USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 991 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 TYR OH : rot 170:sc= 0.0658 USER MOD Set 1.2: A 96 HIS : no HE2:sc= 0.244 K(o=0.31,f=-5.7!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -128:sc= 0 (180deg=-1.07) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.1) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= -0.0223 (180deg=-0.188) USER MOD Single : A 33 TYR OH : rot 110:sc= -0.143 USER MOD Single : A 35 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.15) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.22) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.042 USER MOD Single : A 55 GLN : amide:sc= -1.02 K(o=-1,f=-0.19) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 159:sc= -0.0712 (180deg=-0.808) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0.858 (180deg=0.776) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 1.19 (180deg=1.15) USER MOD Single : A 73 SER OG : rot 66:sc= 1.24 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0868 K(o=-0.087,f=-0.75) USER MOD Single : A 86 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.44) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 103 SER OG : rot 32:sc= 0.154 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.2!) USER MOD Single : A 110 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.074) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 75:sc= 0.949 USER MOD Single : A 116 SER OG : rot 65:sc= 1.34 USER MOD Single : A 117 SER OG : rot -93:sc= 1.27 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -5.42! K(o=-5.4!,f=-1.2) USER MOD Single : A 133 TYR OH : rot 160:sc= 0.636 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0203 USER MOD ----------------------------------------------------------------- ATOM 215 N TYR A 14 -5.990 -11.426 -7.591 1.00 0.00 N ATOM 216 CA TYR A 14 -7.040 -10.428 -7.706 1.00 0.00 C ATOM 217 C TYR A 14 -6.519 -9.214 -8.457 1.00 0.00 C ATOM 218 O TYR A 14 -5.396 -8.763 -8.219 1.00 0.00 O ATOM 219 CB TYR A 14 -7.547 -10.009 -6.321 1.00 0.00 C ATOM 220 CG TYR A 14 -8.159 -11.134 -5.516 1.00 0.00 C ATOM 221 CD1 TYR A 14 -9.515 -11.425 -5.610 1.00 0.00 C ATOM 222 CD2 TYR A 14 -7.383 -11.898 -4.654 1.00 0.00 C ATOM 223 CE1 TYR A 14 -10.078 -12.446 -4.867 1.00 0.00 C ATOM 224 CE2 TYR A 14 -7.939 -12.921 -3.911 1.00 0.00 C ATOM 225 CZ TYR A 14 -9.285 -13.190 -4.019 1.00 0.00 C ATOM 226 OH TYR A 14 -9.841 -14.205 -3.273 1.00 0.00 O ATOM 0 HA TYR A 14 -7.872 -10.864 -8.259 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.717 -9.584 -5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.288 -9.219 -6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.138 -10.844 -6.274 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.327 -11.689 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.133 -12.660 -4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.320 -13.508 -3.248 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.145 -14.630 -2.729 1.00 0.00 H new ATOM 236 N ALA A 15 -7.318 -8.705 -9.376 1.00 0.00 N ATOM 237 CA ALA A 15 -6.940 -7.530 -10.137 1.00 0.00 C ATOM 238 C ALA A 15 -8.164 -6.710 -10.505 1.00 0.00 C ATOM 239 O ALA A 15 -9.183 -7.259 -10.920 1.00 0.00 O ATOM 240 CB ALA A 15 -6.170 -7.931 -11.389 1.00 0.00 C ATOM 0 H ALA A 15 -8.233 -9.087 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.292 -6.914 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.894 -7.037 -11.948 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.268 -8.473 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.796 -8.570 -12.012 1.00 0.00 H new ATOM 246 N MET A 16 -8.064 -5.399 -10.334 1.00 0.00 N ATOM 247 CA MET A 16 -9.136 -4.496 -10.731 1.00 0.00 C ATOM 248 C MET A 16 -9.071 -4.248 -12.227 1.00 0.00 C ATOM 249 O MET A 16 -8.350 -3.368 -12.696 1.00 0.00 O ATOM 250 CB MET A 16 -9.065 -3.174 -9.963 1.00 0.00 C ATOM 251 CG MET A 16 -9.817 -3.209 -8.644 1.00 0.00 C ATOM 252 SD MET A 16 -11.585 -3.483 -8.875 1.00 0.00 S ATOM 253 CE MET A 16 -12.130 -3.552 -7.173 1.00 0.00 C ATOM 0 H MET A 16 -7.252 -4.937 -9.923 1.00 0.00 H new ATOM 0 HA MET A 16 -10.089 -4.966 -10.487 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.021 -2.927 -9.772 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.472 -2.377 -10.585 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.408 -4.000 -8.015 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.663 -2.269 -8.115 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.712 -4.459 -7.014 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.262 -3.557 -6.513 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.748 -2.681 -6.953 1.00 0.00 H new ATOM 263 N LYS A 17 -9.806 -5.058 -12.967 1.00 0.00 N ATOM 264 CA LYS A 17 -9.764 -5.025 -14.419 1.00 0.00 C ATOM 265 C LYS A 17 -11.175 -5.082 -14.999 1.00 0.00 C ATOM 266 O LYS A 17 -12.098 -5.575 -14.347 1.00 0.00 O ATOM 267 CB LYS A 17 -8.910 -6.190 -14.935 1.00 0.00 C ATOM 268 CG LYS A 17 -9.316 -7.549 -14.383 1.00 0.00 C ATOM 269 CD LYS A 17 -8.195 -8.563 -14.548 1.00 0.00 C ATOM 270 CE LYS A 17 -8.552 -9.911 -13.945 1.00 0.00 C ATOM 271 NZ LYS A 17 -9.566 -10.636 -14.751 1.00 0.00 N ATOM 0 H LYS A 17 -10.445 -5.753 -12.582 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.311 -4.088 -14.743 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.972 -6.218 -16.023 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.867 -6.003 -14.680 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.573 -7.455 -13.328 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.209 -7.902 -14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.972 -8.688 -15.608 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.290 -8.183 -14.075 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.652 -10.520 -13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.931 -9.766 -12.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.778 -11.550 -14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.435 -10.068 -14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.196 -10.799 -15.709 1.00 0.00 H new ATOM 285 N PRO A 18 -11.363 -4.551 -16.220 1.00 0.00 N ATOM 286 CA PRO A 18 -12.670 -4.535 -16.889 1.00 0.00 C ATOM 287 C PRO A 18 -13.236 -5.935 -17.101 1.00 0.00 C ATOM 288 O PRO A 18 -12.722 -6.715 -17.908 1.00 0.00 O ATOM 289 CB PRO A 18 -12.382 -3.864 -18.238 1.00 0.00 C ATOM 290 CG PRO A 18 -11.113 -3.113 -18.031 1.00 0.00 C ATOM 291 CD PRO A 18 -10.320 -3.916 -17.042 1.00 0.00 C ATOM 0 HA PRO A 18 -13.419 -4.014 -16.293 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.278 -4.603 -19.032 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.193 -3.196 -18.528 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.569 -2.999 -18.968 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.309 -2.110 -17.652 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.689 -4.655 -17.536 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.663 -3.285 -16.444 1.00 0.00 H new ATOM 299 N GLY A 19 -14.296 -6.245 -16.371 1.00 0.00 N ATOM 300 CA GLY A 19 -14.912 -7.552 -16.468 1.00 0.00 C ATOM 301 C GLY A 19 -15.034 -8.232 -15.122 1.00 0.00 C ATOM 302 O GLY A 19 -14.791 -9.432 -15.000 1.00 0.00 O ATOM 0 H GLY A 19 -14.743 -5.611 -15.709 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.902 -7.452 -16.913 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.324 -8.180 -17.137 1.00 0.00 H new ATOM 306 N LEU A 20 -15.411 -7.468 -14.108 1.00 0.00 N ATOM 307 CA LEU A 20 -15.560 -8.003 -12.764 1.00 0.00 C ATOM 308 C LEU A 20 -16.984 -7.815 -12.269 1.00 0.00 C ATOM 309 O LEU A 20 -17.521 -6.705 -12.311 1.00 0.00 O ATOM 310 CB LEU A 20 -14.597 -7.320 -11.793 1.00 0.00 C ATOM 311 CG LEU A 20 -13.113 -7.593 -12.025 1.00 0.00 C ATOM 312 CD1 LEU A 20 -12.281 -6.808 -11.028 1.00 0.00 C ATOM 313 CD2 LEU A 20 -12.817 -9.080 -11.913 1.00 0.00 C ATOM 0 H LEU A 20 -15.620 -6.473 -14.191 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.328 -9.067 -12.806 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.761 -6.244 -11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.850 -7.632 -10.780 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.851 -7.271 -13.033 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.223 -7.008 -11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.474 -5.742 -11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.547 -7.109 -10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.754 -9.253 -12.082 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.088 -9.431 -10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.396 -9.623 -12.660 1.00 0.00 H new ATOM 325 N SER A 21 -17.586 -8.894 -11.799 1.00 0.00 N ATOM 326 CA SER A 21 -18.932 -8.840 -11.253 1.00 0.00 C ATOM 327 C SER A 21 -18.890 -8.347 -9.804 1.00 0.00 C ATOM 328 O SER A 21 -17.807 -8.205 -9.228 1.00 0.00 O ATOM 329 CB SER A 21 -19.578 -10.225 -11.342 1.00 0.00 C ATOM 330 OG SER A 21 -19.525 -10.722 -12.673 1.00 0.00 O ATOM 0 H SER A 21 -17.162 -9.822 -11.784 1.00 0.00 H new ATOM 0 HA SER A 21 -19.533 -8.139 -11.833 1.00 0.00 H new ATOM 0 HB2 SER A 21 -19.065 -10.914 -10.671 1.00 0.00 H new ATOM 0 HB3 SER A 21 -20.615 -10.170 -11.011 1.00 0.00 H new ATOM 0 HG SER A 21 -19.941 -11.608 -12.708 1.00 0.00 H new ATOM 336 N ALA A 22 -20.059 -8.091 -9.222 1.00 0.00 N ATOM 337 CA ALA A 22 -20.147 -7.556 -7.863 1.00 0.00 C ATOM 338 C ALA A 22 -19.419 -8.445 -6.859 1.00 0.00 C ATOM 339 O ALA A 22 -18.644 -7.959 -6.032 1.00 0.00 O ATOM 340 CB ALA A 22 -21.603 -7.388 -7.454 1.00 0.00 C ATOM 0 H ALA A 22 -20.962 -8.246 -9.671 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.659 -6.581 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.653 -6.989 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -22.096 -6.699 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -22.104 -8.355 -7.488 1.00 0.00 H new ATOM 346 N LEU A 23 -19.661 -9.749 -6.941 1.00 0.00 N ATOM 347 CA LEU A 23 -19.035 -10.705 -6.034 1.00 0.00 C ATOM 348 C LEU A 23 -17.519 -10.702 -6.203 1.00 0.00 C ATOM 349 O LEU A 23 -16.774 -10.820 -5.228 1.00 0.00 O ATOM 350 CB LEU A 23 -19.581 -12.114 -6.279 1.00 0.00 C ATOM 351 CG LEU A 23 -21.080 -12.289 -6.027 1.00 0.00 C ATOM 352 CD1 LEU A 23 -21.512 -13.714 -6.340 1.00 0.00 C ATOM 353 CD2 LEU A 23 -21.422 -11.931 -4.589 1.00 0.00 C ATOM 0 H LEU A 23 -20.287 -10.169 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.273 -10.404 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -19.368 -12.394 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -19.038 -12.812 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 23 -21.622 -11.614 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -22.581 -13.819 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -21.301 -13.937 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -20.964 -14.409 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -22.492 -12.061 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.870 -12.582 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -21.149 -10.893 -4.398 1.00 0.00 H new ATOM 365 N GLU A 24 -17.074 -10.547 -7.442 1.00 0.00 N ATOM 366 CA GLU A 24 -15.653 -10.547 -7.750 1.00 0.00 C ATOM 367 C GLU A 24 -14.987 -9.317 -7.142 1.00 0.00 C ATOM 368 O GLU A 24 -13.972 -9.426 -6.456 1.00 0.00 O ATOM 369 CB GLU A 24 -15.428 -10.563 -9.264 1.00 0.00 C ATOM 370 CG GLU A 24 -16.280 -11.582 -10.008 1.00 0.00 C ATOM 371 CD GLU A 24 -16.140 -12.988 -9.459 1.00 0.00 C ATOM 372 OE1 GLU A 24 -15.117 -13.645 -9.735 1.00 0.00 O ATOM 373 OE2 GLU A 24 -17.067 -13.448 -8.763 1.00 0.00 O ATOM 0 H GLU A 24 -17.680 -10.419 -8.252 1.00 0.00 H new ATOM 0 HA GLU A 24 -15.209 -11.446 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.637 -9.570 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.376 -10.771 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.326 -11.280 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.001 -11.580 -11.062 1.00 0.00 H new ATOM 380 N LYS A 25 -15.583 -8.149 -7.376 1.00 0.00 N ATOM 381 CA LYS A 25 -15.045 -6.895 -6.854 1.00 0.00 C ATOM 382 C LYS A 25 -15.028 -6.897 -5.327 1.00 0.00 C ATOM 383 O LYS A 25 -14.111 -6.355 -4.711 1.00 0.00 O ATOM 384 CB LYS A 25 -15.854 -5.703 -7.370 1.00 0.00 C ATOM 385 CG LYS A 25 -15.655 -5.431 -8.853 1.00 0.00 C ATOM 386 CD LYS A 25 -16.426 -4.203 -9.310 1.00 0.00 C ATOM 387 CE LYS A 25 -16.102 -3.848 -10.753 1.00 0.00 C ATOM 388 NZ LYS A 25 -16.833 -2.635 -11.214 1.00 0.00 N ATOM 0 H LYS A 25 -16.438 -8.045 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.018 -6.801 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.912 -5.883 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.576 -4.813 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.594 -5.291 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.979 -6.298 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.496 -4.386 -9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.185 -3.359 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.029 -3.683 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.356 -4.689 -11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.435 -2.313 -12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.840 -2.863 -11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.735 -1.880 -10.505 1.00 0.00 H new ATOM 402 N ASN A 26 -16.038 -7.518 -4.726 1.00 0.00 N ATOM 403 CA ASN A 26 -16.118 -7.628 -3.271 1.00 0.00 C ATOM 404 C ASN A 26 -14.904 -8.374 -2.723 1.00 0.00 C ATOM 405 O ASN A 26 -14.282 -7.947 -1.749 1.00 0.00 O ATOM 406 CB ASN A 26 -17.402 -8.353 -2.858 1.00 0.00 C ATOM 407 CG ASN A 26 -17.569 -8.444 -1.349 1.00 0.00 C ATOM 408 OD1 ASN A 26 -17.147 -7.557 -0.609 1.00 0.00 O ATOM 409 ND2 ASN A 26 -18.188 -9.516 -0.882 1.00 0.00 N ATOM 0 H ASN A 26 -16.814 -7.954 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 26 -16.131 -6.621 -2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -18.260 -7.833 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.398 -9.358 -3.280 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.329 -9.627 0.122 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -18.525 -10.232 -1.526 1.00 0.00 H new ATOM 416 N ALA A 27 -14.563 -9.479 -3.375 1.00 0.00 N ATOM 417 CA ALA A 27 -13.429 -10.297 -2.966 1.00 0.00 C ATOM 418 C ALA A 27 -12.113 -9.547 -3.160 1.00 0.00 C ATOM 419 O ALA A 27 -11.218 -9.626 -2.321 1.00 0.00 O ATOM 420 CB ALA A 27 -13.419 -11.603 -3.745 1.00 0.00 C ATOM 0 H ALA A 27 -15.059 -9.830 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.533 -10.521 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.567 -12.207 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.342 -12.149 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.340 -11.390 -4.811 1.00 0.00 H new ATOM 426 N VAL A 28 -12.010 -8.816 -4.267 1.00 0.00 N ATOM 427 CA VAL A 28 -10.816 -8.031 -4.570 1.00 0.00 C ATOM 428 C VAL A 28 -10.542 -7.005 -3.471 1.00 0.00 C ATOM 429 O VAL A 28 -9.422 -6.906 -2.962 1.00 0.00 O ATOM 430 CB VAL A 28 -10.954 -7.303 -5.929 