USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 990 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: B 59 CYS SG : rot 153:sc= -1.28 USER MOD Set 1.2: B 74 HIS : no HD1:sc=-0.00519 X(o=-1.3,f=-1.3) USER MOD Set 2.1: A 67 GLN : amide:sc= -3! K(o=-3.4!,f=-0.38) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -0.443 USER MOD Set 3.1: A 59 CYS SG : rot 180:sc= -0.11 USER MOD Set 3.2: A 78 CYS SG : rot -69:sc= -0.864 USER MOD Set 4.1: A 23 THR OG1 : rot 170:sc= 0.229 USER MOD Set 4.2: A 25 THR OG1 : rot 180:sc= 0.0197 USER MOD Set 5.1: A 22 MET CE :methyl -150:sc= -2.13! (180deg=-3.02!) USER MOD Set 5.2: B 22 MET CE :methyl 173:sc= -1.75 (180deg=-1.9!) USER MOD Set 6.1: A 18 TYR OH : rot 180:sc= 0.774 USER MOD Set 6.2: B 89 SER OG : rot 168:sc= 0.876 USER MOD Single : A 20 GLN : amide:sc= -4.61! K(o=-4.6!,f=-0.62) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 1.69 (180deg=1.67) USER MOD Single : A 35 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 111:sc= 0.173 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.9) USER MOD Single : A 55 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.052) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= -2.73! (180deg=-2.73!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 88 SER OG : rot 83:sc= 1.34 USER MOD Single : A 89 SER OG : rot -19:sc= 0.336 USER MOD Single : B 18 TYR OH : rot 180:sc= -0.136 USER MOD Single : B 20 GLN : amide:sc= 0.708 K(o=0.71,f=-0.23) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -26:sc= 0.657 USER MOD Single : B 32 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.15) USER MOD Single : B 35 THR OG1 : rot 60:sc= 1.16 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HE2:sc= -0.242 K(o=-0.24,f=-1.9) USER MOD Single : B 54 ASN : amide:sc= -2.04! C(o=-2!,f=-9.8!) USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 CYS SG : rot -77:sc= -1.11! USER MOD Single : B 57 LYS NZ :NH3+ -154:sc= 0.201 (180deg=-0.00605!) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN : amide:sc= -2.56! K(o=-2.6!,f=0) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 CYS SG : rot 180:sc= -0.503 USER MOD Single : B 84 LYS NZ :NH3+ -122:sc= 0.557 (180deg=-1.67) USER MOD Single : B 85 GLN : amide:sc= -2.63! K(o=-2.6!,f=-0.53) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 9.906 -6.794 11.736 1.00 0.00 N ATOM 240 CA LEU A 17 9.207 -7.062 12.981 1.00 0.00 C ATOM 241 C LEU A 17 7.714 -7.211 12.718 1.00 0.00 C ATOM 242 O LEU A 17 7.272 -7.221 11.571 1.00 0.00 O ATOM 243 CB LEU A 17 9.441 -5.940 14.010 1.00 0.00 C ATOM 244 CG LEU A 17 10.810 -5.923 14.704 1.00 0.00 C ATOM 245 CD1 LEU A 17 11.135 -7.290 15.285 1.00 0.00 C ATOM 246 CD2 LEU A 17 11.909 -5.459 13.758 1.00 0.00 C ATOM 0 HA LEU A 17 9.602 -7.991 13.393 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.301 -4.982 13.509 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.670 -6.014 14.777 1.00 0.00 H new ATOM 0 HG LEU A 17 10.758 -5.206 15.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.109 -7.256 15.772 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.374 -7.565 16.015 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.155 -8.030 14.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.865 -5.459 14.282 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.964 -6.135 12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.687 -4.451 13.409 1.00 0.00 H new ATOM 258 N TYR A 18 6.946 -7.313 13.786 1.00 0.00 N ATOM 259 CA TYR A 18 5.501 -7.452 13.682 1.00 0.00 C ATOM 260 C TYR A 18 4.836 -6.248 14.336 1.00 0.00 C ATOM 261 O TYR A 18 5.454 -5.576 15.157 1.00 0.00 O ATOM 262 CB TYR A 18 5.046 -8.758 14.348 1.00 0.00 C ATOM 263 CG TYR A 18 3.581 -9.088 14.138 1.00 0.00 C ATOM 264 CD1 TYR A 18 3.080 -9.343 12.866 1.00 0.00 C ATOM 265 CD2 TYR A 18 2.704 -9.153 15.213 1.00 0.00 C ATOM 266 CE1 TYR A 18 1.745 -9.647 12.674 1.00 0.00 C ATOM 267 CE2 TYR A 18 1.369 -9.457 15.028 1.00 0.00 C ATOM 268 CZ TYR A 18 0.894 -9.703 13.758 1.00 0.00 C ATOM 269 OH TYR A 18 -0.436 -10.006 13.572 1.00 0.00 O ATOM 0 H TYR A 18 7.299 -7.302 14.743 1.00 0.00 H new ATOM 0 HA TYR A 18 5.209 -7.492 12.633 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.650 -9.579 13.962 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.242 -8.694 15.418 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.744 -9.303 12.015 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.072 -8.963 16.210 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.370 -9.840 11.680 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.701 -9.502 15.875 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.896 -10.005 14.437 1.00 0.00 H new ATOM 279 N PHE A 19 3.579 -5.994 13.987 1.00 0.00 N ATOM 280 CA PHE A 19 2.851 -4.822 14.481 1.00 0.00 C ATOM 281 C PHE A 19 2.679 -4.845 16.002 1.00 0.00 C ATOM 282 O PHE A 19 2.275 -3.849 16.600 1.00 0.00 O ATOM 283 CB PHE A 19 1.482 -4.727 13.802 1.00 0.00 C ATOM 284 CG PHE A 19 1.561 -4.451 12.329 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.690 -5.488 11.420 1.00 0.00 C ATOM 286 CD2 PHE A 19 1.500 -3.150 11.855 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.762 -5.232 10.065 1.00 0.00 C ATOM 288 CE2 PHE A 19 1.570 -2.888 10.501 1.00 0.00 C ATOM 289 CZ PHE A 19 1.701 -3.931 9.604 1.00 0.00 C ATOM 0 H PHE A 19 3.036 -6.587 13.359 1.00 0.00 H new ATOM 0 HA PHE A 19 3.446 -3.943 14.232 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.942 -5.660 13.960 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.902 -3.938 14.281 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.735 -6.507 11.775 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.397 -2.332 12.552 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.866 -6.049 9.366 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.522 -1.870 10.144 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.756 -3.729 8.544 1.00 0.00 H new ATOM 299 N GLN A 20 2.983 -5.979 16.622 1.00 0.00 N ATOM 300 CA GLN A 20 2.901 -6.103 18.069 1.00 0.00 C ATOM 301 C GLN A 20 4.058 -5.357 18.735 1.00 0.00 C ATOM 302 O GLN A 20 3.897 -4.766 19.803 1.00 0.00 O ATOM 303 CB GLN A 20 2.917 -7.581 18.478 1.00 0.00 C ATOM 304 CG GLN A 20 2.747 -7.813 19.974 1.00 0.00 C ATOM 305 CD GLN A 20 1.313 -7.647 20.460 1.00 0.00 C ATOM 306 OE1 GLN A 20 0.912 -8.275 21.438 1.00 0.00 O ATOM 307 NE2 GLN A 20 0.527 -6.813 19.790 1.00 0.00 N ATOM 0 H GLN A 20 3.289 -6.826 16.143 1.00 0.00 H new ATOM 0 HA GLN A 20 1.963 -5.658 18.402 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.121 -8.103 17.947 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.859 -8.026 18.157 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.090 -8.818 20.218 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.388 -7.117 20.516 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.891 -6.307 18.983 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.441 -6.678 20.083 1.00 0.00 H new ATOM 316 N GLY A 21 5.212 -5.365 18.087 1.00 0.00 N ATOM 317 CA GLY A 21 6.382 -4.722 18.651 1.00 0.00 C ATOM 318 C GLY A 21 6.948 -3.667 17.726 1.00 0.00 C ATOM 319 O GLY A 21 7.587 -3.989 16.724 1.00 0.00 O ATOM 0 H GLY A 21 5.361 -5.806 17.179 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.120 -4.265 19.605 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.145 -5.473 