 13.426 1.00 0.00 H new ATOM 550 N VAL A 35 0.547 0.938 9.416 1.00 0.00 N ATOM 551 CA VAL A 35 0.468 0.483 7.987 1.00 0.00 C ATOM 552 C VAL A 35 -0.856 -0.261 7.716 1.00 0.00 C ATOM 553 O VAL A 35 -1.423 -0.133 6.647 1.00 0.00 O ATOM 554 CB VAL A 35 1.670 -0.464 7.739 1.00 0.00 C ATOM 555 CG1 VAL A 35 2.047 -0.415 6.259 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.908 -0.065 8.574 1.00 0.00 C ATOM 0 H VAL A 35 0.779 0.213 10.095 1.00 0.00 H new ATOM 0 HA VAL A 35 0.501 1.342 7.317 1.00 0.00 H new ATOM 0 HB VAL A 35 1.367 -1.467 8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.892 -1.079 6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.197 -0.735 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.321 0.604 5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.725 -0.757 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.214 0.947 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.659 -0.104 9.635 1.00 0.00 H new ATOM 566 N GLU A 36 -1.358 -1.039 8.658 1.00 0.00 N ATOM 567 CA GLU A 36 -2.651 -1.780 8.403 1.00 0.00 C ATOM 568 C GLU A 36 -3.862 -0.828 8.416 1.00 0.00 C ATOM 569 O GLU A 36 -4.872 -1.120 7.803 1.00 0.00 O ATOM 570 CB GLU A 36 -2.797 -2.816 9.529 1.00 0.00 C ATOM 571 CG GLU A 36 -3.825 -3.872 9.119 1.00 0.00 C ATOM 572 CD GLU A 36 -4.476 -4.464 10.371 1.00 0.00 C ATOM 573 OE1 GLU A 36 -4.974 -3.693 11.176 1.00 0.00 O ATOM 574 OE2 GLU A 36 -4.465 -5.677 10.504 1.00 0.00 O ATOM 0 H GLU A 36 -0.939 -1.192 9.575 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.623 -2.249 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.835 -3.288 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.111 -2.326 10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.585 -3.425 8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.342 -4.659 8.540 1.00 0.00 H new ATOM 581 N LYS A 37 -3.792 0.296 9.108 1.00 0.00 N ATOM 582 CA LYS A 37 -4.978 1.220 9.136 1.00 0.00 C ATOM 583 C LYS A 37 -4.906 2.250 8.003 1.00 0.00 C ATOM 584 O LYS A 37 -5.927 2.618 7.450 1.00 0.00 O ATOM 585 CB LYS A 37 -4.953 1.916 10.503 1.00 0.00 C ATOM 586 CG LYS A 37 -6.361 2.402 10.855 1.00 0.00 C ATOM 587 CD LYS A 37 -6.393 2.858 12.315 1.00 0.00 C ATOM 588 CE LYS A 37 -7.755 3.483 12.625 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.086 3.017 14.000 1.00 0.00 N ATOM 0 H LYS A 37 -2.981 0.606 9.643 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.904 0.664 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.593 1.227 11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.261 2.758 10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.648 3.224 10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.084 1.601 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.211 2.010 12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.599 3.582 12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.711 4.571 12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.510 3.162 11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.008 3.404 14.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.128 1.978 14.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.354 3.343 14.663 1.00 0.00 H new ATOM 603 N GLU A 38 -3.729 2.715 7.631 1.00 0.00 N ATOM 604 CA GLU A 38 -3.671 3.708 6.508 1.00 0.00 C ATOM 605 C GLU A 38 -3.912 2.982 5.176 1.00 0.00 C ATOM 606 O GLU A 38 -4.551 3.518 4.290 1.00 0.00 O ATOM 607 CB GLU A 38 -2.285 4.350 6.553 1.00 0.00 C ATOM 608 CG GLU A 38 -2.318 5.535 7.521 1.00 0.00 C ATOM 609 CD GLU A 38 -2.527 5.025 8.949 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.672 4.849 9.332 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.539 4.820 9.634 1.00 0.00 O ATOM 0 H GLU A 38 -2.833 2.458 8.044 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.437 4.477 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.542 3.621 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.992 4.684 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.386 6.096 7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.121 6.219 7.247 1.00 0.00 H new ATOM 618 N LEU A 39 -3.441 1.751 5.029 1.00 0.00 N ATOM 619 CA LEU A 39 -3.700 1.003 3.741 1.00 0.00 C ATOM 620 C LEU A 39 -5.215 0.975 3.461 1.00 0.00 C ATOM 621 O LEU A 39 -5.639 1.097 2.328 1.00 0.00 O ATOM 622 CB LEU A 39 -3.176 -0.438 3.932 1.00 0.00 C ATOM 623 CG LEU A 39 -1.870 -0.618 3.157 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.792 0.292 3.749 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.418 -2.076 3.255 1.00 0.00 C ATOM 0 H LEU A 39 -2.901 1.243 5.729 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.200 1.485 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.012 -0.639 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.919 -1.155 3.583 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.030 -0.355 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.138 0.162 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.114 1.331 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.631 0.032 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.487 -2.206 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.259 -2.338 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.185 -2.724 2.831 1.00 0.00 H new ATOM 637 N LEU A 40 -6.038 0.832 4.489 1.00 0.00 N ATOM 638 CA LEU A 40 -7.528 0.820 4.252 1.00 0.00 C ATOM 639 C LEU A 40 -7.964 2.112 3.531 1.00 0.00 C ATOM 640 O LEU A 40 -8.882 2.093 2.733 1.00 0.00 O ATOM 641 CB LEU A 40 -8.198 0.736 5.634 1.00 0.00 C ATOM 642 CG LEU A 40 -8.290 -0.726 6.068 1.00 0.00 C ATOM 643 CD1 LEU A 40 -8.620 -0.796 7.561 1.00 0.00 C ATOM 644 CD2 LEU A 40 -9.394 -1.425 5.271 1.00 0.00 C ATOM 0 H LEU A 40 -5.748 0.725 5.461 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.815 -0.024 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.624 1.307 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.194 1.178 5.595 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.336 -1.220 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.686 -1.839 7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.836 -0.297 8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.574 -0.302 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.461 -2.468 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.347 -0.930 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.162 -1.376 4.207 1.00 0.00 H new ATOM 656 N ARG A 41 -7.315 3.235 3.800 1.00 0.00 N ATOM 657 CA ARG A 41 -7.718 4.514 3.106 1.00 0.00 C ATOM 658 C ARG A 41 -7.607 4.341 1.584 1.00 0.00 C ATOM 659 O ARG A 41 -8.484 4.752 0.849 1.00 0.00 O ATOM 660 CB ARG A 41 -6.747 5.605 3.586 1.00 0.00 C ATOM 661 CG ARG A 41 -7.026 5.929 5.055 1.00 0.00 C ATOM 662 CD ARG A 41 -5.969 6.906 5.573 1.00 0.00 C ATOM 663 NE ARG A 41 -6.644 7.657 6.669 1.00 0.00 N ATOM 664 CZ ARG A 41 -6.277 7.474 7.907 1.00 0.00 C ATOM 665 NH1 ARG A 41 -6.847 6.546 8.627 1.00 0.00 N ATOM 666 NH2 ARG A 41 -5.340 8.219 8.428 1.00 0.00 N ATOM 0 H ARG A 41 -6.539 3.320 4.457 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.749 4.780 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.717 5.268 3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.862 6.502 2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.020 6.363 5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.013 5.015 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.089 6.378 5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.631 7.578 4.784 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.393 8.314 6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.580 5.964 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.560 6.403 9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.894 8.945 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.054 8.075 9.396 1.00 0.00 H new ATOM 680 N VAL A 42 -6.542 3.728 1.103 1.00 0.00 N ATOM 681 CA VAL A 42 -6.410 3.532 -0.385 1.00 0.00 C ATOM 682 C VAL A 42 -7.570 2.655 -0.892 1.00 0.00 C ATOM 683 O VAL A 42 -8.109 2.895 -1.956 1.00 0.00 O ATOM 684 CB VAL A 42 -5.054 2.841 -0.621 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.863 2.556 -2.113 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.929 3.758 -0.135 1.00 0.00 C ATOM 0 H VAL A 42 -5.773 3.362 1.664 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.452 4.479 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.031 1.900 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.901 2.067 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.663 1.904 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.889 3.493 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.967 3.273 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.961 4.697 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.057 3.958 0.929 1.00 0.00 H new ATOM 696 N GLY A 43 -7.967 1.650 -0.136 1.00 0.00 N ATOM 697 CA GLY A 43 -9.097 0.781 -0.580 1.00 0.00 C ATOM 698 C GLY A 43 -10.392 1.603 -0.558 1.00 0.00 C ATOM 699 O GLY A 43 -11.161 1.574 -1.501 1.00 0.00 O ATOM 0 H GLY A 43 -7.555 1.401 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.909 0.401 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.188 -0.084 0.077 1.00 0.00 H new ATOM 703 N GLN A 44 -10.638 2.349 0.505 1.00 0.00 N ATOM 704 CA GLN A 44 -11.893 3.185 0.554 1.00 0.00 C ATOM 705 C GLN A 44 -11.911 4.163 -0.632 1.00 0.00 C ATOM 706 O GLN A 44 -12.944 4.389 -1.234 1.00 0.00 O ATOM 707 CB GLN A 44 -11.861 3.963 1.880 1.00 0.00 C ATOM 708 CG GLN A 44 -12.194 3.017 3.035 1.00 0.00 C ATOM 709 CD GLN A 44 -12.634 3.835 4.256 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.241 4.976 4.405 1.00 0.00 O ATOM 711 NE2 GLN A 44 -13.439 3.304 5.144 1.00 0.00 N ATOM 0 H GLN A 44 -10.036 2.415 1.326 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.785 2.561 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.876 4.405 2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.578 4.784 1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.987 2.330 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.323 2.410 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.771 2.347 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.733 3.848 5.955 1.00 0.00 H new ATOM 720 N ILE A 45 -10.772 4.728 -0.991 1.00 0.00 N ATOM 721 CA ILE A 45 -10.748 5.671 -2.163 1.00 0.00 C ATOM 722 C ILE A 45 -11.106 4.880 -3.429 1.00 0.00 C ATOM 723 O ILE A 45 -12.048 5.208 -4.122 1.00 0.00 O ATOM 724 CB ILE A 45 -9.309 6.225 -2.249 1.00 0.00 C ATOM 725 CG1 ILE A 45 -9.012 7.055 -0.995 1.00 0.00 C ATOM 726 CG2 ILE A 45 -9.147 7.117 -3.490 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.499 7.134 -0.774 1.00 0.00 C ATOM 0 H ILE A 45 -9.874 4.579 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.461 