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 79 SER OG : rot -79:sc= 0.713 USER MOD Set 1.2: A 82 THR OG1 : rot -100:sc= 0.65 USER MOD Set 2.1: A 27 SER OG : rot -170:sc= -0.56 USER MOD Set 2.2: A 112 HIS : no HE2:sc= -2.75! C(o=-3.3!,f=-9.8!) USER MOD Set 3.1: A 20 THR OG1 : rot 168:sc= -1.47! USER MOD Set 3.2: A 108 MET CE :methyl -177:sc= -2.58! (180deg=-2.48!) USER MOD Single : A 18 TYR OH : rot 165:sc= 0 USER MOD Single : A 23 TYR OH : rot -171:sc= -1.3 USER MOD Single : A 24 SER OG : rot -93:sc= 1.06 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.907 K(o=-0.91,f=-5.8!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0.963 (180deg=0.922) USER MOD Single : A 34 GLN : amide:sc= -1.97! K(o=-2!,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) 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 -145:sc= -2.92 (180deg=-5.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0733) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= -1.08 (180deg=-1.86) 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 158:sc= -0.938 (180deg=-2.3!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.265 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 -58:sc= 1.2 USER MOD Single : A 84 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.9!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 92 ASN : amide:sc= -0.0303 K(o=-0.03,f=-1.6) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 98 THR OG1 : rot -130:sc= 0 USER MOD Single : A 103 SER OG : rot -71:sc= 0.285 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0475 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 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 1.033 -12.503 -5.284 1.00 0.00 N ATOM 223 CA ILE A 14 2.154 -11.536 -4.944 1.00 0.00 C ATOM 224 C ILE A 14 1.593 -10.180 -4.457 1.00 0.00 C ATOM 225 O ILE A 14 2.177 -9.546 -3.598 1.00 0.00 O ATOM 226 CB ILE A 14 2.976 -11.341 -6.237 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.132 -10.356 -5.986 1.00 0.00 C ATOM 228 CG2 ILE A 14 2.078 -10.781 -7.343 1.00 0.00 C ATOM 229 CD1 ILE A 14 5.049 -10.883 -4.877 1.00 0.00 C ATOM 0 HA ILE A 14 2.769 -11.933 -4.137 1.00 0.00 H new ATOM 0 HB ILE A 14 3.380 -12.306 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.704 -10.214 -6.903 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.734 -9.381 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.663 -10.645 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.262 -11.477 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.669 -9.821 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.862 -10.176 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.477 -11.001 -3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.462 -11.847 -5.174 1.00 0.00 H new ATOM 241 N GLU A 15 0.457 -9.739 -4.977 1.00 0.00 N ATOM 242 CA GLU A 15 -0.128 -8.428 -4.499 1.00 0.00 C ATOM 243 C GLU A 15 -0.241 -8.440 -2.964 1.00 0.00 C ATOM 244 O GLU A 15 -0.024 -7.433 -2.319 1.00 0.00 O ATOM 245 CB GLU A 15 -1.528 -8.298 -5.132 1.00 0.00 C ATOM 246 CG GLU A 15 -1.472 -7.315 -6.303 1.00 0.00 C ATOM 247 CD GLU A 15 -2.519 -7.706 -7.348 1.00 0.00 C ATOM 248 OE1 GLU A 15 -3.684 -7.778 -6.993 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.138 -7.927 -8.486 1.00 0.00 O ATOM 0 H GLU A 15 -0.081 -10.220 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 15 0.504 -7.588 -4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.874 -9.272 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.244 -7.952 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.657 -6.301 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.478 -7.321 -6.749 1.00 0.00 H new ATOM 256 N GLY A 16 -0.553 -9.575 -2.369 1.00 0.00 N ATOM 257 CA GLY A 16 -0.639 -9.632 -0.881 1.00 0.00 C ATOM 258 C GLY A 16 0.774 -9.467 -0.301 1.00 0.00 C ATOM 259 O GLY A 16 0.964 -8.783 0.688 1.00 0.00 O ATOM 0 H GLY A 16 -0.749 -10.452 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.295 -8.844 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.070 -10.581 -0.563 1.00 0.00 H new ATOM 263 N ARG A 17 1.778 -10.075 -0.914 1.00 0.00 N ATOM 264 CA ARG A 17 3.183 -9.922 -0.384 1.00 0.00 C ATOM 265 C ARG A 17 3.575 -8.439 -0.316 1.00 0.00 C ATOM 266 O ARG A 17 4.348 -8.052 0.536 1.00 0.00 O ATOM 267 CB ARG A 17 4.111 -10.670 -1.355 1.00 0.00 C ATOM 268 CG ARG A 17 4.258 -12.125 -0.903 1.00 0.00 C ATOM 269 CD ARG A 17 5.442 -12.767 -1.628 1.00 0.00 C ATOM 270 NE ARG A 17 6.603 -12.577 -0.714 1.00 0.00 N ATOM 271 CZ ARG A 17 7.287 -13.610 -0.305 1.00 0.00 C ATOM 272 NH1 ARG A 17 7.939 -14.342 -1.166 1.00 0.00 N ATOM 273 NH2 ARG A 17 7.321 -13.910 0.964 1.00 0.00 N ATOM 0 H ARG A 17 1.687 -10.661 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 17 3.260 -10.328 0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.704 -10.631 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.088 -10.187 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.411 -12.168 0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.343 -12.678 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.260 -13.824 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.618 -12.293 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 17 6.863 -11.639 -0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.914 -14.107 -2.158 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.474 -15.150 -0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.813 -13.337 1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.856 -14.718 1.283 1.00 0.00 H new ATOM 287 N TYR A 18 3.049 -7.593 -1.191 1.00 0.00 N ATOM 288 CA TYR A 18 3.417 -6.125 -1.123 1.00 0.00 C ATOM 289 C TYR A 18 3.178 -5.596 0.303 1.00 0.00 C ATOM 290 O TYR A 18 3.953 -4.803 0.807 1.00 0.00 O ATOM 291 CB TYR A 18 2.498 -5.383 -2.113 1.00 0.00 C ATOM 292 CG TYR A 18 3.215 -5.115 -3.418 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.987 -6.116 -4.028 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.090 -3.862 -4.028 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.635 -5.858 -5.242 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.736 -3.606 -5.242 1.00 0.00 C ATOM 297 CZ TYR A 18 4.509 -4.603 -5.850 1.00 0.00 C ATOM 298 OH TYR A 18 5.145 -4.349 -7.048 1.00 0.00 O ATOM 0 H TYR A 18 2.396 -7.847 -1.932 1.00 0.00 H new ATOM 0 HA TYR A 18 4.466 -5.973 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.603 -5.977 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.169 -4.441 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.081 -7.085 -3.561 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.494 -3.092 -3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.232 -6.627 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.638 -2.638 -5.711 1.00 0.00 H new ATOM 0 HH TYR A 18 4.772 -3.537 -7.451 1.00 0.00 H new ATOM 308 N ALA A 19 2.127 -6.046 0.964 1.00 0.00 N ATOM 309 CA ALA A 19 1.884 -5.566 2.368 1.00 0.00 C ATOM 310 C ALA A 19 2.875 -6.246 3.318 1.00 0.00 C ATOM 311 O ALA A 19 3.385 -5.619 4.227 1.00 0.00 O ATOM 312 CB ALA A 19 0.445 -5.956 2.744 1.00 0.00 C ATOM 0 H ALA A 19 1.443 -6.709 0.600 1.00 0.00 H new ATOM 0 HA ALA A 19 2.019 -4.487 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.231 -5.623 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.253 -5.483 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.335 -7.039 2.686 1.00 0.00 H new ATOM 318 N THR A 20 3.163 -7.521 3.121 1.00 0.00 N ATOM 319 CA THR A 20 4.137 -8.200 4.040 1.00 0.00 C ATOM 320 C THR A 20 5.568 -7.744 3.737 1.00 0.00 C ATOM 321 O THR A 20 6.370 -7.611 4.643 1.00 0.00 O ATOM 322 CB THR A 20 3.981 -9.719 3.847 1.00 0.00 C ATOM 323 OG1 THR A 20 3.120 -9.979 2.742 1.00 0.00 O ATOM 324 CG2 THR A 20 3.380 -10.321 5.121 1.00 0.00 C ATOM 0 H THR A 20 2.774 -8.105 2.381 1.00 0.00 H new ATOM 0 HA THR A 20 3.933 -7.937 5.078 1.00 0.00 H new ATOM 0 HB THR A 20 4.955 -10.167 3.650 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.174 -10.927 2.501 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.265 -11.398 4.995 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.042 -10.123 5.964 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.405 -9.872 5.311 1.00 0.00 H new ATOM 332 N ALA A 21 5.899 -7.465 2.492 1.00 0.00 N ATOM 333 CA ALA A 21 7.290 -6.977 2.204 1.00 0.00 C ATOM 334 C ALA A 21 7.432 -5.502 2.628 1.00 0.00 C ATOM 335 O ALA A 21 8.537 -5.016 2.787 1.00 0.00 O ATOM 336 CB ALA A 21 7.515 -7.132 0.692 1.00 0.00 C ATOM 0 H ALA A 21 5.283 -7.551 1.683 1.00 0.00 H new ATOM 0 HA ALA A 21 8.031 -7.550 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.517 -6.788 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.409 -8.181 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.778 -6.537 0.152 1.00 0.00 H new ATOM 342 N LEU A 22 6.337 -4.789 2.845 1.00 0.00 N ATOM 343 CA LEU A 22 6.460 -3.364 3.293 1.00 0.00 C ATOM 344 C LEU A 22 6.277 -3.313 4.807 1.00 0.00 C ATOM 345 O LEU A 22 7.033 -2.660 5.503 1.00 0.00 O ATOM 346 CB LEU A 22 5.349 -2.583 2.581 1.00 0.00 C ATOM 347 CG LEU A 22 5.416 -1.102 2.988 1.00 0.00 C ATOM 348 CD1 LEU A 22 5.979 -0.272 1.832 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.012 -0.599 3.337 1.00 0.00 C ATOM 0 H LEU A 22 5.383 -5.132 2.732 1.00 0.00 H new ATOM 0 HA LEU A 22 7.433 -2.936 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.458 -2.679 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.375 -2.998 2.841 1.00 0.00 H new ATOM 0 HG LEU A 22 6.066 -1.000 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.024 0.777 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.981 -0.624 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.333 -0.377 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.063 0.451 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.361 -0.706 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.612 -1.183 4.165 1.00 0.00 H new ATOM 361 N TYR A 23 5.301 -4.025 5.333 1.00 0.00 N ATOM 362 CA TYR A 23 5.122 -4.030 6.807 1.00 0.00 C ATOM 363 C TYR A 23 6.163 -4.979 7.455 1.00 0.00 C ATOM 364 O TYR A 23 6.381 -4.898 8.646 1.00 0.00 O ATOM 365 CB TYR A 23 3.636 -4.427 7.067 1.00 0.00 C ATOM 366 CG TYR A 23 3.500 -5.755 7.775 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.870 -5.868 9.113 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.026 -6.865 7.081 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.759 -7.094 9.768 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.918 -8.094 7.724 1.00 0.00 C ATOM 371 CZ TYR A 23 3.281 -8.214 9.073 1.00 0.00 C ATOM 372 OH TYR A 23 3.174 -9.432 9.714 1.00 0.00 O ATOM 0 H TYR A 23 4.636 -4.591 4.806 1.00 0.00 H new ATOM 0 HA TYR A 23 5.303 -3.058 7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.157 -3.651 7.664 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.105 -4.471 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.243 -5.005 9.644 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.742 -6.772 6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.040 -7.181 10.807 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.554 -8.956 7.184 1.00 0.00 H new ATOM 0 HH TYR A 23 2.969 -10.130 9.058 1.00 0.00 H new ATOM 382 N SER A 24 6.831 -5.861 6.699 1.00 0.00 N ATOM 383 CA SER A 24 7.869 -6.757 7.347 1.00 0.00 C ATOM 384 C SER A 24 8.841 -5.877 8.152 1.00 0.00 C ATOM 385 O SER A 24 9.190 -6.194 9.274 1.00 0.00 O ATOM 386 CB SER A 24 8.610 -7.483 6.215 1.00 0.00 C ATOM 387 OG SER A 24 9.899 -7.870 6.671 1.00 0.00 O ATOM 0 H SER A 24 6.703 -5.991 5.695 1.00 0.00 H new ATOM 0 HA SER A 24 7.416 -7.483 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.045 -8.360 5.899 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.699 -6.831 5.346 1.00 0.00 H new ATOM 0 HG SER A 24 10.551 -7.176 6.438 1.00 0.00 H new ATOM 393 N ALA A 25 9.215 -4.732 7.610 1.00 0.00 N ATOM 394 CA ALA A 25 10.087 -3.799 8.393 1.00 0.00 C ATOM 395 C ALA A 25 9.201 -3.142 9.461 1.00 0.00 C ATOM 396 O ALA A 25 9.600 -2.998 10.601 1.00 0.00 O ATOM 397 CB ALA A 25 10.624 -2.747 7.408 1.00 0.00 C ATOM 0 H ALA A 25 8.957 -4.412 6.676 1.00 0.00 H new ATOM 0 HA ALA A 25 10.924 -4.304 8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.266 -2.045 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.198 -3.242 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.789 -2.208 6.961 1.00 0.00 H new ATOM 403 N ALA A 26 7.977 -2.764 9.106 1.00 0.00 N ATOM 404 CA ALA A 26 7.057 -2.143 10.131 1.00 0.00 C ATOM 405 C ALA A 26 6.894 -3.087 11.339 1.00 0.00 C ATOM 406 O ALA A 26 6.830 -2.641 12.469 1.00 0.00 O ATOM 407 CB ALA A 26 5.697 -1.943 9.442 1.00 0.00 C ATOM 0 H ALA A 26 7.586 -2.858 8.169 1.00 0.00 H new ATOM 0 HA ALA A 26 7.460 -1.198 10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.995 -1.495 10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.818 -1.285 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.312 -2.907 9.110 1.00 0.00 H new ATOM 413 N SER A 27 6.834 -4.394 11.116 1.00 0.00 N ATOM 414 CA SER A 27 6.684 -5.351 12.278 1.00 0.00 C ATOM 415 C SER A 27 7.805 -5.094 13.298 1.00 0.00 C ATOM 416 O SER A 27 7.569 -5.058 14.491 1.00 0.00 O ATOM 417 CB SER A 27 6.819 -6.769 11.702 1.00 0.00 C ATOM 418 OG SER A 27 6.785 -7.713 12.764 1.00 0.00 O ATOM 0 H SER A 27 6.882 -4.831 10.196 1.00 0.00 H new ATOM 0 HA SER A 27 5.725 -5.222 12.780 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.010 -6.967 10.999 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.753 -6.861 11.148 1.00 0.00 H new ATOM 0 HG SER A 27 7.028 -8.599 12.422 1.00 0.00 H new ATOM 424 N LYS A 28 9.024 -4.888 12.831 1.00 0.00 N ATOM 425 CA LYS A 28 10.149 -4.602 13.789 1.00 0.00 C ATOM 426 C LYS A 28 9.922 -3.224 14.430 1.00 0.00 C ATOM 427 O LYS A 28 10.138 -3.047 15.614 1.00 0.00 O ATOM 428 CB LYS A 28 11.448 -4.603 12.968 1.00 0.00 C ATOM 429 CG LYS A 28 12.593 -5.148 13.824 1.00 0.00 C ATOM 430 CD LYS A 28 12.409 -6.654 14.022 1.00 0.00 C ATOM 431 CE LYS A 28 13.718 -7.267 14.524 1.00 0.00 C ATOM 432 NZ LYS A 28 13.302 -8.382 15.420 1.00 0.00 N ATOM 0 H LYS A 28 9.283 -4.905 11.845 1.00 0.00 H new ATOM 0 HA LYS A 28 10.202 -5.346 14.584 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.325 -5.215 12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.680 -3.592 12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.549 -4.948 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.612 -4.643 14.790 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.609 -6.842 14.738 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.113 -7.121 13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.326 -7.632 13.696 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.318 -6.532 15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.146 -8.852 15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.730 -8.004 16.