18.856 1.00 0.00 H new ATOM 323 N MET A 22 6.716 -2.406 18.058 1.00 0.00 N ATOM 324 CA MET A 22 7.137 -1.310 17.202 1.00 0.00 C ATOM 325 C MET A 22 8.529 -0.826 17.568 1.00 0.00 C ATOM 326 O MET A 22 8.738 -0.222 18.622 1.00 0.00 O ATOM 327 CB MET A 22 6.145 -0.151 17.270 1.00 0.00 C ATOM 328 CG MET A 22 4.830 -0.451 16.578 1.00 0.00 C ATOM 329 SD MET A 22 5.049 -0.822 14.825 1.00 0.00 S ATOM 330 CE MET A 22 3.364 -1.175 14.338 1.00 0.00 C ATOM 0 H MET A 22 6.239 -2.118 18.912 1.00 0.00 H new ATOM 0 HA MET A 22 7.163 -1.688 16.180 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.951 0.093 18.315 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.595 0.731 16.815 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.348 -1.297 17.069 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.162 0.403 16.686 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.365 -1.895 13.520 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.820 -1.590 15.186 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.879 -0.255 14.011 1.00 0.00 H new ATOM 340 N THR A 23 9.475 -1.115 16.692 1.00 0.00 N ATOM 341 CA THR A 23 10.844 -0.667 16.863 1.00 0.00 C ATOM 342 C THR A 23 11.062 0.673 16.165 1.00 0.00 C ATOM 343 O THR A 23 11.211 1.708 16.818 1.00 0.00 O ATOM 344 CB THR A 23 11.834 -1.711 16.307 1.00 0.00 C ATOM 345 OG1 THR A 23 11.417 -2.138 14.999 1.00 0.00 O ATOM 346 CG2 THR A 23 11.929 -2.915 17.233 1.00 0.00 C ATOM 0 H THR A 23 9.316 -1.664 15.847 1.00 0.00 H new ATOM 0 HA THR A 23 11.026 -0.544 17.931 1.00 0.00 H new ATOM 0 HB THR A 23 12.817 -1.246 16.240 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.128 -2.673 14.588 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.633 -3.637 16.820 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.275 -2.592 18.215 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.947 -3.379 17.328 1.00 0.00 H new ATOM 354 N ASP A 24 11.059 0.637 14.834 1.00 0.00 N ATOM 355 CA ASP A 24 11.232 1.833 14.005 1.00 0.00 C ATOM 356 C ASP A 24 11.102 1.464 12.530 1.00 0.00 C ATOM 357 O ASP A 24 10.529 2.207 11.733 1.00 0.00 O ATOM 358 CB ASP A 24 12.603 2.476 14.259 1.00 0.00 C ATOM 359 CG ASP A 24 12.823 3.750 13.458 1.00 0.00 C ATOM 360 OD1 ASP A 24 13.276 3.655 12.298 1.00 0.00 O ATOM 361 OD2 ASP A 24 12.560 4.851 13.994 1.00 0.00 O ATOM 0 H ASP A 24 10.937 -0.222 14.297 1.00 0.00 H new ATOM 0 HA ASP A 24 10.456 2.552 14.270 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.701 2.700 15.321 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.385 1.759 14.011 1.00 0.00 H new ATOM 366 N THR A 25 11.600 0.278 12.186 1.00 0.00 N ATOM 367 CA THR A 25 11.665 -0.165 10.796 1.00 0.00 C ATOM 368 C THR A 25 10.304 -0.586 10.235 1.00 0.00 C ATOM 369 O THR A 25 10.223 -1.116 9.130 1.00 0.00 O ATOM 370 CB THR A 25 12.663 -1.325 10.651 1.00 0.00 C ATOM 371 OG1 THR A 25 12.408 -2.310 11.662 1.00 0.00 O ATOM 372 CG2 THR A 25 14.098 -0.825 10.764 1.00 0.00 C ATOM 0 H THR A 25 11.967 -0.397 12.857 1.00 0.00 H new ATOM 0 HA THR A 25 12.001 0.694 10.215 1.00 0.00 H new ATOM 0 HB THR A 25 12.534 -1.772 9.665 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.044 -3.049 11.566 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.785 -1.664 10.658 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.292 -0.096 9.978 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.245 -0.357 11.737 1.00 0.00 H new ATOM 380 N ALA A 26 9.238 -0.329 10.982 1.00 0.00 N ATOM 381 CA ALA A 26 7.888 -0.575 10.491 1.00 0.00 C ATOM 382 C ALA A 26 7.608 0.303 9.278 1.00 0.00 C ATOM 383 O ALA A 26 6.770 -0.016 8.437 1.00 0.00 O ATOM 384 CB ALA A 26 6.871 -0.308 11.590 1.00 0.00 C ATOM 0 H ALA A 26 9.282 0.049 11.928 1.00 0.00 H new ATOM 0 HA ALA A 26 7.804 -1.620 10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.867 -0.496 11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.068 -0.967 12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.949 0.730 11.913 1.00 0.00 H new ATOM 390 N ALA A 27 8.341 1.410 9.189 1.00 0.00 N ATOM 391 CA ALA A 27 8.211 2.331 8.072 1.00 0.00 C ATOM 392 C ALA A 27 8.725 1.708 6.784 1.00 0.00 C ATOM 393 O ALA A 27 8.248 2.034 5.702 1.00 0.00 O ATOM 394 CB ALA A 27 8.956 3.623 8.367 1.00 0.00 C ATOM 0 H ALA A 27 9.034 1.689 9.884 1.00 0.00 H new ATOM 0 HA ALA A 27 7.152 2.554 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.851 4.304 7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.540 4.087 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.012 3.405 8.529 1.00 0.00 H new ATOM 400 N GLU A 28 9.679 0.799 6.911 1.00 0.00 N ATOM 401 CA GLU A 28 10.334 0.197 5.755 1.00 0.00 C ATOM 402 C GLU A 28 9.343 -0.628 4.936 1.00 0.00 C ATOM 403 O GLU A 28 9.154 -0.380 3.745 1.00 0.00 O ATOM 404 CB GLU A 28 11.520 -0.660 6.228 1.00 0.00 C ATOM 405 CG GLU A 28 12.350 -1.290 5.116 1.00 0.00 C ATOM 406 CD GLU A 28 11.781 -2.608 4.623 1.00 0.00 C ATOM 407 OE1 GLU A 28 11.526 -3.499 5.462 1.00 0.00 O ATOM 408 OE2 GLU A 28 11.612 -2.771 3.400 1.00 0.00 O ATOM 0 H GLU A 28 10.021 0.458 7.810 1.00 0.00 H new ATOM 0 HA GLU A 28 10.711 0.987 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.174 -0.040 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.140 -1.454 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.415 -0.594 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.366 -1.452 5.476 1.00 0.00 H new ATOM 415 N ASP A 29 8.681 -1.575 5.587 1.00 0.00 N ATOM 416 CA ASP A 29 7.812 -2.517 4.886 1.00 0.00 C ATOM 417 C ASP A 29 6.557 -1.827 4.358 1.00 0.00 C ATOM 418 O ASP A 29 6.103 -2.112 3.253 1.00 0.00 O ATOM 419 CB ASP A 29 7.432 -3.681 5.803 1.00 0.00 C ATOM 420 CG ASP A 29 6.887 -4.864 5.028 1.00 0.00 C ATOM 421 OD1 ASP A 29 7.699 -5.600 4.415 1.00 0.00 O ATOM 422 OD2 ASP A 29 5.659 -5.070 5.039 1.00 0.00 O ATOM 0 H ASP A 29 8.727 -1.713 6.597 1.00 0.00 H new ATOM 0 HA ASP A 29 8.366 -2.908 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.307 -3.994 6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.686 -3.346 6.523 1.00 0.00 H new ATOM 427 N VAL A 30 6.012 -0.897 5.136 1.00 0.00 N ATOM 428 CA VAL A 30 4.819 -0.165 4.718 1.00 0.00 C ATOM 429 C VAL A 30 5.136 0.787 3.560 1.00 0.00 C ATOM 430 O VAL A 30 4.356 0.912 2.612 1.00 0.00 O ATOM 431 CB VAL A 30 4.196 0.629 5.887 1.00 0.00 C ATOM 432 CG1 VAL A 30 2.952 1.383 5.433 1.00 0.00 C ATOM 433 CG2 VAL A 30 3.862 -0.297 7.047 1.00 0.00 C ATOM 0 H VAL A 30 6.373 -0.633 6.053 1.00 0.00 H new ATOM 0 HA VAL A 30 4.094 -0.906 4.382 1.00 0.00 H new ATOM 0 HB VAL A 30 4.931 1.359 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.533 1.934 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.219 2.081 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.213 0.674 5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.424 0.282 7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.150 -1.053 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.772 -0.784 7.397 1.00 0.00 H new ATOM 443 N ARG A 31 6.289 1.444 3.628 1.00 0.00 N ATOM 444 CA ARG A 31 6.714 2.348 2.563 1.00 0.00 C ATOM 445 C ARG A 31 6.985 1.556 1.290 1.00 0.00 C ATOM 446 O ARG A 31 6.759 2.042 0.183 1.00 0.00 O ATOM 447 CB ARG A 31 7.965 3.116 2.986 1.00 0.00 C ATOM 448 CG ARG A 31 8.371 4.217 2.023 1.00 0.00 C ATOM 449 CD ARG A 31 9.557 4.994 2.561 1.00 0.00 C ATOM 450 NE ARG A 31 9.897 