6.489 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.615 5.388 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.426 8.057 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.493 6.604 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.127 7.498 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.355 6.534 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.844 7.953 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.292 7.725 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.097 6.129 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.029 7.605 -1.638 1.00 0.00 H new ATOM 739 N LEU A 46 -10.367 3.835 -3.734 1.00 0.00 N ATOM 740 CA LEU A 46 -10.688 3.029 -4.969 1.00 0.00 C ATOM 741 C LEU A 46 -12.141 2.529 -4.932 1.00 0.00 C ATOM 742 O LEU A 46 -12.789 2.442 -5.959 1.00 0.00 O ATOM 743 CB LEU A 46 -9.718 1.840 -4.986 1.00 0.00 C ATOM 744 CG LEU A 46 -8.475 2.229 -5.781 1.00 0.00 C ATOM 745 CD1 LEU A 46 -7.708 3.320 -5.029 1.00 0.00 C ATOM 746 CD2 LEU A 46 -7.577 1.000 -5.975 1.00 0.00 C ATOM 0 H LEU A 46 -9.567 3.506 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.580 3.639 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.443 1.563 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.196 0.970 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.775 2.608 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.820 3.598 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.347 4.194 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.410 2.946 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.691 1.283 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.276 0.612 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.126 0.230 -6.518 1.00 0.00 H new ATOM 758 N LYS A 47 -12.671 2.229 -3.764 1.00 0.00 N ATOM 759 CA LYS A 47 -14.099 1.770 -3.697 1.00 0.00 C ATOM 760 C LYS A 47 -15.017 2.984 -3.897 1.00 0.00 C ATOM 761 O LYS A 47 -16.070 2.875 -4.495 1.00 0.00 O ATOM 762 CB LYS A 47 -14.309 1.161 -2.302 1.00 0.00 C ATOM 763 CG LYS A 47 -15.703 0.532 -2.222 1.00 0.00 C ATOM 764 CD LYS A 47 -16.683 1.534 -1.607 1.00 0.00 C ATOM 765 CE LYS A 47 -16.720 1.346 -0.088 1.00 0.00 C ATOM 766 NZ LYS A 47 -17.930 2.090 0.360 1.00 0.00 N ATOM 0 H LYS A 47 -12.185 2.281 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.327 1.034 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.547 0.407 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.202 1.931 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.040 0.242 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.669 -0.376 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.379 2.552 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.679 1.389 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.784 0.291 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.818 1.739 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.025 2.009 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.838 3.092 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.773 1.689 -0.098 1.00 0.00 H new ATOM 780 N GLU A 48 -14.624 4.150 -3.405 1.00 0.00 N ATOM 781 CA GLU A 48 -15.492 5.364 -3.587 1.00 0.00 C ATOM 782 C GLU A 48 -15.760 5.605 -5.085 1.00 0.00 C ATOM 783 O GLU A 48 -14.893 5.368 -5.903 1.00 0.00 O ATOM 784 CB GLU A 48 -14.718 6.556 -2.996 1.00 0.00 C ATOM 785 CG GLU A 48 -15.088 6.724 -1.521 1.00 0.00 C ATOM 786 CD GLU A 48 -14.450 8.005 -0.979 1.00 0.00 C ATOM 787 OE1 GLU A 48 -14.938 9.072 -1.310 1.00 0.00 O ATOM 788 OE2 GLU A 48 -13.484 7.896 -0.242 1.00 0.00 O ATOM 0 H GLU A 48 -13.755 4.307 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.454 5.233 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.645 6.392 -3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.955 7.466 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.171 6.769 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.744 5.863 -0.948 1.00 0.00 H new ATOM 795 N PRO A 49 -16.950 6.065 -5.406 1.00 0.00 N ATOM 796 CA PRO A 49 -17.294 6.324 -6.827 1.00 0.00 C ATOM 797 C PRO A 49 -16.576 7.588 -7.334 1.00 0.00 C ATOM 798 O PRO A 49 -16.109 7.625 -8.457 1.00 0.00 O ATOM 799 CB PRO A 49 -18.806 6.534 -6.802 1.00 0.00 C ATOM 800 CG PRO A 49 -19.112 6.989 -5.411 1.00 0.00 C ATOM 801 CD PRO A 49 -18.071 6.383 -4.505 1.00 0.00 C ATOM 0 HA PRO A 49 -16.992 5.515 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.113 7.278 -7.537 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.336 5.612 -7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.090 8.077 -5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.112 6.673 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.769 7.080 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.448 5.490 -4.007 1.00 0.00 H new ATOM 809 N LYS A 50 -16.487 8.622 -6.521 1.00 0.00 N ATOM 810 CA LYS A 50 -15.792 9.878 -6.987 1.00 0.00 C ATOM 811 C LYS A 50 -14.333 9.577 -7.374 1.00 0.00 C ATOM 812 O LYS A 50 -13.810 10.159 -8.307 1.00 0.00 O ATOM 813 CB LYS A 50 -15.829 10.869 -5.811 1.00 0.00 C ATOM 814 CG LYS A 50 -15.479 12.271 -6.314 1.00 0.00 C ATOM 815 CD LYS A 50 -16.669 12.851 -7.082 1.00 0.00 C ATOM 816 CE LYS A 50 -16.161 13.797 -8.172 1.00 0.00 C ATOM 817 NZ LYS A 50 -17.326 13.999 -9.079 1.00 0.00 N ATOM 0 H LYS A 50 -16.858 8.654 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.288 10.289 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.819 10.871 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.123 10.561 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.225 12.917 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.602 12.229 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.255 12.047 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.330 13.386 -6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.822 14.742 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.315 13.366 -8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.056 14.638 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.622 13.083 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.114 14.417 -8.544 1.00 0.00 H new ATOM 831 N MET A 51 -13.668 8.675 -6.676 1.00 0.00 N ATOM 832 CA MET A 51 -12.241 8.360 -7.037 1.00 0.00 C ATOM 833 C MET A 51 -12.181 7.262 -8.113 1.00 0.00 C ATOM 834 O MET A 51 -11.313 7.283 -8.966 1.00 0.00 O ATOM 835 CB MET A 51 -11.562 7.873 -5.751 1.00 0.00 C ATOM 836 CG MET A 51 -11.646 8.949 -4.660 1.00 0.00 C ATOM 837 SD MET A 51 -10.825 10.478 -5.199 1.00 0.00 S ATOM 838 CE MET A 51 -9.237 9.757 -5.687 1.00 0.00 C ATOM 0 H MET A 51 -14.045 8.152 -5.885 1.00 0.00 H new ATOM 0 HA MET A 51 -11.742 9.240 -7.443 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.040 6.957 -5.404 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.518 7.631 -5.952 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.690 9.155 -4.425 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.180 8.583 -3.745 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.510 10.553 -5.849 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.880 9.095 -4.898 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.363 9.188 -6.608 1.00 0.00 H new ATOM 848 N ALA A 52 -13.092 6.302 -8.093 1.00 0.00 N ATOM 849 CA ALA A 52 -13.057 5.212 -9.142 1.00 0.00 C ATOM 850 C ALA A 52 -13.022 5.833 -10.549 1.00 0.00 C ATOM 851 O ALA A 52 -12.344 5.340 -11.431 1.00 0.00 O ATOM 852 CB ALA A 52 -14.343 4.387 -8.964 1.00 0.00 C ATOM 0 H ALA A 52 -13.845 6.226 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.170 4.589 -9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.365 3.584 -9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.365 3.960 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.211 5.032 -9.103 1.00 0.00 H new ATOM 858 N ALA A 53 -13.736 6.921 -10.763 1.00 0.00 N ATOM 859 CA ALA A 53 -13.718 7.570 -12.124 1.00 0.00 C ATOM 860 C ALA A 53 -12.290 8.024 -12.502 1.00 0.00 C ATOM 861 O ALA A 53 -11.990 8.181 -13.669 1.00 0.00 O ATOM 862 CB ALA A 53 -14.651 8.788 -12.046 1.00 0.00 C ATOM 0 H ALA A 53 -14.322 7.382 -10.067 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.046 6.864 -12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.671 9.293 -13.012 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.658 8.459 -11.787 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.287 9.477 -11.284 1.00 0.00 H new ATOM 868 N SER A 54 -11.407 8.247 -11.541 1.00 0.00 N ATOM 869 CA SER A 54 -10.016 8.696 -11.895 1.00 0.00 C ATOM 870 C SER A 54 -9.049 7.500 -11.912 1.00 0.00 C ATOM 871 O SER A 54 -8.268 7.349 -12.833 1.00 0.00 O ATOM 872 CB SER A 54 -9.605 9.693 -10.804 1.00 0.00 C ATOM 873 OG SER A 54 -10.329 10.904 -10.978 1.00 0.00 O ATOM 0 H SER A 54 -11.590 8.138 -10.543 1.00 0.00 H new ATOM 0 HA SER A 54 -9.986 9.148 -12.887 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.806 9.274 -9.818 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.533 9.886 -10.856 1.00 0.00 H new ATOM 0 HG SER A 54 -10.070 11.543 -10.281 1.00 0.00 H new ATOM 879 N LEU A 55 -9.087 6.652 -10.905 1.00 0.00 N ATOM 880 CA LEU A 55 -8.148 5.471 -10.887 1.00 0.00 C ATOM 881 C LEU A 55 -8.403 4.542 -12.091 1.00 0.00 C ATOM 882 O LEU A 55 -7.492 3.892 -12.568 1.00 0.00 O ATOM 883 CB LEU A 55 -8.412 4.719 -9.574 1.00 0.00 C ATOM 884 CG LEU A 55 -8.074 5.630 -8.389 1.00 0.00 C ATOM 885 CD1 LEU A 55 -9.079 5.395 -7.261 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.663 5.313 -7.886 1.00 0.00 C ATOM 0 H LEU A 55 -9.716 6.722 -10.105 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.113 5.805 -10.954 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.456 4.410 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.808 3.812 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.122 6.671 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.838 6.043 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.084 5.621 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.032 4.354 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.423 5.961 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.616 4.272 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.945 5.480 -8.688 1.00 0.00 H new ATOM 898 N LEU A 56 -9.624 4.465 -12.589 1.00 0.00 N ATOM 899 CA LEU A 56 -9.897 3.565 -13.760 1.00 0.00 C ATOM 900 C LEU A 56 -10.029 4.362 -15.082 1.00 0.00 C ATOM 901 O LEU A 56 -10.476 3.823 -16.077 1.00 0.00 O ATOM 902 CB LEU A 56 -11.222 2.861 -13.413 1.00 0.00 C ATOM 903 CG LEU A 56 -11.633 1.907 -14.545 1.00 0.00 C ATOM 904 CD1 LEU A 56 -12.121 0.582 -13.953 1.00 0.00 C ATOM 905 CD2 LEU A 56 -12.763 2.544 -15.367 1.00 0.00 C ATOM 0 H LEU A 56 -10.431 4.981 -12.238 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.080 2.862 -13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.113 