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.738 -9.069 14.880 1.00 0.00 H new ATOM 446 N GLN A 29 9.464 -2.251 13.663 1.00 0.00 N ATOM 447 CA GLN A 29 9.202 -0.893 14.258 1.00 0.00 C ATOM 448 C GLN A 29 7.843 -0.857 14.997 1.00 0.00 C ATOM 449 O GLN A 29 7.509 0.141 15.606 1.00 0.00 O ATOM 450 CB GLN A 29 9.194 0.101 13.088 1.00 0.00 C ATOM 451 CG GLN A 29 10.550 0.072 12.380 1.00 0.00 C ATOM 452 CD GLN A 29 10.363 0.417 10.898 1.00 0.00 C ATOM 453 OE1 GLN A 29 9.357 0.074 10.310 1.00 0.00 O ATOM 454 NE2 GLN A 29 11.292 1.087 10.261 1.00 0.00 N ATOM 0 H GLN A 29 9.264 -2.337 12.667 1.00 0.00 H new ATOM 0 HA GLN A 29 9.968 -0.643 14.992 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.400 -0.155 12.386 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.985 1.106 13.453 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.231 0.784 12.847 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.003 -0.914 12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.138 1.377 10.751 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.169 1.318 9.275 1.00 0.00 H new ATOM 463 N ASN A 30 7.045 -1.922 14.952 1.00 0.00 N ATOM 464 CA ASN A 30 5.716 -1.926 15.652 1.00 0.00 C ATOM 465 C ASN A 30 4.762 -0.941 14.969 1.00 0.00 C ATOM 466 O ASN A 30 4.015 -0.241 15.625 1.00 0.00 O ATOM 467 CB ASN A 30 5.971 -1.519 17.113 1.00 0.00 C ATOM 468 CG ASN A 30 5.003 -2.275 18.031 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.803 -2.147 17.897 1.00 0.00 O ATOM 470 ND2 ASN A 30 5.472 -3.064 18.968 1.00 0.00 N ATOM 0 H ASN A 30 7.268 -2.785 14.456 1.00 0.00 H new ATOM 0 HA ASN A 30 5.253 -2.912 15.611 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.001 -1.743 17.390 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.836 -0.444 17.231 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.829 -3.567 19.580 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.479 -3.175 19.084 1.00 0.00 H new ATOM 477 N LYS A 31 4.771 -0.892 13.651 1.00 0.00 N ATOM 478 CA LYS A 31 3.844 0.041 12.938 1.00 0.00 C ATOM 479 C LYS A 31 2.684 -0.724 12.259 1.00 0.00 C ATOM 480 O LYS A 31 1.993 -0.162 11.434 1.00 0.00 O ATOM 481 CB LYS A 31 4.704 0.748 11.890 1.00 0.00 C ATOM 482 CG LYS A 31 5.262 2.045 12.478 1.00 0.00 C ATOM 483 CD LYS A 31 6.619 1.769 13.129 1.00 0.00 C ATOM 484 CE LYS A 31 6.971 2.913 14.082 1.00 0.00 C ATOM 485 NZ LYS A 31 6.231 2.608 15.338 1.00 0.00 N ATOM 0 H LYS A 31 5.374 -1.453 13.049 1.00 0.00 H new ATOM 0 HA LYS A 31 3.381 0.743 13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.521 0.098 11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.109 0.965 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.369 2.795 11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.569 2.450 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.588 0.825 13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.388 1.670 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.045 2.963 14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.670 3.877 13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.488 3.302 16.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.208 2.657 15.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.480 1.653 15.664 1.00 0.00 H new ATOM 499 N LEU A 32 2.445 -1.990 12.602 1.00 0.00 N ATOM 500 CA LEU A 32 1.301 -2.755 11.967 1.00 0.00 C ATOM 501 C LEU A 32 0.019 -1.906 11.992 1.00 0.00 C ATOM 502 O LEU A 32 -0.748 -1.914 11.049 1.00 0.00 O ATOM 503 CB LEU A 32 1.132 -4.032 12.820 1.00 0.00 C ATOM 504 CG LEU A 32 2.039 -5.172 12.302 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.390 -5.797 11.069 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.447 -4.652 11.947 1.00 0.00 C ATOM 0 H LEU A 32 2.988 -2.517 13.286 1.00 0.00 H new ATOM 0 HA LEU A 32 1.500 -2.998 10.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.376 -3.813 13.860 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.091 -4.353 12.797 1.00 0.00 H new ATOM 0 HG LEU A 32 2.150 -5.918 13.089 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.021 -6.603 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.412 -6.197 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.273 -5.038 10.295 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.060 -5.478 11.586 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.369 -3.892 11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.909 -4.218 12.834 1.00 0.00 H new ATOM 518 N GLU A 33 -0.193 -1.132 13.039 1.00 0.00 N ATOM 519 CA GLU A 33 -1.405 -0.247 13.066 1.00 0.00 C ATOM 520 C GLU A 33 -1.143 0.953 12.140 1.00 0.00 C ATOM 521 O GLU A 33 -2.001 1.351 11.375 1.00 0.00 O ATOM 522 CB GLU A 33 -1.590 0.218 14.519 1.00 0.00 C ATOM 523 CG GLU A 33 -1.844 -0.996 15.415 1.00 0.00 C ATOM 524 CD GLU A 33 -3.351 -1.227 15.545 1.00 0.00 C ATOM 525 OE1 GLU A 33 -4.048 -1.034 14.563 1.00 0.00 O ATOM 526 OE2 GLU A 33 -3.783 -1.594 16.627 1.00 0.00 O ATOM 0 H GLU A 33 0.410 -1.077 13.860 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.303 -0.763 12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.702 0.753 14.857 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.426 0.914 14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.365 -1.879 14.993 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.404 -0.834 16.399 1.00 0.00 H new ATOM 533 N GLN A 34 0.053 1.515 12.184 1.00 0.00 N ATOM 534 CA GLN A 34 0.371 2.673 11.272 1.00 0.00 C ATOM 535 C GLN A 34 0.242 2.249 9.801 1.00 0.00 C ATOM 536 O GLN A 34 -0.046 3.070 8.950 1.00 0.00 O ATOM 537 CB GLN A 34 1.819 3.098 11.578 1.00 0.00 C ATOM 538 CG GLN A 34 1.896 3.692 12.990 1.00 0.00 C ATOM 539 CD GLN A 34 1.014 4.948 13.078 1.00 0.00 C ATOM 540 OE1 GLN A 34 -0.116 4.873 13.517 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.481 6.105 12.677 1.00 0.00 N ATOM 0 H GLN A 34 0.811 1.226 12.802 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.322 3.498 11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.485 2.239 11.498 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.155 3.832 10.846 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.568 2.955 13.723 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.928 3.944 13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.429 6.172 12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.896 6.939 12.734 1.00 0.00 H new ATOM 550 N VAL A 35 0.460 0.986 9.480 1.00 0.00 N ATOM 551 CA VAL A 35 0.347 0.561 8.046 1.00 0.00 C ATOM 552 C VAL A 35 -0.993 -0.157 7.797 1.00 0.00 C ATOM 553 O VAL A 35 -1.627 0.066 6.786 1.00 0.00 O ATOM 554 CB VAL A 35 1.526 -0.401 7.760 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.835 -0.377 6.262 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.797 0.005 8.533 1.00 0.00 C ATOM 0 H VAL A 35 0.706 0.247 10.139 1.00 0.00 H new ATOM 0 HA VAL A 35 0.383 1.429 7.388 1.00 0.00 H new ATOM 0 HB VAL A 35 1.232 -1.399 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.664 -1.052 6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.955 -0.697 5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.106 0.635 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.601 -0.695 8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.097 1.010 8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.593 -0.013 9.604 1.00 0.00 H new ATOM 566 N GLU A 36 -1.430 -1.021 8.694 1.00 0.00 N ATOM 567 CA GLU A 36 -2.738 -1.743 8.458 1.00 0.00 C ATOM 568 C GLU A 36 -3.931 -0.771 8.483 1.00 0.00 C ATOM 569 O GLU A 36 -4.926 -1.007 7.823 1.00 0.00 O ATOM 570 CB GLU A 36 -2.891 -2.774 9.588 1.00 0.00 C ATOM 571 CG GLU A 36 -3.964 -3.797 9.204 1.00 0.00 C ATOM 572 CD GLU A 36 -4.755 -4.206 10.449 1.00 0.00 C ATOM 573 OE1 GLU A 36 -4.966 -3.357 11.299 1.00 0.00 O ATOM 574 OE2 GLU A 36 -5.139 -5.362 10.529 1.00 0.00 O ATOM 0 H GLU A 36 -0.951 -1.256 9.563 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.727 -2.217 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.941 -3.277 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.166 -2.274 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.635 -3.372 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.500 -4.673 8.752 1.00 0.00 H new ATOM 581 N LYS A 37 -3.861 0.310 9.240 1.00 0.00 N ATOM 582 CA LYS A 37 -5.030 1.256 9.283 1.00 0.00 C ATOM 583 C LYS A 37 -4.925 2.310 8.175 1.00 0.00 C ATOM 584 O LYS A 37 -5.928 2.690 7.598 1.00 0.00 O ATOM 585 CB LYS A 37 -4.999 1.923 10.666 1.00 0.00 C ATOM 586 CG LYS A 37 -6.424 2.033 11.215 1.00 0.00 C ATOM 587 CD LYS A 37 -6.763 0.770 12.010 1.00 0.00 C ATOM 588 CE LYS A 37 -8.177 0.891 12.583 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.046 0.160 11.619 1.00 0.00 N ATOM 0 H LYS A 37 -3.062 0.572 9.817 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.967 0.722 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.380 1.341 11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.549 2.913 10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.512 2.912 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.132 2.161 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.694 -0.107 11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.043 0.631 12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.238 0.454 13.580 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.478 1.935 12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.033 0.198 11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.973 0.603 10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.740 -0.832 11.559 1.00 0.00 H new ATOM 603 N GLU A 38 -3.737 2.782 7.854 1.00 0.00 N ATOM 604 CA GLU A 38 -3.636 3.802 6.757 1.00 0.00 C ATOM 605 C GLU A 38 -3.895 3.116 5.406 1.00 0.00 C ATOM 606 O GLU A 38 -4.549 3.674 4.546 1.00 0.00 O ATOM 607 CB GLU A 38 -2.224 4.390 6.825 1.00 0.00 C ATOM 608 CG GLU A 38 -2.199 5.528 7.850 1.00 0.00 C ATOM 609 CD GLU A 38 -2.436 4.968 9.255 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.582 4.703 9.579 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.470 4.821 9.983 1.00 0.00 O ATOM 0 H GLU A 38 -2.856 2.513 8.292 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.373 4.598 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.509 3.617 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.924 4.761 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.239 6.043 7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.966 6.264 7.608 1.00 0.00 H new ATOM 618 N LEU A 39 -3.418 1.897 5.215 1.00 0.00 N ATOM 619 CA LEU A 39 -3.687 1.187 3.905 1.00 0.00 C ATOM 620 C LEU A 39 -5.203 1.157 3.630 1.00 0.00 C ATOM 621 O LEU A 39 -5.630 1.265 2.497 1.00 0.00 O ATOM 622 CB LEU A 39 -3.154 -0.256 4.043 1.00 0.00 C ATOM 623 CG LEU A 39 -1.879 -0.421 3.211 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.783 0.510 3.743 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.403 -1.875 3.297 1.00 0.00 C ATOM 0 H LEU A 39 -2.866 1.371 5.893 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.197 1.703 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.947 -0.478 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.911 -0.966 3.710 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.091 -0.164 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.121 0.387 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.122 1.544 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.568 0.262 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.495 -1.996 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.196 -2.129 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.179 -2.535 2.910 1.00 0.00 H new ATOM 637 N LEU A 40 -6.024 1.019 4.659 1.00 0.00 N ATOM 638 CA LEU A 40 -7.517 0.994 4.427 1.00 0.00 C ATOM 639 C LEU A 40 -7.964 2.248 3.651 1.00 0.00 C ATOM 640 O LEU A 40 -8.891 2.189 2.865 1.00 0.00 O ATOM 641 CB LEU A 40 -8.181 0.973 5.814 1.00 0.00 C ATOM 642 CG LEU A 40 -9.642 0.546 