6.136 1.719 1.00 0.00 N ATOM 451 CZ ARG A 31 9.860 7.400 2.135 1.00 0.00 C ATOM 452 NH1 ARG A 31 9.469 7.682 3.373 1.00 0.00 N ATOM 453 NH2 ARG A 31 10.217 8.379 1.314 1.00 0.00 N ATOM 0 H ARG A 31 6.944 1.369 4.406 1.00 0.00 H new ATOM 0 HA ARG A 31 5.917 3.066 2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.795 3.553 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.792 2.414 3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.623 3.784 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.531 4.893 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.333 5.342 3.569 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.419 4.331 2.636 1.00 0.00 H new ATOM 0 HE ARG A 31 10.179 5.955 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.197 6.930 4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.441 8.651 3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.520 8.163 0.364 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.189 9.348 1.633 1.00 0.00 H new ATOM 467 N LYS A 32 7.459 0.329 1.469 1.00 0.00 N ATOM 468 CA LYS A 32 7.669 -0.603 0.368 1.00 0.00 C ATOM 469 C LYS A 32 6.381 -0.756 -0.444 1.00 0.00 C ATOM 470 O LYS A 32 6.404 -0.754 -1.674 1.00 0.00 O ATOM 471 CB LYS A 32 8.101 -1.962 0.930 1.00 0.00 C ATOM 472 CG LYS A 32 8.441 -3.005 -0.122 1.00 0.00 C ATOM 473 CD LYS A 32 8.553 -4.393 0.498 1.00 0.00 C ATOM 474 CE LYS A 32 9.599 -4.445 1.601 1.00 0.00 C ATOM 475 NZ LYS A 32 9.628 -5.770 2.277 1.00 0.00 N ATOM 0 H LYS A 32 7.709 -0.048 2.383 1.00 0.00 H new ATOM 0 HA LYS A 32 8.450 -0.218 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.970 -1.815 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.301 -2.350 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.673 -3.010 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.381 -2.743 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.585 -4.688 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.808 -5.116 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.581 -4.231 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.391 -3.667 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.420 -5.799 2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.734 -5.919 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.751 -6.520 1.567 1.00 0.00 H new ATOM 489 N ILE A 33 5.262 -0.859 0.266 1.00 0.00 N ATOM 490 CA ILE A 33 3.952 -0.984 -0.364 1.00 0.00 C ATOM 491 C ILE A 33 3.551 0.324 -1.041 1.00 0.00 C ATOM 492 O ILE A 33 3.113 0.331 -2.193 1.00 0.00 O ATOM 493 CB ILE A 33 2.870 -1.363 0.669 1.00 0.00 C ATOM 494 CG1 ILE A 33 3.325 -2.571 1.492 1.00 0.00 C ATOM 495 CG2 ILE A 33 1.545 -1.656 -0.027 1.00 0.00 C ATOM 496 CD1 ILE A 33 2.411 -2.894 2.653 1.00 0.00 C ATOM 0 H ILE A 33 5.237 -0.858 1.286 1.00 0.00 H new ATOM 0 HA ILE A 33 4.027 -1.775 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 33 2.721 -0.520 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.390 -3.441 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.329 -2.383 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.794 -1.921 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.218 -0.771 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.675 -2.485 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.797 -3.761 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.365 -2.040 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.411 -3.114 2.279 1.00 0.00 H new ATOM 508 N ALA A 34 3.721 1.424 -0.314 1.00 0.00 N ATOM 509 CA ALA A 34 3.335 2.751 -0.796 1.00 0.00 C ATOM 510 C ALA A 34 4.074 3.132 -2.077 1.00 0.00 C ATOM 511 O ALA A 34 3.532 3.830 -2.929 1.00 0.00 O ATOM 512 CB ALA A 34 3.586 3.790 0.288 1.00 0.00 C ATOM 0 H ALA A 34 4.128 1.424 0.621 1.00 0.00 H new ATOM 0 HA ALA A 34 2.271 2.721 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.296 4.775 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.997 3.544 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.645 3.796 0.548 1.00 0.00 H new ATOM 518 N THR A 35 5.309 2.659 -2.204 1.00 0.00 N ATOM 519 CA THR A 35 6.143 2.953 -3.367 1.00 0.00 C ATOM 520 C THR A 35 5.448 2.569 -4.682 1.00 0.00 C ATOM 521 O THR A 35 5.681 3.190 -5.723 1.00 0.00 O ATOM 522 CB THR A 35 7.501 2.223 -3.259 1.00 0.00 C ATOM 523 OG1 THR A 35 8.157 2.591 -2.038 1.00 0.00 O ATOM 524 CG2 THR A 35 8.410 2.565 -4.433 1.00 0.00 C ATOM 0 H THR A 35 5.760 2.064 -1.509 1.00 0.00 H new ATOM 0 HA THR A 35 6.312 4.030 -3.378 1.00 0.00 H new ATOM 0 HB THR A 35 7.304 1.151 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.701 2.168 -1.281 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.357 2.035 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.929 2.266 -5.364 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.595 3.639 -4.449 1.00 0.00 H new ATOM 532 N ALA A 36 4.585 1.558 -4.624 1.00 0.00 N ATOM 533 CA ALA A 36 3.907 1.048 -5.812 1.00 0.00 C ATOM 534 C ALA A 36 3.084 2.128 -6.520 1.00 0.00 C ATOM 535 O ALA A 36 3.001 2.140 -7.751 1.00 0.00 O ATOM 536 CB ALA A 36 3.019 -0.133 -5.444 1.00 0.00 C ATOM 0 H ALA A 36 4.338 1.073 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 36 4.678 0.720 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.519 -0.505 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.629 -0.927 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.272 0.186 -4.717 1.00 0.00 H new ATOM 542 N LEU A 37 2.491 3.043 -5.756 1.00 0.00 N ATOM 543 CA LEU A 37 1.639 4.073 -6.338 1.00 0.00 C ATOM 544 C LEU A 37 2.475 5.136 -7.050 1.00 0.00 C ATOM 545 O LEU A 37 1.990 5.828 -7.944 1.00 0.00 O ATOM 546 CB LEU A 37 0.717 4.693 -5.271 1.00 0.00 C ATOM 547 CG LEU A 37 1.386 5.549 -4.187 1.00 0.00 C ATOM 548 CD1 LEU A 37 1.496 7.005 -4.624 1.00 0.00 C ATOM 549 CD2 LEU A 37 0.614 5.450 -2.878 1.00 0.00 C ATOM 0 H LEU A 37 2.584 3.091 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 37 1.001 3.604 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.024 5.309 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.176 3.885 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 37 2.394 5.164 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.974 7.586 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.093 7.068 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.500 7.404 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.102 6.063 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.406 5.804 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.592 4.412 -2.546 1.00 0.00 H new ATOM 561 N LEU A 38 3.735 5.263 -6.642 1.00 0.00 N ATOM 562 CA LEU A 38 4.662 6.182 -7.295 1.00 0.00 C ATOM 563 C LEU A 38 5.084 5.626 -8.649 1.00 0.00 C ATOM 564 O LEU A 38 5.467 6.373 -9.548 1.00 0.00 O ATOM 565 CB LEU A 38 5.914 6.435 -6.436 1.00 0.00 C ATOM 566 CG LEU A 38 5.724 7.321 -5.198 1.00 0.00 C ATOM 567 CD1 LEU A 38 4.960 8.587 -5.548 1.00 0.00 C ATOM 568 CD2 LEU A 38 5.031 6.560 -4.078 1.00 0.00 C ATOM 0 H LEU A 38 4.137 4.741 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 38 4.142 7.131 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.305 5.471 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.676 6.890 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 38 6.712 7.611 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.839 9.198 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.514 9.150 