1.00 0.00 C ATOM 431 CG1 VAL A 28 -9.766 -6.390 -6.186 1.00 0.00 C ATOM 432 CG2 VAL A 28 -11.106 -8.307 -7.062 1.00 0.00 C ATOM 0 H VAL A 28 -12.743 -8.751 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.979 -8.727 -4.626 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.852 -6.686 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.891 -5.892 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.704 -5.642 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.850 -6.980 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.202 -7.775 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.229 -8.953 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.997 -8.913 -6.894 1.00 0.00 H new ATOM 442 N ILE A 29 -11.575 -6.257 -3.104 1.00 0.00 N ATOM 443 CA ILE A 29 -11.457 -5.227 -2.079 1.00 0.00 C ATOM 444 C ILE A 29 -11.107 -5.841 -0.723 1.00 0.00 C ATOM 445 O ILE A 29 -10.182 -5.388 -0.039 1.00 0.00 O ATOM 446 CB ILE A 29 -12.769 -4.419 -1.955 1.00 0.00 C ATOM 447 CG1 ILE A 29 -13.125 -3.776 -3.298 1.00 0.00 C ATOM 448 CG2 ILE A 29 -12.645 -3.354 -0.874 1.00 0.00 C ATOM 449 CD1 ILE A 29 -14.480 -3.098 -3.311 1.00 0.00 C ATOM 0 H ILE A 29 -12.509 -6.345 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.653 -4.556 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.569 -5.103 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.360 -3.043 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.105 -4.542 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.579 -2.797 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.433 -3.830 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.834 -2.671 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.661 -2.666 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.256 -3.831 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.499 -2.309 -2.559 1.00 0.00 H new ATOM 461 N LYS A 30 -11.836 -6.888 -0.353 1.00 0.00 N ATOM 462 CA LYS A 30 -11.638 -7.543 0.933 1.00 0.00 C ATOM 463 C LYS A 30 -10.238 -8.148 1.022 1.00 0.00 C ATOM 464 O LYS A 30 -9.609 -8.120 2.082 1.00 0.00 O ATOM 465 CB LYS A 30 -12.708 -8.621 1.146 1.00 0.00 C ATOM 466 CG LYS A 30 -12.665 -9.276 2.520 1.00 0.00 C ATOM 467 CD LYS A 30 -13.815 -10.258 2.705 1.00 0.00 C ATOM 468 CE LYS A 30 -13.790 -10.901 4.084 1.00 0.00 C ATOM 469 NZ LYS A 30 -13.925 -9.899 5.178 1.00 0.00 N ATOM 0 H LYS A 30 -12.571 -7.301 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.733 -6.796 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.692 -8.176 0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.589 -9.391 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.716 -9.797 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.713 -8.508 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.763 -9.739 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.758 -11.033 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.599 -11.628 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.856 -11.449 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.106 -10.389 6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.046 -9.348 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.717 -9.259 4.967 1.00 0.00 H new ATOM 483 N ALA A 31 -9.749 -8.672 -0.099 1.00 0.00 N ATOM 484 CA ALA A 31 -8.418 -9.265 -0.158 1.00 0.00 C ATOM 485 C ALA A 31 -7.342 -8.219 0.118 1.00 0.00 C ATOM 486 O ALA A 31 -6.334 -8.509 0.765 1.00 0.00 O ATOM 487 CB ALA A 31 -8.185 -9.918 -1.513 1.00 0.00 C ATOM 0 H ALA A 31 -10.258 -8.697 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.355 -10.031 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.187 -10.355 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.928 -10.699 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.273 -9.167 -2.299 1.00 0.00 H new ATOM 493 N ALA A 32 -7.567 -7.002 -0.371 1.00 0.00 N ATOM 494 CA ALA A 32 -6.637 -5.902 -0.146 1.00 0.00 C ATOM 495 C ALA A 32 -6.497 -5.613 1.346 1.00 0.00 C ATOM 496 O ALA A 32 -5.386 -5.488 1.863 1.00 0.00 O ATOM 497 CB ALA A 32 -7.091 -4.656 -0.893 1.00 0.00 C ATOM 0 H ALA A 32 -8.386 -6.754 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.660 -6.195 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.384 -3.846 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.135 -4.868 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.079 -4.360 -0.541 1.00 0.00 H new ATOM 503 N TYR A 33 -7.630 -5.526 2.039 1.00 0.00 N ATOM 504 CA TYR A 33 -7.622 -5.319 3.485 1.00 0.00 C ATOM 505 C TYR A 33 -6.948 -6.488 4.194 1.00 0.00 C ATOM 506 O TYR A 33 -6.157 -6.296 5.118 1.00 0.00 O ATOM 507 CB TYR A 33 -9.044 -5.146 4.026 1.00 0.00 C ATOM 508 CG TYR A 33 -9.705 -3.855 3.608 1.00 0.00 C ATOM 509 CD1 TYR A 33 -9.326 -2.648 4.178 1.00 0.00 C ATOM 510 CD2 TYR A 33 -10.707 -3.843 2.649 1.00 0.00 C ATOM 511 CE1 TYR A 33 -9.928 -1.464 3.805 1.00 0.00 C ATOM 512 CE2 TYR A 33 -11.314 -2.663 2.270 1.00 0.00 C ATOM 513 CZ TYR A 33 -10.919 -1.476 2.849 1.00 0.00 C ATOM 514 OH TYR A 33 -11.522 -0.297 2.472 1.00 0.00 O ATOM 0 H TYR A 33 -8.560 -5.595 1.626 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.058 -4.407 3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.655 -5.982 3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.016 -5.193 5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.547 -2.635 4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.017 -4.771 2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.624 -0.533 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.095 -2.669 1.524 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.248 -0.067 1.560 1.00 0.00 H new ATOM 524 N ARG A 34 -7.250 -7.697 3.732 1.00 0.00 N ATOM 525 CA ARG A 34 -6.703 -8.913 4.327 1.00 0.00 C ATOM 526 C ARG A 34 -5.196 -9.016 4.123 1.00 0.00 C ATOM 527 O ARG A 34 -4.526 -9.771 4.820 1.00 0.00 O ATOM 528 CB ARG A 34 -7.373 -10.152 3.729 1.00 0.00 C ATOM 529 CG ARG A 34 -8.830 -10.321 4.126 1.00 0.00 C ATOM 530 CD ARG A 34 -8.981 -10.516 5.625 1.00 0.00 C ATOM 531 NE ARG A 34 -8.170 -11.628 6.118 1.00 0.00 N ATOM 532 CZ ARG A 34 -8.670 -12.781 6.560 1.00 0.00 C ATOM 533 NH1 ARG A 34 -9.984 -12.981 6.575 1.00 0.00 N ATOM 534 NH2 ARG A 34 -7.849 -13.722 7.006 1.00 0.00 N ATOM 0 H ARG A 34 -7.874 -7.862 2.943 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.905 -8.862 5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.307 -10.099 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.818 -11.037 4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.397 -9.444 3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.254 -11.178 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.692 -9.600 6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.029 -10.698 5.863 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.156 -11.514 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.615 -12.250 6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.361 -13.866 6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.842 -13.561 7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.225 -14.607 7.346 1.00 0.00 H new ATOM 548 N GLN A 35 -4.672 -8.272 3.163 1.00 0.00 N ATOM 549 CA GLN A 35 -3.253 -8.335 2.854 1.00 0.00 C ATOM 550 C GLN A 35 -2.479 -7.254 3.605 1.00 0.00 C ATOM 551 O GLN A 35 -1.430 -7.520 4.188 1.00 0.00 O ATOM 552 CB GLN A 35 -3.039 -8.170 1.350 1.00 0.00 C ATOM 553 CG GLN A 35 -1.817 -8.902 0.829 1.00 0.00 C ATOM 554 CD GLN A 35 -1.979 -10.409 0.877 1.00 0.00 C ATOM 555 OE1 GLN A 35 -1.008 -11.149 1.022 1.00 0.00 O ATOM 556 NE2 GLN A 35 -3.211 -10.877 0.740 1.00 0.00 N ATOM 0 H GLN A 35 -5.205 -7.620 2.587 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.880 -9.309 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.922 -8.533 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.943 -7.109 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.623 -8.593 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.946 -8.614 1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.992 -10.231 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.379 -11.883 0.753 1.00 0.00 H new ATOM 565 N ILE A 36 -3.012 -6.040 3.605 1.00 0.00 N ATOM 566 CA ILE A 36 -2.327 -4.906 4.215 1.00 0.00 C ATOM 567 C ILE A 36 -2.449 -4.931 5.734 1.00 0.00 C ATOM 568 O ILE A 36 -1.491 -4.643 6.449 1.00 0.00 O ATOM 569 CB ILE A 36 -2.865 -3.569 3.670 1.00 0.00 C ATOM 570 CG1 ILE A 36 -2.665 -3.513 2.155 1.00 0.00 C ATOM 571 CG2 ILE A 36 -2.180 -2.385 4.345 1.00 0.00 C ATOM 572 CD1 ILE A 36 -3.085 -2.201 1.541 1.00 0.00 C ATOM 0 H ILE A 36 -3.916 -5.814 3.190 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.273 -4.993 3.951 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.930 -3.506 3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.614 -3.691 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.232 -4.320 1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.579 -1.455 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.363 -2.422 5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.107 -2.431 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.915 -2.232 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.144 -2.030 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.500 -1.391 1.977 1.00 0.00 H new ATOM 584 N PHE A 37 -3.622 -5.280 6.229 1.00 0.00 N ATOM 585 CA PHE A 37 -3.826 -5.378 7.664 1.00 0.00 C ATOM 586 C PHE A 37 -3.653 -6.821 8.113 1.00 0.00 C ATOM 587 O PHE A 37 -3.746 -7.123 9.301 1.00 0.00 O ATOM 588 CB PHE A 37 -5.207 -4.840 8.047 1.00 0.00 C ATOM 589 CG PHE A 37 -5.398 -3.398 7.661 1.00 0.00 C ATOM 590 CD1 PHE A 37 -4.789 -2.386 8.387 1.00 0.00 C ATOM 591 CD2 PHE A 37 -6.176 -3.055 6.567 1.00 0.00 C ATOM 592 CE1 PHE A 37 -4.953 -1.061 8.030 1.00 0.00 C ATOM 593 CE2 PHE A 37 -6.346 -1.731 6.206 1.00 0.00 C ATOM 594 CZ PHE A 37 -5.732 -0.733 6.937 1.00 0.00 C ATOM 0 H PHE A 37 -4.443 -5.499 5.664 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.080 -4.768 8.173 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.974 -5.445 7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.347 -4.945 9.123 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.179 -2.636 9.242 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.656 -3.831 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.473 -0.283 8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.958 -1.478 5.353 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.860 0.302 6.655 1.00 0.00 H new ATOM 604 N GLU A 38 -3.399 -7.693 7.123 1.00 0.00 N ATOM 605 CA GLU A 38 -3.114 -9.127 7.320 1.00 0.00 C ATOM 606 C GLU A 38 -4.076 -9.806 8.300 1.00 0.00 C ATOM 607 O GLU A 38 -3.756 -10.844 8.891 1.00 0.00 O ATOM 608 CB GLU A 38 -1.644 -9.347 7.724 1.00 0.00 C ATOM 609 CG GLU A 38 -1.204 -8.622 8.984 1.00 0.00 C ATOM 610 CD GLU A 38 0.273 -8.786 9.258 1.00 0.00 C ATOM 611 OE1 GLU A 38 1.081 -8.037 8.670 1.00 0.00 O ATOM 612 OE2 GLU A 38 0.636 -9.666 10.067 1.00 0.00 O ATOM 0 H GLU A 38 -3.385 -7.416 6.141 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.281 -9.610 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.478 -10.415 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.006 -9.029 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.438 -7.561 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.772 -8.999 9.834 1.00 0.00 H new ATOM 720 N TYR A 45 -14.562 -1.663 12.203 1.00 0.00 N ATOM 721 CA TYR A 45 -13.819 -1.112 11.086 1.00 0.00 C ATOM 722 C TYR A 45 -14.747 -0.951 9.890 1.00 0.00 C ATOM 723 O TYR A 45 -15.001 -1.911 9.163 1.00 0.00 O ATOM 724 CB TYR A 45 -12.650 -2.027 10.709 1.00 0.00 C ATOM 725 CG TYR A 45 -11.750 -2.395 11.868 1.00 0.00 C ATOM 726 CD1 TYR A 45 -10.757 -1.529 12.307 1.00 0.00 C ATOM 727 CD2 TYR A 45 -11.891 -3.616 12.518 1.00 0.00 C ATOM 728 CE1 TYR A 45 -9.931 -1.869 13.361 1.00 0.00 C ATOM 729 CE2 TYR A 45 -11.070 -3.964 13.570 1.00 0.00 C ATOM 730 CZ TYR A 45 -10.092 -3.087 13.988 1.00 0.00 C ATOM 731 OH TYR A 45 -9.270 -3.429 15.035 1.00 0.00 O ATOM 0 HA TYR A 45 -13.419 -0.141 11.378 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.047 -2.941 10.268 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.052 -1.536 9.941 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.629 -0.575 11.817 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -12.657 -4.304 12.193 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.164 -1.185 13.692 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.192 -4.917 14.063 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.515 -4.318 15.366 1.00 0.00 H new ATOM 741 N SER A 46 -15.274 0.252 9.701 1.00 0.00 N ATOM 742 CA SER A 46 -16.202 0.513 8.609 1.00 0.00 C ATOM 743 C SER A 46 -16.301 2.013 8.320 1.00 0.00 C ATOM 744 O SER A 46 -15.366 2.764 8.614 1.00 0.00 O ATOM 745 CB SER A 46 -17.574 -0.066 8.962 1.00 0.00 C ATOM 746 OG SER A 46 -18.003 0.374 10.239 1.00 0.00 O ATOM 0 H SER A 46 -15.075 1.061 10.289 1.00 0.00 H new ATOM 0 HA SER A 46 -15.832 0.030 7.705 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.302 0.232 8.208 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.527 -1.155 8.947 1.00 0.00 H new ATOM 0 HG SER A 46 -18.883 -0.009 10.439 1.00 0.00 H new ATOM 752 N GLN A 47 -17.424 2.425 7.721 1.00 0.00 N ATOM 753 CA GLN A 47 -17.680 3.824 7.362 1.00 0.00 C ATOM 754 C GLN A 47 -16.737 4.282 6.250 1.00 0.00 C ATOM 755 O GLN A 47 -17.110 4.287 5.078 1.00 0.00 O ATOM 756 CB GLN A 47 -17.562 4.754 8.579 1.00 0.00 C ATOM 757 CG GLN A 47 -17.976 6.190 8.286 1.00 0.00 C ATOM 758 CD GLN A 47 -19.440 6.301 7.907 1.00 0.00 C ATOM 759 OE1 GLN A 47 -19.801 6.203 6.729 1.00 0.00 O ATOM 760 NE2 GLN A 47 -20.289 6.516 8.898 1.00 0.00 N ATOM 0 H GLN A 47 -18.185 1.794 7.470 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.705 3.881 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.181 4.363 9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -16.532 4.746 8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.782 6.808 9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.362 6.585 7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.947 6.590 9.856 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -21.286 6.608 8.704 1.00 0.00 H new ATOM 769 N SER A 48 -15.512 4.643 6.614 1.00 0.00 N ATOM 770 CA SER A 48 -14.516 5.056 5.638 1.00 0.00 C ATOM 771 C SER A 48 -14.168 3.884 4.726 1.00 0.00 C ATOM 772 O SER A 48 -13.941 4.057 3.530 1.00 0.00 O ATOM 773 CB SER A 48 -13.265 5.572 6.351 1.00 0.00 C ATOM 774 OG SER A 48 -13.594 6.608 7.265 1.00 0.00 O ATOM 0 H SER A 48 -15.186 4.657 7.580 1.00 0.00 H new ATOM 0 HA SER A 48 -14.924 5.863 5.029 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.780 4.753 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.550 5.943 5.617 1.00 0.00 H new ATOM 0 HG SER A 48 -12.780 6.922 7.711 1.00 0.00 H new ATOM 780 N ILE A 49 -14.161 2.686 5.303 1.00 0.00 N ATOM 781 CA ILE A 49 -13.912 1.465 4.549 1.00 0.00 C ATOM 782 C ILE A 49 -15.021 1.236 3.527 1.00 0.00 C ATOM 783 O ILE A 49 -14.760 0.873 2.380 1.00 0.00 O ATOM 784 CB ILE A 49 -13.807 0.250 5.494 1.00 