5.673 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.737 -0.980 5.733 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.462 1.151 6.815 1.00 0.00 C ATOM 0 H LEU A 40 -5.732 0.924 5.632 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.801 0.122 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.652 0.284 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.122 1.960 6.272 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.032 0.897 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.779 -1.284 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.153 -1.413 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.347 -1.332 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.504 0.847 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.071 0.799 7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.396 2.238 6.774 1.00 0.00 H new ATOM 656 N ARG A 41 -7.315 3.383 3.856 1.00 0.00 N ATOM 657 CA ARG A 41 -7.733 4.624 3.104 1.00 0.00 C ATOM 658 C ARG A 41 -7.616 4.379 1.593 1.00 0.00 C ATOM 659 O ARG A 41 -8.516 4.706 0.840 1.00 0.00 O ATOM 660 CB ARG A 41 -6.781 5.753 3.532 1.00 0.00 C ATOM 661 CG ARG A 41 -7.329 6.437 4.785 1.00 0.00 C ATOM 662 CD ARG A 41 -6.324 7.479 5.280 1.00 0.00 C ATOM 663 NE ARG A 41 -7.099 8.356 6.200 1.00 0.00 N ATOM 664 CZ ARG A 41 -7.364 9.587 5.860 1.00 0.00 C ATOM 665 NH1 ARG A 41 -8.236 9.833 4.920 1.00 0.00 N ATOM 666 NH2 ARG A 41 -6.757 10.575 6.460 1.00 0.00 N ATOM 0 H ARG A 41 -6.531 3.502 4.497 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.767 4.887 3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.788 5.350 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.675 6.479 2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.284 6.914 4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.515 5.697 5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.488 7.007 5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.906 8.049 4.450 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.423 7.994 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.711 9.062 4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.442 10.796 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.076 10.384 7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.964 11.538 6.194 1.00 0.00 H new ATOM 680 N VAL A 42 -6.523 3.795 1.139 1.00 0.00 N ATOM 681 CA VAL A 42 -6.388 3.526 -0.336 1.00 0.00 C ATOM 682 C VAL A 42 -7.490 2.545 -0.775 1.00 0.00 C ATOM 683 O VAL A 42 -8.060 2.689 -1.841 1.00 0.00 O ATOM 684 CB VAL A 42 -4.990 2.915 -0.548 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.794 2.556 -2.025 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.925 3.933 -0.131 1.00 0.00 C ATOM 0 H VAL A 42 -5.734 3.499 1.713 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.496 4.435 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.898 2.012 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.803 2.125 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.551 1.832 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.888 3.455 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.934 3.504 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.025 4.833 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.056 4.187 0.921 1.00 0.00 H new ATOM 696 N GLY A 43 -7.805 1.555 0.040 1.00 0.00 N ATOM 697 CA GLY A 43 -8.876 0.587 -0.337 1.00 0.00 C ATOM 698 C GLY A 43 -10.216 1.332 -0.420 1.00 0.00 C ATOM 699 O GLY A 43 -10.953 1.176 -1.376 1.00 0.00 O ATOM 0 H GLY A 43 -7.364 1.383 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.643 0.123 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.936 -0.214 0.400 1.00 0.00 H new ATOM 703 N GLN A 44 -10.538 2.150 0.566 1.00 0.00 N ATOM 704 CA GLN A 44 -11.841 2.906 0.508 1.00 0.00 C ATOM 705 C GLN A 44 -11.838 3.828 -0.721 1.00 0.00 C ATOM 706 O GLN A 44 -12.817 3.914 -1.438 1.00 0.00 O ATOM 707 CB GLN A 44 -11.933 3.738 1.797 1.00 0.00 C ATOM 708 CG GLN A 44 -12.478 2.867 2.930 1.00 0.00 C ATOM 709 CD GLN A 44 -13.046 3.762 4.038 1.00 0.00 C ATOM 710 OE1 GLN A 44 -14.152 3.547 4.495 1.00 0.00 O ATOM 711 NE2 GLN A 44 -12.338 4.765 4.497 1.00 0.00 N ATOM 0 H GLN A 44 -9.967 2.324 1.393 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.692 2.230 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.950 4.125 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.583 4.599 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.255 2.203 2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.685 2.235 3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.410 4.950 4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.715 5.361 5.234 1.00 0.00 H new ATOM 720 N ILE A 45 -10.736 4.504 -0.981 1.00 0.00 N ATOM 721 CA ILE A 45 -10.679 5.404 -2.189 1.00 0.00 C ATOM 722 C ILE A 45 -10.881 4.565 -3.464 1.00 0.00 C ATOM 723 O ILE A 45 -11.501 5.016 -4.406 1.00 0.00 O ATOM 724 CB ILE A 45 -9.282 6.063 -2.182 1.00 0.00 C ATOM 725 CG1 ILE A 45 -9.171 6.990 -0.967 1.00 0.00 C ATOM 726 CG2 ILE A 45 -9.067 6.880 -3.464 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.695 7.221 -0.635 1.00 0.00 C ATOM 0 H ILE A 45 -9.885 4.473 -0.419 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.460 6.164 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.522 5.283 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.661 7.941 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.683 6.549 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.078 7.337 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.145 6.224 -4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.826 7.660 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.615 7.880 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.219 6.267 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.198 7.681 -1.489 1.00 0.00 H new ATOM 739 N LEU A 46 -10.372 3.350 -3.506 1.00 0.00 N ATOM 740 CA LEU A 46 -10.564 2.511 -4.742 1.00 0.00 C ATOM 741 C LEU A 46 -12.009 1.994 -4.812 1.00 0.00 C ATOM 742 O LEU A 46 -12.601 1.948 -5.875 1.00 0.00 O ATOM 743 CB LEU A 46 -9.589 1.323 -4.634 1.00 0.00 C ATOM 744 CG LEU A 46 -8.897 1.083 -5.978 1.00 0.00 C ATOM 745 CD1 LEU A 46 -9.941 0.830 -7.074 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.046 2.308 -6.343 1.00 0.00 C ATOM 0 H LEU A 46 -9.842 2.909 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.372 3.097 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.844 1.523 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.129 0.426 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.255 0.206 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.436 0.661 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.534 -0.048 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.596 1.697 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.553 2.137 -7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.686 3.187 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.293 2.471 -5.572 1.00 0.00 H new ATOM 758 N LYS A 47 -12.586 1.615 -3.691 1.00 0.00 N ATOM 759 CA LYS A 47 -14.002 1.114 -3.714 1.00 0.00 C ATOM 760 C LYS A 47 -14.977 2.288 -3.885 1.00 0.00 C ATOM 761 O LYS A 47 -16.055 2.116 -4.425 1.00 0.00 O ATOM 762 CB LYS A 47 -14.245 0.414 -2.366 1.00 0.00 C ATOM 763 CG LYS A 47 -15.648 -0.203 -2.349 1.00 0.00 C ATOM 764 CD LYS A 47 -16.269 -0.048 -0.951 1.00 0.00 C ATOM 765 CE LYS A 47 -16.770 -1.408 -0.451 1.00 0.00 C ATOM 766 NZ LYS A 47 -18.099 -1.127 0.162 1.00 0.00 N ATOM 0 H LYS A 47 -12.144 1.630 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.162 0.428 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.495 -0.361 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.142 1.129 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.278 0.284 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.594 -1.258 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.531 0.355 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.094 0.663 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.856 -2.122 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.083 -1.839 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.506 -2.011 0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.985 -0.449 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.734 -0.724 -0.556 1.00 0.00 H new ATOM 780 N GLU A 48 -14.626 3.482 -3.431 1.00 0.00 N ATOM 781 CA GLU A 48 -15.577 4.640 -3.587 1.00 0.00 C ATOM 782 C GLU A 48 -15.972 4.812 -5.067 1.00 0.00 C ATOM 783 O GLU A 48 -15.139 4.665 -5.940 1.00 0.00 O ATOM 784 CB GLU A 48 -14.837 5.893 -3.091 1.00 0.00 C ATOM 785 CG GLU A 48 -15.115 6.094 -1.600 1.00 0.00 C ATOM 786 CD GLU A 48 -15.129 7.590 -1.280 1.00 0.00 C ATOM 787 OE1 GLU A 48 -14.065 8.187 -1.286 1.00 0.00 O ATOM 788 OE2 GLU A 48 -16.204 8.112 -1.033 1.00 0.00 O ATOM 0 H GLU A 48 -13.742 3.698 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.491 4.471 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.766 5.786 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.163 6.768 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.072 5.646 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.352 5.591 -1.006 1.00 0.00 H new ATOM 795 N PRO A 49 -17.232 5.115 -5.315 1.00 0.00 N ATOM 796 CA PRO A 49 -17.695 5.295 -6.714 1.00 0.00 C ATOM 797 C PRO A 49 -17.152 6.610 -7.296 1.00 0.00 C ATOM 798 O PRO A 49 -16.692 6.646 -8.421 1.00 0.00 O ATOM 799 CB PRO A 49 -19.216 5.339 -6.589 1.00 0.00 C ATOM 800 CG PRO A 49 -19.477 5.794 -5.191 1.00 0.00 C ATOM 801 CD PRO A 49 -18.323 5.318 -4.347 1.00 0.00 C ATOM 0 HA PRO A 49 -17.352 4.505 -7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.652 6.025 -7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.655 4.359 -6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.563 6.880 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.418 5.386 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.053 6.054 -3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.567 4.395 -3.822 1.00 0.00 H new ATOM 809 N LYS A 50 -17.194 7.691 -6.540 1.00 0.00 N ATOM 810 CA LYS A 50 -16.660 8.999 -7.077 1.00 0.00 C ATOM 811 C LYS A 50 -15.189 8.835 -7.500 1.00 0.00 C ATOM 812 O LYS A 50 -14.762 9.393 -8.493 1.00 0.00 O ATOM 813 CB LYS A 50 -16.767 10.026 -5.938 1.00 0.00 C ATOM 814 CG LYS A 50 -18.114 10.745 -6.022 1.00 0.00 C ATOM 815 CD LYS A 50 -18.306 11.620 -4.781 1.00 0.00 C ATOM 816 CE LYS A 50 -19.109 10.851 -3.729 1.00 0.00 C ATOM 817 NZ LYS A 50 -18.746 11.483 -2.431 1.00 0.00 N ATOM 0 H LYS A 50 -17.567 7.728 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.226 9.322 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.669 9.527 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.953 10.748 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.155 11.359 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.922 10.017 -6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.337 11.909 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.826 12.540 -5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.180 10.925 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.856 9.791 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.258 11.009 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.722 11.392 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.005 12.490 -2.451 1.00 0.00 H new ATOM 831 N MET A 51 -14.412 8.067 -6.760 1.00 0.00 N ATOM 832 CA MET A 51 -12.968 7.872 -7.146 1.00 0.00 C ATOM 833 C MET A 51 -12.843 6.870 -8.309 1.00 0.00 C ATOM 834 O MET A 51 -11.927 6.965 -9.103 1.00 0.00 O ATOM 835 CB MET A 51 -12.252 7.315 -5.905 1.00 0.00 C ATOM 836 CG MET A 51 -12.377 8.289 -4.724 1.00 0.00 C ATOM 837 SD MET A 51 -11.675 9.915 -5.145 1.00 0.00 S ATOM 838 CE MET A 51 -10.077 9.349 -5.778 1.00 0.00 C ATOM 0 H MET A 51 -14.709 7.574 -5.918 1.00 0.00 H new ATOM 0 HA MET A 51 -12.530 8.814 -7.475 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.681 6.350 -5.634 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.200 7.144 -6.132 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.426 8.401 -4.450 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.862 7.880 -3.854 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.305 10.074 -5.518 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.832 8.383 -5.336 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.130 9.248 -6.862 1.00 0.00 H new ATOM 848 N ALA A 52 -13.748 5.907 -8.425 1.00 0.00 N ATOM 849 CA ALA A 52 -13.649 4.907 -9.558 1.00 0.00 C ATOM 850 C ALA A 52 -13.473 5.633 -10.904 1.00 0.00 C ATOM 851 O ALA A 52 -12.766 5.163 -11.775 1.00 0.00 O ATOM 852 CB ALA A 52 -14.965 4.111 -9.558 1.00 0.00 C ATOM 0 H ALA A 52 -14.538 5.772 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.788 4.252 -9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.944 3.373 -10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.083 3.603 -8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.802 4.792 -9.713 1.00 0.00 H new ATOM 858 N ALA A 53 -14.100 6.781 -11.076 1.00 0.00 N ATOM 859 CA ALA A 53 -13.939 7.528 -12.373 1.00 0.00 C ATOM 860 C ALA A 53 -12.479 7.996 -12.546 1.00 0.00 C ATOM 861 O ALA A 53 -11.992 8.086 -13.656 1.00 0.00 O ATOM 862 CB ALA A 53 -14.877 8.743 -12.305 1.00 0.00 C ATOM 0 H ALA A 53 -14.706 7.226 -10.387 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.184 