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.979 8.323 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.910 7.214 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.052 6.224 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.634 5.696 -3.798 1.00 0.00 H new ATOM 580 N LYS A 39 5.029 4.307 -8.780 1.00 0.00 N ATOM 581 CA LYS A 39 5.455 3.643 -9.997 1.00 0.00 C ATOM 582 C LYS A 39 4.378 3.696 -11.073 1.00 0.00 C ATOM 583 O LYS A 39 4.603 4.217 -12.166 1.00 0.00 O ATOM 584 CB LYS A 39 5.808 2.189 -9.700 1.00 0.00 C ATOM 585 CG LYS A 39 6.934 2.016 -8.692 1.00 0.00 C ATOM 586 CD LYS A 39 7.329 0.556 -8.552 1.00 0.00 C ATOM 587 CE LYS A 39 7.905 0.009 -9.849 1.00 0.00 C ATOM 588 NZ LYS A 39 8.178 -1.449 -9.763 1.00 0.00 N ATOM 0 H LYS A 39 4.691 3.677 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 39 6.333 4.169 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.919 1.680 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.090 1.697 -10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.799 2.601 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.621 2.405 -7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.064 0.451 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.458 -0.032 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.208 0.200 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.828 0.538 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.570 -1.783 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.863 -1.630 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.293 -1.957 -9.561 1.00 0.00 H new ATOM 602 N THR A 40 3.206 3.164 -10.756 1.00 0.00 N ATOM 603 CA THR A 40 2.129 3.064 -11.727 1.00 0.00 C ATOM 604 C THR A 40 0.796 3.436 -11.096 1.00 0.00 C ATOM 605 O THR A 40 0.225 4.482 -11.416 1.00 0.00 O ATOM 606 CB THR A 40 2.041 1.639 -12.320 1.00 0.00 C ATOM 607 OG1 THR A 40 2.150 0.664 -11.274 1.00 0.00 O ATOM 608 CG2 THR A 40 3.135 1.403 -13.353 1.00 0.00 C ATOM 0 H THR A 40 2.978 2.795 -9.833 1.00 0.00 H new ATOM 0 HA THR A 40 2.350 3.764 -12.532 1.00 0.00 H new ATOM 0 HB THR A 40 1.074 1.540 -12.814 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.289 0.211 -11.158 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.047 0.392 -13.752 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.031 2.124 -14.164 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.111 1.524 -12.883 1.00 0.00 H new ATOM 616 N ALA A 41 0.316 2.565 -10.201 1.00 0.00 N ATOM 617 CA ALA A 41 -0.941 2.762 -9.470 1.00 0.00 C ATOM 618 C ALA A 41 -2.160 2.658 -10.387 1.00 0.00 C ATOM 619 O ALA A 41 -3.008 1.789 -10.202 1.00 0.00 O ATOM 620 CB ALA A 41 -0.947 4.093 -8.729 1.00 0.00 C ATOM 0 H ALA A 41 0.793 1.696 -9.962 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.007 1.958 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.891 4.209 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.124 4.116 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.830 4.908 -9.444 1.00 0.00 H new ATOM 626 N ILE A 42 -2.229 3.539 -11.375 1.00 0.00 N ATOM 627 CA ILE A 42 -3.382 3.626 -12.267 1.00 0.00 C ATOM 628 C ILE A 42 -3.415 2.451 -13.244 1.00 0.00 C ATOM 629 O ILE A 42 -2.373 1.988 -13.718 1.00 0.00 O ATOM 630 CB ILE A 42 -3.366 4.958 -13.059 1.00 0.00 C ATOM 631 CG1 ILE A 42 -3.308 6.146 -12.096 1.00 0.00 C ATOM 632 CG2 ILE A 42 -4.589 5.073 -13.962 1.00 0.00 C ATOM 633 CD1 ILE A 42 -3.203 7.488 -12.790 1.00 0.00 C ATOM 0 H ILE A 42 -1.491 4.212 -11.582 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.277 3.590 -11.646 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.476 4.967 -13.689 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.201 6.139 -11.471 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.453 6.023 -11.432 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.552 6.017 -14.506 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.597 4.245 -14.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.494 5.039 -13.355 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.167 8.282 -12.044 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.296 7.515 -13.394 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.071 7.634 -13.433 1.00 0.00 H new ATOM 645 N GLU A 43 -4.616 1.963 -13.524 1.00 0.00 N ATOM 646 CA GLU A 43 -4.810 0.887 -14.485 1.00 0.00 C ATOM 647 C GLU A 43 -5.514 1.399 -15.731 1.00 0.00 C ATOM 648 O GLU A 43 -6.285 2.359 -15.675 1.00 0.00 O ATOM 649 CB GLU A 43 -5.604 -0.282 -13.879 1.00 0.00 C ATOM 650 CG GLU A 43 -6.615 0.113 -12.818 1.00 0.00 C ATOM 651 CD GLU A 43 -5.966 0.373 -11.478 1.00 0.00 C ATOM 652 OE1 GLU A 43 -4.990 -0.336 -11.137 1.00 0.00 O ATOM 653 OE2 GLU A 43 -6.436 1.271 -10.746 1.00 0.00 O ATOM 0 H GLU A 43 -5.478 2.300 -13.094 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.822 0.518 -14.759 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.126 -0.802 -14.682 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.901 -0.992 -13.444 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.147 1.007 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.357 -0.679 -12.713 1.00 0.00 H new ATOM 660 N ILE A 44 -5.238 0.752 -16.851 1.00 0.00 N ATOM 661 CA ILE A 44 -5.830 1.125 -18.114 1.00 0.00 C ATOM 662 C ILE A 44 -6.963 0.174 -18.479 1.00 0.00 C ATOM 663 O ILE A 44 -6.761 -1.032 -18.621 1.00 0.00 O ATOM 664 CB ILE A 44 -4.774 1.139 -19.239 1.00 0.00 C ATOM 665 CG1 ILE A 44 -3.948 -0.156 -19.235 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.869 2.354 -19.095 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.941 -0.238 -20.361 1.00 0.00 C ATOM 0 H ILE A 44 -4.600 -0.042 -16.905 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.234 2.131 -18.006 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.293 1.201 -20.196 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.423 -0.239 -18.283 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.624 -1.008 -19.301 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.128 2.353 -19.895 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.468 3.263 -19.156 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.362 2.318 -18.131 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.395 -1.179 -20.293 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.460 -0.188 -21.318 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.241 0.594 -20.284 1.00 0.00 H new ATOM 679 N VAL A 45 -8.159 0.721 -18.602 1.00 0.00 N ATOM 680 CA VAL A 45 -9.320 -0.068 -18.979 1.00 0.00 C ATOM 681 C VAL A 45 -9.553 0.076 -20.474 1.00 0.00 C ATOM 682 O VAL A 45 -9.388 1.160 -21.023 1.00 0.00 O ATOM 683 CB VAL A 45 -10.589 0.380 -18.223 1.00 0.00 C ATOM 684 CG1 VAL A 45 -11.744 -0.577 -18.474 1.00 0.00 C ATOM 685 CG2 VAL A 45 -10.303 0.515 -16.734 1.00 0.00 C ATOM 0 H VAL A 45 -8.353 1.710 -18.446 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.122 -1.107 -18.716 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.884 1.358 -18.604 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.624 -0.236 -17.929 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.967 -0.607 -19.541 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.470 -1.575 -18.133 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.209 0.832 -16.217 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.976 -0.446 -16.338 