2.305 -12.482 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.004 3.603 -13.252 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.773 1.721 -15.188 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.412 -0.092 -14.759 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.320 0.127 -13.371 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.979 0.766 -13.307 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.055 1.867 -16.170 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.621 2.732 -14.722 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.417 3.485 -15.794 1.00 0.00 H new ATOM 917 N ASN A 57 -9.641 5.624 -15.125 1.00 0.00 N ATOM 918 CA ASN A 57 -9.771 6.384 -16.410 1.00 0.00 C ATOM 919 C ASN A 57 -8.410 6.523 -17.105 1.00 0.00 C ATOM 920 O ASN A 57 -7.392 6.614 -16.448 1.00 0.00 O ATOM 921 CB ASN A 57 -10.316 7.767 -16.024 1.00 0.00 C ATOM 922 CG ASN A 57 -11.807 7.855 -16.381 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.223 8.775 -17.058 1.00 0.00 O ATOM 924 ND2 ASN A 57 -12.637 6.934 -15.955 1.00 0.00 N ATOM 0 H ASN A 57 -9.249 6.146 -14.342 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.430 5.869 -17.109 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.177 7.938 -14.956 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.761 8.546 -16.546 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.627 6.991 -16.192 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.292 6.160 -15.387 1.00 0.00 H new ATOM 931 N PRO A 58 -8.433 6.566 -18.426 1.00 0.00 N ATOM 932 CA PRO A 58 -7.179 6.733 -19.196 1.00 0.00 C ATOM 933 C PRO A 58 -6.750 8.222 -19.268 1.00 0.00 C ATOM 934 O PRO A 58 -5.748 8.540 -19.879 1.00 0.00 O ATOM 935 CB PRO A 58 -7.541 6.219 -20.585 1.00 0.00 C ATOM 936 CG PRO A 58 -9.024 6.390 -20.707 1.00 0.00 C ATOM 937 CD PRO A 58 -9.604 6.458 -19.314 1.00 0.00 C ATOM 0 HA PRO A 58 -6.341 6.204 -18.742 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.017 6.780 -21.359 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.257 5.173 -20.702 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.258 7.299 -21.262 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.459 5.558 -21.260 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.266 7.317 -19.202 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.193 5.569 -19.086 1.00 0.00 H new ATOM 945 N TYR A 59 -7.485 9.137 -18.652 1.00 0.00 N ATOM 946 CA TYR A 59 -7.086 10.584 -18.700 1.00 0.00 C ATOM 947 C TYR A 59 -6.170 10.914 -17.506 1.00 0.00 C ATOM 948 O TYR A 59 -5.280 11.738 -17.619 1.00 0.00 O ATOM 949 CB TYR A 59 -8.395 11.392 -18.618 1.00 0.00 C ATOM 950 CG TYR A 59 -9.326 10.975 -19.741 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.254 11.622 -20.980 1.00 0.00 C ATOM 952 CD2 TYR A 59 -10.258 9.943 -19.544 1.00 0.00 C ATOM 953 CE1 TYR A 59 -10.108 11.239 -22.022 1.00 0.00 C ATOM 954 CE2 TYR A 59 -11.110 9.561 -20.585 1.00 0.00 C ATOM 955 CZ TYR A 59 -11.036 10.209 -21.824 1.00 0.00 C ATOM 956 OH TYR A 59 -11.877 9.832 -22.851 1.00 0.00 O ATOM 0 H TYR A 59 -8.335 8.940 -18.124 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.535 10.822 -19.610 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.876 11.226 -17.654 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.180 12.458 -18.688 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.539 12.417 -21.133 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.317 9.444 -18.588 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.051 11.738 -22.978 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.825 8.766 -20.433 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.458 9.103 -22.548 1.00 0.00 H new ATOM 966 N VAL A 60 -6.363 10.273 -16.362 1.00 0.00 N ATOM 967 CA VAL A 60 -5.467 10.570 -15.181 1.00 0.00 C ATOM 968 C VAL A 60 -4.008 10.134 -15.461 1.00 0.00 C ATOM 969 O VAL A 60 -3.102 10.573 -14.780 1.00 0.00 O ATOM 970 CB VAL A 60 -6.037 9.785 -13.984 1.00 0.00 C ATOM 971 CG1 VAL A 60 -5.202 10.072 -12.733 1.00 0.00 C ATOM 972 CG2 VAL A 60 -7.484 10.217 -13.732 1.00 0.00 C ATOM 0 H VAL A 60 -7.086 9.572 -16.198 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.445 11.641 -14.980 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.004 8.719 -14.207 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.608 9.515 -11.889 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.170 9.767 -12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.232 11.139 -12.512 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.887 9.662 -12.885 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.512 11.284 -13.513 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.084 10.013 -14.619 1.00 0.00 H new ATOM 982 N LYS A 61 -3.761 9.277 -16.443 1.00 0.00 N ATOM 983 CA LYS A 61 -2.358 8.832 -16.739 1.00 0.00 C ATOM 984 C LYS A 61 -1.708 8.217 -15.488 1.00 0.00 C ATOM 985 O LYS A 61 -2.320 8.150 -14.439 1.00 0.00 O ATOM 986 CB LYS A 61 -1.598 10.091 -17.182 1.00 0.00 C ATOM 987 CG LYS A 61 -2.267 10.685 -18.425 1.00 0.00 C ATOM 988 CD LYS A 61 -1.566 10.165 -19.683 1.00 0.00 C ATOM 989 CE LYS A 61 -1.567 11.255 -20.757 1.00 0.00 C ATOM 990 NZ LYS A 61 -2.764 10.971 -21.594 1.00 0.00 N ATOM 0 H LYS A 61 -4.476 8.871 -17.047 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.340 8.064 -17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.589 10.825 -16.376 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.559 9.843 -17.399 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.323 10.415 -18.447 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.217 11.773 -18.392 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.543 9.873 -19.447 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.074 9.275 -20.053 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.624 12.248 -20.311 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.654 11.224 -21.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.832 11.678 -22.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.679 10.022 -22.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.619 11.014 -21.003 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.473 7.764 -15.590 1.00 0.00 N ATOM 1005 CA ARG A 62 0.201 7.155 -14.397 1.00 0.00 C ATOM 1006 C ARG A 62 1.145 8.175 -13.747 1.00 0.00 C ATOM 1007 O ARG A 62 1.026 8.466 -12.572 1.00 0.00 O ATOM 1008 CB ARG A 62 0.991 5.953 -14.927 1.00 0.00 C ATOM 1009 CG ARG A 62 1.512 5.124 -13.750 1.00 0.00 C ATOM 1010 CD ARG A 62 1.708 3.672 -14.192 1.00 0.00 C ATOM 1011 NE ARG A 62 3.124 3.597 -14.646 1.00 0.00 N ATOM 1012 CZ ARG A 62 3.429 3.875 -15.883 1.00 0.00 C ATOM 1013 NH1 ARG A 62 2.954 3.143 -16.853 1.00 0.00 N ATOM 1014 NH2 ARG A 62 4.211 4.886 -16.151 1.00 0.00 N ATOM 0 H ARG A 62 0.089 7.791 -16.441 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.520 6.852 -13.638 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.355 5.339 -15.564 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.824 6.294 -15.542 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.455 5.536 -13.391 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.808 5.170 -12.920 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.519 2.980 -13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.021 3.408 -14.996 1.00 0.00 H new ATOM 0 HE ARG A 62 3.856 3.328 -13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.344 2.353 -16.644 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.193 3.361 -17.820 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.583 5.458 -15.393 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.450 5.104 -17.118 1.00 0.00 H new ATOM 1028 N SER A 63 2.082 8.731 -14.496 1.00 0.00 N ATOM 1029 CA SER A 63 3.024 9.746 -13.887 1.00 0.00 C ATOM 1030 C SER A 63 2.219 10.866 -13.205 1.00 0.00 C ATOM 1031 O SER A 63 2.565 11.312 -12.127 1.00 0.00 O ATOM 1032 CB SER A 63 3.860 10.325 -15.038 1.00 0.00 C ATOM 1033 OG SER A 63 5.053 9.564 -15.180 1.00 0.00 O ATOM 0 H SER A 63 2.235 8.532 -15.485 1.00 0.00 H new ATOM 0 HA SER A 63 3.663 9.285 -13.134 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.288 10.303 -15.966 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.102 11.369 -14.838 1.00 0.00 H new ATOM 0 HG SER A 63 5.589 9.929 -15.915 1.00 0.00 H new ATOM 1039 N VAL A 64 1.135 11.308 -13.814 1.00 0.00 N ATOM 1040 CA VAL A 64 0.308 12.386 -13.166 1.00 0.00 C ATOM 1041 C VAL A 64 -0.363 11.815 -11.906 1.00 0.00 C ATOM 1042 O VAL A 64 -0.427 12.474 -10.885 1.00 0.00 O ATOM 1043 CB VAL A 64 -0.752 12.812 -14.196 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.622 13.926 -13.610 1.00 0.00 C ATOM 1045 CG2 VAL A 64 -0.053 13.325 -15.458 1.00 0.00 C ATOM 0 H VAL A 64 0.793 10.975 -14.715 1.00 0.00 H new ATOM 0 HA VAL A 64 0.916 13.241 -12.870 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.380 11.956 -14.445 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.372 14.225 -14.342 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.118 13.564 -12.709 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.996 14.783 -13.360 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.801 13.628 -16.191 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.574 14.180 -15.205 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.566 12.533 -15.878 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.855 10.591 -11.964 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.509 9.995 -10.745 1.00 0.00 C ATOM 1057 C LYS A 65 -0.480 9.866 -9.610 1.00 0.00 C ATOM 1058 O LYS A 65 -0.800 10.093 -8.458 1.00 0.00 O ATOM 1059 CB LYS A 65 -2.026 8.604 -11.151 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.847 8.010 -10.005 1.00 0.00 C ATOM 1061 CD LYS A 65 -4.209 8.702 -9.940 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.687 8.756 -8.488 1.00 0.00 C ATOM 1063 NZ LYS A 65 -6.164 8.930 -8.575 1.00 0.00 N ATOM 0 H LYS A 65 -0.833 9.989 -12.787 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.325 10.624 -10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.638 8.680 -12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.189 7.949 -11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.979 6.938 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.318 8.137 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.136 9.710 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.932 8.163 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.428 7.842 -7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.223 9.583 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.569 8.942 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.380 9.828 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.575 8.142 -9.115 1.00 0.00 H new