6.889 -13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.795 9.318 -13.227 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.905 8.403 -12.180 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.597 9.372 -11.459 1.00 0.00 H new ATOM 868 N SER A 54 -11.776 8.300 -11.466 1.00 0.00 N ATOM 869 CA SER A 54 -10.352 8.765 -11.607 1.00 0.00 C ATOM 870 C SER A 54 -9.368 7.609 -11.370 1.00 0.00 C ATOM 871 O SER A 54 -8.351 7.521 -12.035 1.00 0.00 O ATOM 872 CB SER A 54 -10.158 9.850 -10.541 1.00 0.00 C ATOM 873 OG SER A 54 -9.293 10.858 -11.047 1.00 0.00 O ATOM 0 H SER A 54 -12.124 8.246 -10.509 1.00 0.00 H new ATOM 0 HA SER A 54 -10.161 9.142 -12.612 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.120 10.284 -10.268 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.736 9.414 -9.635 1.00 0.00 H new ATOM 0 HG SER A 54 -9.169 11.554 -10.368 1.00 0.00 H new ATOM 879 N LEU A 55 -9.645 6.722 -10.434 1.00 0.00 N ATOM 880 CA LEU A 55 -8.688 5.581 -10.182 1.00 0.00 C ATOM 881 C LEU A 55 -8.495 4.770 -11.470 1.00 0.00 C ATOM 882 O LEU A 55 -7.388 4.396 -11.813 1.00 0.00 O ATOM 883 CB LEU A 55 -9.322 4.694 -9.096 1.00 0.00 C ATOM 884 CG LEU A 55 -8.806 5.094 -7.709 1.00 0.00 C ATOM 885 CD1 LEU A 55 -7.288 4.898 -7.639 1.00 0.00 C ATOM 886 CD2 LEU A 55 -9.142 6.561 -7.424 1.00 0.00 C ATOM 0 H LEU A 55 -10.476 6.735 -9.843 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.714 5.951 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.407 4.789 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.088 3.647 -9.290 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.288 4.463 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.929 5.184 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.047 3.851 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.806 5.519 -8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.771 6.834 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.672 7.195 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.223 6.700 -7.457 1.00 0.00 H new ATOM 898 N LEU A 56 -9.562 4.500 -12.189 1.00 0.00 N ATOM 899 CA LEU A 56 -9.429 3.717 -13.457 1.00 0.00 C ATOM 900 C LEU A 56 -9.638 4.630 -14.676 1.00 0.00 C ATOM 901 O LEU A 56 -10.231 4.223 -15.657 1.00 0.00 O ATOM 902 CB LEU A 56 -10.524 2.647 -13.397 1.00 0.00 C ATOM 903 CG LEU A 56 -10.066 1.404 -14.164 1.00 0.00 C ATOM 904 CD1 LEU A 56 -10.687 0.157 -13.532 1.00 0.00 C ATOM 905 CD2 LEU A 56 -10.514 1.510 -15.625 1.00 0.00 C ATOM 0 H LEU A 56 -10.512 4.787 -11.953 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.438 3.275 -13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.739 2.389 -12.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.448 3.033 -13.827 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.979 1.332 -14.121 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.361 -0.728 -14.078 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.369 0.079 -12.492 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.774 0.230 -13.575 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.188 0.625 -16.171 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.601 1.583 -15.668 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.073 2.398 -16.077 1.00 0.00 H new ATOM 917 N ASN A 57 -9.157 5.858 -14.635 1.00 0.00 N ATOM 918 CA ASN A 57 -9.342 6.760 -15.811 1.00 0.00 C ATOM 919 C ASN A 57 -8.078 6.757 -16.683 1.00 0.00 C ATOM 920 O ASN A 57 -7.034 7.191 -16.240 1.00 0.00 O ATOM 921 CB ASN A 57 -9.581 8.163 -15.231 1.00 0.00 C ATOM 922 CG ASN A 57 -10.738 8.841 -15.976 1.00 0.00 C ATOM 923 OD1 ASN A 57 -11.793 8.258 -16.134 1.00 0.00 O ATOM 924 ND2 ASN A 57 -10.591 10.056 -16.446 1.00 0.00 N ATOM 0 H ASN A 57 -8.652 6.264 -13.847 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.173 6.438 -16.438 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.812 8.093 -14.168 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.676 8.763 -15.322 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.360 10.508 -16.941 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.708 10.550 -16.316 1.00 0.00 H new ATOM 931 N PRO A 58 -8.208 6.308 -17.921 1.00 0.00 N ATOM 932 CA PRO A 58 -7.049 6.321 -18.844 1.00 0.00 C ATOM 933 C PRO A 58 -6.876 7.711 -19.515 1.00 0.00 C ATOM 934 O PRO A 58 -6.103 7.850 -20.445 1.00 0.00 O ATOM 935 CB PRO A 58 -7.416 5.272 -19.889 1.00 0.00 C ATOM 936 CG PRO A 58 -8.913 5.202 -19.884 1.00 0.00 C ATOM 937 CD PRO A 58 -9.408 5.748 -18.566 1.00 0.00 C ATOM 0 HA PRO A 58 -6.108 6.116 -18.334 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.040 5.552 -20.873 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.978 4.305 -19.644 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.323 5.780 -20.712 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.246 4.173 -20.018 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.171 6.512 -18.715 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.857 4.964 -17.956 1.00 0.00 H new ATOM 945 N TYR A 59 -7.576 8.741 -19.062 1.00 0.00 N ATOM 946 CA TYR A 59 -7.434 10.096 -19.682 1.00 0.00 C ATOM 947 C TYR A 59 -6.387 10.945 -18.929 1.00 0.00 C ATOM 948 O TYR A 59 -5.854 11.889 -19.484 1.00 0.00 O ATOM 949 CB TYR A 59 -8.822 10.736 -19.557 1.00 0.00 C ATOM 950 CG TYR A 59 -9.735 10.159 -20.613 1.00 0.00 C ATOM 951 CD1 TYR A 59 -10.117 8.813 -20.547 1.00 0.00 C ATOM 952 CD2 TYR A 59 -10.198 10.968 -21.657 1.00 0.00 C ATOM 953 CE1 TYR A 59 -10.960 8.276 -21.526 1.00 0.00 C ATOM 954 CE2 TYR A 59 -11.042 10.430 -22.636 1.00 0.00 C ATOM 955 CZ TYR A 59 -11.424 9.084 -22.571 1.00 0.00 C ATOM 956 OH TYR A 59 -12.256 8.555 -23.536 1.00 0.00 O ATOM 0 H TYR A 59 -8.238 8.692 -18.288 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.096 10.031 -20.716 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.232 10.551 -18.564 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.749 11.817 -19.675 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.761 8.190 -19.740 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.905 12.006 -21.707 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.253 7.238 -21.476 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.399 11.054 -23.442 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.486 9.251 -24.187 1.00 0.00 H new ATOM 966 N VAL A 60 -6.082 10.634 -17.677 1.00 0.00 N ATOM 967 CA VAL A 60 -5.064 11.461 -16.936 1.00 0.00 C ATOM 968 C VAL A 60 -3.679 10.780 -16.944 1.00 0.00 C ATOM 969 O VAL A 60 -2.945 10.864 -15.978 1.00 0.00 O ATOM 970 CB VAL A 60 -5.588 11.616 -15.493 1.00 0.00 C ATOM 971 CG1 VAL A 60 -6.983 12.254 -15.515 1.00 0.00 C ATOM 972 CG2 VAL A 60 -5.656 10.246 -14.791 1.00 0.00 C ATOM 0 H VAL A 60 -6.486 9.860 -17.150 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.935 12.432 -17.414 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.901 12.258 -14.941 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.350 12.362 -14.494 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.927 13.235 -15.986 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.665 11.619 -16.080 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.028 10.376 -13.775 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.328 9.588 -15.342 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.660 9.804 -14.759 1.00 0.00 H new ATOM 982 N LYS A 61 -3.305 10.121 -18.028 1.00 0.00 N ATOM 983 CA LYS A 61 -1.962 9.454 -18.092 1.00 0.00 C ATOM 984 C LYS A 61 -1.720 8.561 -16.861 1.00 0.00 C ATOM 985 O LYS A 61 -2.588 8.406 -16.023 1.00 0.00 O ATOM 986 CB LYS A 61 -0.949 10.603 -18.127 1.00 0.00 C ATOM 987 CG LYS A 61 -0.851 11.153 -19.550 1.00 0.00 C ATOM 988 CD LYS A 61 0.065 10.254 -20.383 1.00 0.00 C ATOM 989 CE LYS A 61 0.789 11.095 -21.436 1.00 0.00 C ATOM 990 NZ LYS A 61 1.931 11.718 -20.711 1.00 0.00 N ATOM 0 H LYS A 61 -3.875 10.020 -18.868 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.881 8.802 -18.962 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.255 11.393 -17.441 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.027 10.251 -17.794 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.842 11.199 -20.002 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.461 12.171 -19.532 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.790 9.758 -19.737 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.519 9.471 -20.867 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.137 10.477 -22.264 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.129 11.853 -21.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.060 12.696 -21.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.734 11.720 -19.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.798 11.174 -20.895 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.544 7.976 -16.743 1.00 0.00 N ATOM 1005 CA ARG A 62 -0.254 7.103 -15.564 1.00 0.00 C ATOM 1006 C ARG A 62 0.819 7.761 -14.681 1.00 0.00 C ATOM 1007 O ARG A 62 0.601 7.983 -13.504 1.00 0.00 O ATOM 1008 CB ARG A 62 0.264 5.788 -16.152 1.00 0.00 C ATOM 1009 CG ARG A 62 0.424 4.757 -15.032 1.00 0.00 C ATOM 1010 CD ARG A 62 1.856 4.803 -14.493 1.00 0.00 C ATOM 1011 NE ARG A 62 2.569 3.706 -15.204 1.00 0.00 N ATOM 1012 CZ ARG A 62 3.220 3.957 -16.306 1.00 0.00 C ATOM 1013 NH1 ARG A 62 2.573 4.090 -17.430 1.00 0.00 N ATOM 1014 NH2 ARG A 62 4.519 4.077 -16.283 1.00 0.00 N ATOM 0 H ARG A 62 0.220 8.068 -17.412 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.133 6.944 -14.940 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.429 5.417 -16.907 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.220 5.951 -16.650 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.284 4.964 -14.230 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.198 3.759 -15.407 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.321 5.769 -14.690 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.877 4.653 -13.414 1.00 0.00 H new ATOM 0 HE ARG A 62 2.548 2.758 -14.829 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.557 3.998 -17.448 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.082 4.286 -18.292 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.025 3.975 -15.403 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.028 4.273 -17.145 1.00 0.00 H new ATOM 1028 N SER A 63 1.973 8.081 -15.235 1.00 0.00 N ATOM 1029 CA SER A 63 3.045 8.735 -14.399 1.00 0.00 C ATOM 1030 C SER A 63 2.525 10.068 -13.835 1.00 0.00 C ATOM 1031 O SER A 63 2.775 10.396 -12.690 1.00 0.00 O ATOM 1032 CB SER A 63 4.244 8.986 -15.326 1.00 0.00 C ATOM 1033 OG SER A 63 5.008 10.072 -14.822 1.00 0.00 O ATOM 0 H SER A 63 2.217 7.921 -16.212 1.00 0.00 H new ATOM 0 HA SER A 63 3.330 8.101 -13.559 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.862 8.091 -15.390 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.898 9.208 -16.335 1.00 0.00 H new ATOM 0 HG SER A 63 5.775 10.234 -15.411 1.00 0.00 H new ATOM 1039 N VAL A 64 1.796 10.836 -14.623 1.00 0.00 N ATOM 1040 CA VAL A 64 1.262 12.143 -14.097 1.00 0.00 C ATOM 1041 C VAL A 64 0.268 11.862 -12.959 1.00 0.00 C ATOM 1042 O VAL A 64 0.275 12.539 -11.948 1.00 0.00 O ATOM 1043 CB VAL A 64 0.554 12.844 -15.273 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -0.014 14.191 -14.812 1.00 0.00 C ATOM 1045 CG2 VAL A 64 1.558 13.077 -16.410 1.00 0.00 C ATOM 0 H VAL A 64 1.552 10.620 -15.589 1.00 0.00 H new ATOM 0 HA VAL A 64 2.059 12.774 -13.703 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.261 12.213 -15.627 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.513 14.681 -15.648 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.731 14.027 -14.007 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.797 14.824 -14.452 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.057 13.573 -17.242 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.374 13.704 -16.052 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.957 12.120 -16.745 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.583 10.864 -13.107 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.565 10.552 -12.004 1.00 0.00 C ATOM 1057 C LYS A 65 -0.814 10.252 -10.693 1.00 0.00 C ATOM 1058 O LYS A 65 -1.289 10.579 -9.621 1.00 0.00 O ATOM 1059 CB LYS A 65 -2.363 9.314 -12.450 1.00 0.00 C ATOM 1060 CG LYS A 65 -3.783 9.393 -11.881 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.809 8.785 -10.476 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.272 7.327 -10.556 1.00 0.00 C ATOM 1063 NZ LYS A 65 -3.154 6.602 -11.222 1.00 0.00 N ATOM 0 H LYS A 65 -0.641 10.261 -13.928 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.227 11.399 -11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.398 9.262 -13.538 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.870 8.406 -12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.114 10.431 -11.845 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.476 8.860 -12.532 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.817 8.838 -10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.480 9.356 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.470 6.921 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.196 7.237 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.267 5.579 -11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.165 6.808 -12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.248 6.913 -10.816 1.00 0.00 H new ATOM 1077 N VAL A 66 0.358 9.639 -10.760 1.00 0.00 N ATOM 1078 CA VAL A 66 1.118 9.339 -9.489 1.00 0.00 C ATOM 1079 C VAL A 66 1.378 10.647 -8.715 1.00 0.00 C ATOM 1080 O VAL A 66 1.293 10.674 -7.502 1.00 0.00 O ATOM 1081 CB VAL A 66 2.453 8.688 -9.909 1.00 0.00 C ATOM 1082 CG1 VAL A 66 3.304 8.395 -8.667 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.173 7.374 -10.652 1.00 0.00 C ATOM 0 H VAL A 66 0.813 9.339 -11.622 1.00 0.00 H new ATOM 0 HA VAL A 66 0.553 8.673 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 66 2.992 9.373 -10.564 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.245 7.936 -8.