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.519 1.257 -16.580 1.00 0.00 H new ATOM 772 N HIS A 53 -9.558 3.791 -21.273 1.00 0.00 N ATOM 773 CA HIS A 53 -9.951 4.610 -20.136 1.00 0.00 C ATOM 774 C HIS A 53 -8.860 4.644 -19.078 1.00 0.00 C ATOM 775 O HIS A 53 -8.381 3.599 -18.635 1.00 0.00 O ATOM 776 CB HIS A 53 -11.234 4.075 -19.499 1.00 0.00 C ATOM 777 CG HIS A 53 -12.400 4.061 -20.424 1.00 0.00 C ATOM 778 ND1 HIS A 53 -13.195 5.158 -20.649 1.00 0.00 N ATOM 779 CD2 HIS A 53 -12.902 3.071 -21.191 1.00 0.00 C ATOM 780 CE1 HIS A 53 -14.132 4.845 -21.514 1.00 0.00 C ATOM 781 NE2 HIS A 53 -13.982 3.580 -21.864 1.00 0.00 N ATOM 0 HA HIS A 53 -10.120 5.619 -20.512 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.055 3.062 -19.138 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.479 4.684 -18.629 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.522 2.062 -21.262 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.899 5.512 -21.879 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -14.570 3.069 -22.523 1.00 0.00 H new ATOM 790 N ASN A 54 -8.480 5.845 -18.682 1.00 0.00 N ATOM 791 CA ASN A 54 -7.599 6.036 -17.546 1.00 0.00 C ATOM 792 C ASN A 54 -8.466 6.202 -16.307 1.00 0.00 C ATOM 793 O ASN A 54 -9.094 7.245 -16.116 1.00 0.00 O ATOM 794 CB ASN A 54 -6.722 7.275 -17.769 1.00 0.00 C ATOM 795 CG ASN A 54 -5.757 7.539 -16.629 1.00 0.00 C ATOM 796 OD1 ASN A 54 -4.627 7.058 -16.637 1.00 0.00 O ATOM 797 ND2 ASN A 54 -6.194 8.311 -15.646 1.00 0.00 N ATOM 0 H ASN A 54 -8.772 6.710 -19.136 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.937 5.179 -17.421 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.157 7.150 -18.693 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.363 8.146 -17.903 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.584 8.526 -14.857 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.140 8.691 -15.678 1.00 0.00 H new ATOM 804 N GLN A 55 -8.521 5.176 -15.477 1.00 0.00 N ATOM 805 CA GLN A 55 -9.475 5.162 -14.380 1.00 0.00 C ATOM 806 C GLN A 55 -8.777 5.116 -13.030 1.00 0.00 C ATOM 807 O GLN A 55 -7.738 4.478 -12.873 1.00 0.00 O ATOM 808 CB GLN A 55 -10.417 3.961 -14.510 1.00 0.00 C ATOM 809 CG GLN A 55 -11.559 3.971 -13.502 1.00 0.00 C ATOM 810 CD GLN A 55 -12.433 2.732 -13.576 1.00 0.00 C ATOM 811 OE1 GLN A 55 -13.635 2.790 -13.311 1.00 0.00 O ATOM 812 NE2 GLN A 55 -11.839 1.598 -13.917 1.00 0.00 N ATOM 0 H GLN A 55 -7.925 4.351 -15.539 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.050 6.086 -14.436 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.833 3.943 -15.517 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.842 3.043 -14.386 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.147 4.057 -12.497 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.176 4.854 -13.671 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.841 1.589 -14.130 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.379 0.734 -13.967 1.00 0.00 H new ATOM 821 N CYS A 56 -9.360 5.805 -12.064 1.00 0.00 N ATOM 822 CA CYS A 56 -8.907 5.728 -10.690 1.00 0.00 C ATOM 823 C CYS A 56 -9.691 4.636 -9.971 1.00 0.00 C ATOM 824 O CYS A 56 -10.895 4.776 -9.755 1.00 0.00 O ATOM 825 CB CYS A 56 -9.096 7.076 -9.994 1.00 0.00 C ATOM 826 SG CYS A 56 -8.265 8.453 -10.819 1.00 0.00 S ATOM 0 H CYS A 56 -10.154 6.428 -12.210 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.845 5.484 -10.666 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.162 7.294 -9.930 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.725 7.001 -8.972 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.484 9.551 -10.158 1.00 0.00 H new ATOM 832 N LYS A 57 -8.990 3.559 -9.620 1.00 0.00 N ATOM 833 CA LYS A 57 -9.594 2.331 -9.086 1.00 0.00 C ATOM 834 C LYS A 57 -10.740 2.577 -8.097 1.00 0.00 C ATOM 835 O LYS A 57 -11.822 2.009 -8.248 1.00 0.00 O ATOM 836 CB LYS A 57 -8.515 1.481 -8.409 1.00 0.00 C ATOM 837 CG LYS A 57 -9.034 0.164 -7.854 1.00 0.00 C ATOM 838 CD LYS A 57 -7.948 -0.624 -7.131 1.00 0.00 C ATOM 839 CE LYS A 57 -6.946 -1.250 -8.094 1.00 0.00 C ATOM 840 NZ LYS A 57 -5.961 -0.269 -8.629 1.00 0.00 N ATOM 0 H LYS A 57 -7.974 3.510 -9.698 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.029 1.810 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.723 1.275 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.068 2.056 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.857 0.360 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.436 -0.438 -8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.422 0.036 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.410 -1.408 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.412 -2.051 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.485 -1.705 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.307 -0.752 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.464 0.483 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.424 0.148 -7.842 1.00 0.00 H new ATOM 854 N LEU A 58 -10.515 3.417 -7.094 1.00 0.00 N ATOM 855 CA LEU A 58 -11.501 3.586 -6.033 1.00 0.00 C ATOM 856 C LEU A 58 -11.819 5.048 -5.774 1.00 0.00 C ATOM 857 O LEU A 58 -12.533 5.391 -4.831 1.00 0.00 O ATOM 858 CB LEU A 58 -11.070 2.866 -4.737 1.00 0.00 C ATOM 859 CG LEU A 58 -9.696 3.200 -4.093 1.00 0.00 C ATOM 860 CD1 LEU A 58 -8.525 2.808 -4.985 1.00 0.00 C ATOM 861 CD2 LEU A 58 -9.595 4.663 -3.701 1.00 0.00 C ATOM 0 H LEU A 58 -9.673 3.984 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.421 3.117 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.837 3.058 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.083 1.795 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.636 2.599 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.588 3.063 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.555 1.735 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.592 3.346 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.619 4.854 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.717 5.286 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.377 4.901 -2.980 1.00 0.00 H new ATOM 873 N CYS A 59 -11.294 5.900 -6.624 1.00 0.00 N ATOM 874 CA CYS A 59 -11.521 7.337 -6.503 1.00 0.00 C ATOM 875 C CYS A 59 -12.818 7.749 -7.191 1.00 0.00 C ATOM 876 O CYS A 59 -13.235 8.903 -7.101 1.00 0.00 O ATOM 877 CB CYS A 59 -10.344 8.126 -7.074 1.00 0.00 C ATOM 878 SG CYS A 59 -8.778 7.824 -6.230 1.00 0.00 S ATOM 0 H CYS A 59 -10.704 5.630 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.609 7.568 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.230 7.876 -8.129 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.574 9.190 -7.021 1.00 0.00 H new ATOM 0 HG CYS A 59 -7.842 8.534 -6.786 1.00 0.00 H new ATOM 884 N GLY A 60 -13.453 6.797 -7.867 1.00 0.00 N ATOM 885 CA GLY A 60 -14.723 7.062 -8.517 1.00 0.00 C ATOM 886 C GLY A 60 -14.601 8.024 -9.678 1.00 0.00 C ATOM 887 O GLY A 60 -15.419 8.935 -9.831 1.00 0.00 O ATOM 0 H GLY A 60 -13.109 5.843 -7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.146 6.123 -8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.421 7.469 -7.786 1.00 0.00 H new ATOM 891 N ALA A 61 -13.593 7.813 -10.510 1.00 0.00 N ATOM 892 CA ALA A 61 -13.339 8.697 -11.632 1.00 0.00 C ATOM 893 C ALA A 61 -12.680 7.954 -12.789 1.00 0.00 C ATOM 894 O ALA A 61 -11.782 7.134 -12.587 1.00 0.00 O ATOM 