ATOM 1077 N VAL A 66 0.756 9.509 -9.918 1.00 0.00 N ATOM 1078 CA VAL A 66 1.785 9.382 -8.822 1.00 0.00 C ATOM 1079 C VAL A 66 1.964 10.739 -8.124 1.00 0.00 C ATOM 1080 O VAL A 66 2.063 10.804 -6.912 1.00 0.00 O ATOM 1081 CB VAL A 66 3.101 8.940 -9.488 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.198 8.798 -8.427 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.894 7.589 -10.181 1.00 0.00 C ATOM 0 H VAL A 66 1.090 9.304 -10.860 1.00 0.00 H new ATOM 0 HA VAL A 66 1.476 8.656 -8.070 1.00 0.00 H new ATOM 0 HB VAL A 66 3.400 9.689 -10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.127 8.485 -8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.350 9.756 -7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.898 8.052 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.825 7.276 -10.653 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.592 6.845 -9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.117 7.684 -10.940 1.00 0.00 H new ATOM 1093 N LYS A 67 1.994 11.827 -8.871 1.00 0.00 N ATOM 1094 CA LYS A 67 2.155 13.171 -8.212 1.00 0.00 C ATOM 1095 C LYS A 67 0.908 13.476 -7.369 1.00 0.00 C ATOM 1096 O LYS A 67 1.013 13.974 -6.264 1.00 0.00 O ATOM 1097 CB LYS A 67 2.306 14.208 -9.337 1.00 0.00 C ATOM 1098 CG LYS A 67 3.736 14.170 -9.878 1.00 0.00 C ATOM 1099 CD LYS A 67 3.724 14.476 -11.377 1.00 0.00 C ATOM 1100 CE LYS A 67 5.157 14.460 -11.914 1.00 0.00 C ATOM 1101 NZ LYS A 67 5.011 14.318 -13.390 1.00 0.00 N ATOM 0 H LYS A 67 1.916 11.843 -9.888 1.00 0.00 H new ATOM 0 HA LYS A 67 3.024 13.192 -7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.597 13.997 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.075 15.205 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.354 14.898 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.177 13.189 -9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.119 13.739 -11.904 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.268 15.450 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.686 15.377 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.728 13.633 -11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.952 14.299 -13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.510 13.433 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.469 15.123 -13.764 1.00 0.00 H new ATOM 1115 N SER A 68 -0.272 13.169 -7.873 1.00 0.00 N ATOM 1116 CA SER A 68 -1.517 13.441 -7.068 1.00 0.00 C ATOM 1117 C SER A 68 -1.468 12.650 -5.751 1.00 0.00 C ATOM 1118 O SER A 68 -1.876 13.145 -4.717 1.00 0.00 O ATOM 1119 CB SER A 68 -2.709 12.976 -7.920 1.00 0.00 C ATOM 1120 OG SER A 68 -3.904 13.092 -7.157 1.00 0.00 O ATOM 0 H SER A 68 -0.426 12.750 -8.790 1.00 0.00 H new ATOM 0 HA SER A 68 -1.604 14.499 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.781 13.579 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.564 11.943 -8.236 1.00 0.00 H new ATOM 0 HG SER A 68 -4.667 12.798 -7.697 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.968 11.426 -5.771 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.901 10.633 -4.493 1.00 0.00 C ATOM 1128 C LEU A 69 0.022 11.346 -3.495 1.00 0.00 C ATOM 1129 O LEU A 69 -0.344 11.553 -2.354 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.333 9.251 -4.851 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.468 8.348 -5.332 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -0.895 7.220 -6.189 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.192 7.750 -4.121 1.00 0.00 C ATOM 0 H LEU A 69 -0.611 10.952 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.885 10.536 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.425 9.347 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.155 8.809 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.171 8.933 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.705 6.576 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.379 7.644 -7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.192 6.634 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.002 7.106 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.488 7.165 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.601 8.553 -3.509 1.00 0.00 H new ATOM 1145 N SER A 70 1.212 11.737 -3.914 1.00 0.00 N ATOM 1146 CA SER A 70 2.133 12.453 -2.958 1.00 0.00 C ATOM 1147 C SER A 70 1.468 13.756 -2.488 1.00 0.00 C ATOM 1148 O SER A 70 1.510 14.088 -1.319 1.00 0.00 O ATOM 1149 CB SER A 70 3.425 12.763 -3.730 1.00 0.00 C ATOM 1150 OG SER A 70 4.109 11.548 -4.006 1.00 0.00 O ATOM 0 H SER A 70 1.579 11.595 -4.855 1.00 0.00 H new ATOM 0 HA SER A 70 2.347 11.845 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.191 13.282 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.061 13.427 -3.145 1.00 0.00 H new ATOM 0 HG SER A 70 4.933 11.741 -4.500 1.00 0.00 H new ATOM 1156 N ASP A 71 0.833 14.488 -3.385 1.00 0.00 N ATOM 1157 CA ASP A 71 0.145 15.758 -2.956 1.00 0.00 C ATOM 1158 C ASP A 71 -1.126 15.436 -2.143 1.00 0.00 C ATOM 1159 O ASP A 71 -1.570 16.250 -1.355 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.220 16.522 -4.238 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.404 18.006 -3.914 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.266 18.312 -3.107 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.319 18.810 -4.478 1.00 0.00 O ATOM 0 H ASP A 71 0.762 14.266 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 71 0.797 16.355 -2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.564 16.397 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.136 16.116 -4.667 1.00 0.00 H new ATOM 1168 N MET A 72 -1.696 14.250 -2.287 1.00 0.00 N ATOM 1169 CA MET A 72 -2.906 13.903 -1.470 1.00 0.00 C ATOM 1170 C MET A 72 -2.405 13.339 -0.139 1.00 0.00 C ATOM 1171 O MET A 72 -2.891 13.695 0.918 1.00 0.00 O ATOM 1172 CB MET A 72 -3.685 12.840 -2.259 1.00 0.00 C ATOM 1173 CG MET A 72 -5.017 12.561 -1.561 1.00 0.00 C ATOM 1174 SD MET A 72 -5.726 11.024 -2.205 1.00 0.00 S ATOM 1175 CE MET A 72 -4.518 9.894 -1.470 1.00 0.00 C ATOM 0 H MET A 72 -1.377 13.522 -2.926 1.00 0.00 H new ATOM 0 HA MET A 72 -3.553 14.759 -1.276 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.861 13.185 -3.278 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.100 11.923 -2.330 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.866 12.481 -0.484 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.706 13.389 -1.726 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.916 8.879 -1.479 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.593 9.926 -2.046 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.316 10.196 -0.442 1.00 0.00 H new ATOM 1185 N THR A 73 -1.395 12.485 -0.182 1.00 0.00 N ATOM 1186 CA THR A 73 -0.819 11.928 1.090 1.00 0.00 C ATOM 1187 C THR A 73 -0.419 13.105 2.017 1.00 0.00 C ATOM 1188 O THR A 73 -0.586 13.029 3.220 1.00 0.00 O ATOM 1189 CB THR A 73 0.404 11.078 0.643 1.00 0.00 C ATOM 1190 OG1 THR A 73 -0.040 9.775 0.295 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.450 10.967 1.751 1.00 0.00 C ATOM 0 H THR A 73 -0.951 12.155 -1.039 1.00 0.00 H new ATOM 0 HA THR A 73 -1.518 11.312 1.656 1.00 0.00 H new ATOM 0 HB THR A 73 0.866 11.572 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.726 9.233 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.289 10.366 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.804 11.963 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.005 10.493 2.626 1.00 0.00 H new ATOM 1199 N ALA A 74 0.092 14.198 1.465 1.00 0.00 N ATOM 1200 CA ALA A 74 0.470 15.367 2.344 1.00 0.00 C ATOM 1201 C ALA A 74 -0.764 15.834 3.137 1.00 0.00 C ATOM 1202 O ALA A 74 -0.671 16.141 4.310 1.00 0.00 O ATOM 1203 CB ALA A 74 0.957 16.488 1.412 1.00 0.00 C ATOM 0 H ALA A 74 0.259 14.327 0.467 1.00 0.00 H new ATOM 0 HA ALA A 74 1.248 15.093 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.242 17.357 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.818 16.139 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.156 16.764 0.726 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.926 15.868 2.509 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.164 16.291 3.251 1.00 0.00 C ATOM 1211 C LYS A 75 -3.740 15.091 4.027 1.00 0.00 C ATOM 1212 O LYS A 75 -4.266 15.252 5.112 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.166 16.775 2.191 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.340 17.474 2.880 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.402 17.834 1.840 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.556 18.573 2.521 1.00 0.00 C ATOM 1217 NZ LYS A 75 -8.361 19.142 1.405 1.00 0.00 N ATOM 0 H LYS A 75 -2.067 15.624 1.529 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.949 17.081 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.677 17.460 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.526 15.931 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.768 16.823 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.994 18.374 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.966 18.459 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.771 16.931 1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.152 17.896 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.187 19.358 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.172 19.664 1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.769 19.788 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.705 18.372 0.797 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.634 13.885 3.492 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.171 12.687 4.235 1.00 0.00 C ATOM 1233 C GLU A 76 -3.361 12.407 5.520 1.00 0.00 C ATOM 1234 O GLU A 76 -3.807 11.659 6.367 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.062 11.490 3.277 1.00 0.00 C ATOM 1236 CG GLU A 76 -4.894 10.325 3.818 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.381 10.668 3.714 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.762 11.273 2.725 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.114 10.320 4.625 1.00 0.00 O ATOM 0 H GLU A 76 -3.206 13.682 2.589 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.201 12.867 4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.414 11.772 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.020 11.188 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.679 9.418 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.628 10.125 4.856 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.173 12.980 5.681 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.360 12.721 6.912 1.00 0.00 C ATOM 1248 C LYS A 77 -1.091 11.218 7.057 1.00 0.00 C ATOM 1249 O LYS A 77 -1.264 10.653 8.121 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.183 13.247 8.099 