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.509 9.326 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.764 7.715 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.116 6.915 -10.948 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.629 6.694 -9.996 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.575 7.578 -11.540 1.00 0.00 H new ATOM 1093 N LYS A 67 1.689 11.731 -9.403 1.00 0.00 N ATOM 1094 CA LYS A 67 1.943 13.027 -8.672 1.00 0.00 C ATOM 1095 C LYS A 67 0.707 13.414 -7.841 1.00 0.00 C ATOM 1096 O LYS A 67 0.834 13.894 -6.729 1.00 0.00 O ATOM 1097 CB LYS A 67 2.213 14.097 -9.744 1.00 0.00 C ATOM 1098 CG LYS A 67 3.057 15.222 -9.140 1.00 0.00 C ATOM 1099 CD LYS A 67 4.500 14.744 -8.975 1.00 0.00 C ATOM 1100 CE LYS A 67 5.371 15.906 -8.489 1.00 0.00 C ATOM 1101 NZ LYS A 67 6.390 15.278 -7.605 1.00 0.00 N ATOM 0 H LYS A 67 1.777 11.776 -10.418 1.00 0.00 H new ATOM 0 HA LYS A 67 2.789 12.933 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.733 13.653 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.271 14.496 -10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.025 16.101 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.648 15.519 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.542 13.921 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.879 14.364 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.840 16.425 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.779 16.644 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.026 16.012 -7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.915 14.797 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.943 14.585 -8.150 1.00 0.00 H new ATOM 1115 N SER A 68 -0.487 13.205 -8.363 1.00 0.00 N ATOM 1116 CA SER A 68 -1.720 13.566 -7.573 1.00 0.00 C ATOM 1117 C SER A 68 -1.741 12.795 -6.242 1.00 0.00 C ATOM 1118 O SER A 68 -2.138 13.330 -5.223 1.00 0.00 O ATOM 1119 CB SER A 68 -2.931 13.167 -8.431 1.00 0.00 C ATOM 1120 OG SER A 68 -4.127 13.532 -7.755 1.00 0.00 O ATOM 0 H SER A 68 -0.660 12.807 -9.286 1.00 0.00 H new ATOM 0 HA SER A 68 -1.737 14.631 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.883 13.662 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.920 12.094 -8.620 1.00 0.00 H new ATOM 0 HG SER A 68 -4.901 13.280 -8.301 1.00 0.00 H new ATOM 1126 N LEU A 69 -1.318 11.543 -6.234 1.00 0.00 N ATOM 1127 CA LEU A 69 -1.325 10.763 -4.943 1.00 0.00 C ATOM 1128 C LEU A 69 -0.444 11.469 -3.902 1.00 0.00 C ATOM 1129 O LEU A 69 -0.822 11.598 -2.753 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.756 9.371 -5.259 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.882 8.460 -5.752 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -1.315 7.430 -6.729 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.512 7.739 -4.559 1.00 0.00 C ATOM 0 H LEU A 69 -0.974 11.036 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.333 10.688 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.022 9.448 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.292 8.945 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.640 9.059 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.117 6.781 -7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.866 7.944 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.557 6.830 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.314 7.090 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.754 7.140 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.917 8.473 -3.863 1.00 0.00 H new ATOM 1145 N SER A 70 0.728 11.936 -4.292 1.00 0.00 N ATOM 1146 CA SER A 70 1.613 12.644 -3.297 1.00 0.00 C ATOM 1147 C SER A 70 0.892 13.889 -2.758 1.00 0.00 C ATOM 1148 O SER A 70 0.933 14.165 -1.573 1.00 0.00 O ATOM 1149 CB SER A 70 2.890 13.054 -4.047 1.00 0.00 C ATOM 1150 OG SER A 70 3.499 14.148 -3.374 1.00 0.00 O ATOM 0 H SER A 70 1.104 11.860 -5.237 1.00 0.00 H new ATOM 0 HA SER A 70 1.852 11.999 -2.451 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.582 12.213 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.650 13.332 -5.073 1.00 0.00 H new ATOM 0 HG SER A 70 4.315 14.411 -3.849 1.00 0.00 H new ATOM 1156 N ASP A 71 0.217 14.636 -3.612 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.518 15.856 -3.114 1.00 0.00 C ATOM 1158 C ASP A 71 -1.726 15.457 -2.238 1.00 0.00 C ATOM 1159 O ASP A 71 -2.226 16.271 -1.483 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.994 16.626 -4.356 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.973 18.127 -4.065 1.00 0.00 C ATOM 1162 OD1 ASP A 71 0.109 18.660 -3.881 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -2.040 18.718 -4.033 1.00 0.00 O ATOM 0 H ASP A 71 0.143 14.459 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 71 0.137 16.469 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.350 16.401 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.002 16.312 -4.628 1.00 0.00 H new ATOM 1168 N MET A 72 -2.183 14.217 -2.293 1.00 0.00 N ATOM 1169 CA MET A 72 -3.330 13.808 -1.417 1.00 0.00 C ATOM 1170 C MET A 72 -2.742 13.331 -0.088 1.00 0.00 C ATOM 1171 O MET A 72 -3.198 13.708 0.975 1.00 0.00 O ATOM 1172 CB MET A 72 -4.051 12.661 -2.142 1.00 0.00 C ATOM 1173 CG MET A 72 -5.342 12.318 -1.397 1.00 0.00 C ATOM 1174 SD MET A 72 -6.104 10.859 -2.152 1.00 0.00 S ATOM 1175 CE MET A 72 -4.743 9.707 -1.844 1.00 0.00 C ATOM 0 H MET A 72 -1.814 13.484 -2.899 1.00 0.00 H new ATOM 0 HA MET A 72 -4.032 14.619 -1.224 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.277 12.950 -3.168 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.404 11.785 -2.193 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.128 12.127 -0.345 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.031 13.162 -1.434 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.120 8.685 -1.864 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.982 9.828 -2.615 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.306 9.913 -0.867 1.00 0.00 H new ATOM 1185 N THR A 73 -1.695 12.528 -0.144 1.00 0.00 N ATOM 1186 CA THR A 73 -1.036 12.057 1.124 1.00 0.00 C ATOM 1187 C THR A 73 -0.618 13.291 1.964 1.00 0.00 C ATOM 1188 O THR A 73 -0.713 13.273 3.176 1.00 0.00 O ATOM 1189 CB THR A 73 0.185 11.209 0.661 1.00 0.00 C ATOM 1190 OG1 THR A 73 -0.238 9.873 0.436 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.303 11.207 1.704 1.00 0.00 C ATOM 0 H THR A 73 -1.273 12.182 -1.006 1.00 0.00 H new ATOM 0 HA THR A 73 -1.689 11.458 1.759 1.00 0.00 H new ATOM 0 HB THR A 73 0.576 11.653 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.526 9.333 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.136 10.604 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.642 12.229 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.929 10.787 2.638 1.00 0.00 H new ATOM 1199 N ALA A 74 -0.164 14.364 1.331 1.00 0.00 N ATOM 1200 CA ALA A 74 0.239 15.585 2.125 1.00 0.00 C ATOM 1201 C ALA A 74 -0.934 16.052 3.007 1.00 0.00 C ATOM 1202 O ALA A 74 -0.738 16.462 4.137 1.00 0.00 O ATOM 1203 CB ALA A 74 0.599 16.679 1.108 1.00 0.00 C ATOM 0 H ALA A 74 -0.057 14.445 0.320 1.00 0.00 H new ATOM 0 HA ALA A 74 1.083 15.365 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.898 17.584 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.423 16.337 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.268 16.894 0.483 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.155 15.977 2.510 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.331 16.405 3.343 1.00 0.00 C ATOM 1211 C LYS A 75 -3.875 15.209 4.148 1.00 0.00 C ATOM 1212 O LYS A 75 -4.356 15.377 5.253 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.393 16.916 2.360 1.00 0.00 C ATOM 1214 CG LYS A 75 -3.825 18.087 1.556 1.00 0.00 C ATOM 1215 CD LYS A 75 -4.749 18.391 0.375 1.00 0.00 C ATOM 1216 CE LYS A 75 -4.544 19.840 -0.073 1.00 0.00 C ATOM 1217 NZ LYS A 75 -3.417 19.785 -1.045 1.00 0.00 N ATOM 0 H LYS A 75 -2.384 15.642 1.574 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.052 17.179 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.697 16.114 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.284 17.232 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.730 18.967 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.825 17.844 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.538 17.711 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.788 18.231 0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.445 20.242 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.305 20.485 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.216 20.742 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.571 19.405 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.676 19.169 -1.842 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.800 14.000 3.615 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.316 12.810 4.384 1.00 0.00 C ATOM 1233 C GLU A 76 -3.506 12.573 5.677 1.00 0.00 C ATOM 1234 O GLU A 76 -3.961 11.875 6.562 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.180 11.591 3.456 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.092 11.771 2.241 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.467 11.171 2.541 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.512 10.039 2.993 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.452 11.855 2.315 1.00 0.00 O ATOM 0 H GLU A 76 -3.410 13.790 2.696 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.350 12.980 4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.145 11.480 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.447 10.680 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.190 12.830 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.654 11.285 1.369 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.307 13.128 5.808 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.495 12.902 7.049 1.00 0.00 C ATOM 1248 C LYS A 77 -1.252 11.397 7.240 1.00 0.00 C ATOM 1249 O LYS A 77 -1.437 10.866 8.318 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.312 13.479 8.218 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.787 14.877 8.583 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.927 15.898 8.513 1.00 0.00 C ATOM 1253 CE LYS A 77 -3.970 15.573 9.586 1.00 0.00 C ATOM 1254 NZ LYS A 77 -4.687 16.856 9.825 1.00 0.00 N ATOM 0 H LYS A 77 -1.866 13.723 5.107 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.520 13.386 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.365 13.537 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.244 12.818 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.360 14.864 9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.988 15.164 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.537 16.905 8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.387 15.878 7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.655 14.795 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.498 15.208 10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.419 16.715 10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.011 17.576 10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.132 17.175 8.941 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.840 10.705 6.194 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.589 9.222 6.324 1.00 0.00 C ATOM 1270 C PHE A 78 0.423 8.945 7.445 1.00 0.00 C ATOM 1271 O PHE A 78 0.813 9.844 8.167 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.049 8.734 4.964 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.185 8.105 4.189 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.897 7.043 4.755 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.534 8.587 2.922 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.958 6.458 4.057 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.598 8.002 2.221 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.310 6.937 2.791 1.00 0.00 C ATOM 0 H PHE A 78 -0.668 11.096 5.268 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.507 8.693 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.374 9.568 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.753 8.011 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.627 6.674 5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.985 9.408 2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.505 5.637 4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.869 8.371 1.243 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.130 6.486 2.252 1.00 0.00 H new ATOM 1288 N SER A 79 0.850 7.710 7.604 1.00 0.00 N ATOM 1289 CA SER A 79 1.822 7.393 8.683 1.00 0.00 C ATOM 1290 C SER A 79 3.215 7.240 8.071 1.00 0.00 C ATOM 1291 O SER A 79 3.387 7.500 6.895 1.00 0.00 O ATOM 1292 CB