0.00 C ATOM 785 CG1 ILE A 49 -12.579 0.401 6.394 1.00 0.00 C ATOM 786 CG2 ILE A 49 -13.739 -1.055 4.710 1.00 0.00 C ATOM 787 CD1 ILE A 49 -12.395 -0.740 7.365 1.00 0.00 C ATOM 0 H ILE A 49 -14.326 2.536 6.298 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.964 1.578 4.023 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.703 0.216 6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.689 0.482 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.662 1.333 6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.666 -1.893 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.639 -1.163 4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.864 -1.044 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.505 -0.564 7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -13.267 -0.809 8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.280 -1.673 6.813 1.00 0.00 H new ATOM 799 N SER A 50 -16.254 1.477 3.951 1.00 0.00 N ATOM 800 CA SER A 50 -17.412 1.328 3.085 1.00 0.00 C ATOM 801 C SER A 50 -17.381 2.373 1.970 1.00 0.00 C ATOM 802 O SER A 50 -17.766 2.101 0.831 1.00 0.00 O ATOM 803 CB SER A 50 -18.688 1.479 3.917 1.00 0.00 C ATOM 804 OG SER A 50 -18.595 0.740 5.127 1.00 0.00 O ATOM 0 H SER A 50 -16.477 1.779 4.899 1.00 0.00 H new ATOM 0 HA SER A 50 -17.393 0.339 2.627 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.858 2.532 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.546 1.134 3.340 1.00 0.00 H new ATOM 0 HG SER A 50 -19.420 0.852 5.643 1.00 0.00 H new ATOM 810 N TYR A 51 -16.900 3.562 2.309 1.00 0.00 N ATOM 811 CA TYR A 51 -16.824 4.668 1.364 1.00 0.00 C ATOM 812 C TYR A 51 -15.750 4.406 0.308 1.00 0.00 C ATOM 813 O TYR A 51 -15.959 4.645 -0.882 1.00 0.00 O ATOM 814 CB TYR A 51 -16.533 5.968 2.122 1.00 0.00 C ATOM 815 CG TYR A 51 -16.613 7.212 1.271 1.00 0.00 C ATOM 816 CD1 TYR A 51 -17.812 7.603 0.688 1.00 0.00 C ATOM 817 CD2 TYR A 51 -15.492 8.004 1.063 1.00 0.00 C ATOM 818 CE1 TYR A 51 -17.888 8.746 -0.083 1.00 0.00 C ATOM 819 CE2 TYR A 51 -15.561 9.147 0.292 1.00 0.00 C ATOM 820 CZ TYR A 51 -16.760 9.515 -0.277 1.00 0.00 C ATOM 821 OH TYR A 51 -16.832 10.656 -1.043 1.00 0.00 O ATOM 0 H TYR A 51 -16.553 3.786 3.242 1.00 0.00 H new ATOM 0 HA TYR A 51 -17.780 4.762 0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -17.239 6.060 2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -15.537 5.905 2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -18.698 7.004 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -14.551 7.721 1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -18.826 9.036 -0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -14.679 9.750 0.136 1.00 0.00 H new ATOM 0 HH TYR A 51 -15.950 11.082 -1.079 1.00 0.00 H new ATOM 831 N LEU A 52 -14.597 3.911 0.748 1.00 0.00 N ATOM 832 CA LEU A 52 -13.523 3.553 -0.172 1.00 0.00 C ATOM 833 C LEU A 52 -13.958 2.398 -1.066 1.00 0.00 C ATOM 834 O LEU A 52 -13.582 2.326 -2.238 1.00 0.00 O ATOM 835 CB LEU A 52 -12.256 3.166 0.597 1.00 0.00 C ATOM 836 CG LEU A 52 -11.639 4.278 1.447 1.00 0.00 C ATOM 837 CD1 LEU A 52 -10.420 3.763 2.193 1.00 0.00 C ATOM 838 CD2 LEU A 52 -11.263 5.470 0.580 1.00 0.00 C ATOM 0 H LEU A 52 -14.383 3.749 1.732 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.302 4.422 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.489 2.322 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.509 2.821 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.381 4.602 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.994 4.567 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.713 2.940 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.677 3.411 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.826 6.250 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.539 5.158 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.155 5.857 0.087 1.00 0.00 H new ATOM 850 N GLU A 53 -14.763 1.508 -0.495 1.00 0.00 N ATOM 851 CA GLU A 53 -15.299 0.359 -1.211 1.00 0.00 C ATOM 852 C GLU A 53 -16.051 0.790 -2.471 1.00 0.00 C ATOM 853 O GLU A 53 -15.728 0.354 -3.575 1.00 0.00 O ATOM 854 CB GLU A 53 -16.230 -0.431 -0.287 1.00 0.00 C ATOM 855 CG GLU A 53 -16.986 -1.551 -0.976 1.00 0.00 C ATOM 856 CD GLU A 53 -18.010 -2.202 -0.071 1.00 0.00 C ATOM 857 OE1 GLU A 53 -19.107 -1.631 0.102 1.00 0.00 O ATOM 858 OE2 GLU A 53 -17.730 -3.299 0.458 1.00 0.00 O ATOM 0 H GLU A 53 -15.062 1.564 0.479 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.466 -0.273 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.642 -0.852 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.949 0.256 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.486 -1.157 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.278 -2.305 -1.320 1.00 0.00 H new ATOM 865 N SER A 54 -17.037 1.662 -2.305 1.00 0.00 N ATOM 866 CA SER A 54 -17.869 2.086 -3.420 1.00 0.00 C ATOM 867 C SER A 54 -17.056 2.857 -4.460 1.00 0.00 C ATOM 868 O SER A 54 -17.270 2.698 -5.663 1.00 0.00 O ATOM 869 CB SER A 54 -19.041 2.922 -2.904 1.00 0.00 C ATOM 870 OG SER A 54 -18.639 3.749 -1.825 1.00 0.00 O ATOM 0 H SER A 54 -17.279 2.088 -1.410 1.00 0.00 H new ATOM 0 HA SER A 54 -18.263 1.199 -3.915 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.436 3.538 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.848 2.264 -2.581 1.00 0.00 H new ATOM 0 HG SER A 54 -19.405 4.275 -1.513 1.00 0.00 H new ATOM 876 N GLN A 55 -16.105 3.665 -3.996 1.00 0.00 N ATOM 877 CA GLN A 55 -15.249 4.433 -4.897 1.00 0.00 C ATOM 878 C GLN A 55 -14.477 3.520 -5.848 1.00 0.00 C ATOM 879 O GLN A 55 -14.435 3.760 -7.058 1.00 0.00 O ATOM 880 CB GLN A 55 -14.265 5.302 -4.110 1.00 0.00 C ATOM 881 CG GLN A 55 -14.916 6.442 -3.344 1.00 0.00 C ATOM 882 CD GLN A 55 -13.899 7.332 -2.652 1.00 0.00 C ATOM 883 OE1 GLN A 55 -14.125 8.528 -2.469 1.00 0.00 O ATOM 884 NE2 GLN A 55 -12.768 6.760 -2.263 1.00 0.00 N ATOM 0 H GLN A 55 -15.908 3.805 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.901 5.077 -5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.722 4.671 -3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.530 5.716 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.513 7.043 -4.030 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.601 6.032 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.615 5.766 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.051 7.314 -1.795 1.00 0.00 H new ATOM 893 N VAL A 56 -13.874 2.468 -5.309 1.00 0.00 N ATOM 894 CA VAL A 56 -13.060 1.574 -6.122 1.00 0.00 C ATOM 895 C VAL A 56 -13.941 0.595 -6.908 1.00 0.00 C ATOM 896 O VAL A 56 -13.553 0.116 -7.976 1.00 0.00 O ATOM 897 CB VAL A 56 -12.016 0.814 -5.267 1.00 0.00 C ATOM 898 CG1 VAL A 56 -12.682 -0.131 -4.284 1.00 0.00 C ATOM 899 CG2 VAL A 56 -11.031 0.066 -6.152 1.00 0.00 C ATOM 0 H VAL A 56 -13.932 2.215 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.512 2.189 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.463 1.555 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.919 -0.647 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.328 0.437 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.278 -0.862 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.308 -0.460 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.570 -0.654 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.508 0.775 -6.795 1.00 0.00 H new ATOM 909 N ARG A 57 -15.142 0.327 -6.397 1.00 0.00 N ATOM 910 CA ARG A 57 -16.103 -0.508 -7.111 1.00 0.00 C ATOM 911 C ARG A 57 -16.497 0.133 -8.436 1.00 0.00 C ATOM 912 O ARG A 57 -16.596 -0.547 -9.458 1.00 0.00 O ATOM 913 CB ARG A 57 -17.357 -0.746 -6.271 1.00 0.00 C ATOM 914 CG ARG A 57 -17.217 -1.864 -5.255 1.00 0.00 C ATOM 915 CD ARG A 57 -18.510 -2.064 -4.487 1.00 0.00 C ATOM 916 NE ARG A 57 -18.493 -3.287 -3.684 1.00 0.00 N ATOM 917 CZ ARG A 57 -19.515 -4.143 -3.617 1.00 0.00 C ATOM 918 NH1 ARG A 57 -20.600 -3.949 -4.357 1.00 0.00 N ATOM 919 NH2 ARG A 57 -19.441 -5.204 -2.827 1.00 0.00 N ATOM 0 H ARG A 57 -15.470 0.675 -5.496 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.621 -1.466 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -17.612 0.176 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.189 -0.976 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.944 -2.789 -5.762 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -16.410 -1.631 -4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.680 -1.206 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -19.344 -2.103 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.653 -3.497 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -20.655 -3.143 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -21.379 -4.606 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.603 -5.367 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.222 -5.858 -2.776 1.00 0.00 H new ATOM 933 N ASN A 58 -16.709 1.445 -8.409 1.00 0.00 N ATOM 934 CA ASN A 58 -17.076 2.192 -9.612 1.00 0.00 C ATOM 935 C ASN A 58 -15.909 2.248 -10.587 1.00 0.00 C ATOM 936 O ASN A 58 -16.098 2.444 -11.787 1.00 0.00 O ATOM 937 CB ASN A 58 -17.495 3.626 -9.266 1.00 0.00 C ATOM 938 CG ASN A 58 -18.723 3.703 -8.378 1.00 0.00 C ATOM 939 OD1 ASN A 58 -19.587 2.828 -8.406 1.00 0.00 O ATOM 940 ND2 ASN A 58 -18.817 4.767 -7.595 1.00 0.00 N ATOM 0 H ASN A 58 -16.633 2.016 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.916 1.671 -10.072 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.665 4.128 -8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.690 4.171 -10.189 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.627 4.882 -6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.079 5.471 -7.600 1.00 0.00 H new ATOM 947 N GLY A 59 -14.703 2.065 -10.063 1.00 0.00 N ATOM 948 CA GLY A 59 -13.513 2.270 -10.860 1.00 0.00 C ATOM 949 C GLY A 59 -13.164 3.740 -10.928 1.00 0.00 C ATOM 950 O GLY A 59 -12.509 4.199 -11.865 1.00 0.00 O ATOM 0 H GLY A 59 -14.530 1.778 -9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.681 1.713 -10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.671 1.881 -11.866 1.00 0.00 H new ATOM 954 N ASP A 60 -13.622 4.479 -9.923 1.00 0.00 N ATOM 955 CA ASP A 60 -13.422 5.919 -9.863 1.00 0.00 C ATOM 956 C ASP A 60 -11.978 6.228 -9.504 1.00 0.00 C ATOM 957 O ASP A 60 -11.343 7.093 -10.103 1.00 0.00 O ATOM 958 CB ASP A 60 -14.363 6.531 -8.824 1.00 0.00 C ATOM 959 CG ASP A 60 -14.417 8.043 -8.897 1.00 0.00 C ATOM 960 OD1 ASP A 60 -13.449 8.703 -8.475 1.00 0.00 O ATOM 961 OD2 ASP A 60 -15.446 8.576 -9.365 1.00 0.00 O ATOM 0 H ASP A 60 -14.140 4.097 -9.131 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.643 6.350 -10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.366 6.129 -8.968 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.040 6.232 -7.827 1.00 0.00 H new ATOM 966 N ILE A 61 -11.469 5.505 -8.520 1.00 0.00 N ATOM 967 CA ILE A 61 -10.086 5.651 -8.103 1.00 0.00 C ATOM 968 C ILE A 61 -9.285 4.424 -8.509 1.00 0.00 C ATOM 969 O ILE A 61 -9.836 3.330 -8.640 1.00 0.00 O ATOM 970 CB ILE A 61 -9.959 5.854 -6.575 1.00 0.00 C ATOM 971 CG1 ILE A 61 -10.572 4.671 -5.815 1.00 0.00 C ATOM 972 CG2 ILE A 61 -10.622 7.160 -6.158 1.00 0.00 C ATOM 973 CD1 ILE A 61 -10.365 4.738 -4.315 1.00 0.00 C ATOM 0 H ILE A 61 -11.996 4.808 -7.994 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.693 6.539 -8.599 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.900 5.906 -6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -11.641 4.631 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -10.139 3.745 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.525 7.289 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.138 7.993 -6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.678 7.134 -6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.825 3.869 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.297 4.747 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.823 5.647 -3.925 1.00 0.00 H new ATOM 985 N SER A 62 -7.996 4.609 -8.722 1.00 0.00 N ATOM 986 CA SER A 62 -7.124 3.506 -9.070 1.00 0.00 C ATOM 987 C SER A 62 -6.881 2.629 -7.845 1.00 0.00 C ATOM 988 O SER A 62 -6.883 3.121 -6.712 1.00 0.00 O ATOM 989 CB SER A 62 -5.800 4.043 -9.607 1.00 0.00 C ATOM 990 OG SER A 62 -6.018 5.031 -10.598 1.00 0.00 O ATOM 0 H SER A 62 -7.530 5.514 -8.660 1.00 0.00 H new ATOM 0 HA SER A 62 -7.599 2.903 -9.844 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.216 4.466 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.215 3.225 -10.027 1.00 0.00 H new ATOM 0 HG SER A 62 -5.156 5.361 -10.926 1.00 0.00 H new ATOM 996 N MET A 63 -6.647 1.339 -8.068 1.00 0.00 N ATOM 997 CA MET A 63 -6.427 0.403 -6.969 1.00 0.00 C ATOM 998 C MET A 63 -5.156 0.773 -6.206 1.00 0.00 C ATOM 999 O MET A 63 -4.951 0.363 -5.063 1.00 0.00 O ATOM 1000 CB MET A 63 -6.332 -1.025 -7.506 1.00 0.00 C ATOM 1001 CG MET A 63 -6.458 -2.086 -6.427 1.00 0.00 C ATOM 1002 SD MET A 63 -8.047 -2.012 -5.583 1.00 0.00 S ATOM 1003 CE MET A 63 -7.832 -3.279 -4.342 1.00 0.00 C ATOM 0 H MET A 63 -6.605 0.919 -8.996 1.00 0.00 H new ATOM 0 HA MET A 63 -7.271 0.461 -6.282 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.115 -1.178 -8.249 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.378 -1.150 -8.018 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.331 -3.072 -6.873 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.656 -1.959 -5.700 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.537 -3.114 -3.528 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.013 -4.258 -4.786 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.814 -3.239 -3.954 1.00 0.00 H new ATOM 1013 N LYS A 64 -4.306 1.566 -6.849 1.00 0.00 N ATOM 1014 CA LYS A 64 -3.072 2.026 -6.234 1.00 0.00 C ATOM 1015 C LYS A 64 -3.361 3.026 -5.123 1.00 0.00 C ATOM 1016 O LYS A 64 -2.776 2.954 -4.042 1.00 0.00 O ATOM 1017 CB LYS A 64 -2.159 2.672 -7.272 1.00 0.00 C ATOM 1018 CG LYS A 64 -0.780 2.993 -6.731 1.00 0.00 C ATOM 1019 CD LYS A 64 0.120 3.564 -7.805 1.00 0.00 C ATOM 1020 CE LYS A 64 1.552 3.673 -7.315 1.00 0.00 C ATOM 1021 NZ LYS A 64 2.151 2.337 -7.051 1.00 0.00 N ATOM 0 H LYS A 64 -4.452 1.903 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.571 1.157 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.061 2.004 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.623 3.589 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.867 3.706 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.330 2.089 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.082 2.930 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.242 4.548 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.151 4.199 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.579 4.270 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.172 2.441 -6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.703 1.915 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.997 1.719 -7.873 1.00 0.00 H new ATOM 1035 N GLU A 65 -4.273 3.952 -5.391 1.00 0.00 N ATOM 1036 CA GLU A 65 -4.600 4.980 -4.422 1.00 0.00 C ATOM 1037 C GLU A 65 -5.340 