895 CB ALA A 61 -12.473 9.858 -11.189 1.00 0.00 C ATOM 0 H ALA A 61 -12.938 7.036 -10.427 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.297 9.078 -11.987 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.287 10.517 -12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.984 10.414 -10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.524 9.480 -10.808 1.00 0.00 H new ATOM 901 N SER A 62 -13.131 8.251 -13.997 1.00 0.00 N ATOM 902 CA SER A 62 -12.592 7.635 -15.199 1.00 0.00 C ATOM 903 C SER A 62 -12.503 8.681 -16.307 1.00 0.00 C ATOM 904 O SER A 62 -13.462 9.412 -16.556 1.00 0.00 O ATOM 905 CB SER A 62 -13.484 6.464 -15.628 1.00 0.00 C ATOM 906 OG SER A 62 -12.918 5.742 -16.709 1.00 0.00 O ATOM 0 H SER A 62 -13.878 8.923 -14.172 1.00 0.00 H new ATOM 0 HA SER A 62 -11.592 7.249 -14.999 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.636 5.793 -14.782 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.465 6.841 -15.916 1.00 0.00 H new ATOM 0 HG SER A 62 -13.512 5.002 -16.955 1.00 0.00 H new ATOM 912 N VAL A 63 -11.351 8.766 -16.950 1.00 0.00 N ATOM 913 CA VAL A 63 -11.125 9.770 -17.981 1.00 0.00 C ATOM 914 C VAL A 63 -10.534 9.117 -19.236 1.00 0.00 C ATOM 915 O VAL A 63 -9.771 8.157 -19.133 1.00 0.00 O ATOM 916 CB VAL A 63 -10.181 10.892 -17.458 1.00 0.00 C ATOM 917 CG1 VAL A 63 -8.755 10.384 -17.267 1.00 0.00 C ATOM 918 CG2 VAL A 63 -10.198 12.099 -18.377 1.00 0.00 C ATOM 0 H VAL A 63 -10.555 8.152 -16.777 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.083 10.222 -18.239 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.559 11.200 -16.483 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.126 11.195 -16.901 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.753 9.569 -16.544 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.366 10.025 -18.220 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.529 12.865 -17.984 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.867 11.803 -19.372 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.211 12.498 -18.435 1.00 0.00 H new ATOM 928 N PRO A 64 -10.924 9.587 -20.440 1.00 0.00 N ATOM 929 CA PRO A 64 -10.329 9.134 -21.702 1.00 0.00 C ATOM 930 C PRO A 64 -8.805 9.110 -21.649 1.00 0.00 C ATOM 931 O PRO A 64 -8.172 10.031 -21.122 1.00 0.00 O ATOM 932 CB PRO A 64 -10.814 10.173 -22.712 1.00 0.00 C ATOM 933 CG PRO A 64 -12.120 10.638 -22.166 1.00 0.00 C ATOM 934 CD PRO A 64 -12.003 10.565 -20.666 1.00 0.00 C ATOM 0 HA PRO A 64 -10.619 8.112 -21.948 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.106 10.997 -22.806 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.930 9.738 -23.705 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.336 11.656 -22.490 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.936 10.010 -22.523 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -11.758 11.536 -20.237 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.938 10.241 -20.208 1.00 0.00 H new ATOM 942 N TRP A 65 -8.232 8.043 -22.186 1.00 0.00 N ATOM 943 CA TRP A 65 -6.790 7.839 -22.175 1.00 0.00 C ATOM 944 C TRP A 65 -6.053 8.987 -22.867 1.00 0.00 C ATOM 945 O TRP A 65 -6.389 9.367 -23.991 1.00 0.00 O ATOM 946 CB TRP A 65 -6.471 6.504 -22.850 1.00 0.00 C ATOM 947 CG TRP A 65 -5.012 6.171 -22.922 1.00 0.00 C ATOM 948 CD1 TRP A 65 -4.291 5.930 -24.053 1.00 0.00 C ATOM 949 CD2 TRP A 65 -4.099 6.032 -21.825 1.00 0.00 C ATOM 950 NE1 TRP A 65 -2.982 5.654 -23.731 1.00 0.00 N ATOM 951 CE2 TRP A 65 -2.840 5.712 -22.368 1.00 0.00 C ATOM 952 CE3 TRP A 65 -4.223 6.150 -20.438 1.00 0.00 C ATOM 953 CZ2 TRP A 65 -1.713 5.512 -21.572 1.00 0.00 C ATOM 954 CZ3 TRP A 65 -3.104 5.951 -19.650 1.00 0.00 C ATOM 955 CH2 TRP A 65 -1.865 5.635 -20.218 1.00 0.00 C ATOM 0 H TRP A 65 -8.753 7.294 -22.642 1.00 0.00 H new ATOM 0 HA TRP A 65 -6.446 7.819 -21.141 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.985 5.708 -22.311 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.877 6.518 -23.862 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.689 5.952 -25.057 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -2.239 5.441 -24.397 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -5.175 6.392 -19.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -0.755 5.269 -22.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -3.188 6.041 -18.577 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -1.011 5.485 -19.574 1.00 0.00 H new ATOM 966 N LEU A 66 -5.072 9.547 -22.155 1.00 0.00 N ATOM 967 CA LEU A 66 -4.198 10.611 -22.667 1.00 0.00 C ATOM 968 C LEU A 66 -4.925 11.951 -22.796 1.00 0.00 C ATOM 969 O LEU A 66 -4.370 12.907 -23.342 1.00 0.00 O ATOM 970 CB LEU A 66 -3.571 10.229 -24.015 1.00 0.00 C ATOM 971 CG LEU A 66 -2.568 9.073 -23.971 1.00 0.00 C ATOM 972 CD1 LEU A 66 -2.034 8.782 -25.366 1.00 0.00 C ATOM 973 CD2 LEU A 66 -1.426 9.390 -23.014 1.00 0.00 C ATOM 0 H LEU A 66 -4.858 9.273 -21.196 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.404 10.728 -21.930 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.371 9.967 -24.707 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.070 11.106 -24.425 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.081 8.184 -23.606 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.322 7.958 -25.319 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.861 8.510 -26.023 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.536 9.669 -25.757 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.724 8.556 -22.997 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.911 10.291 -23.347 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.825 9.550 -22.012 1.00 0.00 H new ATOM 985 N GLN A 67 -6.149 12.035 -22.285 1.00 0.00 N ATOM 986 CA GLN A 67 -6.904 13.282 -22.349 1.00 0.00 C ATOM 987 C GLN A 67 -6.360 14.274 -21.324 1.00 0.00 C ATOM 988 O GLN A 67 -6.194 15.459 -21.624 1.00 0.00 O ATOM 989 CB GLN A 67 -8.402 13.019 -22.135 1.00 0.00 C ATOM 990 CG GLN A 67 -9.307 14.200 -22.498 1.00 0.00 C ATOM 991 CD GLN A 67 -9.509 15.201 -21.370 1.00 0.00 C ATOM 992 OE1 GLN A 67 -9.647 16.400 -21.609 1.00 0.00 O ATOM 993 NE2 GLN A 67 -9.571 14.718 -20.140 1.00 0.00 N ATOM 0 H GLN A 67 -6.635 11.264 -21.827 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.786 13.718 -23.341 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.696 12.155 -22.730 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.567 12.757 -21.090 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.881 14.719 -23.357 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.279 13.817 -22.807 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.452 13.718 -19.978 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.738 15.346 -19.353 1.00 0.00 H new ATOM 1002 N THR A 68 -6.062 13.780 -20.124 1.00 0.00 N ATOM 1003 CA THR A 68 -5.494 14.607 -19.063 1.00 0.00 C ATOM 1004 C THR A 68 -4.489 13.820 -18.225 1.00 0.00 C ATOM 1005 O THR A 68 -3.277 13.977 -18.375 1.00 0.00 O ATOM 1006 CB THR A 68 -6.591 15.164 -18.137 1.00 0.00 C ATOM 1007 OG1 THR A 68 -7.605 14.167 -17.942 1.00 0.00 O ATOM 1008 CG2 THR A 68 -7.201 16.436 -18.706 1.00 0.00 C ATOM 0 H THR A 68 -6.206 12.805 -19.862 1.00 0.00 H new ATOM 0 HA THR A 68 -4.983 15.437 -19.551 1.00 0.00 H new ATOM 0 HB THR A 68 -6.139 15.416 -17.177 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.302 14.521 -17.351 