SER A 79 1.319 6.080 9.298 1.00 0.00 C ATOM 1293 OG SER A 79 2.025 4.985 8.724 1.00 0.00 O ATOM 0 H SER A 79 0.563 6.917 7.031 1.00 0.00 H new ATOM 0 HA SER A 79 1.896 8.171 9.443 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.464 6.093 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.249 5.970 9.121 1.00 0.00 H new ATOM 0 HG SER A 79 1.647 4.778 7.844 1.00 0.00 H new ATOM 1299 N PRO A 80 4.178 6.829 8.866 1.00 0.00 N ATOM 1300 CA PRO A 80 5.544 6.665 8.330 1.00 0.00 C ATOM 1301 C PRO A 80 5.658 5.429 7.419 1.00 0.00 C ATOM 1302 O PRO A 80 6.652 5.275 6.730 1.00 0.00 O ATOM 1303 CB PRO A 80 6.407 6.527 9.570 1.00 0.00 C ATOM 1304 CG PRO A 80 5.497 6.017 10.637 1.00 0.00 C ATOM 1305 CD PRO A 80 4.107 6.480 10.299 1.00 0.00 C ATOM 0 HA PRO A 80 5.846 7.502 7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.234 5.838 9.398 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.844 7.485 9.852 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.538 4.929 10.689 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.801 6.394 11.614 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.371 5.697 10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.816 7.339 10.904 1.00 0.00 H new ATOM 1313 N LEU A 81 4.663 4.560 7.374 1.00 0.00 N ATOM 1314 CA LEU A 81 4.759 3.383 6.473 1.00 0.00 C ATOM 1315 C LEU A 81 3.654 3.440 5.412 1.00 0.00 C ATOM 1316 O LEU A 81 3.236 2.413 4.906 1.00 0.00 O ATOM 1317 CB LEU A 81 4.565 2.168 7.378 1.00 0.00 C ATOM 1318 CG LEU A 81 5.937 1.581 7.739 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.937 1.118 9.196 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.243 0.388 6.828 1.00 0.00 C ATOM 0 H LEU A 81 3.804 4.624 7.920 1.00 0.00 H new ATOM 0 HA LEU A 81 5.711 3.347 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.030 2.456 8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.957 1.417 6.873 1.00 0.00 H new ATOM 0 HG LEU A 81 6.699 2.349 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.913 0.703 9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.726 1.966 9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.171 0.355 9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.217 -0.027 7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.477 -0.376 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.253 0.717 5.789 1.00 0.00 H new ATOM 1332 N THR A 82 3.170 4.621 5.059 1.00 0.00 N ATOM 1333 CA THR A 82 2.103 4.690 4.028 1.00 0.00 C ATOM 1334 C THR A 82 2.369 5.795 2.987 1.00 0.00 C ATOM 1335 O THR A 82 1.458 6.229 2.307 1.00 0.00 O ATOM 1336 CB THR A 82 0.803 4.937 4.806 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.912 4.373 6.120 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.353 4.272 4.039 1.00 0.00 C ATOM 0 H THR A 82 3.471 5.518 5.441 1.00 0.00 H new ATOM 0 HA THR A 82 2.054 3.770 3.446 1.00 0.00 H new ATOM 0 HB THR A 82 0.617 6.007 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.452 3.508 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.288 4.436 4.576 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.426 4.707 3.042 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.166 3.202 3.955 1.00 0.00 H new ATOM 1346 N SER A 83 3.610 6.217 2.807 1.00 0.00 N ATOM 1347 CA SER A 83 3.908 7.235 1.758 1.00 0.00 C ATOM 1348 C SER A 83 5.012 6.659 0.867 1.00 0.00 C ATOM 1349 O SER A 83 6.022 7.277 0.595 1.00 0.00 O ATOM 1350 CB SER A 83 4.364 8.494 2.496 1.00 0.00 C ATOM 1351 OG SER A 83 5.075 9.334 1.596 1.00 0.00 O ATOM 0 H SER A 83 4.417 5.897 3.342 1.00 0.00 H new ATOM 0 HA SER A 83 3.053 7.480 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.502 9.024 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.000 8.225 3.340 1.00 0.00 H new ATOM 0 HG SER A 83 5.842 8.846 1.229 1.00 0.00 H new ATOM 1357 N ASN A 84 4.785 5.454 0.420 1.00 0.00 N ATOM 1358 CA ASN A 84 5.751 4.727 -0.466 1.00 0.00 C ATOM 1359 C ASN A 84 4.971 3.569 -1.096 1.00 0.00 C ATOM 1360 O ASN A 84 4.832 3.481 -2.302 1.00 0.00 O ATOM 1361 CB ASN A 84 6.852 4.210 0.464 1.00 0.00 C ATOM 1362 CG ASN A 84 7.943 5.278 0.609 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.273 5.954 -0.346 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.525 5.465 1.769 1.00 0.00 N ATOM 0 H ASN A 84 3.942 4.923 0.638 1.00 0.00 H new ATOM 0 HA ASN A 84 6.187 5.338 -1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.433 3.968 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.279 3.291 0.063 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.251 6.175 1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.252 4.901 2.573 1.00 0.00 H new ATOM 1371 N LEU A 85 4.384 2.723 -0.263 1.00 0.00 N ATOM 1372 CA LEU A 85 3.523 1.623 -0.801 1.00 0.00 C ATOM 1373 C LEU A 85 2.395 2.247 -1.657 1.00 0.00 C ATOM 1374 O LEU A 85 1.916 1.620 -2.584 1.00 0.00 O ATOM 1375 CB LEU A 85 2.935 0.885 0.426 1.00 0.00 C ATOM 1376 CG LEU A 85 1.942 -0.191 -0.029 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.697 -1.332 -0.717 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.192 -0.739 1.189 1.00 0.00 C ATOM 0 H LEU A 85 4.468 2.753 0.753 1.00 0.00 H new ATOM 0 HA LEU A 85 4.083 0.930 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.738 0.428 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.435 1.597 1.083 1.00 0.00 H new ATOM 0 HG LEU A 85 1.232 0.247 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.988 -2.095 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.231 -0.944 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.409 -1.770 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.486 -1.504 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.905 -1.175 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.651 0.071 1.678 1.00 0.00 H new ATOM 1390 N ILE A 86 1.969 3.483 -1.374 1.00 0.00 N ATOM 1391 CA ILE A 86 0.886 4.086 -2.226 1.00 0.00 C ATOM 1392 C ILE A 86 1.416 4.257 -3.660 1.00 0.00 C ATOM 1393 O ILE A 86 0.719 3.970 -4.616 1.00 0.00 O ATOM 1394 CB ILE A 86 0.513 5.448 -1.604 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.126 5.203 -0.228 1.00 0.00 C ATOM 1396 CG2 ILE A 86 -0.483 6.190 -2.519 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -0.511 6.536 0.419 1.00 0.00 C ATOM 0 H ILE A 86 2.317 4.070 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 86 0.002 3.449 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 86 1.408 6.061 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.009 4.574 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.571 4.666 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.741 7.150 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.027 6.354 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.386 5.590 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.963 6.350 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.380 7.151 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.225 7.057 -0.219 1.00 0.00 H new ATOM 1409 N ASN A 87 2.647 4.708 -3.822 1.00 0.00 N ATOM 1410 CA ASN A 87 3.201 4.870 -5.214 1.00 0.00 C ATOM 1411 C ASN A 87 3.202 3.504 -5.919 1.00 0.00 C ATOM 1412 O ASN A 87 2.755 3.384 -7.043 1.00 0.00 O ATOM 1413 CB ASN A 87 4.638 5.394 -5.068 1.00 0.00 C ATOM 1414 CG ASN A 87 5.039 6.153 -6.339 1.00 0.00 C ATOM 1415 OD1 ASN A 87 4.808 5.681 -7.435 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.634 7.318 -6.246 1.00 0.00 N ATOM 0 H ASN A 87 3.281 4.966 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 87 2.601 5.562 -5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.710 6.051 -4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.323 4.564 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.901 7.823 -7.091 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.830 7.719 -5.329 1.00 0.00 H new ATOM 1423 N LEU A 88 3.685 2.466 -5.258 1.00 0.00 N ATOM 1424 CA LEU A 88 3.692 1.097 -5.900 1.00 0.00 C ATOM 1425 C LEU A 88 2.279 0.753 -6.398 1.00 0.00 C ATOM 1426 O LEU A 88 2.112 0.229 -7.483 1.00 0.00 O ATOM 1427 CB LEU A 88 4.118 0.093 -4.814 1.00 0.00 C ATOM 1428 CG LEU A 88 5.608 -0.220 -4.959 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.176 -0.623 -3.597 1.00 0.00 C ATOM 1430 CD2 LEU A 88 5.793 -1.374 -5.950 1.00 0.00 C ATOM 0 H LEU A 88 4.070 2.505 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 88 4.374 1.066 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.917 0.505 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.534 -0.823 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 88 6.132 0.662 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.238 -0.847 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.043 0.196 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.652 -1.506 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.855 -1.598 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.270 -2.257 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.386 -1.089 -6.920 1.00 0.00 H new ATOM 1442 N LEU A 89 1.258 1.058 -5.618 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.144 0.754 -6.075 1.00 0.00 C ATOM 1444 C LEU A 89 -0.433 1.525 -7.369 1.00 0.00 C ATOM 1445 O LEU A 89 -1.024 0.995 -8.290 1.00 0.00 O ATOM 1446 CB LEU A 89 -1.089 1.215 -4.954 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.926 0.292 -3.746 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.741 0.836 -2.569 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.426 -1.107 -4.112 1.00 0.00 C ATOM 0 H LEU A 89 1.333 1.497 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.279 -0.309 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.864 2.244 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.122 1.198 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 89 0.125 0.243 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.623 0.176 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.387 1.834 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.794 0.885 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.312 -1.770 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.478 -1.055 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.845 -1.494 -4.949 1.00 0.00 H new ATOM 1461 N ALA A 90 0.001 2.767 -7.459 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.233 3.545 -8.714 1.00 0.00 C ATOM 1463 C ALA A 90 1.071 3.647 -9.528 1.00 0.00 C ATOM 1464 O ALA A 90 1.261 4.595 -10.265 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.693 4.933 -8.260 1.00 0.00 C ATOM 0 H ALA A 90 0.501 3.266 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.974 3.068 -9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.883 5.557 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.608 4.840 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.084 5.392 -7.648 1.00 0.00 H new ATOM 1471 N GLU A 91 1.968 2.678 -9.416 1.00 0.00 N ATOM 1472 CA GLU A 91 3.241 2.752 -10.210 1.00 0.00 C ATOM 1473 C GLU A 91 3.096 1.934 -11.502 1.00 0.00 C ATOM 1474 O GLU A 91 3.484 2.381 -12.565 1.00 0.00 O ATOM 1475 CB GLU A 91 4.339 2.155 -9.318 1.00 0.00 C ATOM 1476 CG GLU A 91 5.687 2.236 -10.037 1.00 0.00 C ATOM 1477 CD GLU A 91 6.820 2.073 -9.021 1.00 0.00 C ATOM 1478 OE1 GLU A 91 7.000 2.971 -8.216 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.487 1.053 -9.066 1.00 0.00 O ATOM 0 H GLU A 91 1.871 1.856 -8.819 1.00 0.00 H new ATOM 0 HA GLU A 91 3.480 3.777 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.387 2.695 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.104 1.117 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.752 1.458 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.780 3.193 -10.551 1.00 0.00 H new ATOM 1486 N ASN A 92 2.536 0.742 -11.426 1.00 0.00 N ATOM 1487 CA ASN A 92 2.370 -0.084 -12.659 1.00 0.00 C ATOM 1488 C ASN A 92 0.908 -0.544 -12.815 1.00 0.00 C ATOM 1489 O ASN A 92 0.652 -1.613 -13.337 1.00 0.00 O ATOM 1490 CB ASN A 92 3.290 -1.287 -12.454 1.00 0.00 C ATOM 1491 CG ASN A 92 4.746 -0.811 -12.381 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.102 0.174 -12.998 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.614 -1.467 -11.649 1.00 0.00 N ATOM 0 H ASN A 92 2.191 0.314 -10.567 1.00 0.00 H new ATOM 0 HA ASN A 92 2.618 0.476 -13.561 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.021 -1.812 -11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.168 -1.995 -13.274 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.582 -1.150 -11.599 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.321 -2.294 -11.129 1.00 0.00 H new ATOM 1500 N GLY A 93 -0.055 0.245 -12.372 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.479 -0.168 -12.506 1.00 0.00 C ATOM 1502 C GLY A 93 -1.834 -1.124 -11.364 1.00 0.00 C ATOM 1503 O GLY A 93 -2.407 -2.174 -11.589 1.00 0.00 O ATOM 0 H GLY A 93 0.094 1.151 -11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.128 0.707 -12.479 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.640 -0.655 -13.468 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.498 -0.777 -10.135 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.827 -1.688 -8.997 1.00 0.00 C ATOM 1509 C ARG A 94 -2.935 -1.103 -8.098 1.00 0.00 C ATOM 1510 O ARG A 94 -3.054 -1.488 -6.949 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.524 -1.844 -8.210 1.00 0.00 C ATOM 1512 CG ARG A 94 0.248 -3.058 -8.736 1.00 0.00 C ATOM 1513 CD ARG A 94 0.968 -3.750 -7.576 1.00 