4.369 -3.246 1.00 0.00 C ATOM 1038 O GLU A 65 -5.148 4.776 -2.102 1.00 0.00 O ATOM 1039 CB GLU A 65 -5.433 6.090 -5.059 1.00 0.00 C ATOM 1040 CG GLU A 65 -5.775 7.201 -4.082 1.00 0.00 C ATOM 1041 CD GLU A 65 -6.360 8.416 -4.755 1.00 0.00 C ATOM 1042 OE1 GLU A 65 -5.580 9.227 -5.293 1.00 0.00 O ATOM 1043 OE2 GLU A 65 -7.593 8.580 -4.727 1.00 0.00 O ATOM 0 H GLU A 65 -4.794 4.009 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.670 5.423 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.886 6.510 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.355 5.665 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.484 6.824 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.875 7.491 -3.540 1.00 0.00 H new ATOM 1050 N PHE A 66 -6.176 3.385 -3.538 1.00 0.00 N ATOM 1051 CA PHE A 66 -6.873 2.637 -2.501 1.00 0.00 C ATOM 1052 C PHE A 66 -5.867 2.079 -1.493 1.00 0.00 C ATOM 1053 O PHE A 66 -6.023 2.242 -0.281 1.00 0.00 O ATOM 1054 CB PHE A 66 -7.683 1.504 -3.140 1.00 0.00 C ATOM 1055 CG PHE A 66 -8.469 0.686 -2.157 1.00 0.00 C ATOM 1056 CD1 PHE A 66 -9.654 1.168 -1.626 1.00 0.00 C ATOM 1057 CD2 PHE A 66 -8.026 -0.570 -1.772 1.00 0.00 C ATOM 1058 CE1 PHE A 66 -10.379 0.413 -0.726 1.00 0.00 C ATOM 1059 CE2 PHE A 66 -8.747 -1.327 -0.873 1.00 0.00 C ATOM 1060 CZ PHE A 66 -9.925 -0.835 -0.350 1.00 0.00 C ATOM 0 H PHE A 66 -6.390 3.084 -4.489 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.557 3.301 -1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.368 1.930 -3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.004 0.847 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.014 2.143 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.106 -0.960 -2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -11.301 0.799 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.390 -2.303 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.492 -1.426 0.354 1.00 0.00 H new ATOM 1070 N VAL A 67 -4.815 1.456 -2.013 1.00 0.00 N ATOM 1071 CA VAL A 67 -3.765 0.884 -1.181 1.00 0.00 C ATOM 1072 C VAL A 67 -2.984 1.958 -0.419 1.00 0.00 C ATOM 1073 O VAL A 67 -2.782 1.836 0.791 1.00 0.00 O ATOM 1074 CB VAL A 67 -2.797 0.033 -2.029 1.00 0.00 C ATOM 1075 CG1 VAL A 67 -1.567 -0.378 -1.232 1.00 0.00 C ATOM 1076 CG2 VAL A 67 -3.520 -1.192 -2.559 1.00 0.00 C ATOM 0 H VAL A 67 -4.667 1.334 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.256 0.245 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.455 0.641 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.908 -0.976 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.037 0.513 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.874 -0.966 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.832 -1.790 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.886 -1.788 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.361 -0.879 -3.178 1.00 0.00 H new ATOM 1086 N ARG A 68 -2.561 3.017 -1.115 1.00 0.00 N ATOM 1087 CA ARG A 68 -1.747 4.053 -0.476 1.00 0.00 C ATOM 1088 C ARG A 68 -2.539 4.778 0.609 1.00 0.00 C ATOM 1089 O ARG A 68 -1.967 5.235 1.595 1.00 0.00 O ATOM 1090 CB ARG A 68 -1.179 5.060 -1.495 1.00 0.00 C ATOM 1091 CG ARG A 68 -2.202 6.010 -2.098 1.00 0.00 C ATOM 1092 CD ARG A 68 -1.528 7.070 -2.956 1.00 0.00 C ATOM 1093 NE ARG A 68 -2.492 7.992 -3.562 1.00 0.00 N ATOM 1094 CZ ARG A 68 -2.226 9.270 -3.850 1.00 0.00 C ATOM 1095 NH1 ARG A 68 -1.032 9.785 -3.574 1.00 0.00 N ATOM 1096 NH2 ARG A 68 -3.154 10.036 -4.418 1.00 0.00 N ATOM 0 H ARG A 68 -2.764 3.178 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.900 3.548 -0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.402 5.649 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.700 4.506 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.913 5.447 -2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.770 6.490 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.824 7.635 -2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.950 6.584 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.424 7.637 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.314 9.204 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.834 10.761 -3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.072 9.648 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.947 11.011 -4.636 1.00 0.00 H new ATOM 1110 N ARG A 69 -3.858 4.867 0.436 1.00 0.00 N ATOM 1111 CA ARG A 69 -4.714 5.452 1.462 1.00 0.00 C ATOM 1112 C ARG A 69 -4.682 4.601 2.725 1.00 0.00 C ATOM 1113 O ARG A 69 -4.488 5.119 3.822 1.00 0.00 O ATOM 1114 CB ARG A 69 -6.162 5.587 0.979 1.00 0.00 C ATOM 1115 CG ARG A 69 -6.370 6.645 -0.094 1.00 0.00 C ATOM 1116 CD ARG A 69 -7.839 6.764 -0.480 1.00 0.00 C ATOM 1117 NE ARG A 69 -8.052 7.695 -1.590 1.00 0.00 N ATOM 1118 CZ ARG A 69 -9.080 8.542 -1.673 1.00 0.00 C ATOM 1119 NH1 ARG A 69 -9.968 8.612 -0.688 1.00 0.00 N ATOM 1120 NH2 ARG A 69 -9.214 9.315 -2.743 1.00 0.00 N ATOM 0 H ARG A 69 -4.351 4.544 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.329 6.448 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.494 4.624 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.797 5.823 1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.008 7.608 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.780 6.393 -0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.220 5.781 -0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.413 7.097 0.385 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.371 7.696 -2.349 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.865 8.018 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.753 9.260 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.532 9.261 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.999 9.963 -2.809 1.00 0.00 H new ATOM 1134 N LEU A 70 -4.858 3.292 2.557 1.00 0.00 N ATOM 1135 CA LEU A 70 -4.910 2.367 3.687 1.00 0.00 C ATOM 1136 C LEU A 70 -3.601 2.372 4.471 1.00 0.00 C ATOM 1137 O LEU A 70 -3.604 2.443 5.700 1.00 0.00 O ATOM 1138 CB LEU A 70 -5.211 0.945 3.201 1.00 0.00 C ATOM 1139 CG LEU A 70 -6.536 0.771 2.456 1.00 0.00 C ATOM 1140 CD1 LEU A 70 -6.712 -0.673 2.015 1.00 0.00 C ATOM 1141 CD2 LEU A 70 -7.706 1.208 3.323 1.00 0.00 C ATOM 0 H LEU A 70 -4.967 2.847 1.646 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.709 2.701 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.401 0.624 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.208 0.277 4.062 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.514 1.405 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.659 -0.779 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.893 -0.953 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.709 -1.323 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.637 1.075 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.732 0.604 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.589 2.258 3.589 1.00 0.00 H new ATOM 1153 N ALA A 71 -2.486 2.315 3.755 1.00 0.00 N ATOM 1154 CA ALA A 71 -1.172 2.269 4.387 1.00 0.00 C ATOM 1155 C ALA A 71 -0.820 3.600 5.044 1.00 0.00 C ATOM 1156 O ALA A 71 -0.024 3.652 5.981 1.00 0.00 O ATOM 1157 CB ALA A 71 -0.113 1.886 3.366 1.00 0.00 C ATOM 0 H ALA A 71 -2.464 2.299 2.735 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.203 1.512 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.864 1.855 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.345 0.905 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.098 2.624 2.564 1.00 0.00 H new ATOM 1163 N LYS A 72 -1.423 4.676 4.555 1.00 0.00 N ATOM 1164 CA LYS A 72 -1.138 6.004 5.075 1.00 0.00 C ATOM 1165 C LYS A 72 -2.200 6.423 6.093 1.00 0.00 C ATOM 1166 O LYS A 72 -2.180 7.542 6.610 1.00 0.00 O ATOM 1167 CB LYS A 72 -1.061 7.007 3.918 1.00 0.00 C ATOM 1168 CG LYS A 72 -0.436 8.341 4.288 1.00 0.00 C ATOM 1169 CD LYS A 72 -0.209 9.201 3.057 1.00 0.00 C ATOM 1170 CE LYS A 72 0.447 10.522 3.416 1.00 0.00 C ATOM 1171 NZ LYS A 72 0.763 11.333 2.213 1.00 0.00 N ATOM 0 H LYS A 72 -2.110 4.654 3.801 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.176 5.987 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.486 6.563 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.067 7.183 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.084 8.868 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.513 8.172 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.418 8.663 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.162 9.389 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.215 11.089 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.363 10.331 3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.752 12.343 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.706 11.075 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.053 11.151 1.475 1.00 0.00 H new ATOM 1185 N SER A 73 -3.122 5.516 6.386 1.00 0.00 N ATOM 1186 CA SER A 73 -4.159 5.779 7.373 1.00 0.00 C ATOM 1187 C SER A 73 -3.590 5.690 8.789 1.00 0.00 C ATOM 1188 O SER A 73 -2.660 4.922 9.041 1.00 0.00 O ATOM 1189 CB SER A 73 -5.319 4.792 7.208 1.00 0.00 C ATOM 1190 OG SER A 73 -5.975 4.972 5.967 1.00 0.00 O ATOM 0 H SER A 73 -3.173 4.593 5.955 1.00 0.00 H new ATOM 0 HA SER A 73 -4.534 6.790 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.943 3.771 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.032 4.926 8.021 1.00 0.00 H new ATOM 0 HG SER A 73 -5.362 4.745 5.237 1.00 0.00 H new ATOM 1196 N PRO A 74 -4.151 6.472 9.733 1.00 0.00 N ATOM 1197 CA PRO A 74 -3.702 6.493 11.134 1.00 0.00 C ATOM 1198 C PRO A 74 -3.707 5.108 11.775 1.00 0.00 C ATOM 1199 O PRO A 74 -2.945 4.844 12.700 1.00 0.00 O ATOM 1200 CB PRO A 74 -4.716 7.410 11.835 1.00 0.00 C ATOM 1201 CG PRO A 74 -5.855 7.547 10.882 1.00 0.00 C ATOM 1202 CD PRO A 74 -5.263 7.411 9.511 1.00 0.00 C ATOM 0 HA PRO A 74 -2.671 6.839 11.215 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.045 6.980 12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.276 8.381 12.062 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.608 6.779 11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.349 8.511 11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.986 7.021 8.794 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.914 8.368 9.123 1.00 0.00 H new ATOM 1210 N LEU A 75 -4.565 4.224 11.275 1.00 0.00 N ATOM 1211 CA LEU A 75 -4.634 2.857 11.774 1.00 0.00 C ATOM 1212 C LEU A 75 -3.300 2.140 11.557 1.00 0.00 C ATOM 1213 O LEU A 75 -2.672 1.676 12.511 1.00 0.00 O ATOM 1214 CB LEU A 75 -5.767 2.097 11.081 1.00 0.00 C ATOM 1215 CG LEU A 75 -5.987 0.662 11.573 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -6.334 0.643 13.054 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -7.079 -0.017 10.762 1.00 0.00 C ATOM 0 H LEU A 75 -5.223 4.432 10.523 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.838 2.888 12.844 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.693 2.656 11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.563 2.070 10.011 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.057 0.110 11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.485 -0.386 13.379 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.519 1.088 13.624 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.247 1.214 13.221 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.222 -1.035 11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.010 0.540 10.867 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.789 -0.044 9.712 1.00 0.00 H new ATOM 1229 N TYR A 76 -2.862 2.078 10.303 1.00 0.00 N ATOM 1230 CA TYR A 76 -1.593 1.442 9.962 1.00 0.00 C ATOM 1231 C TYR A 76 -0.438 2.242 10.560 1.00 0.00 C ATOM 1232 O TYR A 76 0.549 1.677 11.035 1.00 0.00 O ATOM 1233 CB TYR A 76 -1.448 1.345 8.434 1.00 0.00 C ATOM 1234 CG TYR A 76 -0.252 0.537 7.974 1.00 0.00 C ATOM 1235 CD1 TYR A 76 0.997 1.127 7.820 1.00 0.00 C ATOM 1236 CD2 TYR A 76 -0.375 -0.818 7.693 1.00 0.00 C ATOM 1237 CE1 TYR A 76 2.088 0.390 7.402 1.00 0.00 C ATOM 1238 CE2 TYR A 76 0.713 -1.562 7.273 1.00 0.00 C ATOM 1239 CZ TYR A 76 1.942 -0.955 7.130 1.00 0.00 C ATOM 1240 OH TYR A 76 3.031 -1.692 6.716 1.00 0.00 O ATOM 0 H TYR A 76 -3.368 2.461 9.505 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.572 0.434 10.376 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.353 0.900 8.022 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.372 2.352 8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.117 2.179 8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.336 -1.298 7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.051 0.865 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.600 -2.614 7.058 1.00 0.00 H new ATOM 0 HH TYR A 76 2.801 -2.645 6.719 1.00 0.00 H new ATOM 1250 N ARG A 77 -0.596 3.560 10.555 1.00 0.00 N ATOM 1251 CA ARG A 77 0.415 4.474 11.074 1.00 0.00 C ATOM 1252 C ARG A 77 0.660 4.240 12.563 1.00 0.00 C ATOM 1253 O ARG A 77 1.770 4.425 13.054 1.00 0.00 O ATOM 1254 CB ARG A 77 -0.021 5.922 10.831 1.00 0.00 C ATOM 1255 CG ARG A 77 1.030 6.957 11.197 1.00 0.00 C ATOM 1256 CD ARG A 77 0.528 8.368 10.931 1.00 0.00 C ATOM 1257 NE ARG A 77 1.573 9.372 11.134 1.00 0.00 N ATOM 1258 CZ ARG A 77 1.545 10.594 10.603 1.00 0.00 C ATOM 1259 NH1 ARG A 77 0.509 10.978 9.866 1.00 0.00 N ATOM 1260 NH2 ARG A 77 2.546 11.434 10.820 1.00 0.00 N ATOM 0 H ARG A 77 -1.428 4.025 10.191 1.00 0.00 H new ATOM 0 HA ARG A 77 1.350 4.285 10.547 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.281 6.040 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.925 6.119 11.407 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.294 6.854 12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.938 6.777 10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.157 8.433 9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.313 8.583 11.590 1.00 0.00 H new ATOM 0 HE ARG A 77 2.371 9.121 11.717 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.268 10.337 9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.490 11.914 9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.339 11.146 11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.524 12.369 10.413 1.00 0.00 H new ATOM 1274 N LYS A 78 -0.375 3.828 13.277 1.00 0.00 N ATOM 1275 CA LYS A 78 -0.257 3.597 14.706 1.00 0.00 C ATOM 1276 C LYS A 78 0.141 2.153 15.002 1.00 0.00 C ATOM 1277 O LYS A 78 1.117 1.908 15.704 1.00 0.00 O ATOM 1278 CB LYS A 78 -1.568 3.942 15.418 1.00 0.00 C ATOM 1279 CG LYS A 78 -1.529 3.697 16.919 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.818 4.137 17.599 1.00 0.00 C ATOM 1281 CE LYS A 78 -3.025 5.641 17.498 1.00 0.00 C ATOM 1282 NZ LYS A 78 -4.209 6.090 18.275 1.00 0.00 N ATOM 0 H LYS A 78 -1.302 3.648 12.892 1.00 0.00 H new ATOM 0 HA LYS A 78 0.530 4.250 15.084 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.806 4.990 15.235 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.374 3.352 14.983 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.361 2.637 17.110 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.687 4.236 17.353 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.664 3.622 17.143 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.794 3.843 18.648 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.135 6.155 17.862 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.150 5.921 16.