1.00 0.00 C ATOM 1251 CG LYS A 77 -2.491 14.732 7.893 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.708 15.400 9.252 1.00 0.00 C ATOM 1253 CE LYS A 77 -3.212 16.830 9.045 1.00 0.00 C ATOM 1254 NZ LYS A 77 -3.548 17.321 10.410 1.00 0.00 N ATOM 0 H LYS A 77 -1.742 13.613 5.008 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.392 13.219 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.111 12.682 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.631 13.105 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.669 15.215 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.380 14.848 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.429 14.830 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.776 15.410 9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.450 17.453 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.085 16.850 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.901 18.297 10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.281 16.712 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.697 17.297 11.007 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.664 10.562 5.993 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.378 9.080 6.089 1.00 0.00 C ATOM 1270 C PHE A 78 0.650 8.813 7.201 1.00 0.00 C ATOM 1271 O PHE A 78 1.018 9.711 7.935 1.00 0.00 O ATOM 1272 CB PHE A 78 0.167 8.630 4.716 1.00 0.00 C ATOM 1273 CG PHE A 78 -0.957 7.985 3.935 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.645 6.899 4.487 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.327 8.481 2.678 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.703 6.308 3.786 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.382 7.886 1.974 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.070 6.800 2.530 1.00 0.00 C ATOM 0 H PHE A 78 -0.503 10.979 5.076 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.281 8.522 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.565 9.485 4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.988 7.925 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.359 6.516 5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.799 9.321 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.235 5.472 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.665 8.265 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.884 6.342 1.988 1.00 0.00 H new ATOM 1288 N SER A 79 1.114 7.591 7.340 1.00 0.00 N ATOM 1289 CA SER A 79 2.100 7.288 8.410 1.00 0.00 C ATOM 1290 C SER A 79 3.480 7.102 7.783 1.00 0.00 C ATOM 1291 O SER A 79 3.625 7.258 6.585 1.00 0.00 O ATOM 1292 CB SER A 79 1.616 5.986 9.070 1.00 0.00 C ATOM 1293 OG SER A 79 0.414 5.544 8.455 1.00 0.00 O ATOM 0 H SER A 79 0.849 6.798 6.757 1.00 0.00 H new ATOM 0 HA SER A 79 2.178 8.089 9.145 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.383 5.217 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.450 6.149 10.135 1.00 0.00 H new ATOM 0 HG SER A 79 0.031 4.808 8.977 1.00 0.00 H new ATOM 1299 N PRO A 80 4.459 6.764 8.592 1.00 0.00 N ATOM 1300 CA PRO A 80 5.815 6.554 8.045 1.00 0.00 C ATOM 1301 C PRO A 80 5.896 5.271 7.193 1.00 0.00 C ATOM 1302 O PRO A 80 6.863 5.077 6.480 1.00 0.00 O ATOM 1303 CB PRO A 80 6.695 6.459 9.280 1.00 0.00 C ATOM 1304 CG PRO A 80 5.787 6.016 10.377 1.00 0.00 C ATOM 1305 CD PRO A 80 4.419 6.547 10.053 1.00 0.00 C ATOM 0 HA PRO A 80 6.120 7.356 7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.507 5.748 9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.152 7.421 9.512 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.772 4.929 10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.130 6.395 11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.639 5.838 10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.213 7.473 10.589 1.00 0.00 H new ATOM 1313 N LEU A 81 4.895 4.404 7.226 1.00 0.00 N ATOM 1314 CA LEU A 81 4.955 3.181 6.381 1.00 0.00 C ATOM 1315 C LEU A 81 3.868 3.223 5.299 1.00 0.00 C ATOM 1316 O LEU A 81 3.531 2.197 4.736 1.00 0.00 O ATOM 1317 CB LEU A 81 4.694 2.018 7.336 1.00 0.00 C ATOM 1318 CG LEU A 81 6.034 1.438 7.809 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.948 1.083 9.293 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.363 0.178 7.004 1.00 0.00 C ATOM 0 H LEU A 81 4.056 4.500 7.798 1.00 0.00 H new ATOM 0 HA LEU A 81 5.914 3.089 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.110 2.359 8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.107 1.247 6.836 1.00 0.00 H new ATOM 0 HG LEU A 81 6.817 2.181 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.901 0.672 9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.720 1.980 9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.161 0.344 9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.315 -0.232 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.577 -0.563 7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.432 0.430 5.946 1.00 0.00 H new ATOM 1332 N THR A 82 3.300 4.382 5.000 1.00 0.00 N ATOM 1333 CA THR A 82 2.237 4.423 3.963 1.00 0.00 C ATOM 1334 C THR A 82 2.503 5.482 2.870 1.00 0.00 C ATOM 1335 O THR A 82 1.636 5.744 2.058 1.00 0.00 O ATOM 1336 CB THR A 82 0.947 4.717 4.736 1.00 0.00 C ATOM 1337 OG1 THR A 82 1.085 4.234 6.067 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.214 3.988 4.052 1.00 0.00 C ATOM 0 H THR A 82 3.531 5.278 5.429 1.00 0.00 H new ATOM 0 HA THR A 82 2.186 3.482 3.415 1.00 0.00 H new ATOM 0 HB THR A 82 0.754 5.790 4.752 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.695 4.881 6.692 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.139 4.189 4.593 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.310 4.340 3.025 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.020 2.915 4.051 1.00 0.00 H new ATOM 1346 N SER A 83 3.694 6.055 2.791 1.00 0.00 N ATOM 1347 CA SER A 83 3.974 7.028 1.694 1.00 0.00 C ATOM 1348 C SER A 83 5.098 6.457 0.808 1.00 0.00 C ATOM 1349 O SER A 83 5.944 7.169 0.306 1.00 0.00 O ATOM 1350 CB SER A 83 4.403 8.325 2.379 1.00 0.00 C ATOM 1351 OG SER A 83 4.848 9.251 1.397 1.00 0.00 O ATOM 0 H SER A 83 4.468 5.887 3.434 1.00 0.00 H new ATOM 0 HA SER A 83 3.110 7.210 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.569 8.746 2.941 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.201 8.125 3.095 1.00 0.00 H new ATOM 0 HG SER A 83 5.386 8.782 0.725 1.00 0.00 H new ATOM 1357 N ASN A 84 5.072 5.160 0.604 1.00 0.00 N ATOM 1358 CA ASN A 84 6.082 4.470 -0.258 1.00 0.00 C ATOM 1359 C ASN A 84 5.322 3.351 -0.970 1.00 0.00 C ATOM 1360 O ASN A 84 5.161 3.365 -2.176 1.00 0.00 O ATOM 1361 CB ASN A 84 7.135 3.910 0.700 1.00 0.00 C ATOM 1362 CG ASN A 84 8.536 4.161 0.125 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.716 4.153 -1.076 1.00 0.00 O ATOM 1364 ND2 ASN A 84 9.544 4.384 0.933 1.00 0.00 N ATOM 0 H ASN A 84 4.374 4.537 1.010 1.00 0.00 H new ATOM 0 HA ASN A 84 6.567 5.109 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.041 4.384 1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.977 2.842 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.476 4.550 0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.397 4.391 1.942 1.00 0.00 H new ATOM 1371 N LEU A 85 4.757 2.427 -0.203 1.00 0.00 N ATOM 1372 CA LEU A 85 3.898 1.371 -0.826 1.00 0.00 C ATOM 1373 C LEU A 85 2.762 2.075 -1.614 1.00 0.00 C ATOM 1374 O LEU A 85 2.271 1.544 -2.592 1.00 0.00 O ATOM 1375 CB LEU A 85 3.320 0.530 0.340 1.00 0.00 C ATOM 1376 CG LEU A 85 2.293 -0.478 -0.188 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.982 -1.469 -1.128 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.672 -1.240 0.986 1.00 0.00 C ATOM 0 H LEU A 85 4.857 2.367 0.810 1.00 0.00 H new ATOM 0 HA LEU A 85 4.451 0.730 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.126 0.004 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.851 1.186 1.073 1.00 0.00 H new ATOM 0 HG LEU A 85 1.512 0.055 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.250 -2.185 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.423 -0.929 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.765 -2.000 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.942 -1.956 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.454 -1.770 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.178 -0.536 1.656 1.00 0.00 H new ATOM 1390 N ILE A 86 2.349 3.281 -1.207 1.00 0.00 N ATOM 1391 CA ILE A 86 1.263 3.984 -1.974 1.00 0.00 C ATOM 1392 C ILE A 86 1.711 4.202 -3.432 1.00 0.00 C ATOM 1393 O ILE A 86 0.917 4.074 -4.346 1.00 0.00 O ATOM 1394 CB ILE A 86 0.997 5.331 -1.260 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.228 6.008 -1.889 1.00 0.00 C ATOM 1396 CG2 ILE A 86 2.210 6.264 -1.385 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.080 6.644 -0.790 1.00 0.00 C ATOM 0 H ILE A 86 2.714 3.785 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 86 0.348 3.392 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 86 0.816 5.133 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.090 6.768 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.817 5.277 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.000 7.204 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.081 5.792 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.412 6.459 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.950 7.125 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.409 5.873 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.489 7.388 -0.256 1.00 0.00 H new ATOM 1409 N ASN A 87 2.975 4.513 -3.662 1.00 0.00 N ATOM 1410 CA ASN A 87 3.438 4.709 -5.079 1.00 0.00 C ATOM 1411 C ASN A 87 3.379 3.360 -5.807 1.00 0.00 C ATOM 1412 O ASN A 87 2.843 3.262 -6.894 1.00 0.00 O ATOM 1413 CB ASN A 87 4.886 5.221 -5.014 1.00 0.00 C ATOM 1414 CG ASN A 87 4.883 6.725 -4.714 1.00 0.00 C ATOM 1415 OD1 ASN A 87 4.204 7.170 -3.811 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.617 7.538 -5.435 1.00 0.00 N ATOM 0 H ASN A 87 3.690 4.637 -2.945 1.00 0.00 H new ATOM 0 HA ASN A 87 2.811 5.421 -5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.438 4.686 -4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.394 5.029 -5.959 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.616 8.538 -5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.189 7.170 -6.195 1.00 0.00 H new ATOM 1423 N LEU A 88 3.911 2.308 -5.207 1.00 0.00 N ATOM 1424 CA LEU A 88 3.866 0.951 -5.872 1.00 0.00 C ATOM 1425 C LEU A 88 2.425 0.621 -6.293 1.00 0.00 C ATOM 1426 O LEU A 88 2.196 0.102 -7.369 1.00 0.00 O ATOM 1427 CB LEU A 88 4.350 -0.073 -4.831 1.00 0.00 C ATOM 1428 CG LEU A 88 5.837 -0.360 -5.044 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.488 -0.704 -3.703 1.00 0.00 C ATOM 1430 CD2 LEU A 88 5.995 -1.541 -6.004 1.00 0.00 C ATOM 0 H LEU A 88 4.369 2.329 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 88 4.493 0.933 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.184 0.311 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.775 -0.995 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 88 6.320 0.521 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.548 -0.909 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.375 0.136 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.005 -1.585 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.054 -1.747 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.512 -2.421 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.531 -1.297 -6.960 1.00 0.00 H new ATOM 1442 N LEU A 89 1.449 0.936 -5.461 1.00 0.00 N ATOM 1443 CA LEU A 89 0.024 0.647 -5.852 1.00 0.00 C ATOM 1444 C LEU A 89 -0.324 1.439 -7.120 1.00 0.00 C ATOM 1445 O LEU A 89 -1.001 0.939 -7.999 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.860 1.096 -4.679 1.00 0.00 C ATOM 1447 CG LEU A 89 -1.010 -0.060 -3.693 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.678 0.443 -2.409 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.874 -1.149 -4.329 1.00 0.00 C ATOM 0 H LEU A 89 1.574 1.372 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.129 -0.412 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.415 1.958 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.839 1.408 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.028 -0.466 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.784 -0.383 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.063 1.224 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.662 0.847 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.986 -1.979 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.856 -0.741 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.397 -1.505 -5.242 1.00 0.00 H new ATOM 1461 N ALA A 90 0.155 2.661 -7.239 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.131 3.455 -8.470 1.00 0.00 C ATOM 1463 C ALA A 90 1.140 3.568 -9.333 1.00 0.00 C ATOM 1464 O ALA A 90 1.320 4.542 -10.039 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.565 4.835 -7.970 1.00 0.00 C ATOM 0 H ALA A 90 0.727 3.134 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.899 2.991 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.792 5.476 -8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.453 4.733 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.240 5.280 -7.386 1.00 0.00 H new ATOM 1471 N GLU A 91 2.026 2.584 -9.290 1.00 0.00 N ATOM 1472 CA GLU A 91 3.272 2.669 -10.124 1.00 0.00 C ATOM 1473 C GLU A 91 3.157 1.758 -11.358 1.00 0.00 C ATOM 1474 O GLU A 91 3.449 2.177 -12.462 1.00 0.00 O ATOM 1475 CB GLU A 91 4.418 2.201 -9.216 1.00 0.00 C ATOM 1476 CG GLU A 91 5.745 2.289 -9.974 1.00 0.00 C ATOM 1477 CD GLU A 91 6.891 2.482 -8.977 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.961 3.546 -8.384 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.678 1.562 -8.825 1.00 0.00 O ATOM 0 H GLU A 91 1.937 1.742 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 91 3.440 3.682 -10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.459 2.818 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.241 1.176 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.904 1.381 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.719 3.120 -10.679 1.00 0.00 H new ATOM 1486 N ASN A 92 2.742 0.517 -11.187 1.00 0.00 N ATOM 1487 CA ASN A 92 2.625 -0.394 -12.370 1.00 0.00 C ATOM 1488 C ASN A 92 1.159 -0.784 -12.638 1.00 0.00 C ATOM 1489 O ASN A 92 0.893 -1.852 -13.155 1.00 0.00 O ATOM 1490 CB ASN A 92 3.444 -1.632 -11.998 1.00 0.00 C ATOM 1491 CG ASN A 92 4.925 -1.378 -12.308 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.297 -1.239 -13.456 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.796 -1.310 -11.330 1.00 0.00 N ATOM 0 H ASN A 92 2.484 0.105 -10.290 1.00 0.00 H new ATOM 0 HA ASN A 92 2.983 0.087 -13.280 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.317 -1.861 -10.940 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.088 -2.498 -12.556 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.781 -1.141 -11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.489 -1.426 -10.364 1.00 0.00 H new ATOM 1500 N GLY A 93 0.203 0.062 -12.297 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.223 -0.287 -12.546 1.00 0.00 C ATOM 1502 C GLY A 93 -1.687 -1.282 -11.481 1.00 0.00 C ATOM 1503 O GLY A 93 -2.318 -2.274 -11.792 1.00 0.00 O ATOM 0 H GLY A 93 0.358 0.971 -11.860 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.841 0.611 -12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.336 -0.720 -13.540 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.382 -1.028 -10.223 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.818 -1.978 -9.155 1.00 0.00 C ATOM 1509 C ARG A 94 -3.030 -1.419 -8.389 1.00 0.00 C ATOM 1510 O ARG A 94 -3.184 -1.674 -7.209 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.614 -2.142 -8.222 1.00 0.00 C ATOM 1512 CG ARG A 94 0.536 -2.807 -8.982 1.00 0.00 C ATOM 1513 CD ARG A 94 0.243 -4.300 -9.151 1.00 0.00 C ATOM 1514 NE ARG A 94 1.066 -4.723 -10.318 1.00 0.00 N ATOM 1515 CZ ARG A 94 0.486 -5.170 -11.399 1.00 0.00 C ATOM 1516 NH1 ARG A 94 -0.520 -4.519 -11.916 1.00 0.00 N ATOM 1517 NH2 ARG A 94 0.912 -6.267 -11.962 1.00 0.00 N ATOM 0 H ARG A 94 -0.858 -0.215 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.129 -2.934 -9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.299 -1.170 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.890 -2.746 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.660 -2.338 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.472 -2.669 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.512 -4.859 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.817 -4.477 -9.331 1.00 0.00 H new ATOM 0 HE ARG A 94 2.083 -4.663 -10.273 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.853 -3.661 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.973 -4.868 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.698 -6.776 -11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.459 -6.616 -12.806 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.908 -0.682 -9.047 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.114 -0.150 -8.336 1.00 0.00 C ATOM 1533 C LEU A 95 -6.368 -0.932 -8.774 1.00 0.00 C ATOM 1534 O LEU A 95 -7.464 -0.405 -8.783 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.210 1.327 -8.734 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.084 2.112 -8.058 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.886 3.449 -8.776 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.447 2.372 -6.592 1.00 0.00 C ATOM 0 H LEU A 95 -3.838 -0.432 -10.033 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.039 -0.257 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.139 1.428 -9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.178 1.732 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.162 1.532 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.084 4.006 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.625 3.267 -9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.809 4.027 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.644 2.931 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.371 2.949 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.585 1.421 -6.077 1.00 0.00 H new ATOM 1550 N THR A 96 -6.215 -2.198 -9.105 1.00 0.00 N ATOM 1551 CA THR A 96 -7.388 -3.033 -9.501 1.00 0.00 C ATOM 1552 C THR A 96 -7.605 -4.073 -8.397 1.00 0.00 C ATOM 1553 O THR A 96 -8.674 -4.165 -7.824 1.00 0.00 O ATOM 1554 CB THR A 96 -6.993 -3.704 -10.819 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.832 -4.497 -10.616 1.00 0.00 O ATOM 1556 CG2 THR A 96 -6.704 -2.632 -11.871 1.00 0.00 C ATOM 0 H THR A 96 -5.319 -2.686 -9.116 1.00 0.00 H new ATOM 0 HA THR A 96 -8.309 -2.463 -9.628 1.00 0.00 H new ATOM 0 HB THR A 96 -7.810 -4.338 -11.164 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.097 -5.419 -10.416 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.423 -3.110 -12.809 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.596 -2.025 -12.026 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.887 -1.997 -11.528 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.575 -4.830 -8.060 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.703 -5.824 -6.957 1.00 0.00 C ATOM 1566 C ASN A 97 -6.023 -5.271 -5.687 1.00 0.00 C ATOM 1567 O ASN A 97 -5.451 -6.020 -4.918 1.00 0.00 O ATOM 1568 CB ASN A 97 -5.974 -7.080 -7.448 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.683 -7.632 -8.691 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -6.173 -7.422 -9.881 1.00 0.00 O flip ATOM 1571 ND2 ASN A 97 -7.715 -8.263 -8.580 1.00 0.00 N flip ATOM 0 H ASN A 97 -5.658 -4.795 -8.506 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.743 -6.038 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.937 -6.842 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.957 -7.834 -6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.115 -8.428 -7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.182 -8.627 -9.410 1.00 0.00 H new ATOM 1578 N THR A 98 -6.076 -3.960 -5.455 1.00 0.00 N ATOM 1579 CA THR A 98 -5.420 -3.401 -4.224 1.00 0.00 C ATOM 1580 C THR A 98 -6.045 -3.932 -2.906 1.00 0.00 C ATOM 1581 O THR A 98 -5.310 -4.112 -1.953 1.00 0.00 O ATOM 1582 CB THR A 98 -5.503 -1.859 -4.312 1.00 0.00 C ATOM 1583 OG1 THR A 98 -4.643 -1.290 -3.336 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.933 -1.366 -4.068 1.00 0.00 C ATOM 0 H THR A 98 -6.536 -3.276 -6.056 1.00 0.00 H new ATOM 0 HA THR A 98 -4.381 -3.730 -4.193 1.00 0.00 H new ATOM 0 HB THR A 98 -5.199 -1.555 -5.314 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.690 -0.313 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.960 -0.278 -4.136 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.598 -1.793 -4.819 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.260 -1.675 -3.075 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.355 -4.174 -2.845 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.935 -4.683 -1.569 1.00 0.00 C ATOM 1594 C PRO A 99 -7.340 -6.057 -1.227 1.00 0.00 C ATOM 1595 O PRO A 99 -7.056 -6.336 -0.076 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.436 -4.761 -1.848 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.533 -4.869 -3.330 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.408 -4.032 -3.877 1.00 0.00 C ATOM 0 HA PRO A 99 -7.719 -4.047 -0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.887 -5.623 -1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.955 -3.876 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.442 -5.906 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.498 -4.508 -3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.072 -4.393 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.706 -2.992 -4.009 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.120 -6.911 -2.208 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.505 -8.255 -1.899 1.00 0.00 C ATOM 1608 C ALA A 100 -5.125 -8.053 -1.240 1.00 0.00 C ATOM 1609 O ALA A 100 -4.738 -8.809 -0.369 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.349 -8.995 -3.237 1.00 0.00 C ATOM 0 H ALA A 100 -7.334 -6.742 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.129 -8.827 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.906 -9.975 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.327 -9.117 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.702 -8.418 -3.898 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.384 -7.030 -1.636 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.036 -6.794 -1.003 1.00 0.00 C ATOM 1618 C VAL A 101 -3.214 -6.405 0.478 1.00 0.00 C ATOM 1619 O VAL A 101 -2.422 -6.791 1.317 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.373 -5.636 -1.775 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -0.979 -5.363 -1.201 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.250 -6.008 -3.258 1.00 0.00 C ATOM 0 H VAL A 101 -4.650 -6.360 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.421 -7.693 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.987 -4.741 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.514 -4.544 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.065 -5.092 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.365 -6.258 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.781 -5.188 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.640 -6.906 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.242 -6.196 -3.670 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.245 -5.647 0.807 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.446 -5.251 2.246 1.00 0.00 C ATOM 1634 C ILE A 102 -5.030 -6.430 3.050 1.00 0.00 C ATOM 1635 O ILE A 102 -4.710 -6.601 4.211 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.427 -4.063 2.245 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -4.829 -2.908 1.436 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.675 -3.592 3.681 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -5.935 -1.917 1.069 1.00 0.00 C ATOM 0 H ILE A 102 -4.943 -5.292 0.154 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.500 -4.976 2.712 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.370 -4.379 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.054 -2.406 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.354 -3.290 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.369 -2.752 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.100 -4.409 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.732 -3.279 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.510 -1.095 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.694 -2.423 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.390 -1.526 1.979 1.00 0.00 H new ATOM 1651 N SER A 103 -5.882 -7.248 2.452 1.00 0.00 N ATOM 1652 CA SER A 103 -6.464 -8.411 3.222 1.00 0.00 C ATOM 1653 C SER A 103 -5.328 -9.300 3.748 1.00 0.00 C ATOM 1654 O SER A 103 -5.321 -9.680 4.904 1.00 0.00 O ATOM 1655 CB SER A 103 -7.345 -9.201 2.242 1.00 0.00 C ATOM 1656 OG SER A 103 -8.283 -9.978 2.976 1.00 0.00 O ATOM 0 H SER A 103 -6.194 -7.164 1.485 1.00 0.00 H new ATOM 0 HA SER A 103 -7.049 -8.068 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.867 -8.518 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.727 -9.848 1.620 1.00 0.00 H new ATOM 0 HG SER A 103 -8.848 -10.482 2.354 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.353 -9.617 2.917 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.206 -10.467 3.407 1.00 0.00 C ATOM 1664 C ALA A 104 -2.526 -9.781 4.610 1.00 0.00 C ATOM 1665 O ALA A 104 -2.053 -10.443 5.515 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.212 -10.587 2.238 1.00 0.00 C ATOM 0 H ALA A 104 -4.300 -9.331 1.939 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.551 -11.450 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.361 -11.195 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.706 -11.056 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.864 -9.594 1.953 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.481 -8.459 4.635 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.836 -7.747 5.797 1.00 0.00 C ATOM 1674 C PHE A 105 -2.519 -8.159 7.107 1.00 0.00 C ATOM 1675 O PHE A 105 -1.860 -8.448 8.088 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.050 -6.242 5.552 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.072 -5.436 6.372 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.112 -5.482 7.771 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.124 -4.633 5.729 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.211 -4.727 8.519 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.778 -3.879 6.481 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.732 -3.927 7.876 1.00 0.00 C ATOM 0 H PHE A 105 -2.859 -7.850 3.909 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.777 -7.994 5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.921 -6.016 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.071 -5.965 5.815 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.841 -6.103 8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.090 -4.597 4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.243 -4.762 9.598 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.510 -3.259 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.429 -3.343 8.458 1.00 0.00 H new ATOM 1692 N SER A 106 -3.837 -8.185 7.135 1.00 0.00 N ATOM 1693 CA SER A 106 -4.541 -8.580 8.406 1.00 0.00 C ATOM 1694 C SER A 106 -4.252 -10.051 8.736 1.00 0.00 C ATOM 1695 O SER A 106 -4.094 -10.404 9.890 1.00 0.00 O ATOM 1696 CB SER A 106 -6.044 -8.372 8.169 1.00 0.00 C ATOM 1697 OG SER A 106 -6.779 -9.113 9.135 1.00 0.00 O ATOM 0 H SER A 106 -4.445 -7.955 6.349 1.00 0.00 H new ATOM 0 HA SER A 106 -4.195 -7.979 9.247 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.292 -7.313 8.240 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.314 -8.695 7.164 1.00 0.00 H new ATOM 0 HG SER A 106 -7.739 -8.981 8.987 1.00 0.00 H new ATOM 1703 N THR A 107 -4.174 -10.914 7.742 1.00 0.00 N ATOM 1704 CA THR A 107 -3.884 -12.359 8.042 1.00 0.00 C ATOM 1705 C THR A 107 -2.402 -12.535 8.390 1.00 0.00 C ATOM 1706 O THR A 107 -2.068 -13.319 9.260 1.00 0.00 O ATOM 1707 CB THR A 107 -4.244 -13.161 6.781 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.163 -12.416 5.996 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.877 -14.493 7.186 1.00 0.00 C ATOM 0 H THR A 107 -4.296 -10.686 6.755 1.00 0.00 H new ATOM 0 HA THR A 107 -4.465 -12.708 8.895 1.00 0.00 H new ATOM 0 HB THR A 107 -3.342 -13.352 6.200 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.393 -12.925 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.132 -15.061 6.292 1.00 0.00 H new ATOM 0 HG22 THR A 107 -4.170 -15.063 7.789 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.780 -14.305 7.766 1.00 0.00 H new ATOM 1717 N MET A 108 -1.506 -11.805 7.750 1.00 0.00 N ATOM 1718 CA MET A 108 -0.060 -11.954 8.114 1.00 0.00 C ATOM 1719 C MET A 108 0.201 -11.237 9.447 1.00 0.00 C ATOM 1720 O MET A 108 1.016 -11.678 10.235 1.00 0.00 O ATOM 1721 CB MET A 108 0.764 -11.336 6.977 1.00 0.00 C ATOM 1722 CG MET A 108 1.077 -12.421 5.943 1.00 0.00 C ATOM 1723 SD MET A 108 2.256 -13.603 6.648 1.00 0.00 S ATOM 1724 CE MET A 108 1.668 -15.070 5.768 1.00 0.00 C ATOM 0 H MET A 108 -1.710 -11.131 7.012 1.00 0.00 H new ATOM 0 HA MET A 108 0.218 -13.000 8.239 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.211 -10.520 6.511 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.688 -10.912 7.369 1.00 0.00 H new ATOM 0 HG2 MET A 108 0.161 -12.935 5.650 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.492 -11.971 5.041 1.00 0.00 H new ATOM 0 HE1 MET A 108 2.267 -15.933 6.059 1.00 0.00 H new ATOM 0 HE2 MET A 108 0.623 -15.252 6.021 1.00 0.00 H new ATOM 0 HE3 MET A 108 1.759 -14.911 4.694 1.00 0.00 H new ATOM 1734 N MET A 109 -0.505 -10.149 9.732 1.00 0.00 N ATOM 1735 CA MET A 109 -0.291 -9.453 11.052 1.00 0.00 C ATOM 1736 C MET A 109 -0.566 -10.448 12.192 1.00 0.00 C ATOM 1737 O MET A 109 0.148 -10.474 13.170 1.00 0.00 O ATOM 1738 CB MET A 109 -1.292 -8.283 11.107 1.00 0.00 C ATOM 1739 CG MET A 109 -1.148 -7.536 12.436 1.00 0.00 C ATOM 1740 SD MET A 109 -2.132 -6.017 12.384 1.00 0.00 S ATOM 1741 CE MET A 109 -3.150 -6.355 13.841 1.00 0.00 C ATOM 0 H MET A 109 -1.203 -9.725 9.120 1.00 0.00 H new ATOM 0 HA MET A 109 0.730 -9.086 11.156 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.114 -7.601 10.275 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.310 -8.658 10.999 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.480 -8.169 13.259 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.100 -7.297 12.620 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.844 -5.530 13.999 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.711 -7.277 13.687 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.509 -6.463 14.716 1.00 0.00 H new ATOM 1751 N SER A 110 -1.576 -11.292 12.076 1.00 0.00 N ATOM 1752 CA SER A 110 -1.830 -12.284 13.190 1.00 0.00 C ATOM 1753 C SER A 110 -0.571 -13.135 13.448 1.00 0.00 C ATOM 1754 O SER A 110 -0.321 -13.538 14.569 1.00 0.00 O ATOM 1755 CB SER A 110 -2.993 -13.178 12.736 1.00 0.00 C ATOM 1756 OG SER A 110 -4.209 -12.447 12.828 1.00 0.00 O ATOM 0 H SER A 110 -2.218 -11.340 11.285 1.00 0.00 H new ATOM 0 HA SER A 110 -2.074 -11.769 14.119 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.832 -13.512 11.711 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.044 -14.072 13.358 1.00 0.00 H new ATOM 0 HG SER A 110 -4.954 -13.013 12.537 1.00 0.00 H new ATOM 1762 N VAL A 111 0.235 -13.400 12.435 1.00 0.00 N ATOM 1763 CA VAL A 111 1.482 -14.211 12.672 1.00 0.00 C ATOM 1764 C VAL A 111 2.602 -13.347 13.297 1.00 0.00 C ATOM 1765 O VAL A 111 3.597 -13.881 13.752 1.00 0.00 O ATOM 1766 CB VAL A 111 1.920 -14.753 11.300 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.165 -15.629 11.464 1.00 0.00 C ATOM 1768 CG2 VAL A 111 0.791 -15.592 10.696 1.00 0.00 C ATOM 0 H VAL A 111 0.086 -13.096 11.473 1.00 0.00 H new ATOM 0 HA VAL A 111 1.285 -15.022 13.374 1.00 0.00 H new ATOM 0 HB VAL A 111 2.148 -13.915 10.641 