0.00 C ATOM 1514 NE ARG A 94 1.983 -4.628 -8.222 1.00 0.00 N ATOM 1515 CZ ARG A 94 1.715 -5.887 -8.434 1.00 0.00 C ATOM 1516 NH1 ARG A 94 0.790 -6.224 -9.291 1.00 0.00 N ATOM 1517 NH2 ARG A 94 2.373 -6.812 -7.788 1.00 0.00 N ATOM 0 H ARG A 94 -1.017 0.086 -9.881 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.207 -2.643 -9.359 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.082 -0.944 -8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.740 -1.969 -7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.436 -3.755 -9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.970 -2.744 -9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.439 -3.023 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.273 -4.330 -6.970 1.00 0.00 H new ATOM 0 HE ARG A 94 2.887 -4.245 -8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.275 -5.503 -9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.582 -7.209 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.096 -6.550 -7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.164 -7.797 -7.953 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.769 -0.207 -8.601 1.00 0.00 N ATOM 1532 CA LEU A 95 -4.872 0.338 -7.747 1.00 0.00 C ATOM 1533 C LEU A 95 -6.218 -0.261 -8.198 1.00 0.00 C ATOM 1534 O LEU A 95 -7.249 0.374 -8.106 1.00 0.00 O ATOM 1535 CB LEU A 95 -4.846 1.857 -7.943 1.00 0.00 C ATOM 1536 CG LEU A 95 -3.798 2.475 -7.012 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.550 3.930 -7.412 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.302 2.430 -5.566 1.00 0.00 C ATOM 0 H LEU A 95 -3.729 0.161 -9.552 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.744 0.084 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.613 2.096 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.829 2.278 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.870 1.909 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.804 4.368 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.189 3.968 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.480 4.493 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.554 2.870 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.232 2.993 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.479 1.395 -5.274 1.00 0.00 H new ATOM 1550 N THR A 96 -6.214 -1.498 -8.654 1.00 0.00 N ATOM 1551 CA THR A 96 -7.484 -2.162 -9.074 1.00 0.00 C ATOM 1552 C THR A 96 -7.795 -3.253 -8.044 1.00 0.00 C ATOM 1553 O THR A 96 -8.863 -3.277 -7.460 1.00 0.00 O ATOM 1554 CB THR A 96 -7.203 -2.770 -10.450 1.00 0.00 C ATOM 1555 OG1 THR A 96 -6.193 -2.015 -11.104 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.483 -2.747 -11.283 1.00 0.00 C ATOM 0 H THR A 96 -5.377 -2.074 -8.751 1.00 0.00 H new ATOM 0 HA THR A 96 -8.334 -1.482 -9.130 1.00 0.00 H new ATOM 0 HB THR A 96 -6.864 -3.799 -10.334 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.012 -2.405 -11.985 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.286 -3.179 -12.264 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.256 -3.327 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.822 -1.718 -11.401 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.842 -4.128 -7.773 1.00 0.00 N ATOM 1565 CA ASN A 97 -7.058 -5.173 -6.734 1.00 0.00 C ATOM 1566 C ASN A 97 -6.338 -4.753 -5.436 1.00 0.00 C ATOM 1567 O ASN A 97 -5.828 -5.589 -4.713 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.439 -6.456 -7.301 1.00 0.00 C ATOM 1569 CG ASN A 97 -7.235 -6.908 -8.533 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -8.146 -7.703 -8.417 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.931 -6.434 -9.717 1.00 0.00 N ATOM 0 H ASN A 97 -5.931 -4.155 -8.231 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.113 -5.315 -6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.398 -6.281 -7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.444 -7.240 -6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.459 -6.733 -10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.167 -5.766 -9.818 1.00 0.00 H new ATOM 1578 N THR A 98 -6.290 -3.457 -5.126 1.00 0.00 N ATOM 1579 CA THR A 98 -5.599 -3.018 -3.870 1.00 0.00 C ATOM 1580 C THR A 98 -6.260 -3.583 -2.588 1.00 0.00 C ATOM 1581 O THR A 98 -5.542 -3.880 -1.652 1.00 0.00 O ATOM 1582 CB THR A 98 -5.584 -1.472 -3.857 1.00 0.00 C ATOM 1583 OG1 THR A 98 -4.777 -1.023 -2.778 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.997 -0.915 -3.695 1.00 0.00 C ATOM 0 H THR A 98 -6.696 -2.707 -5.686 1.00 0.00 H new ATOM 0 HA THR A 98 -4.583 -3.414 -3.868 1.00 0.00 H new ATOM 0 HB THR A 98 -5.179 -1.119 -4.805 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.269 -0.353 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.960 0.174 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.618 -1.252 -4.525 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.422 -1.269 -2.756 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.585 -3.742 -2.540 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.201 -4.301 -1.300 1.00 0.00 C ATOM 1594 C PRO A 99 -7.668 -5.719 -1.037 1.00 0.00 C ATOM 1595 O PRO A 99 -7.411 -6.080 0.096 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.701 -4.294 -1.596 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.781 -4.299 -3.082 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.627 -3.458 -3.553 1.00 0.00 C ATOM 0 HA PRO A 99 -7.967 -3.729 -0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.195 -5.166 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.186 -3.414 -1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.712 -5.314 -3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.731 -3.888 -3.425 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.304 -3.738 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.884 -2.399 -3.585 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.464 -6.518 -2.070 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.904 -7.901 -1.840 1.00 0.00 C ATOM 1608 C ALA A 100 -5.523 -7.788 -1.165 1.00 0.00 C ATOM 1609 O ALA A 100 -5.175 -8.594 -0.323 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.766 -8.562 -3.221 1.00 0.00 C ATOM 0 H ALA A 100 -7.656 -6.279 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.553 -8.491 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.363 -9.568 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.745 -8.616 -3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.092 -7.971 -3.842 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.735 -6.784 -1.517 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.383 -6.629 -0.866 1.00 0.00 C ATOM 1618 C VAL A 101 -3.558 -6.247 0.616 1.00 0.00 C ATOM 1619 O VAL A 101 -2.808 -6.695 1.464 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.652 -5.496 -1.614 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.240 -5.329 -1.041 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.560 -5.831 -3.108 1.00 0.00 C ATOM 0 H VAL A 101 -4.966 -6.077 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.817 -7.559 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.209 -4.568 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.725 -4.528 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.304 -5.081 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.686 -6.260 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.042 -5.026 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.009 -6.762 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.564 -5.943 -3.518 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.539 -5.422 0.937 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.738 -5.024 2.379 1.00 0.00 C ATOM 1634 C ILE A 102 -5.292 -6.208 3.194 1.00 0.00 C ATOM 1635 O ILE A 102 -4.942 -6.379 4.346 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.742 -3.856 2.380 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.187 -2.703 1.538 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.969 -3.372 3.815 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.333 -2.008 0.801 1.00 0.00 C ATOM 0 H ILE A 102 -5.200 -5.013 0.276 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.793 -4.730 2.836 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.688 -4.195 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.667 -1.990 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.457 -3.081 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.680 -2.546 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.366 -4.190 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.023 -3.035 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.936 -1.188 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.834 -2.724 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.047 -1.616 1.525 1.00 0.00 H new ATOM 1651 N SER A 103 -6.154 -7.028 2.616 1.00 0.00 N ATOM 1652 CA SER A 103 -6.710 -8.195 3.399 1.00 0.00 C ATOM 1653 C SER A 103 -5.560 -9.091 3.875 1.00 0.00 C ATOM 1654 O SER A 103 -5.511 -9.478 5.028 1.00 0.00 O ATOM 1655 CB SER A 103 -7.632 -8.974 2.448 1.00 0.00 C ATOM 1656 OG SER A 103 -6.854 -9.883 1.681 1.00 0.00 O ATOM 0 H SER A 103 -6.491 -6.943 1.657 1.00 0.00 H new ATOM 0 HA SER A 103 -7.260 -7.856 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.388 -9.515 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.161 -8.285 1.790 1.00 0.00 H new ATOM 0 HG SER A 103 -6.317 -9.385 1.029 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.620 -9.410 3.006 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.460 -10.270 3.445 1.00 0.00 C ATOM 1664 C ALA A 104 -2.730 -9.600 4.627 1.00 0.00 C ATOM 1665 O ALA A 104 -2.227 -10.272 5.508 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.513 -10.391 2.241 1.00 0.00 C ATOM 0 H ALA A 104 -4.603 -9.119 2.029 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.801 -11.252 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.656 -11.007 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.042 -10.853 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.169 -9.399 1.948 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.670 -8.278 4.658 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.971 -7.583 5.799 1.00 0.00 C ATOM 1674 C PHE A 105 -2.587 -8.010 7.139 1.00 0.00 C ATOM 1675 O PHE A 105 -1.880 -8.209 8.109 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.184 -6.074 5.589 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.167 -5.300 6.391 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.193 -5.339 7.790 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.197 -4.538 5.733 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.250 -4.619 8.526 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.746 -3.817 6.471 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.717 -3.859 7.867 1.00 0.00 C ATOM 0 H PHE A 105 -3.070 -7.660 3.952 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.912 -7.838 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.091 -5.828 4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.192 -5.793 5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.942 -5.926 8.300 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.176 -4.506 4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.269 -4.650 9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.496 -3.229 5.963 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.445 -3.302 8.438 1.00 0.00 H new ATOM 1692 N SER A 106 -3.897 -8.145 7.210 1.00 0.00 N ATOM 1693 CA SER A 106 -4.529 -8.555 8.517 1.00 0.00 C ATOM 1694 C SER A 106 -4.173 -10.011 8.851 1.00 0.00 C ATOM 1695 O SER A 106 -3.960 -10.345 10.003 1.00 0.00 O ATOM 1696 CB SER A 106 -6.047 -8.399 8.350 1.00 0.00 C ATOM 1697 OG SER A 106 -6.711 -9.232 9.292 1.00 0.00 O ATOM 0 H SER A 106 -4.545 -7.993 6.437 1.00 0.00 H new ATOM 0 HA SER A 106 -4.164 -7.934 9.335 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.336 -7.359 8.500 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.343 -8.669 7.336 1.00 0.00 H new ATOM 0 HG SER A 106 -7.681 -9.134 9.189 1.00 0.00 H new ATOM 1703 N THR A 107 -4.084 -10.879 7.866 1.00 0.00 N ATOM 1704 CA THR A 107 -3.710 -12.301 8.173 1.00 0.00 C ATOM 1705 C THR A 107 -2.190 -12.407 8.368 1.00 0.00 C ATOM 1706 O THR A 107 -1.725 -13.232 9.132 1.00 0.00 O ATOM 1707 CB THR A 107 -4.163 -13.151 6.975 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.150 -12.442 6.239 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.751 -14.473 7.475 1.00 0.00 C ATOM 0 H THR A 107 -4.250 -10.670 6.882 1.00 0.00 H new ATOM 0 HA THR A 107 -4.187 -12.648 9.090 1.00 0.00 H new ATOM 0 HB THR A 107 -3.307 -13.357 6.333 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.438 -12.982 5.474 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.071 -15.074 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.994 -15.018 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.607 -14.270 8.119 1.00 0.00 H new ATOM 1717 N MET A 108 -1.405 -11.572 7.706 1.00 0.00 N ATOM 1718 CA MET A 108 0.078 -11.649 7.904 1.00 0.00 C ATOM 1719 C MET A 108 0.456 -11.003 9.244 1.00 0.00 C ATOM 1720 O MET A 108 1.357 -11.471 9.917 1.00 0.00 O ATOM 1721 CB MET A 108 0.720 -10.884 6.742 1.00 0.00 C ATOM 1722 CG MET A 108 0.525 -11.672 5.442 1.00 0.00 C ATOM 1723 SD MET A 108 0.302 -10.527 4.057 1.00 0.00 S ATOM 1724 CE MET A 108 0.525 -11.733 2.727 1.00 