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.316 7.120 18.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.062 5.619 17.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.079 5.846 19.278 1.00 0.00 H new ATOM 1296 N GLN A 79 -0.598 1.203 14.442 1.00 0.00 N ATOM 1297 CA GLN A 79 -0.407 -0.212 14.761 1.00 0.00 C ATOM 1298 C GLN A 79 1.004 -0.699 14.425 1.00 0.00 C ATOM 1299 O GLN A 79 1.526 -1.601 15.077 1.00 0.00 O ATOM 1300 CB GLN A 79 -1.441 -1.065 14.021 1.00 0.00 C ATOM 1301 CG GLN A 79 -2.872 -0.826 14.479 1.00 0.00 C ATOM 1302 CD GLN A 79 -3.095 -1.227 15.925 1.00 0.00 C ATOM 1303 OE1 GLN A 79 -2.459 -2.150 16.432 1.00 0.00 O ATOM 1304 NE2 GLN A 79 -3.994 -0.532 16.600 1.00 0.00 N ATOM 0 H GLN A 79 -1.337 1.384 13.763 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.543 -0.319 15.837 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.372 -0.859 12.953 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.196 -2.118 14.159 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.118 0.229 14.356 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.553 -1.389 13.840 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.501 0.226 16.143 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.181 -0.754 17.578 1.00 0.00 H new ATOM 1313 N PHE A 80 1.623 -0.091 13.424 1.00 0.00 N ATOM 1314 CA PHE A 80 2.924 -0.546 12.951 1.00 0.00 C ATOM 1315 C PHE A 80 4.039 0.430 13.327 1.00 0.00 C ATOM 1316 O PHE A 80 5.139 0.358 12.783 1.00 0.00 O ATOM 1317 CB PHE A 80 2.883 -0.755 11.433 1.00 0.00 C ATOM 1318 CG PHE A 80 1.989 -1.889 11.005 1.00 0.00 C ATOM 1319 CD1 PHE A 80 0.611 -1.745 10.997 1.00 0.00 C ATOM 1320 CD2 PHE A 80 2.532 -3.102 10.612 1.00 0.00 C ATOM 1321 CE1 PHE A 80 -0.208 -2.786 10.608 1.00 0.00 C ATOM 1322 CE2 PHE A 80 1.718 -4.147 10.221 1.00 0.00 C ATOM 1323 CZ PHE A 80 0.346 -3.989 10.219 1.00 0.00 C ATOM 0 H PHE A 80 1.248 0.716 12.925 1.00 0.00 H new ATOM 0 HA PHE A 80 3.146 -1.495 13.440 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.543 0.165 10.957 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.894 -0.945 11.073 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.172 -0.806 11.299 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.604 -3.232 10.611 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.281 -2.659 10.608 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.154 -5.087 9.917 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.292 -4.805 9.914 1.00 0.00 H new ATOM 1333 N PHE A 81 3.766 1.324 14.271 1.00 0.00 N ATOM 1334 CA PHE A 81 4.772 2.294 14.700 1.00 0.00 C ATOM 1335 C PHE A 81 4.716 2.530 16.210 1.00 0.00 C ATOM 1336 O PHE A 81 5.748 2.721 16.848 1.00 0.00 O ATOM 1337 CB PHE A 81 4.589 3.615 13.946 1.00 0.00 C ATOM 1338 CG PHE A 81 5.660 4.631 14.228 1.00 0.00 C ATOM 1339 CD1 PHE A 81 6.901 4.532 13.621 1.00 0.00 C ATOM 1340 CD2 PHE A 81 5.421 5.687 15.092 1.00 0.00 C ATOM 1341 CE1 PHE A 81 7.887 5.466 13.873 1.00 0.00 C ATOM 1342 CE2 PHE A 81 6.403 6.624 15.349 1.00 0.00 C ATOM 1343 CZ PHE A 81 7.637 6.514 14.738 1.00 0.00 C ATOM 0 H PHE A 81 2.869 1.399 14.750 1.00 0.00 H new ATOM 0 HA PHE A 81 5.754 1.883 14.465 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.568 3.411 12.875 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.620 4.040 14.208 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.100 3.715 12.943 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.457 5.779 15.570 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.851 5.377 13.395 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.206 7.442 16.027 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.406 7.246 14.936 1.00 0.00 H new ATOM 1353 N GLU A 82 3.513 2.505 16.775 1.00 0.00 N ATOM 1354 CA GLU A 82 3.321 2.734 18.208 1.00 0.00 C ATOM 1355 C GLU A 82 4.166 1.770 19.060 1.00 0.00 C ATOM 1356 O GLU A 82 4.921 2.220 19.923 1.00 0.00 O ATOM 1357 CB GLU A 82 1.832 2.622 18.569 1.00 0.00 C ATOM 1358 CG GLU A 82 1.517 2.895 20.027 1.00 0.00 C ATOM 1359 CD GLU A 82 1.722 4.344 20.411 1.00 0.00 C ATOM 1360 OE1 GLU A 82 0.843 5.173 20.098 1.00 0.00 O ATOM 1361 OE2 GLU A 82 2.752 4.657 21.038 1.00 0.00 O ATOM 0 H GLU A 82 2.650 2.328 16.261 1.00 0.00 H new ATOM 0 HA GLU A 82 3.662 3.744 18.433 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.268 3.321 17.951 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.484 1.620 18.316 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.484 2.613 20.229 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.148 2.265 20.654 1.00 0.00 H new ATOM 1368 N PRO A 83 4.085 0.438 18.836 1.00 0.00 N ATOM 1369 CA PRO A 83 4.864 -0.527 19.595 1.00 0.00 C ATOM 1370 C PRO A 83 6.177 -0.872 18.899 1.00 0.00 C ATOM 1371 O PRO A 83 6.785 -1.907 19.170 1.00 0.00 O ATOM 1372 CB PRO A 83 3.942 -1.753 19.641 1.00 0.00 C ATOM 1373 CG PRO A 83 2.919 -1.555 18.555 1.00 0.00 C ATOM 1374 CD PRO A 83 3.245 -0.258 17.856 1.00 0.00 C ATOM 0 HA PRO A 83 5.150 -0.152 20.578 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.508 -2.671 19.479 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.462 -1.842 20.616 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.942 -2.386 17.851 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.914 -1.522 18.976 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.773 -0.426 16.918 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.346 0.310 17.618 1.00 0.00 H new ATOM 1382 N PHE A 84 6.608 0.003 18.000 1.00 0.00 N ATOM 1383 CA PHE A 84 7.806 -0.239 17.214 1.00 0.00 C ATOM 1384 C PHE A 84 8.649 1.024 17.104 1.00 0.00 C ATOM 1385 O PHE A 84 8.361 2.037 17.742 1.00 0.00 O ATOM 1386 CB PHE A 84 7.439 -0.731 15.808 1.00 0.00 C ATOM 1387 CG PHE A 84 6.724 -2.053 15.791 1.00 0.00 C ATOM 1388 CD1 PHE A 84 7.421 -3.233 15.996 1.00 0.00 C ATOM 1389 CD2 PHE A 84 5.357 -2.114 15.576 1.00 0.00 C ATOM 1390 CE1 PHE A 84 6.767 -4.449 15.986 1.00 0.00 C ATOM 1391 CE2 PHE A 84 4.697 -3.327 15.567 1.00 0.00 C ATOM 1392 CZ PHE A 84 5.403 -4.496 15.772 1.00 0.00 C ATOM 0 H PHE A 84 6.143 0.888 17.798 1.00 0.00 H new ATOM 0 HA PHE A 84 8.387 -1.008 17.724 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.810 0.017 15.325 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.349 -0.814 15.214 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.487 -3.201 16.165 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.801 -1.203 15.414 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.321 -5.362 16.145 1.00 0.00 H new ATOM 0 HE2 PHE A 84 3.631 -3.361 15.400 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.889 -5.446 15.765 1.00 0.00 H new ATOM 1402 N ILE A 85 9.695 0.945 16.293 1.00 0.00 N ATOM 1403 CA ILE A 85 10.568 2.081 16.035 1.00 0.00 C ATOM 1404 C ILE A 85 10.711 2.296 14.532 1.00 0.00 C ATOM 1405 O ILE A 85 10.149 1.535 13.742 1.00 0.00 O ATOM 1406 CB ILE A 85 11.962 1.880 16.670 1.00 0.00 C ATOM 1407 CG1 ILE A 85 12.542 0.517 16.273 1.00 0.00 C ATOM 1408 CG2 ILE A 85 11.883 2.015 18.185 1.00 0.00 C ATOM 1409 CD1 ILE A 85 13.908 0.241 16.867 1.00 0.00 C ATOM 0 H ILE A 85 9.961 0.094 15.797 1.00 0.00 H new ATOM 0 HA ILE A 85 10.114 2.962 16.490 1.00 0.00 H new ATOM 0 HB ILE A 85 12.629 2.656 16.294 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.853 -0.267 16.588 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.610 0.463 15.186 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.874 1.870 18.615 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.517 3.009 18.443 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.202 1.263 18.582 1.00 0.00 H new ATOM 0 HD11 ILE A 85 14.254 -0.740 16.543 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.611 1.003 16.532 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.843 0.261 17.955 1.00 0.00 H new ATOM 1421 N ASN A 86 11.474 3.312 14.145 1.00 0.00 N ATOM 1422 CA ASN A 86 11.630 3.679 12.734 1.00 0.00 C ATOM 1423 C ASN A 86 12.159 2.506 11.915 1.00 0.00 C ATOM 1424 O ASN A 86 11.629 2.191 10.851 1.00 0.00 O ATOM 1425 CB ASN A 86 12.589 4.865 12.582 1.00 0.00 C ATOM 1426 CG ASN A 86 12.178 6.075 13.396 1.00 0.00 C ATOM 1427 OD1 ASN A 86 12.544 6.197 14.564 1.00 0.00 O ATOM 1428 ND2 ASN A 86 11.439 6.990 12.785 1.00 0.00 N ATOM 0 H ASN A 86 11.999 3.902 14.790 1.00 0.00 H new ATOM 0 HA ASN A 86 10.644 3.959 12.363 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.590 4.555 12.884 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.646 5.145 11.530 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.154 7.832 13.285 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.156 6.852 11.815 1.00 0.00 H new ATOM 1435 N SER A 87 13.196 1.851 12.423 1.00 0.00 N ATOM 1436 CA SER A 87 13.829 0.749 11.711 1.00 0.00 C ATOM 1437 C SER A 87 12.881 -0.441 11.566 1.00 0.00 C ATOM 1438 O SER A 87 12.922 -1.159 10.568 1.00 0.00 O ATOM 1439 CB SER A 87 15.106 0.338 12.437 1.00 0.00 C ATOM 1440 OG SER A 87 14.892 0.299 13.836 1.00 0.00 O ATOM 0 H SER A 87 13.617 2.065 13.327 1.00 0.00 H new ATOM 0 HA SER A 87 14.081 1.086 10.705 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.432 -0.641 12.086 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.905 1.042 12.205 1.00 0.00 H new ATOM 0 HG SER A 87 15.720 0.032 14.286 1.00 0.00 H new ATOM 1446 N ARG A 88 12.017 -0.630 12.555 1.00 0.00 N ATOM 1447 CA ARG A 88 11.056 -1.725 12.531 1.00 0.00 C ATOM 1448 C ARG A 88 9.868 -1.400 11.637 1.00 0.00 C ATOM 1449 O ARG A 88 9.361 -2.273 10.931 1.00 0.00 O ATOM 1450 CB ARG A 88 10.594 -2.066 13.947 1.00 0.00 C ATOM 1451 CG ARG A 88 11.447 -3.142 14.594 1.00 0.00 C ATOM 1452 CD ARG A 88 11.146 -4.502 13.987 1.00 0.00 C ATOM 1453 NE ARG A 88 12.333 -5.351 13.907 1.00 0.00 N ATOM 1454 CZ ARG A 88 12.624 -6.321 14.777 1.00 0.00 C ATOM 1455 NH1 ARG A 88 11.863 -6.512 15.847 1.00 0.00 N ATOM 1456 NH2 ARG A 88 13.686 -7.089 14.583 1.00 0.00 N ATOM 0 H ARG A 88 11.962 -0.039 13.384 1.00 0.00 H new ATOM 0 HA ARG A 88 11.555 -2.599 12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 88 10.622 -1.166 14.561 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.556 -2.399 13.917 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.503 -2.905 14.462 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.258 -3.167 15.667 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.384 -5.003 14.584 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.731 -4.367 12.988 1.00 0.00 H new ATOM 0 HE ARG A 88 12.982 -5.192 13.136 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.051 -5.916 16.008 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.090 -7.255 16.508 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.282 -6.939 13.769 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.908 -7.830 15.248 1.00 0.00 H new ATOM 1470 N ALA A 89 9.437 -0.146 11.655 1.00 0.00 N ATOM 1471 CA ALA A 89 8.370 0.303 10.772 1.00 0.00 C ATOM 1472 C ALA A 89 8.820 0.186 9.322 1.00 0.00 C ATOM 1473 O ALA A 89 8.025 -0.116 8.431 1.00 0.00 O ATOM 1474 CB ALA A 89 7.974 1.736 11.099 1.00 0.00 C ATOM 0 H ALA A 89 9.809 0.577 12.270 1.00 0.00 H new ATOM 0 HA ALA A 89 7.495 -0.330 10.921 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.175 2.055 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.626 1.791 12.130 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.837 2.390 10.972 1.00 0.00 H new ATOM 1480 N LEU A 90 10.113 0.411 9.108 1.00 0.00 N ATOM 1481 CA LEU A 90 10.728 0.259 7.796 1.00 0.00 C ATOM 1482 C LEU A 90 10.503 -1.157 7.264 1.00 0.00 C ATOM 1483 O LEU A 90 10.017 -1.345 6.148 1.00 0.00 O ATOM 1484 CB LEU A 90 12.230 0.542 7.899 1.00 0.00 C ATOM 1485 CG LEU A 90 12.975 0.674 6.571 1.00 0.00 C ATOM 1486 CD1 LEU A 90 12.574 1.957 5.865 1.00 0.00 C ATOM 1487 CD2 LEU A 90 14.480 0.639 6.795 1.00 0.00 C ATOM 0 H LEU A 90 10.762 0.703 9.839 1.00 0.00 H new ATOM 0 HA LEU A 90 10.270 0.968 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.369 1.463 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.693 -0.259 8.475 1.00 0.00 H new ATOM 0 HG LEU A 90 12.703 -0.171 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.113 2.037 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.502 1.945 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.819 2.811 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.993 0.734 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.770 1.464 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.756 -0.306 7.262 1.00 0.00 H new ATOM 1499 N GLU A 91 10.843 -2.146 8.087 1.00 0.00 N ATOM 1500 CA GLU A 91 10.700 -3.552 7.716 1.00 0.00 C ATOM 1501 C GLU A 91 9.242 -3.898 7.424 1.00 0.00 C ATOM 1502 O GLU A 91 8.935 -4.564 6.433 1.00 0.00 O ATOM 1503 CB GLU A 91 11.224 -4.452 8.839 1.00 0.00 C ATOM 1504 CG GLU A 91 12.692 -4.233 9.164 1.00 0.00 C ATOM 1505 CD GLU A 91 13.176 -5.109 10.302 1.00 0.00 C ATOM 1506 OE1 GLU A 91 13.432 -6.309 10.066 1.00 0.00 O ATOM 1507 OE2 GLU A 91 13.315 -4.602 11.435 1.00 0.00 O ATOM 0 H GLU A 91 11.222 -1.998 9.022 1.00 0.00 H new ATOM 0 HA GLU A 91 11.285 -3.720 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.632 -4.278 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.075 -5.494 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.291 -4.435 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.850 -3.186 9.424 1.00 0.00 H new ATOM 1514 N LEU A 92 8.349 -3.431 8.285 1.00 0.00 N ATOM 1515 CA LEU A 92 6.928 -3.732 8.163 1.00 0.00 C ATOM 1516 C LEU A 92 6.339 -3.117 6.896 1.00 0.00 C ATOM 1517 O LEU A 92 5.572 -3.768 6.177 1.00 0.00 O ATOM 1518 CB LEU A 92 6.178 -3.232 9.401 1.00 0.00 C ATOM 1519 CG LEU A 92 6.642 -3.848 10.725 1.00 0.00 C ATOM 1520 CD1 LEU A 92 5.975 -3.157 11.903 1.00 0.00 C ATOM 1521 CD2 LEU A 92 6.348 -5.341 10.749 1.00 0.00 C ATOM 0 H LEU A 92 8.585 -2.838 9.081 1.00 0.00 H new ATOM 0 HA LEU A 92 6.813 -4.814 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.287 -2.149 9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.115 -3.438 9.273 1.00 0.00 H new ATOM 0 HG LEU A 92 7.719 -3.705 10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.319 -3.610 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.234 -2.098 11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.893 -3.266 11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.684 -5.763 11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.276 -5.502 10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.874 -5.829 9.928 1.00 0.00 H new ATOM 1533 N ALA A 93 6.710 -1.871 6.620 1.00 0.00 N ATOM 1534 CA ALA A 93 6.217 -1.162 5.444 1.00 0.00 C ATOM 1535 C ALA A 93 6.677 -1.846 4.161 1.00 0.00 C ATOM 1536 O ALA A 93 5.867 -2.138 3.282 1.00 0.00 O ATOM 1537 CB ALA A 93 6.675 0.287 5.467 1.00 0.00 C ATOM 0 H ALA A 93 7.353 -1.329 7.197 1.00 0.00 H new ATOM 0 HA ALA A 93 5.127 -1.184 