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.972 16.804 -18.029 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.425 17.193 -18.818 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.644 16.223 -19.679 1.00 0.00 H new ATOM 1016 N GLY A 69 -5.003 12.968 -17.349 1.00 0.00 N ATOM 1017 CA GLY A 69 -4.149 12.191 -16.476 1.00 0.00 C ATOM 1018 C GLY A 69 -4.447 12.450 -15.017 1.00 0.00 C ATOM 1019 O GLY A 69 -5.376 11.867 -14.459 1.00 0.00 O ATOM 0 H GLY A 69 -6.002 12.801 -17.228 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.280 11.130 -16.690 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.106 12.431 -16.681 1.00 0.00 H new ATOM 1091 N HIS A 74 -11.210 13.258 -7.814 1.00 0.00 N ATOM 1092 CA HIS A 74 -10.491 12.504 -6.797 1.00 0.00 C ATOM 1093 C HIS A 74 -11.413 12.226 -5.621 1.00 0.00 C ATOM 1094 O HIS A 74 -12.402 12.932 -5.425 1.00 0.00 O ATOM 1095 CB HIS A 74 -9.247 13.267 -6.319 1.00 0.00 C ATOM 1096 CG HIS A 74 -8.175 13.422 -7.362 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -7.165 12.501 -7.543 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -7.952 14.401 -8.274 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -6.369 12.906 -8.519 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -6.825 14.055 -8.980 1.00 0.00 N ATOM 0 HA HIS A 74 -10.162 11.562 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -9.551 14.257 -5.978 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.826 12.749 -5.457 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.550 15.289 -8.419 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.494 12.384 -8.878 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.409 14.598 -9.737 1.00 0.00 H new ATOM 1109 N ALA A 75 -11.095 11.198 -4.852 1.00 0.00 N ATOM 1110 CA ALA A 75 -11.893 10.842 -3.689 1.00 0.00 C ATOM 1111 C ALA A 75 -11.240 11.383 -2.425 1.00 0.00 C ATOM 1112 O ALA A 75 -10.012 11.389 -2.307 1.00 0.00 O ATOM 1113 CB ALA A 75 -12.068 9.334 -3.608 1.00 0.00 C ATOM 0 H ALA A 75 -10.289 10.594 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.882 11.291 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.667 9.084 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.572 8.977 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.091 8.858 -3.527 1.00 0.00 H new ATOM 1119 N ASP A 76 -12.056 11.828 -1.485 1.00 0.00 N ATOM 1120 CA ASP A 76 -11.548 12.467 -0.275 1.00 0.00 C ATOM 1121 C ASP A 76 -11.625 11.515 0.918 1.00 0.00 C ATOM 1122 O ASP A 76 -10.903 11.670 1.901 1.00 0.00 O ATOM 1123 CB ASP A 76 -12.339 13.745 0.012 1.00 0.00 C ATOM 1124 CG ASP A 76 -11.677 14.623 1.055 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -10.543 15.086 0.811 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -12.301 14.884 2.108 1.00 0.00 O ATOM 0 H ASP A 76 -13.073 11.761 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.501 12.725 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.455 14.311 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.340 13.479 0.350 1.00 0.00 H new ATOM 1131 N ASP A 77 -12.501 10.525 0.816 1.00 0.00 N ATOM 1132 CA ASP A 77 -12.661 9.525 1.871 1.00 0.00 C ATOM 1133 C ASP A 77 -11.826 8.284 1.560 1.00 0.00 C ATOM 1134 O ASP A 77 -11.785 7.323 2.330 1.00 0.00 O ATOM 1135 CB ASP A 77 -14.143 9.151 2.008 1.00 0.00 C ATOM 1136 CG ASP A 77 -14.422 8.184 3.147 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -14.182 8.549 4.320 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.898 7.059 2.878 1.00 0.00 O ATOM 0 H ASP A 77 -13.115 10.390 0.013 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.311 9.945 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.726 10.059 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.485 8.707 1.073 1.00 0.00 H new ATOM 1143 N CYS A 78 -11.143 8.326 0.428 1.00 0.00 N ATOM 1144 CA CYS A 78 -10.361 7.189 -0.046 1.00 0.00 C ATOM 1145 C CYS A 78 -9.073 7.030 0.760 1.00 0.00 C ATOM 1146 O CYS A 78 -8.513 8.009 1.256 1.00 0.00 O ATOM 1147 CB CYS A 78 -10.023 7.364 -1.527 1.00 0.00 C ATOM 1148 SG CYS A 78 -8.851 8.701 -1.869 1.00 0.00 S ATOM 0 H CYS A 78 -11.113 9.140 -0.186 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.963 6.290 0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -9.611 6.429 -1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.944 7.554 -2.078 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.422 9.847 -1.644 1.00 0.00 H new ATOM 1154 N PRO A 79 -8.584 5.788 0.894 1.00 0.00 N ATOM 1155 CA PRO A 79 -7.336 5.500 1.610 1.00 0.00 C ATOM 1156 C PRO A 79 -6.100 6.016 0.874 1.00 0.00 C ATOM 1157 O PRO A 79 -5.002 6.027 1.427 1.00 0.00 O ATOM 1158 CB PRO A 79 -7.318 3.971 1.695 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.157 3.516 0.551 1.00 0.00 C ATOM 1160 CD PRO A 79 -9.223 4.561 0.384 1.00 0.00 C ATOM 0 HA PRO A 79 -7.304 5.994 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.302 3.583 1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.723 3.623 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.561 3.417 -0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.596 2.539 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.521 4.667 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.122 4.312 0.949 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.286 6.456 -0.367 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.185 6.974 -1.171 1.00 0.00 C ATOM 1170 C VAL A 80 -4.576 8.215 -0.517 1.00 0.00 C ATOM 1171 O VAL A 80 -3.358 8.392 -0.518 1.00 0.00 O ATOM 1172 CB VAL A 80 -5.657 7.320 -2.603 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -4.506 7.836 -3.459 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.312 6.109 -3.257 1.00 0.00 C ATOM 0 H VAL A 80 -7.191 6.464 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.426 6.194 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.396 8.117 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.872 8.070 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.090 8.736 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.731 7.072 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.638 6.371 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.594 5.291 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.174 5.798 -2.666 1.00 0.00 H new ATOM 1184 N VAL A 81 -5.429 9.058 0.061 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.962 10.251 0.757 1.00 0.00 C ATOM 1186 C VAL A 81 -4.099 9.855 1.951 1.00 0.00 C ATOM 1187 O VAL A 81 -3.010 10.392 2.148 1.00 0.00 O ATOM 1188 CB VAL A 81 -6.142 11.122 1.243 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -5.641 12.397 1.908 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -7.080 11.450 0.087 1.00 0.00 C ATOM 0 H VAL A 81 -6.442 8.937 0.061 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.372 10.836 0.052 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.699 10.551 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.491 12.992 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.020 12.140 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.053 12.973 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.904 12.064 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.533 11.995 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.475 10.526 -0.335 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.590 8.889 2.719 