0.00 C ATOM 0 H MET A 108 -1.725 -10.858 7.052 1.00 0.00 H new ATOM 0 HA MET A 108 0.423 -12.683 7.923 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.271 -9.895 6.651 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.783 -10.735 6.934 1.00 0.00 H new ATOM 0 HG2 MET A 108 1.389 -12.312 5.261 1.00 0.00 H new ATOM 0 HG3 MET A 108 -0.343 -12.325 5.529 1.00 0.00 H new ATOM 0 HE1 MET A 108 0.479 -11.225 1.764 1.00 0.00 H new ATOM 0 HE2 MET A 108 1.495 -12.219 2.835 1.00 0.00 H new ATOM 0 HE3 MET A 108 -0.265 -12.483 2.779 1.00 0.00 H new ATOM 1734 N MET A 109 -0.221 -9.940 9.654 1.00 0.00 N ATOM 1735 CA MET A 109 0.142 -9.314 10.973 1.00 0.00 C ATOM 1736 C MET A 109 -0.088 -10.324 12.112 1.00 0.00 C ATOM 1737 O MET A 109 0.632 -10.315 13.085 1.00 0.00 O ATOM 1738 CB MET A 109 -0.734 -8.057 11.155 1.00 0.00 C ATOM 1739 CG MET A 109 -2.217 -8.433 11.198 1.00 0.00 C ATOM 1740 SD MET A 109 -3.166 -7.050 11.877 1.00 0.00 S ATOM 1741 CE MET A 109 -4.286 -8.028 12.909 1.00 0.00 C ATOM 0 H MET A 109 -0.985 -9.494 9.147 1.00 0.00 H new ATOM 0 HA MET A 109 1.195 -9.031 10.994 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.457 -7.545 12.076 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.554 -7.360 10.336 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.572 -8.675 10.196 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.361 -9.323 11.811 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.974 -7.363 13.431 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.852 -8.715 12.281 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.707 -8.596 13.638 1.00 0.00 H new ATOM 1751 N SER A 110 -1.056 -11.216 12.009 1.00 0.00 N ATOM 1752 CA SER A 110 -1.244 -12.212 13.129 1.00 0.00 C ATOM 1753 C SER A 110 0.030 -13.058 13.300 1.00 0.00 C ATOM 1754 O SER A 110 0.367 -13.445 14.403 1.00 0.00 O ATOM 1755 CB SER A 110 -2.435 -13.103 12.747 1.00 0.00 C ATOM 1756 OG SER A 110 -3.579 -12.288 12.527 1.00 0.00 O ATOM 0 H SER A 110 -1.705 -11.299 11.226 1.00 0.00 H new ATOM 0 HA SER A 110 -1.434 -11.705 14.075 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.203 -13.675 11.848 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.634 -13.823 13.540 1.00 0.00 H new ATOM 0 HG SER A 110 -4.341 -12.853 12.281 1.00 0.00 H new ATOM 1762 N VAL A 111 0.752 -13.338 12.230 1.00 0.00 N ATOM 1763 CA VAL A 111 2.012 -14.147 12.380 1.00 0.00 C ATOM 1764 C VAL A 111 3.179 -13.275 12.899 1.00 0.00 C ATOM 1765 O VAL A 111 4.225 -13.801 13.234 1.00 0.00 O ATOM 1766 CB VAL A 111 2.341 -14.710 10.986 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.595 -15.587 11.064 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.165 -15.557 10.485 1.00 0.00 C ATOM 0 H VAL A 111 0.528 -13.047 11.278 1.00 0.00 H new ATOM 0 HA VAL A 111 1.870 -14.946 13.108 1.00 0.00 H new ATOM 0 HB VAL A 111 2.518 -13.882 10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.824 -15.983 10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.435 -14.990 11.419 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.419 -16.412 11.754 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.398 -15.956 9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.989 -16.381 11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.270 -14.937 10.424 1.00 0.00 H new ATOM 1778 N HIS A 112 3.025 -11.961 12.993 1.00 0.00 N ATOM 1779 CA HIS A 112 4.143 -11.122 13.515 1.00 0.00 C ATOM 1780 C HIS A 112 4.027 -10.992 15.057 1.00 0.00 C ATOM 1781 O HIS A 112 5.010 -10.732 15.726 1.00 0.00 O ATOM 1782 CB HIS A 112 4.019 -9.766 12.760 1.00 0.00 C ATOM 1783 CG HIS A 112 3.462 -8.668 13.636 1.00 0.00 C ATOM 1784 ND1 HIS A 112 2.189 -8.704 14.172 1.00 0.00 N ATOM 1785 CD2 HIS A 112 4.021 -7.519 14.085 1.00 0.00 C ATOM 1786 CE1 HIS A 112 2.030 -7.599 14.915 1.00 0.00 C ATOM 1787 NE2 HIS A 112 3.123 -6.835 14.898 1.00 0.00 N ATOM 0 H HIS A 112 2.181 -11.451 12.732 1.00 0.00 H new ATOM 0 HA HIS A 112 5.130 -11.551 13.341 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.000 -9.469 12.389 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.375 -9.895 11.890 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.496 -9.438 14.029 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.019 -7.183 13.846 1.00 0.00 H new ATOM 0 HE1 HIS A 112 1.129 -7.358 15.459 1.00 0.00 H new ATOM 1795 N ARG A 113 2.841 -11.171 15.628 1.00 0.00 N ATOM 1796 CA ARG A 113 2.715 -11.050 17.118 1.00 0.00 C ATOM 1797 C ARG A 113 2.935 -12.419 17.787 1.00 0.00 C ATOM 1798 O ARG A 113 3.467 -12.492 18.879 1.00 0.00 O ATOM 1799 CB ARG A 113 1.291 -10.543 17.388 1.00 0.00 C ATOM 1800 CG ARG A 113 1.214 -9.966 18.804 1.00 0.00 C ATOM 1801 CD ARG A 113 0.251 -8.779 18.821 1.00 0.00 C ATOM 1802 NE ARG A 113 0.422 -8.165 20.167 1.00 0.00 N ATOM 1803 CZ ARG A 113 -0.268 -8.612 21.180 1.00 0.00 C ATOM 1804 NH1 ARG A 113 0.086 -9.719 21.773 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -1.312 -7.952 21.601 1.00 0.00 N ATOM 0 H ARG A 113 1.978 -11.391 15.131 1.00 0.00 H new ATOM 0 HA ARG A 113 3.461 -10.368 17.526 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.021 -9.780 16.658 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.576 -11.358 17.277 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.876 -10.732 19.502 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.204 -9.649 19.133 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.487 -8.068 18.030 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.778 -9.103 18.662 1.00 0.00 H new ATOM 0 HE ARG A 113 1.078 -7.395 20.297 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.902 -10.235 21.445 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.454 -10.068 22.565 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.589 -7.086 21.138 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.851 -8.302 22.393 1.00 0.00 H new ATOM 1819 N GLY A 114 2.531 -13.507 17.153 1.00 0.00 N ATOM 1820 CA GLY A 114 2.729 -14.849 17.776 1.00 0.00 C ATOM 1821 C GLY A 114 3.908 -15.567 17.102 1.00 0.00 C ATOM 1822 O GLY A 114 3.848 -16.756 16.849 1.00 0.00 O ATOM 0 H GLY A 114 2.078 -13.514 16.239 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.920 -14.740 18.844 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.822 -15.445 17.674 1.00 0.00 H new ATOM 2000 N GLU B 7 9.720 -9.044 -6.271 1.00 0.00 N ATOM 2001 CA GLU B 7 9.646 -8.669 -4.819 1.00 0.00 C ATOM 2002 C GLU B 7 10.521 -7.437 -4.555 1.00 0.00 C ATOM 2003 O GLU B 7 11.309 -7.415 -3.629 1.00 0.00 O ATOM 2004 CB GLU B 7 10.164 -9.886 -4.040 1.00 0.00 C ATOM 2005 CG GLU B 7 9.308 -11.112 -4.372 1.00 0.00 C ATOM 2006 CD GLU B 7 10.006 -12.375 -3.863 1.00 0.00 C ATOM 2007 OE1 GLU B 7 11.181 -12.534 -4.148 1.00 0.00 O ATOM 2008 OE2 GLU B 7 9.352 -13.161 -3.197 1.00 0.00 O ATOM 0 HA GLU B 7 8.631 -8.415 -4.514 1.00 0.00 H new ATOM 0 HB2 GLU B 7 11.206 -10.078 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.131 -9.686 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU B 7 8.324 -11.017 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU B 7 9.152 -11.179 -5.449 1.00 0.00 H new ATOM 2015 N VAL B 8 10.387 -6.403 -5.366 1.00 0.00 N ATOM 2016 CA VAL B 8 11.225 -5.167 -5.146 1.00 0.00 C ATOM 2017 C VAL B 8 10.973 -4.619 -3.732 1.00 0.00 C ATOM 2018 O VAL B 8 11.896 -4.217 -3.048 1.00 0.00 O ATOM 2019 CB VAL B 8 10.799 -4.138 -6.208 1.00 0.00 C ATOM 2020 CG1 VAL B 8 11.602 -2.846 -6.026 1.00 0.00 C ATOM 2021 CG2 VAL B 8 11.070 -4.708 -7.605 1.00 0.00 C ATOM 0 H VAL B 8 9.745 -6.360 -6.158 1.00 0.00 H new ATOM 0 HA VAL B 8 12.289 -5.387 -5.236 1.00 0.00 H new ATOM 0 HB VAL B 8 9.736 -3.924 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL B 8 11.298 -2.119 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL B 8 11.415 -2.438 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL B 8 12.665 -3.060 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.769 -3.981 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL B 8 12.134 -4.922 -7.711 1.00 0.00 H new ATOM 0 HG23 VAL B 8 10.500 -5.627 -7.740 1.00 0.00 H new ATOM 2031 N SER B 9 9.734 -4.612 -3.279 1.00 0.00 N ATOM 2032 CA SER B 9 9.453 -4.100 -1.889 1.00 0.00 C ATOM 2033 C SER B 9 10.268 -4.902 -0.856 1.00 0.00 C ATOM 2034 O SER B 9 10.710 -4.361 0.140 1.00 0.00 O ATOM 2035 CB SER B 9 7.949 -4.294 -1.639 1.00 0.00 C ATOM 2036 OG SER B 9 7.495 -3.312 -0.716 1.00 0.00 O ATOM 0 H SER B 9 8.918 -4.932 -3.801 1.00 0.00 H new ATOM 0 HA SER B 9 9.733 -3.051 -1.794 1.00 0.00 H new ATOM 0 HB2 SER B 9 7.399 -4.210 -2.576 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.760 -5.293 -1.247 1.00 0.00 H new ATOM 0 HG SER B 9 6.536 -3.432 -0.556 1.00 0.00 H new ATOM 2042 N SER B 10 10.475 -6.189 -1.083 1.00 0.00 N ATOM 2043 CA SER B 10 11.272 -7.000 -0.094 1.00 0.00 C ATOM 2044 C SER B 10 12.723 -6.500 -0.053 1.00 0.00 C ATOM 2045 O SER B 10 13.251 -6.212 1.005 1.00 0.00 O ATOM 2046 CB SER B 10 11.230 -8.455 -0.580 1.00 0.00 C ATOM 2047 OG SER B 10 10.072 -9.093 -0.056 1.00 0.00 O ATOM 0 H SER B 10 10.133 -6.703 -1.895 1.00 0.00 H new ATOM 0 HA SER B 10 10.859 -6.910 0.911 1.00 0.00 H new ATOM 0 HB2 SER B 10 11.215 -8.486 -1.669 1.00 0.00 H new ATOM 0 HB3 SER B 10 12.127 -8.984 -0.259 1.00 0.00 H new ATOM 0 HG SER B 10 10.042 -10.022 -0.366 1.00 0.00 H new ATOM 2053 N ILE B 11 13.377 -6.392 -1.192 1.00 0.00 N ATOM 2054 CA ILE B 11 14.803 -5.900 -1.182 1.00 0.00 C ATOM 2055 C ILE B 11 14.875 -4.456 -0.643 1.00 0.00 C ATOM 2056 O ILE B 11 15.880 -4.063 -0.079 1.00 0.00 O ATOM 2057 CB ILE B 11 15.317 -5.973 -2.636 1.00 0.00 C ATOM 2058 CG1 ILE B 11 16.785 -5.539 -2.680 1.00 0.00 C ATOM 2059 CG2 ILE B 11 14.493 -5.053 -3.542 1.00 0.00 C ATOM 2060 CD1 ILE B 11 17.427 -6.043 -3.974 1.00 0.00 C ATOM 0 H ILE B 11 12.997 -6.618 -2.111 1.00 0.00 H new ATOM 0 HA ILE B 11 15.421 -6.514 -0.527 1.00 0.00 H new ATOM 0 HB ILE B 11 15.220 -6.999 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE B 11 16.856 -4.453 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE B 11 17.319 -5.937 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.869 -5.117 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE B 11 13.448 -5.362 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE B 11 14.575 -4.025 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE B 11 18.472 -5.734 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE B 11 17.369 -7.131 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE B 11 16.898 -5.623 -4.830 1.00 0.00 H new ATOM 2072 N LEU B 12 13.830 -3.660 -0.801 1.00 0.00 N ATOM 2073 CA LEU B 12 13.885 -2.252 -0.272 1.00 0.00 C ATOM 2074 C LEU B 12 13.730 -2.257 1.255 1.00 0.00 C ATOM 2075 O LEU B 12 14.400 -1.511 1.945 1.00 0.00 O ATOM 2076 CB LEU B 12 12.723 -1.486 -0.925 1.00 0.00 C ATOM 2077 CG LEU B 12 12.954 0.019 -0.774 1.00 0.00 C ATOM 2078 CD1 LEU B 12 13.690 0.548 -2.006 1.00 0.00 C ATOM 2079 CD2 LEU B 12 11.605 0.730 -0.643 1.00 0.00 C ATOM 0 H LEU B 12 12.959 -3.921 -1.264 1.00 0.00 H new ATOM 0 HA LEU B 12 14.840 -1.781 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.648 -1.749 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU B 12 11.779 -1.768 -0.458 1.00 0.00 H new ATOM 0 HG LEU B 12 13.554 0.207 0.117 1.00 0.00 H new ATOM 0 HD11 LEU B 12 13.855 1.620 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU B 12 14.650 0.041 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU B 12 13.090 0.360 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU B 12 11.768 1.802 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU B 12 11.006 0.542 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU B 12 11.079 0.353 0.234 1.00 0.00 H new ATOM 2091 N GLU B 13 12.864 -3.094 1.798 1.00 0.00 N ATOM 2092 CA GLU B 13 12.710 -3.117 3.299 1.00 0.00 C ATOM 2093 C GLU B 13 13.983 -3.673 3.968 1.00 0.00 C ATOM 2094 O GLU B 13 14.286 -3.320 5.093 1.00 0.00 O ATOM 2095 CB GLU B 13 11.486 -3.997 3.627 1.00 0.00 C ATOM 2096 CG GLU B 13 11.704 -5.428 3.129 1.00 0.00 C ATOM 2097 CD GLU B 13 10.830 -6.386 3.939 1.00 0.00 C ATOM 2098 OE1 GLU B 13 10.865 -6.300 5.155 1.00 0.00 O ATOM 2099 OE2 GLU B 13 10.142 -7.188 3.331 1.00 0.00 O ATOM 0 H GLU B 13 12.272 -3.746 1.283 1.00 0.00 H new ATOM 0 HA GLU B 13 12.562 -2.108 3.683 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.313 -4.003 4.703 1.00 0.00 H new ATOM 0 HB3 GLU B 13 10.594 -3.576 3.163 1.00 0.00 H new ATOM 0 HG2 GLU B 13 11.455 -5.498 2.070 1.00 0.00 H new ATOM 0 HG3 GLU B 13 12.754 -5.704 3.229 1.00 0.00 H new ATOM 2106 N GLU B 14 14.742 -4.524 3.297 1.00 0.00 N ATOM 2107 CA GLU B 14 15.996 -5.058 3.936 1.00 0.00 C ATOM 2108 C GLU B 14 17.069 -3.957 3.964 1.00 0.00 C ATOM 2109 O GLU B 14 17.797 -3.826 4.930 1.00 0.00 O ATOM 2110 CB GLU B 14 16.466 -6.241 3.074 1.00 0.00 C ATOM 2111 CG GLU B 14 17.564 -7.009 3.814 1.00 0.00 C ATOM 2112 CD GLU B 14 18.590 -7.534 2.807 1.00 0.00 C ATOM 2113 OE1 GLU B 14 18.207 -8.324 1.960 1.00 0.00 O ATOM 2114 OE2 GLU B 14 19.739 -7.137 2.900 1.00 0.00 O ATOM 0 H GLU B 14 14.551 -4.864 2.355 1.00 0.00 H new ATOM 0 HA GLU B 14 15.815 -5.378 4.962 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.627 -6.903 2.858 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.842 -5.880 2.117 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.052 -6.358 4.540 1.00 0.00 H new ATOM 0 HG3 GLU B 14 17.129 -7.838 4.372 1.00 0.00 H new