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.299 0.802 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.291 0.776 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.764 0.324 5.472 1.00 0.00 H new ATOM 1543 N PHE A 94 7.977 -2.109 4.071 1.00 0.00 N ATOM 1544 CA PHE A 94 8.555 -2.790 2.911 1.00 0.00 C ATOM 1545 C PHE A 94 7.857 -4.122 2.640 1.00 0.00 C ATOM 1546 O PHE A 94 7.516 -4.435 1.498 1.00 0.00 O ATOM 1547 CB PHE A 94 10.050 -3.032 3.124 1.00 0.00 C ATOM 1548 CG PHE A 94 10.931 -1.925 2.620 1.00 0.00 C ATOM 1549 CD1 PHE A 94 11.088 -0.755 3.340 1.00 0.00 C ATOM 1550 CD2 PHE A 94 11.609 -2.065 1.420 1.00 0.00 C ATOM 1551 CE1 PHE A 94 11.903 0.257 2.872 1.00 0.00 C ATOM 1552 CE2 PHE A 94 12.424 -1.055 0.946 1.00 0.00 C ATOM 1553 CZ PHE A 94 12.572 0.106 1.673 1.00 0.00 C ATOM 0 H PHE A 94 8.656 -1.860 4.791 1.00 0.00 H new ATOM 0 HA PHE A 94 8.411 -2.142 2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 94 10.236 -3.173 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.331 -3.960 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.568 -0.631 4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.499 -2.975 0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.017 1.166 3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 94 12.944 -1.175 0.007 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.210 0.896 1.306 1.00 0.00 H new ATOM 1563 N ARG A 95 7.634 -4.890 3.700 1.00 0.00 N ATOM 1564 CA ARG A 95 7.022 -6.208 3.581 1.00 0.00 C ATOM 1565 C ARG A 95 5.587 -6.121 3.053 1.00 0.00 C ATOM 1566 O ARG A 95 5.127 -7.015 2.346 1.00 0.00 O ATOM 1567 CB ARG A 95 7.058 -6.917 4.938 1.00 0.00 C ATOM 1568 CG ARG A 95 6.463 -8.318 4.927 1.00 0.00 C ATOM 1569 CD ARG A 95 6.787 -9.063 6.215 1.00 0.00 C ATOM 1570 NE ARG A 95 8.223 -9.320 6.344 1.00 0.00 N ATOM 1571 CZ ARG A 95 8.959 -8.977 7.402 1.00 0.00 C ATOM 1572 NH1 ARG A 95 8.396 -8.392 8.453 1.00 0.00 N ATOM 1573 NH2 ARG A 95 10.261 -9.234 7.411 1.00 0.00 N ATOM 0 H ARG A 95 7.869 -4.621 4.655 1.00 0.00 H new ATOM 0 HA ARG A 95 7.596 -6.787 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.092 -6.977 5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.519 -6.311 5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.382 -8.256 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.852 -8.874 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.443 -8.480 7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.245 -10.008 6.235 1.00 0.00 H new ATOM 0 HE ARG A 95 8.692 -9.794 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.394 -8.202 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.966 -8.133 9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.696 -9.693 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.827 -8.973 8.219 1.00 0.00 H new ATOM 1587 N HIS A 96 4.889 -5.042 3.386 1.00 0.00 N ATOM 1588 CA HIS A 96 3.500 -4.880 2.960 1.00 0.00 C ATOM 1589 C HIS A 96 3.389 -4.248 1.579 1.00 0.00 C ATOM 1590 O HIS A 96 2.561 -4.660 0.774 1.00 0.00 O ATOM 1591 CB HIS A 96 2.716 -4.040 3.967 1.00 0.00 C ATOM 1592 CG HIS A 96 2.307 -4.805 5.184 1.00 0.00 C ATOM 1593 ND1 HIS A 96 3.116 -4.950 6.289 1.00 0.00 N ATOM 1594 CD2 HIS A 96 1.169 -5.482 5.461 1.00 0.00 C ATOM 1595 CE1 HIS A 96 2.497 -5.687 7.191 1.00 0.00 C ATOM 1596 NE2 HIS A 96 1.316 -6.025 6.717 1.00 0.00 N ATOM 0 H HIS A 96 5.256 -4.271 3.945 1.00 0.00 H new ATOM 0 HA HIS A 96 3.073 -5.882 2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.324 -3.187 4.270 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.826 -3.640 3.481 1.00 0.00 H new ATOM 0 HD1 HIS A 96 4.048 -4.550 6.394 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.307 -5.578 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.893 -5.966 8.156 1.00 0.00 H new ATOM 1605 N ILE A 97 4.214 -3.247 1.312 1.00 0.00 N ATOM 1606 CA ILE A 97 4.108 -2.488 0.072 1.00 0.00 C ATOM 1607 C ILE A 97 4.854 -3.166 -1.076 1.00 0.00 C ATOM 1608 O ILE A 97 4.291 -3.396 -2.144 1.00 0.00 O ATOM 1609 CB ILE A 97 4.640 -1.050 0.253 1.00 0.00 C ATOM 1610 CG1 ILE A 97 3.833 -0.322 1.337 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.576 -0.289 -1.066 1.00 0.00 C ATOM 1612 CD1 ILE A 97 4.348 1.065 1.659 1.00 0.00 C ATOM 0 H ILE A 97 4.962 -2.941 1.934 1.00 0.00 H new ATOM 0 HA ILE A 97 3.049 -2.449 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 97 5.682 -1.098 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.795 -0.247 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.842 -0.922 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.955 0.723 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.185 -0.801 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.543 -0.244 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.726 1.514 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.376 0.998 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.313 1.683 0.762 1.00 0.00 H new ATOM 1624 N LEU A 98 6.117 -3.494 -0.853 1.00 0.00 N ATOM 1625 CA LEU A 98 6.951 -4.032 -1.919 1.00 0.00 C ATOM 1626 C LEU A 98 6.976 -5.557 -1.888 1.00 0.00 C ATOM 1627 O LEU A 98 7.221 -6.207 -2.907 1.00 0.00 O ATOM 1628 CB LEU A 98 8.375 -3.481 -1.806 1.00 0.00 C ATOM 1629 CG LEU A 98 8.497 -1.955 -1.854 1.00 0.00 C ATOM 1630 CD1 LEU A 98 9.957 -1.538 -1.789 1.00 0.00 C ATOM 1631 CD2 LEU A 98 7.841 -1.393 -3.106 1.00 0.00 C ATOM 0 H LEU A 98 6.585 -3.399 0.048 1.00 0.00 H new ATOM 0 HA LEU A 98 6.520 -3.720 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.809 -3.834 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.974 -3.902 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 98 7.977 -1.547 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.027 -0.451 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.398 -1.900 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.495 -1.964 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.943 -0.308 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.326 -1.809 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.784 -1.659 -3.113 1.00 0.00 H new ATOM 1643 N GLY A 99 6.726 -6.126 -0.716 1.00 0.00 N ATOM 1644 CA GLY A 99 6.765 -7.569 -0.568 1.00 0.00 C ATOM 1645 C GLY A 99 8.167 -8.069 -0.283 1.00 0.00 C ATOM 1646 O GLY A 99 8.400 -9.274 -0.156 1.00 0.00 O ATOM 0 H GLY A 99 6.497 -5.614 0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.101 -7.869 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.390 -8.038 -1.478 1.00 0.00 H new ATOM 1650 N ARG A 100 9.099 -7.135 -0.178 1.00 0.00 N ATOM 1651 CA ARG A 100 10.491 -7.451 0.098 1.00 0.00 C ATOM 1652 C ARG A 100 10.991 -6.571 1.227 1.00 0.00 C ATOM 1653 O ARG A 100 10.678 -5.383 1.270 1.00 0.00 O ATOM 1654 CB ARG A 100 11.356 -7.217 -1.144 1.00 0.00 C ATOM 1655 CG ARG A 100 12.788 -7.705 -0.993 1.00 0.00 C ATOM 1656 CD ARG A 100 13.707 -7.066 -2.020 1.00 0.00 C ATOM 1657 NE ARG A 100 13.992 -5.663 -1.709 1.00 0.00 N ATOM 1658 CZ ARG A 100 14.309 -4.745 -2.623 1.00 0.00 C ATOM 1659 NH1 ARG A 100 14.354 -5.068 -3.909 1.00 0.00 N ATOM 1660 NH2 ARG A 100 14.593 -3.506 -2.251 1.00 0.00 N ATOM 0 H ARG A 100 8.912 -6.138 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 100 10.560 -8.501 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.898 -7.721 -1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.367 -6.151 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.147 -7.476 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.817 -8.789 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.642 -7.624 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.248 -7.132 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 100 13.945 -5.370 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.146 -6.022 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.597 -4.362 -4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.570 -3.252 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.835 -2.806 -2.952 1.00 0.00 H new ATOM 1674 N GLY A 101 11.754 -7.147 2.139 1.00 0.00 N ATOM 1675 CA GLY A 101 12.330 -6.364 3.206 1.00 0.00 C ATOM 1676 C GLY A 101 13.601 -5.671 2.757 1.00 0.00 C ATOM 1677 O GLY A 101 14.189 -6.063 1.742 1.00 0.00 O ATOM 0 H GLY A 101 11.984 -8.140 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.608 -5.621 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.546 -7.009 4.057 1.00 0.00 H new ATOM 1681 N PRO A 102 14.043 -4.634 3.484 1.00 0.00 N ATOM 1682 CA PRO A 102 15.280 -3.921 3.169 1.00 0.00 C ATOM 1683 C PRO A 102 16.460 -4.881 3.074 1.00 0.00 C ATOM 1684 O PRO A 102 16.833 -5.530 4.057 1.00 0.00 O ATOM 1685 CB PRO A 102 15.458 -2.942 4.337 1.00 0.00 C ATOM 1686 CG PRO A 102 14.487 -3.375 5.385 1.00 0.00 C ATOM 1687 CD PRO A 102 13.373 -4.077 4.663 1.00 0.00 C ATOM 0 HA PRO A 102 15.233 -3.415 2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.480 -2.968 4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.261 -1.917 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 102 14.963 -4.040 6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.110 -2.518 5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.922 -4.857 5.277 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.575 -3.388 4.386 1.00 0.00 H new ATOM 1695 N SER A 103 17.026 -4.987 1.885 1.00 0.00 N ATOM 1696 CA SER A 103 18.053 -5.974 1.617 1.00 0.00 C ATOM 1697 C SER A 103 19.443 -5.346 1.620 1.00 0.00 C ATOM 1698 O SER A 103 20.379 -5.895 2.204 1.00 0.00 O ATOM 1699 CB SER A 103 17.778 -6.640 0.270 1.00 0.00 C ATOM 1700 OG SER A 103 16.447 -7.130 0.208 1.00 0.00 O ATOM 0 H SER A 103 16.789 -4.398 1.087 1.00 0.00 H new ATOM 0 HA SER A 103 18.027 -6.722 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.944 -5.924 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.479 -7.460 0.116 1.00 0.00 H new ATOM 0 HG SER A 103 15.860 -6.552 0.739 1.00 0.00 H new ATOM 1706 N SER A 104 19.574 -4.197 0.976 1.00 0.00 N ATOM 1707 CA SER A 104 20.871 -3.552 0.825 1.00 0.00 C ATOM 1708 C SER A 104 21.101 -2.518 1.927 1.00 0.00 C ATOM 1709 O SER A 104 20.167 -1.847 2.357 1.00 0.00 O ATOM 1710 CB SER A 104 20.953 -2.886 -0.549 1.00 0.00 C ATOM 1711 OG SER A 104 20.553 -3.785 -1.571 1.00 0.00 O ATOM 0 H SER A 104 18.798 -3.691 0.549 1.00 0.00 H new ATOM 0 HA SER A 104 21.649 -4.311 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.317 -2.001 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.973 -2.549 -0.734 1.00 0.00 H new ATOM 0 HG SER A 104 20.611 -3.338 -2.441 1.00 0.00 H new ATOM 1717 N ARG A 105 22.347 -2.395 2.378 1.00 0.00 N ATOM 1718 CA ARG A 105 22.712 -1.417 3.402 1.00 0.00 C ATOM 1719 C ARG A 105 22.377 0.000 2.947 1.00 0.00 C ATOM 1720 O ARG A 105 21.822 0.794 3.710 1.00 0.00 O ATOM 1721 CB ARG A 105 24.202 -1.525 3.725 1.00 0.00 C ATOM 1722 CG ARG A 105 24.571 -2.783 4.489 1.00 0.00 C ATOM 1723 CD ARG A 105 23.990 -2.761 5.890 1.00 0.00 C ATOM 1724 NE ARG A 105 24.557 -1.685 6.696 1.00 0.00 N ATOM 1725 CZ ARG A 105 23.969 -1.176 7.774 1.00 0.00 C ATOM 1726 NH1 ARG A 105 22.793 -1.644 8.185 1.00 0.00 N ATOM 1727 NH2 ARG A 105 24.565 -0.204 8.446 1.00 0.00 N ATOM 0 H ARG A 105 23.126 -2.964 2.048 1.00 0.00 H new ATOM 0 HA ARG A 105 22.135 -1.633 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 105 24.769 -1.496 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 105 24.502 -0.655 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 105 24.204 -3.658 3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 105 25.656 -2.874 4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 105 22.908 -2.641 5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 105 24.179 -3.718 6.377 1.00 0.00 H new ATOM 0 HE ARG A 105 25.459 -1.300 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.337 -2.398 7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 105 22.348 -1.248 9.013 1.00 0.00 H new ATOM 0 HH21 ARG A 105 25.470 0.150 8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 105 24.119 0.191 9.274 1.00 0.00 H new ATOM 1741 N GLU A 106 22.719 0.304 1.699 1.00 0.00 N ATOM 1742 CA GLU A 106 22.383 1.584 1.091 1.00 0.00 C ATOM 1743 C GLU A 106 20.872 1.795 1.142 1.00 0.00 C ATOM 1744 O GLU A 106 20.393 2.856 1.539 1.00 0.00 O ATOM 1745 CB GLU A 106 22.877 1.599 -0.360 1.00 0.00 C ATOM 1746 CG GLU A 106 22.690 2.924 -1.085 1.00 0.00 C ATOM 1747 CD GLU A 106 23.541 4.041 -0.513 1.00 0.00 C ATOM 1748 OE1 GLU A 106 24.786 3.908 -0.508 1.00 0.00 O ATOM 1749 OE2 GLU A 106 22.970 5.056 -0.066 1.00 0.00 O ATOM 0 H GLU A 106 23.234 -0.327 1.085 1.00 0.00 H new ATOM 0 HA GLU A 106 22.866 2.393 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.936 1.341 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.354 0.820 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.935 2.792 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.640 3.213 -1.035 1.00 0.00 H new ATOM 1756 N GLU A 107 20.143 0.752 0.757 1.00 0.00 N ATOM 1757 CA GLU A 107 18.684 0.745 0.777 1.00 0.00 C ATOM 1758 C GLU A 107 18.147 1.042 2.176 1.00 0.00 C ATOM 1759 O GLU A 107 17.331 1.949 2.355 1.00 0.00 O ATOM 1760 CB GLU A 107 18.194 -0.621 0.295 1.00 0.00 C ATOM 1761 CG GLU A 107 16.702 -0.853 0.431 1.00 0.00 C ATOM 1762 CD GLU A 107 16.336 -2.296 0.153 1.00 0.00 C ATOM 1763 OE1 GLU A 107 17.256 -3.109 -0.085 1.00 0.00 O ATOM 1764 OE2 GLU A 107 15.139 -2.631 0.175 1.00 0.00 O ATOM 0 H GLU A 107 20.552 -0.119 0.420 1.00 0.00 H new ATOM 0 HA GLU A 107 18.314 1.528 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.471 -0.740 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.719 -1.396 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.381 -0.583 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.167 -0.201 -0.260 1.00 0.00 H new ATOM 1771 N VAL A 108 18.628 0.279 3.159 1.00 0.00 N ATOM 1772 CA VAL A 108 18.204 0.433 4.550 1.00 0.00 C ATOM 1773 C VAL A 108 18.319 1.882 4.999 1.00 0.00 C ATOM 1774 O VAL A 108 17.328 2.512 5.353 1.00 0.00 O ATOM 1775 CB VAL A 108 19.049 -0.442 5.509 1.00 0.00 C ATOM 1776 CG1 VAL A 108 18.631 -0.216 6.955 1.00 0.00 C ATOM 1777 CG2 VAL A 108 18.934 -1.916 5.157 1.00 0.00 C ATOM 0 H VAL A 108 19.318 -0.458 3.014 1.00 0.00 H new ATOM 0 HA VAL A 108 17.164 0.111 4.592 1.00 0.00 H new ATOM 0 HB VAL A 108 20.091 -0.144 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 108 19.237 -0.841 7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 108 18.776 0.832 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 108 17.580 -0.478 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 108 19.538 -2.503 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.892 -2.228 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 108 19.289 -2.076 4.139 1.00 0.00 H new ATOM 1787 N GLN A 109 19.531 2.409 4.944 1.00 0.00 N ATOM 1788 CA GLN A 109 19.820 3.735 5.472 1.00 0.00 C ATOM 1789 C GLN A 109 19.158 4.831 4.640 1.00 0.00 C ATOM 1790 O GLN A 109 18.861 5.913 5.150 1.00 0.00 O ATOM 1791 CB GLN A 109 21.330 3.937 5.525 1.00 0.00 C ATOM 1792 CG GLN A 109 22.035 2.899 6.383 1.00 0.00 C ATOM 1793 CD GLN A 109 23.529 2.854 6.142 1.00 0.00 C ATOM 1794 OE1 GLN A 109 24.003 3.133 