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.472 -16.011 10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.973 -15.036 11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.937 -16.464 12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.102 -15.975 9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.563 -16.426 11.359 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.097 -14.972 10.574 1.00 0.00 H new ATOM 1778 N HIS A 112 2.461 -12.030 13.348 1.00 0.00 N ATOM 1779 CA HIS A 112 3.527 -11.191 13.968 1.00 0.00 C ATOM 1780 C HIS A 112 3.273 -11.053 15.494 1.00 0.00 C ATOM 1781 O HIS A 112 4.190 -10.784 16.247 1.00 0.00 O ATOM 1782 CB HIS A 112 3.472 -9.836 13.202 1.00 0.00 C ATOM 1783 CG HIS A 112 2.820 -8.741 14.012 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.499 -8.781 14.417 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.323 -7.586 14.508 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.259 -7.673 15.132 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.343 -6.902 15.222 1.00 0.00 N ATOM 0 H HIS A 112 1.657 -11.516 12.987 1.00 0.00 H new ATOM 0 HA HIS A 112 4.524 -11.624 13.886 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.484 -9.532 12.934 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.923 -9.971 12.270 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.828 -9.520 14.209 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.338 -7.245 14.370 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.306 -7.434 15.580 1.00 0.00 H new ATOM 1795 N ARG A 113 2.042 -11.225 15.955 1.00 0.00 N ATOM 1796 CA ARG A 113 1.775 -11.090 17.425 1.00 0.00 C ATOM 1797 C ARG A 113 1.754 -12.468 18.119 1.00 0.00 C ATOM 1798 O ARG A 113 2.077 -12.571 19.287 1.00 0.00 O ATOM 1799 CB ARG A 113 0.399 -10.416 17.540 1.00 0.00 C ATOM 1800 CG ARG A 113 0.418 -9.400 18.682 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.631 -8.317 18.419 1.00 0.00 C ATOM 1802 NE ARG A 113 -1.226 -8.025 19.752 1.00 0.00 N ATOM 1803 CZ ARG A 113 -1.105 -6.836 20.274 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -1.297 -5.777 19.537 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -0.791 -6.705 21.535 1.00 0.00 N ATOM 0 H ARG A 113 1.229 -11.449 15.382 1.00 0.00 H new ATOM 0 HA ARG A 113 2.557 -10.508 17.912 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.147 -9.920 16.603 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.371 -11.167 17.721 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.212 -9.898 19.630 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.407 -8.950 18.766 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.178 -7.426 17.985 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.388 -8.664 17.716 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.728 -8.755 20.257 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.542 -5.879 18.552 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.202 -4.847 19.946 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.640 -7.533 22.112 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -0.696 -5.775 21.943 1.00 0.00 H new ATOM 1819 N GLY A 114 1.370 -13.529 17.426 1.00 0.00 N ATOM 1820 CA GLY A 114 1.326 -14.879 18.072 1.00 0.00 C ATOM 1821 C GLY A 114 2.690 -15.223 18.696 1.00 0.00 C ATOM 1822 O GLY A 114 2.826 -15.258 19.905 1.00 0.00 O ATOM 0 H GLY A 114 1.088 -13.510 16.446 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.553 -14.896 18.841 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.057 -15.634 17.333 1.00 0.00 H new ATOM 2000 N GLU B 7 10.446 -10.233 -6.060 1.00 0.00 N ATOM 2001 CA GLU B 7 10.037 -9.677 -4.729 1.00 0.00 C ATOM 2002 C GLU B 7 10.517 -8.225 -4.607 1.00 0.00 C ATOM 2003 O GLU B 7 11.191 -7.866 -3.661 1.00 0.00 O ATOM 2004 CB GLU B 7 10.702 -10.567 -3.668 1.00 0.00 C ATOM 2005 CG GLU B 7 10.255 -12.018 -3.861 1.00 0.00 C ATOM 2006 CD GLU B 7 11.173 -12.945 -3.064 1.00 0.00 C ATOM 2007 OE1 GLU B 7 12.378 -12.837 -3.225 1.00 0.00 O ATOM 2008 OE2 GLU B 7 10.657 -13.749 -2.305 1.00 0.00 O ATOM 0 HA GLU B 7 8.954 -9.673 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU B 7 11.787 -10.496 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.433 -10.223 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU B 7 9.223 -12.139 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU B 7 10.284 -12.281 -4.918 1.00 0.00 H new ATOM 2015 N VAL B 8 10.171 -7.385 -5.566 1.00 0.00 N ATOM 2016 CA VAL B 8 10.618 -5.943 -5.495 1.00 0.00 C ATOM 2017 C VAL B 8 10.150 -5.323 -4.169 1.00 0.00 C ATOM 2018 O VAL B 8 10.894 -4.610 -3.521 1.00 0.00 O ATOM 2019 CB VAL B 8 9.978 -5.215 -6.691 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.370 -3.735 -6.665 1.00 0.00 C ATOM 2021 CG2 VAL B 8 10.478 -5.845 -7.993 1.00 0.00 C ATOM 0 H VAL B 8 9.609 -7.628 -6.381 1.00 0.00 H new ATOM 0 HA VAL B 8 11.704 -5.860 -5.537 1.00 0.00 H new ATOM 0 HB VAL B 8 8.893 -5.304 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.915 -3.223 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL B 8 10.020 -3.282 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL B 8 11.455 -3.645 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.027 -5.332 -8.842 1.00 0.00 H new ATOM 0 HG22 VAL B 8 11.563 -5.754 -8.048 1.00 0.00 H new ATOM 0 HG23 VAL B 8 10.201 -6.899 -8.017 1.00 0.00 H new ATOM 2031 N SER B 9 8.932 -5.605 -3.748 1.00 0.00 N ATOM 2032 CA SER B 9 8.451 -5.033 -2.437 1.00 0.00 C ATOM 2033 C SER B 9 9.392 -5.489 -1.309 1.00 0.00 C ATOM 2034 O SER B 9 9.706 -4.726 -0.414 1.00 0.00 O ATOM 2035 CB SER B 9 7.035 -5.582 -2.202 1.00 0.00 C ATOM 2036 OG SER B 9 7.117 -6.959 -1.862 1.00 0.00 O ATOM 0 H SER B 9 8.262 -6.194 -4.243 1.00 0.00 H new ATOM 0 HA SER B 9 8.441 -3.943 -2.455 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.545 -5.026 -1.402 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.429 -5.452 -3.098 1.00 0.00 H new ATOM 0 HG SER B 9 6.496 -7.471 -2.421 1.00 0.00 H new ATOM 2042 N SER B 10 9.861 -6.724 -1.355 1.00 0.00 N ATOM 2043 CA SER B 10 10.802 -7.202 -0.283 1.00 0.00 C ATOM 2044 C SER B 10 12.126 -6.431 -0.387 1.00 0.00 C ATOM 2045 O SER B 10 12.626 -5.920 0.597 1.00 0.00 O ATOM 2046 CB SER B 10 11.041 -8.695 -0.548 1.00 0.00 C ATOM 2047 OG SER B 10 11.976 -9.198 0.398 1.00 0.00 O ATOM 0 H SER B 10 9.636 -7.409 -2.077 1.00 0.00 H new ATOM 0 HA SER B 10 10.391 -7.042 0.714 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.102 -9.244 -0.475 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.417 -8.840 -1.561 1.00 0.00 H new ATOM 0 HG SER B 10 12.129 -10.152 0.232 1.00 0.00 H new ATOM 2053 N ILE B 11 12.691 -6.333 -1.575 1.00 0.00 N ATOM 2054 CA ILE B 11 13.983 -5.570 -1.721 1.00 0.00 C ATOM 2055 C ILE B 11 13.758 -4.102 -1.315 1.00 0.00 C ATOM 2056 O ILE B 11 14.611 -3.494 -0.696 1.00 0.00 O ATOM 2057 CB ILE B 11 14.393 -5.673 -3.205 1.00 0.00 C ATOM 2058 CG1 ILE B 11 14.662 -7.139 -3.557 1.00 0.00 C ATOM 2059 CG2 ILE B 11 15.666 -4.859 -3.456 1.00 0.00 C ATOM 2060 CD1 ILE B 11 14.294 -7.389 -5.021 1.00 0.00 C ATOM 0 H ILE B 11 12.322 -6.740 -2.435 1.00 0.00 H new ATOM 0 HA ILE B 11 14.767 -5.975 -1.082 1.00 0.00 H new ATOM 0 HB ILE B 11 13.586 -5.282 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.712 -7.377 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.079 -7.793 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE B 11 15.947 -4.938 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE B 11 15.484 -3.814 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE B 11 16.473 -5.245 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE B 11 14.486 -8.432 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE B 11 13.238 -7.167 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.896 -6.746 -5.663 1.00 0.00 H new ATOM 2072 N LEU B 12 12.614 -3.527 -1.646 1.00 0.00 N ATOM 2073 CA LEU B 12 12.360 -2.094 -1.252 1.00 0.00 C ATOM 2074 C LEU B 12 12.445 -1.939 0.277 1.00 0.00 C ATOM 2075 O LEU B 12 12.919 -0.932 0.769 1.00 0.00 O ATOM 2076 CB LEU B 12 10.944 -1.742 -1.738 1.00 0.00 C ATOM 2077 CG LEU B 12 10.794 -0.222 -1.813 1.00 0.00 C ATOM 2078 CD1 LEU B 12 9.652 0.132 -2.766 1.00 0.00 C ATOM 2079 CD2 LEU B 12 10.483 0.327 -0.419 1.00 0.00 C ATOM 0 H LEU B 12 11.859 -3.979 -2.162 1.00 0.00 H new ATOM 0 HA LEU B 12 13.103 -1.432 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU B 12 10.764 -2.185 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.201 -2.158 -1.058 1.00 0.00 H new ATOM 0 HG LEU B 12 11.722 0.217 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU B 12 9.545 1.215 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU B 12 9.872 -0.260 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU B 12 8.724 -0.306 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU B 12 10.376 1.410 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU B 12 9.555 -0.113 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU B 12 11.297 0.075 0.261 1.00 0.00 H new ATOM 2091 N GLU B 13 11.993 -2.923 1.037 1.00 0.00 N ATOM 2092 CA GLU B 13 12.067 -2.794 2.541 1.00 0.00 C ATOM 2093 C GLU B 13 13.523 -2.576 2.980 1.00 0.00 C ATOM 2094 O GLU B 13 13.792 -1.784 3.864 1.00 0.00 O ATOM 2095 CB GLU B 13 11.531 -4.111 3.126 1.00 0.00 C ATOM 2096 CG GLU B 13 11.338 -3.956 4.637 1.00 0.00 C ATOM 2097 CD GLU B 13 11.563 -5.305 5.322 1.00 0.00 C ATOM 2098 OE1 GLU B 13 11.080 -6.299 4.803 1.00 0.00 O ATOM 2099 OE2 GLU B 13 12.214 -5.322 6.353 1.00 0.00 O ATOM 0 H GLU B 13 11.585 -3.791 0.691 1.00 0.00 H new ATOM 0 HA GLU B 13 11.482 -1.943 2.891 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.585 -4.373 2.653 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.227 -4.924 2.919 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.036 -3.216 5.029 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.333 -3.591 4.850 1.00 0.00 H new ATOM 2106 N GLU B 14 14.469 -3.264 2.369 1.00 0.00 N ATOM 2107 CA GLU B 14 15.908 -3.068 2.773 1.00 0.00 C ATOM 2108 C GLU B 14 16.324 -1.607 2.534 1.00 0.00 C ATOM 2109 O GLU B 14 17.035 -1.026 3.334 1.00 0.00 O ATOM 2110 CB GLU B 14 16.750 -4.007 1.894 1.00 0.00 C ATOM 2111 CG GLU B 14 18.120 -4.222 2.541 1.00 0.00 C ATOM 2112 CD GLU B 14 18.057 -5.431 3.478 1.00 0.00 C ATOM 2113 OE1 GLU B 14 17.421 -6.405 3.113 1.00 0.00 O ATOM 2114 OE2 GLU B 14 18.647 -5.361 4.543 1.00 0.00 O ATOM 0 H GLU B 14 14.312 -3.940 1.622 1.00 0.00 H new ATOM 0 HA GLU B 14 16.053 -3.290 3.830 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.240 -4.963 1.772 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.869 -3.580 0.898 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.876 -4.383 1.772 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.415 -3.332 3.097 1.00 0.00 H new