5.039 1.00 0.00 O ATOM 1795 NE2 GLN A 109 24.284 2.485 7.162 1.00 0.00 N ATOM 0 H GLN A 109 20.337 1.936 4.536 1.00 0.00 H new ATOM 0 HA GLN A 109 19.407 3.805 6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.733 3.899 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.545 4.931 5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 109 21.848 3.116 7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 109 21.609 1.916 6.180 1.00 0.00 H new ATOM 0 HE21 GLN A 109 23.855 2.262 8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 109 25.296 2.423 7.051 1.00 0.00 H new ATOM 1804 N LYS A 110 18.911 4.539 3.368 1.00 0.00 N ATOM 1805 CA LYS A 110 18.284 5.502 2.470 1.00 0.00 C ATOM 1806 C LYS A 110 16.847 5.764 2.902 1.00 0.00 C ATOM 1807 O LYS A 110 16.459 6.901 3.166 1.00 0.00 O ATOM 1808 CB LYS A 110 18.305 4.982 1.031 1.00 0.00 C ATOM 1809 CG LYS A 110 17.854 6.001 0.001 1.00 0.00 C ATOM 1810 CD LYS A 110 17.735 5.375 -1.377 1.00 0.00 C ATOM 1811 CE LYS A 110 17.390 6.410 -2.434 1.00 0.00 C ATOM 1812 NZ LYS A 110 18.523 7.333 -2.700 1.00 0.00 N ATOM 0 H LYS A 110 19.135 3.643 2.935 1.00 0.00 H new ATOM 0 HA LYS A 110 18.847 6.434 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 110 19.317 4.657 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.663 4.103 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 110 16.892 6.420 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 110 18.565 6.827 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 110 18.674 4.887 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 110 16.968 4.601 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 110 17.109 5.905 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 110 16.523 6.985 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 18.318 7.899 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 18.654 7.966 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 19.391 6.782 -2.853 1.00 0.00 H new ATOM 1826 N TYR A 111 16.067 4.698 2.997 1.00 0.00 N ATOM 1827 CA TYR A 111 14.666 4.816 3.367 1.00 0.00 C ATOM 1828 C TYR A 111 14.514 5.033 4.867 1.00 0.00 C ATOM 1829 O TYR A 111 13.506 5.569 5.326 1.00 0.00 O ATOM 1830 CB TYR A 111 13.888 3.581 2.918 1.00 0.00 C ATOM 1831 CG TYR A 111 13.757 3.469 1.414 1.00 0.00 C ATOM 1832 CD1 TYR A 111 12.690 4.059 0.749 1.00 0.00 C ATOM 1833 CD2 TYR A 111 14.699 2.779 0.660 1.00 0.00 C ATOM 1834 CE1 TYR A 111 12.564 3.963 -0.624 1.00 0.00 C ATOM 1835 CE2 TYR A 111 14.579 2.680 -0.713 1.00 0.00 C ATOM 1836 CZ TYR A 111 13.511 3.272 -1.349 1.00 0.00 C ATOM 1837 OH TYR A 111 13.389 3.178 -2.718 1.00 0.00 O ATOM 0 H TYR A 111 16.380 3.743 2.823 1.00 0.00 H new ATOM 0 HA TYR A 111 14.253 5.687 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 111 14.384 2.689 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.893 3.606 3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.947 4.602 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 111 15.538 2.313 1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 111 11.728 4.427 -1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 111 15.320 2.141 -1.285 1.00 0.00 H new ATOM 0 HH TYR A 111 14.138 2.659 -3.078 1.00 0.00 H new ATOM 1847 N PHE A 112 15.522 4.624 5.629 1.00 0.00 N ATOM 1848 CA PHE A 112 15.542 4.867 7.066 1.00 0.00 C ATOM 1849 C PHE A 112 15.558 6.365 7.342 1.00 0.00 C ATOM 1850 O PHE A 112 14.936 6.839 8.290 1.00 0.00 O ATOM 1851 CB PHE A 112 16.760 4.198 7.711 1.00 0.00 C ATOM 1852 CG PHE A 112 16.816 4.331 9.207 1.00 0.00 C ATOM 1853 CD1 PHE A 112 15.961 3.597 10.012 1.00 0.00 C ATOM 1854 CD2 PHE A 112 17.723 5.188 9.806 1.00 0.00 C ATOM 1855 CE1 PHE A 112 16.011 3.714 11.387 1.00 0.00 C ATOM 1856 CE2 PHE A 112 17.778 5.310 11.180 1.00 0.00 C ATOM 1857 CZ PHE A 112 16.920 4.572 11.971 1.00 0.00 C ATOM 0 H PHE A 112 16.336 4.122 5.275 1.00 0.00 H new ATOM 0 HA PHE A 112 14.641 4.435 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 112 16.759 3.139 7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.666 4.630 7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.247 2.925 9.559 1.00 0.00 H new ATOM 0 HD2 PHE A 112 18.395 5.768 9.191 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.340 3.135 12.004 1.00 0.00 H new ATOM 0 HE2 PHE A 112 18.491 5.981 11.635 1.00 0.00 H new ATOM 0 HZ PHE A 112 16.960 4.666 13.046 1.00 0.00 H new ATOM 1867 N SER A 113 16.265 7.106 6.500 1.00 0.00 N ATOM 1868 CA SER A 113 16.302 8.555 6.613 1.00 0.00 C ATOM 1869 C SER A 113 14.919 9.147 6.350 1.00 0.00 C ATOM 1870 O SER A 113 14.504 10.106 6.999 1.00 0.00 O ATOM 1871 CB SER A 113 17.328 9.132 5.636 1.00 0.00 C ATOM 1872 OG SER A 113 18.629 8.638 5.919 1.00 0.00 O ATOM 0 H SER A 113 16.820 6.727 5.732 1.00 0.00 H new ATOM 0 HA SER A 113 16.599 8.820 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.050 8.872 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.326 10.220 5.700 1.00 0.00 H new ATOM 0 HG SER A 113 18.698 7.707 5.619 1.00 0.00 H new ATOM 1878 N ILE A 114 14.198 8.543 5.415 1.00 0.00 N ATOM 1879 CA ILE A 114 12.862 9.000 5.059 1.00 0.00 C ATOM 1880 C ILE A 114 11.877 8.739 6.199 1.00 0.00 C ATOM 1881 O ILE A 114 11.107 9.621 6.580 1.00 0.00 O ATOM 1882 CB ILE A 114 12.361 8.304 3.773 1.00 0.00 C ATOM 1883 CG1 ILE A 114 13.361 8.520 2.631 1.00 0.00 C ATOM 1884 CG2 ILE A 114 10.981 8.822 3.383 1.00 0.00 C ATOM 1885 CD1 ILE A 114 12.994 7.799 1.351 1.00 0.00 C ATOM 0 H ILE A 114 14.518 7.731 4.887 1.00 0.00 H new ATOM 0 HA ILE A 114 12.920 10.073 4.878 1.00 0.00 H new ATOM 0 HB ILE A 114 12.279 7.234 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.439 9.588 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 114 14.346 8.185 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.647 8.319 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.276 8.621 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 114 11.033 9.896 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.749 8.000 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.945 6.726 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.023 8.150 1.001 1.00 0.00 H new ATOM 1897 N VAL A 115 11.929 7.535 6.763 1.00 0.00 N ATOM 1898 CA VAL A 115 11.002 7.147 7.824 1.00 0.00 C ATOM 1899 C VAL A 115 11.334 7.852 9.147 1.00 0.00 C ATOM 1900 O VAL A 115 10.500 7.930 10.048 1.00 0.00 O ATOM 1901 CB VAL A 115 10.982 5.609 8.023 1.00 0.00 C ATOM 1902 CG1 VAL A 115 12.291 5.107 8.609 1.00 0.00 C ATOM 1903 CG2 VAL A 115 9.804 5.183 8.889 1.00 0.00 C ATOM 0 H VAL A 115 12.601 6.813 6.504 1.00 0.00 H new ATOM 0 HA VAL A 115 10.007 7.464 7.511 1.00 0.00 H new ATOM 0 HB VAL A 115 10.862 5.155 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 115 12.242 4.025 8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 115 13.111 5.357 7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 115 12.460 5.578 9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.815 4.100 9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.880 5.660 9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.872 5.484 8.410 1.00 0.00 H new ATOM 1913 N SER A 116 12.548 8.377 9.259 1.00 0.00 N ATOM 1914 CA SER A 116 12.949 9.100 10.459 1.00 0.00 C ATOM 1915 C SER A 116 12.523 10.566 10.389 1.00 0.00 C ATOM 1916 O SER A 116 12.084 11.142 11.388 1.00 0.00 O ATOM 1917 CB SER A 116 14.462 8.999 10.663 1.00 0.00 C ATOM 1918 OG SER A 116 14.865 7.647 10.810 1.00 0.00 O ATOM 0 H SER A 116 13.268 8.316 8.539 1.00 0.00 H new ATOM 0 HA SER A 116 12.446 8.641 11.310 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.978 9.446 9.813 1.00 0.00 H new ATOM 0 HB3 SER A 116 14.752 9.567 11.547 1.00 0.00 H new ATOM 0 HG SER A 116 14.700 7.164 9.974 1.00 0.00 H new ATOM 1924 N SER A 117 12.645 11.165 9.211 1.00 0.00 N ATOM 1925 CA SER A 117 12.328 12.575 9.044 1.00 0.00 C ATOM 1926 C SER A 117 10.854 12.784 8.690 1.00 0.00 C ATOM 1927 O SER A 117 10.098 13.378 9.464 1.00 0.00 O ATOM 1928 CB SER A 117 13.228 13.184 7.968 1.00 0.00 C ATOM 1929 OG SER A 117 13.234 12.383 6.796 1.00 0.00 O ATOM 0 H SER A 117 12.960 10.697 8.361 1.00 0.00 H new ATOM 0 HA SER A 117 12.510 13.078 9.994 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.881 14.188 7.725 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.244 13.282 8.351 1.00 0.00 H new ATOM 0 HG SER A 117 13.987 11.757 6.832 1.00 0.00 H new ATOM 1935 N GLY A 118 10.452 12.284 7.527 1.00 0.00 N ATOM 1936 CA GLY A 118 9.083 12.445 7.078 1.00 0.00 C ATOM 1937 C GLY A 118 8.143 11.485 7.772 1.00 0.00 C ATOM 1938 O GLY A 118 6.941 11.746 7.883 1.00 0.00 O ATOM 0 H GLY A 118 11.053 11.768 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.758 13.469 7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 118 9.034 12.286 6.001 1.00 0.00 H new ATOM 1942 N GLY A 119 8.687 10.367 8.224 1.00 0.00 N ATOM 1943 CA GLY A 119 7.912 9.417 8.987 1.00 0.00 C ATOM 1944 C GLY A 119 7.422 8.257 8.151 1.00 0.00 C ATOM 1945 O GLY A 119 7.816 8.101 6.994 1.00 0.00 O ATOM 0 H GLY A 119 9.660 10.100 8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.519 9.036 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 119 7.057 9.926 9.431 1.00 0.00 H new ATOM 1949 N LEU A 120 6.551 7.453 8.741 1.00 0.00 N ATOM 1950 CA LEU A 120 6.003 6.279 8.074 1.00 0.00 C ATOM 1951 C LEU A 120 5.164 6.663 6.845 1.00 0.00 C ATOM 1952 O LEU A 120 5.347 6.077 5.783 1.00 0.00 O ATOM 1953 CB LEU A 120 5.173 5.443 9.056 1.00 0.00 C ATOM 1954 CG LEU A 120 4.645 4.117 8.504 1.00 0.00 C ATOM 1955 CD1 LEU A 120 5.797 3.207 8.099 1.00 0.00 C ATOM 1956 CD2 LEU A 120 3.758 3.432 9.530 1.00 0.00 C ATOM 0 H LEU A 120 6.205 7.593 9.690 1.00 0.00 H new ATOM 0 HA LEU A 120 6.841 5.677 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.783 5.234 9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.326 6.041 9.391 1.00 0.00 H new ATOM 0 HG LEU A 120 4.048 4.327 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.400 2.270 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.394 3.696 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.422 3.003 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.390 2.490 9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.333 3.236 10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.913 4.078 9.770 1.00 0.00 H new ATOM 1968 N PRO A 121 4.231 7.644 6.956 1.00 0.00 N ATOM 1969 CA PRO A 121 3.433 8.102 5.809 1.00 0.00 C ATOM 1970 C PRO A 121 4.301 8.511 4.620 1.00 0.00 C ATOM 1971 O PRO A 121 3.959 8.242 3.470 1.00 0.00 O ATOM 1972 CB PRO A 121 2.660 9.315 6.350 1.00 0.00 C ATOM 1973 CG PRO A 121 3.309 9.652 7.648 1.00 0.00 C ATOM 1974 CD PRO A 121 3.849 8.362 8.182 1.00 0.00 C ATOM 0 HA PRO A 121 2.787 7.309 5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.710 10.154 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.605 9.079 6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 121 4.107 10.382 7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 121 2.592 10.092 8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 121 4.702 8.521 8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 121 3.101 7.815 8.756 1.00 0.00 H new ATOM 1982 N ALA A 122 5.435 9.145 4.905 1.00 0.00 N ATOM 1983 CA ALA A 122 6.356 9.566 3.859 1.00 0.00 C ATOM 1984 C ALA A 122 7.036 8.356 3.233 1.00 0.00 C ATOM 1985 O ALA A 122 7.270 8.317 2.026 1.00 0.00 O ATOM 1986 CB ALA A 122 7.391 10.531 4.415 1.00 0.00 C ATOM 0 H ALA A 122 5.736 9.377 5.851 1.00 0.00 H new ATOM 0 HA ALA A 122 5.787 10.082 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 122 8.070 10.834 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.889 11.410 4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.957 10.041 5.207 1.00 0.00 H new ATOM 1992 N LEU A 123 7.343 7.368 4.066 1.00 0.00 N ATOM 1993 CA LEU A 123 7.918 6.118 3.594 1.00 0.00 C ATOM 1994 C LEU A 123 6.926 5.408 2.677 1.00 0.00 C ATOM 1995 O LEU A 123 7.308 4.838 1.657 1.00 0.00 O ATOM 1996 CB LEU A 123 8.279 5.219 4.781 1.00 0.00 C ATOM 1997 CG LEU A 123 8.947 3.894 4.417 1.00 0.00 C ATOM 1998 CD1 LEU A 123 10.287 4.137 3.743 1.00 0.00 C ATOM 1999 CD2 LEU A 123 9.117 3.028 5.653 1.00 0.00 C ATOM 0 H LEU A 123 7.202 7.411 5.075 1.00 0.00 H new ATOM 0 HA LEU A 123 8.828 6.334 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.944 5.772 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.370 5.006 5.344 1.00 0.00 H new ATOM 0 HG LEU A 123 8.304 3.366 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.747 3.181 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.137 4.718 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.941 4.687 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.594 2.088 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.739 3.550 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.140 2.823 6.091 1.00 0.00 H new ATOM 2011 N VAL A 124 5.650 5.466 3.047 1.00 0.00 N ATOM 2012 CA VAL A 124 4.584 4.896 2.234 1.00 0.00 C ATOM 2013 C VAL A 124 4.571 5.523 0.844 1.00 0.00 C ATOM 2014 O VAL A 124 4.604 4.814 -0.162 1.00 0.00 O ATOM 2015 CB VAL A 124 3.199 5.084 2.898 1.00 0.00 C ATOM 2016 CG1 VAL A 124 2.084 4.585 1.990 1.00 0.00 C ATOM 2017 CG2 VAL A 124 3.148 4.369 4.239 1.00 0.00 C ATOM 0 H VAL A 124 5.329 5.905 3.910 1.00 0.00 H new ATOM 0 HA VAL A 124 4.783 3.828 2.147 1.00 0.00 H new ATOM 0 HB VAL A 124 3.049 6.151 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.122 4.729 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.100 5.143 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.230 3.525 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.166 4.513 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.327 3.304 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.914 4.777 4.898 1.00 0.00 H new ATOM 2027 N ASP A 125 4.547 6.853 0.792 1.00 0.00 N ATOM 2028 CA ASP A 125 4.544 7.566 -0.483 1.00 0.00 C ATOM 2029 C ASP A 125 5.800 7.250 -1.287 1.00 0.00 C ATOM 2030 O ASP A 125 5.742 7.104 -2.507 1.00 0.00 O ATOM 2031 CB ASP A 125 4.440 9.083 -0.278 1.00 0.00 C ATOM 2032 CG ASP A 125 3.041 9.545 0.086 1.00 0.00 C ATOM 2033 OD1 ASP A 125 2.096 9.250 -0.673 1.00 0.00 O ATOM 2034 OD2 ASP A 125 2.889 10.232 1.118 1.00 0.00 O ATOM 0 H ASP A 125 4.529 7.456 1.614 1.00 0.00 H new ATOM 0 HA ASP A 125 3.668 7.227 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.131 9.384 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.756 9.588 -1.190 1.00 0.00 H new ATOM 2039 N ALA A 126 6.931 7.143 -0.602 1.00 0.00 N ATOM 2040 CA ALA A 126 8.201 6.855 -1.260 1.00 0.00 C ATOM 2041 C ALA A 126 8.199 5.465 -1.895 1.00 0.00 C ATOM 2042 O ALA A 126 8.687 5.282 -3.013 1.00 0.00 O ATOM 2043 CB ALA A 126 9.350 6.983 -0.269 1.00 0.00 C ATOM 0 H ALA A 126 6.996 7.251 0.410 1.00 0.00 H new ATOM 0 HA ALA A 126 8.337 7.585 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.291 6.765 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.377 7.998 0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.205 6.277 0.549 1.00 0.00 H new ATOM 2049 N LEU A 127 7.645 4.492 -1.180 1.00 0.00 N ATOM 2050 CA LEU A 127 7.624 3.111 -1.650 1.00 0.00 C ATOM 2051 C LEU A 127 6.550 2.901 -2.712 1.00 0.00 C ATOM 2052 O LEU A 127 6.827 2.366 -3.784 1.00 0.00 O ATOM 2053 CB LEU A 127 7.396 2.149 -0.480 1.00 0.00 C ATOM 2054 CG LEU A 127 8.499 2.144 0.582 1.00 0.00 C ATOM 2055 CD1 LEU A 127 8.150 1.192 1.715 1.00 0.00 C ATOM 2056 CD2 LEU A 127 9.834 1.765 -0.038 1.00 0.00 C ATOM 0 H LEU A 127 7.204 4.634 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 127 8.594 2.902 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.452 2.404 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 127 7.290 1.139 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 127 8.582 3.150 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.947 1.204 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.215 1.506 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.037 0.182 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.606 1.767 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.762 0.770 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.093 2.486 -0.813 1.00 0.00 H new ATOM 2068 N VAL A 128 5.333 3.342 -2.417 1.00 0.00 N ATOM 2069 CA VAL A 128 4.199 3.109 -3.306 1.00 0.00 C ATOM 2070 C VAL A 128 4.356 3.854 -4.628 1.00 0.00 C ATOM 2071 O VAL A 128 4.173 3.276 -5.698 1.00 0.00 O ATOM 2072 CB VAL A 128 2.861 3.516 -2.641 1.00 0.00 C ATOM 2073 CG1 VAL A 128 1.695 3.372 -3.612 1.00 0.00 C ATOM 2074 CG2 VAL A 128 2.610 2.678 -1.400 1.00 0.00 C ATOM 0 H VAL A 128 5.105 3.863 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 128 4.180 2.038 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 128 2.937 4.565 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.770 3.665 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.861 4.013 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.619 2.335 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.666 2.976 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.563 1.625 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.421 2.831 -0.688 1.00 0.00 H new ATOM 2084 N ASP A 129 4.723 5.126 -4.564 1.00 0.00 N ATOM 2085 CA ASP A 129 4.781 5.958 -5.765 1.00 0.00 C ATOM 2086 C ASP A 129 6.043 5.671 -6.582 1.00 0.00 C ATOM 2087 O ASP A 129 6.307 6.329 -7.588 1.00 0.00 O ATOM 2088 CB ASP A 129 4.710 7.442 -5.384 1.00 0.00 C ATOM 2089 CG ASP A 129 4.457 8.351 -6.574 1.00 0.00 C ATOM 2090 OD1 ASP A 129 3.367 8.257 -7.181 1.00 0.00 O ATOM 2091 OD2 ASP A 129 5.341 9.171 -6.905 1.00 0.00 O ATOM 0 H ASP A 129 4.984 5.605 -3.702 1.00 0.00 H new ATOM 0 HA ASP A 129 3.921 5.712 -6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 129 3.917 7.585 -4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.645 7.733 -4.904 1.00 0.00 H new ATOM 2096 N SER A 130 6.817 4.674 -6.157 1.00 0.00 N ATOM 2097 CA SER A 130 8.007 4.262 -6.890 1.00 0.00 C ATOM 2098 C SER A 130 7.638 3.874 -8.319 1.00 0.00 C ATOM 2099 O SER A 130 6.848 2.953 -8.542 1.00 0.00 O ATOM 2100 CB SER A 130 8.693 3.089 -6.185 1.00 0.00 C ATOM 2101 OG SER A 130 9.859 2.683 -6.879 1.00 0.00 O ATOM 0 H SER A 130 6.639 4.138 -5.308 1.00 0.00 H new ATOM 0 HA SER A 130 8.702 5.101 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.955 3.377 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.000 2.251 -6.111 1.00 0.00 H new ATOM 0 HG SER A 130 10.277 1.934 -6.406 1.00 0.00 H new ATOM 2107 N GLN A 131 8.204 4.590 -9.284 1.00 0.00 N ATOM 2108 CA GLN A 131 7.884 4.371 -10.687 1.00 0.00 C ATOM 2109 C GLN A 131 8.283 2.974 -11.144 1.00 0.00 C ATOM 2110 O GLN A 131 7.660 2.421 -12.044 1.00 0.00 O ATOM 2111 CB GLN A 131 8.545 5.433 -11.568 1.00 0.00 C ATOM 2112 CG GLN A 131 7.904 6.812 -11.453 1.00 0.00 C ATOM 2113 CD GLN A 131 6.542 6.913 -12.138 1.00 0.00 C ATOM 2114 OE1 GLN A 131 6.147 7.984 -12.596 1.00 0.00 O ATOM 2115 NE2 GLN A 131 5.812 5.809 -12.217 1.00 0.00 N ATOM 0 H GLN A 131 8.888 5.328 -9.118 1.00 0.00 H new ATOM 0 HA GLN A 131 6.802 4.457 -10.791 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.599 5.509 -11.301 1.00 0.00 H new ATOM 0 HB3 GLN A 131 8.502 5.108 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.790 7.064 -10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.575 7.553 -11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 131 6.166 4.935 -11.828 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.897 5.834 -12.667 1.00 0.00 H new ATOM 2124 N GLU A 132 9.299 2.401 -10.510 1.00 0.00 N ATOM 2125 CA GLU A 132 9.726 1.042 -10.828 1.00 0.00 C ATOM 2126 C GLU A 132 8.595 0.058 -10.553 1.00 0.00 C ATOM 2127 O GLU A 132 8.139 -0.657 -11.450 1.00 0.00 O ATOM 2128 CB GLU A 132 10.948 0.656 -9.995 1.00 0.00 C ATOM 2129 CG GLU A 132 12.166 1.525 -10.247 1.00 0.00 C ATOM 2130 CD GLU A 132 13.333 1.151 -9.359 1.00 0.00 C ATOM 2131 OE1 GLU A 132 14.044 0.174 -9.677 1.00 0.00 O ATOM 2132 OE2 GLU A 132 13.542 1.825 -8.333 1.00 0.00 O ATOM 0 H GLU A 132 9.842 2.854 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 132 9.989 1.005 -11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.687 0.712 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.205 -0.382 -10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 132 12.464 1.435 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 132 11.905 2.570 -10.079 1.00 0.00 H new ATOM 2139 N TYR A 133 8.131 0.052 -9.306 1.00 0.00 N ATOM 2140 CA TYR A 133 7.063 -0.845 -8.882 1.00 0.00 C ATOM 2141 C TYR A 133 5.736 -0.473 -9.529 1.00 0.00 C ATOM 2142 O TYR A 133 4.831 -1.298 -9.639 1.00 0.00 O ATOM 2143 CB TYR A 133 6.934 -0.844 -7.360 1.00 0.00 C ATOM 2144 CG TYR A 133 7.540 -2.071 -6.715 1.00 0.00 C ATOM 2145 CD1 TYR A 133 8.898 -2.348 -6.831 1.00 0.00 C ATOM 2146 CD2 TYR A 133 6.749 -2.957 -5.997 1.00 0.00 C ATOM 2147 CE1 TYR A 133 9.446 -3.475 -6.249 1.00 0.00 C ATOM 2148 CE2 TYR A 133 7.291 -4.084 -5.412 1.00 0.00 C ATOM 2149 CZ TYR A 133 8.638 -4.339 -5.543 1.00 0.00 C ATOM 2150 OH TYR A 133 9.183 -5.459 -4.954 1.00 0.00 O ATOM 0 H TYR A 133 8.482 0.663 -8.568 1.00 0.00 H new ATOM 0 HA TYR A 133 7.324 -1.851 -9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 133 7.419 0.047 -6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 133 5.880 -0.782 -7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 133 9.534 -1.672 -7.384 1.00 0.00 H new ATOM 0 HD2 TYR A 133 5.692 -2.762 -5.894 1.00 0.00 H new ATOM 0 HE1 TYR A 133 10.502 -3.678 -6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 133 6.662 -4.762 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 133 8.585 -5.780 -4.247 1.00 0.00 H new ATOM 2160 N ALA A 134 5.622 0.769 -9.957 1.00 0.00 N ATOM 2161 CA ALA A 134 4.418 1.226 -10.622 1.00 0.00 C ATOM 2162 C ALA A 134 4.373 0.772 -12.078 1.00 0.00 C ATOM 2163 O ALA A 134 3.491 0.015 -12.480 1.00 0.00 O ATOM 2164 CB ALA A 134 4.317 2.741 -10.542 1.00 0.00 C ATOM 0 H ALA A 134 6.348 1.479 -9.856 1.00 0.00 H new ATOM 0 HA ALA A 134 3.566 0.781 -10.108 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.409 3.072 -11.045 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.286 3.049 -9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.184 3.190 -11.027 1.00 0.00 H new ATOM 2170 N ASP A 135 5.347 1.219 -12.856 1.00 0.00 N ATOM 2171 CA ASP A 135 5.321 1.066 -14.308 1.00 0.00 C ATOM 2172 C ASP A 135 5.464 -0.388 -14.750 1.00 0.00 C ATOM 2173 O ASP A 135 4.895 -0.792 -15.762 1.00 0.00 O ATOM 2174 CB ASP A 135 6.432 1.913 -14.933 1.00 0.00 C ATOM 2175 CG ASP A 135 6.493 1.789 -16.443 1.00 0.00 C ATOM 2176 OD1 ASP A 135 5.693 2.456 -17.131 1.00 0.00 O ATOM 2177 OD2 ASP A 135 7.351 1.038 -16.952 1.00 0.00 O ATOM 0 H ASP A 135 6.176 1.697 -12.503 1.00 0.00 H new ATOM 0 HA ASP A 135 4.346 1.409 -14.653 1.00 0.00 H new ATOM 0 HB2 ASP A 135 6.278 2.958 -14.666 1.00 0.00 H new ATOM 0 HB3 ASP A 135 7.391 1.614 -14.510 1.00 0.00 H new ATOM 2182 N TYR A 136 6.207 -1.174 -13.992 1.00 0.00 N ATOM 2183 CA TYR A 136 6.540 -2.524 -14.415 1.00 0.00 C ATOM 2184 C TYR A 136 5.518 -3.567 -13.944 1.00 0.00 C ATOM 2185 O TYR A 136 5.408 -4.639 -14.540 1.00 0.00 O ATOM 2186 CB TYR A 136 7.940 -2.881 -13.906 1.00 0.00 C ATOM 2187 CG TYR A 136 8.370 -4.294 -14.220 1.00 0.00 C ATOM 2188 CD1 TYR A 136 8.758 -4.654 -15.502 1.00 0.00 C ATOM 2189 CD2 TYR A 136 8.385 -5.267 -13.232 1.00 0.00 C ATOM 2190 CE1 TYR A 136 9.148 -5.948 -15.793 1.00 0.00 C ATOM 2191 CE2 TYR A 136 8.774 -6.563 -13.510 1.00 0.00 C ATOM 2192 CZ TYR A 136 9.155 -6.899 -14.793 1.00 0.00 C ATOM 2193 OH TYR A 136 9.538 -8.193 -15.078 1.00 0.00 O ATOM 0 H TYR A 136 6.590 -0.904 -13.086 1.00 0.00 H new ATOM 0 HA TYR A 136 6.518 -2.543 -15.505 1.00 0.00 H new ATOM 0 HB2 TYR A 136 8.660 -2.188 -14.341 1.00 0.00 H new ATOM 0 HB3 TYR A 136 7.970 -2.735 -12.826 1.00 0.00 H new ATOM 0 HD1 TYR A 136 8.755 -3.911 -16.286 1.00 0.00 H new ATOM 0 HD2 TYR A 136 8.087 -5.007 -12.227 1.00 0.00 H new ATOM 0 HE1 TYR A 136 9.445 -6.213 -16.797 1.00 0.00 H new ATOM 0 HE2 TYR A 136 8.780 -7.308 -12.728 1.00 0.00 H new ATOM 0 HH TYR A 136 9.488 -8.736 -14.264 1.00 0.00 H new ATOM 2203 N PHE A 137 4.757 -3.261 -12.901 1.00 0.00 N ATOM 2204 CA PHE A 137 3.923 -4.282 -12.267 1.00 0.00 C ATOM 2205 C PHE A 137 2.450 -4.205 -12.690 1.00 0.00 C ATOM 2206 O PHE A 137 1.749 -5.219 -12.681 1.00 0.00 O ATOM 2207 CB PHE A 137 4.061 -4.202 -10.744 1.00 0.00 C ATOM 2208 CG PHE A 137 5.418 -4.626 -10.239 1.00 0.00 C ATOM 2209 CD1 PHE A 137 6.513 -3.785 -10.353 1.00 0.00 C ATOM 2210 CD2 PHE A 137 5.595 -5.868 -9.648 1.00 0.00 C ATOM 2211 CE1 PHE A 137 7.757 -4.174 -9.889 1.00 0.00 C ATOM 2212 CE2 PHE A 137 6.834 -6.262 -9.183 1.00 0.00 C ATOM 2213 CZ PHE A 137 7.917 -5.415 -9.303 1.00 0.00 C ATOM 0 H PHE A 137 4.697 -2.334 -12.480 1.00 0.00 H new ATOM 0 HA PHE A 137 4.286 -5.250 -12.612 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.866 -3.179 -10.423 1.00 0.00 H new ATOM 0 HB3 PHE A 137 3.298 -4.831 -10.285 1.00 0.00 H new ATOM 0 HD1 PHE A 137 6.394 -2.814 -10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 137 4.752 -6.536 -9.550 1.00 0.00 H new ATOM 0 HE1 PHE A 137 8.602 -3.508 -9.985 1.00 0.00 H new ATOM 0 HE2 PHE A 137 6.956 -7.233 -8.726 1.00 0.00 H new ATOM 0 HZ PHE A 137 8.887 -5.721 -8.940 1.00 0.00 H new ATOM 2223 N GLY A 138 1.976 -3.022 -13.064 1.00 0.00 N ATOM 2224 CA GLY A 138 0.602 -2.901 -13.535 1.00 0.00 C ATOM 2225 C GLY A 138 -0.332 -2.323 -12.486 1.00 0.00 C ATOM 2226 O GLY A 138 -0.172 -2.573 -11.301 1.00 0.00 O ATOM 0 H GLY A 138 2.508 -2.152 -13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 138 0.581 -2.267 -14.422 1.00 0.00 H new ATOM 0 HA3 GLY A 138 0.238 -3.883 -13.837 1.00 0.00 H new ATOM 2230 N GLU A 139 -1.327 -1.565 -12.927 1.00 0.00 N ATOM 2231 CA GLU A 139 -2.192 -0.814 -12.014 1.00 0.00 C ATOM 2232 C GLU A 139 -3.348 -1.653 -11.481 1.00 0.00 C ATOM 2233 O GLU A 139 -3.974 -1.296 -10.482 1.00 0.00 O ATOM 2234 CB GLU A 139 -2.741 0.451 -12.694 1.00 0.00 C ATOM 2235 CG GLU A 139 -3.453 0.210 -14.021 1.00 0.00 C ATOM 2236 CD GLU A 139 -2.495 -0.094 -15.155 1.00 0.00 C ATOM 2237 OE1 GLU A 139 -1.947 0.856 -15.748 1.00 0.00 O ATOM 2238 OE2 GLU A 139 -2.268 -1.288 -15.443 1.00 0.00 O ATOM 0 H GLU A 139 -1.559 -1.451 -13.914 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.570 -0.529 -11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -3.434 0.941 -12.010 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.916 1.143 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -4.150 -0.620 -13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -4.043 1.090 -14.276 1.00 0.00 H new ATOM 2245 N GLU A 140 -3.620 -2.763 -12.135 1.00 0.00 N ATOM 2246 CA GLU A 140 -4.776 -3.585 -11.802 1.00 0.00 C ATOM 2247 C GLU A 140 -4.479 -4.567 -10.663 1.00 0.00 C ATOM 2248 O GLU A 140 -5.341 -4.824 -9.821 1.00 0.00 O ATOM 2249 CB GLU A 140 -5.236 -4.343 -13.050 1.00 0.00 C ATOM 2250 CG GLU A 140 -4.108 -5.059 -13.780 1.00 0.00 C ATOM 2251 CD GLU A 140 -4.570 -5.737 -15.050 1.00 0.00 C ATOM 2252 OE1 GLU A 140 -4.764 -5.034 -16.068 1.00 0.00 O ATOM 2253 OE2 GLU A 140 -4.729 -6.974 -15.045 1.00 0.00 O ATOM 0 H GLU A 140 -3.056 -3.122 -12.905 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.570 -2.924 -11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.993 -5.073 -12.763 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.713 -3.642 -13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.324 -4.341 -14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.666 -5.802 -13.117 1.00 0.00 H new ATOM 2260 N THR A 141 -3.258 -5.082 -10.630 1.00 0.00 N ATOM 2261 CA THR A 141 -2.889 -6.164 -9.723 1.00 0.00 C ATOM 2262 C THR A 141 -3.010 -5.767 -8.248 1.00 0.00 C ATOM 2263 O THR A 141 -2.492 -4.736 -7.829 1.00 0.00 O ATOM 2264 CB THR A 141 -1.443 -6.610 -9.995 1.00 0.00 C ATOM 2265 OG1 THR A 141 -1.194 -6.604 -11.407 1.00 0.00 O ATOM 2266 CG2 THR A 141 -1.191 -8.005 -9.437 1.00 0.00 C ATOM 0 H THR A 141 -2.496 -4.764 -11.229 1.00 0.00 H new ATOM 0 HA THR A 141 -3.587 -6.979 -9.911 1.00 0.00 H new ATOM 0 HB THR A 141 -0.768 -5.912 -9.499 1.00 0.00 H new ATOM 0 HG1 THR A 141 -0.271 -6.887 -11.578 1.00 0.00 H new ATOM 0 HG21 THR A 141 -0.161 -8.298 -9.642 1.00 0.00 H new ATOM 0 HG22 THR A 141 -1.360 -8.002 -8.360 1.00 0.00 H new ATOM 0 HG23 THR A 141 -1.871 -8.714 -9.909 1.00 0.00 H new ATOM 2274 N VAL A 142 -3.706 -6.589 -7.471 1.00 0.00 N ATOM 2275 CA VAL A 142 -3.787 -6.403 -6.027 1.00 0.00 C ATOM 2276 C VAL A 142 -2.473 -6.833 -5.374 1.00 0.00 C ATOM 2277 O VAL A 142 -1.912 -7.870 -5.728 1.00 0.00 O ATOM 2278 CB VAL A 142 -4.970 -7.207 -5.427 1.00 0.00 C ATOM 2279 CG1 VAL A 142 -4.944 -7.206 -3.904 1.00 0.00 C ATOM 2280 CG2 VAL A 142 -6.289 -6.643 -5.926 1.00 0.00 C ATOM 0 H VAL A 142 -4.225 -7.395 -7.819 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.961 -5.346 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.867 -8.241 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -5.790 -7.780 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -4.014 -7.656 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -5.009 -6.181 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -7.114 -7.214 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.376 -5.599 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -6.325 -6.710 -7.013 1.00 0.00 H new ATOM 2290 N PRO A 143 -1.958 -6.038 -4.423 1.00 0.00 N ATOM 2291 CA PRO A 143 -0.671 -6.309 -3.790 1.00 0.00 C ATOM 2292 C PRO A 143 -0.755 -7.406 -2.734 1.00 0.00 C ATOM 2293 O PRO A 143 -0.927 -7.132 -1.548 1.00 0.00 O ATOM 2294 CB PRO A 143 -0.306 -4.970 -3.153 1.00 0.00 C ATOM 2295 CG PRO A 143 -1.617 -4.338 -2.836 1.00 0.00 C ATOM 2296 CD PRO A 143 -2.588 -4.820 -3.882 1.00 0.00 C ATOM 0 HA PRO A 143 0.067 -6.672 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 143 0.295 -5.109 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 143 0.278 -4.352 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -1.952 -4.619 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -1.538 -3.251 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -3.565 -5.035 -3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -2.741 -4.071 -4.659 1.00 0.00 H new