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.872 8.373 3.879 1.00 0.00 C ATOM 1202 C ILE A 82 -2.503 7.832 3.471 1.00 0.00 C ATOM 1203 O ILE A 82 -1.492 8.140 4.102 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.676 7.246 4.569 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -6.072 7.740 4.969 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -3.931 6.719 5.787 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -6.063 8.837 6.014 1.00 0.00 C ATOM 0 H ILE A 82 -5.493 8.443 2.556 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.741 9.199 4.578 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.791 6.430 3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.586 8.104 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.650 6.897 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.515 5.927 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.964 6.322 5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.780 7.530 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.088 9.131 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.580 8.472 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.515 9.699 5.632 1.00 0.00 H new ATOM 1219 N ALA A 83 -2.481 7.041 2.402 1.00 0.00 N ATOM 1220 CA ALA A 83 -1.247 6.438 1.906 1.00 0.00 C ATOM 1221 C ALA A 83 -0.197 7.501 1.599 1.00 0.00 C ATOM 1222 O ALA A 83 0.972 7.346 1.953 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.531 5.596 0.670 1.00 0.00 C ATOM 0 H ALA A 83 -3.310 6.801 1.859 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.848 5.792 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.602 5.152 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.237 4.805 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.957 6.227 -0.110 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.623 8.588 0.961 1.00 0.00 N ATOM 1230 CA LYS A 84 0.281 9.684 0.635 1.00 0.00 C ATOM 1231 C LYS A 84 0.870 10.293 1.899 1.00 0.00 C ATOM 1232 O LYS A 84 2.076 10.535 1.978 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.439 10.768 -0.163 1.00 0.00 C ATOM 1234 CG LYS A 84 -0.838 10.346 -1.566 1.00 0.00 C ATOM 1235 CD LYS A 84 -1.328 11.537 -2.371 1.00 0.00 C ATOM 1236 CE LYS A 84 -1.649 11.153 -3.805 1.00 0.00 C ATOM 1237 NZ LYS A 84 -1.897 12.349 -4.649 1.00 0.00 N ATOM 0 H LYS A 84 -1.587 8.732 0.661 1.00 0.00 H new ATOM 0 HA LYS A 84 1.087 9.274 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.333 11.071 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.206 11.644 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.014 9.888 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.621 9.590 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.217 11.954 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.567 12.318 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.822 10.578 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.527 10.507 -3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.113 12.049 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.702 12.884 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.050 12.953 -4.653 1.00 0.00 H new ATOM 1251 N GLN A 85 0.015 10.532 2.886 1.00 0.00 N ATOM 1252 CA GLN A 85 0.437 11.107 4.149 1.00 0.00 C ATOM 1253 C GLN A 85 1.418 10.175 4.859 1.00 0.00 C ATOM 1254 O GLN A 85 2.402 10.621 5.454 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.791 11.369 5.022 1.00 0.00 C ATOM 1256 CG GLN A 85 -1.821 12.268 4.356 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.990 12.606 5.260 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -3.978 11.876 5.318 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -2.893 13.727 5.955 1.00 0.00 N ATOM 0 H GLN A 85 -0.984 10.333 2.830 1.00 0.00 H new ATOM 0 HA GLN A 85 0.948 12.051 3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.259 10.417 5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.472 11.826 5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.337 13.191 4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.195 11.778 3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.055 14.304 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.656 14.015 6.568 1.00 0.00 H new ATOM 1268 N ILE A 86 1.145 8.879 4.764 1.00 0.00 N ATOM 1269 CA ILE A 86 1.991 7.856 5.363 1.00 0.00 C ATOM 1270 C ILE A 86 3.400 7.874 4.770 1.00 0.00 C ATOM 1271 O ILE A 86 4.386 8.012 5.497 1.00 0.00 O ATOM 1272 CB ILE A 86 1.373 6.446 5.180 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.095 6.308 6.014 1.00 0.00 C ATOM 1274 CG2 ILE A 86 2.369 5.356 5.552 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.611 4.976 5.842 1.00 0.00 C ATOM 0 H ILE A 86 0.333 8.509 4.270 1.00 0.00 H new ATOM 0 HA ILE A 86 2.058 8.083 6.427 1.00 0.00 H new ATOM 0 HB ILE A 86 1.119 6.326 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.344 6.443 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.592 7.110 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.907 4.378 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.250 5.435 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.664 5.473 6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.506 4.955 6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.893 4.846 4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.057 4.169 6.141 1.00 0.00 H new ATOM 1287 N LEU A 87 3.491 7.762 3.447 1.00 0.00 N ATOM 1288 CA LEU A 87 4.786 7.656 2.781 1.00 0.00 C ATOM 1289 C LEU A 87 5.558 8.973 2.854 1.00 0.00 C ATOM 1290 O LEU A 87 6.774 8.998 2.666 1.00 0.00 O ATOM 1291 CB LEU A 87 4.608 7.192 1.325 1.00 0.00 C ATOM 1292 CG LEU A 87 3.843 8.143 0.395 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.782 9.159 -0.233 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.115 7.357 -0.684 1.00 0.00 C ATOM 0 H LEU A 87 2.688 7.742 2.818 1.00 0.00 H new ATOM 0 HA LEU A 87 5.376 6.905 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.596 7.018 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.091 6.232 1.333 1.00 0.00 H new ATOM 0 HG LEU A 87 3.107 8.683 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.216 9.822 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.260 9.746 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.544 8.640 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.577 8.046 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.838 6.791 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.408 6.670 -0.219 1.00 0.00 H new ATOM 1306 N SER A 88 4.855 10.063 3.129 1.00 0.00 N ATOM 1307 CA SER A 88 5.495 11.357 3.262 1.00 0.00 C ATOM 1308 C SER A 88 6.104 11.515 4.652 1.00 0.00 C ATOM 1309 O SER A 88 7.206 12.049 4.795 1.00 0.00 O ATOM 1310 CB SER A 88 4.485 12.469 2.985 1.00 0.00 C ATOM 1311 OG SER A 88 3.997 12.390 1.656 1.00 0.00 O ATOM 0 H SER A 88 3.844 10.074 3.263 1.00 0.00 H new ATOM 0 HA SER A 88 6.301 11.427 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.654 12.394 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.953 13.440 3.148 1.00 0.00 H new ATOM 0 HG SER A 88 3.271 11.733 1.613 1.00 0.00 H new ATOM 1317 N SER A 89 5.374 11.045 5.668 1.00 0.00 N ATOM 1318 CA SER A 89 5.835 11.071 7.060 1.00 0.00 C ATOM 1319 C SER A 89 6.055 12.506 7.556 1.00 0.00 C ATOM 1320 O SER A 89 6.698 12.729 8.583 1.00 0.00 O ATOM 1321 CB SER A 89 7.127 10.261 7.205 1.00 0.00 C ATOM 1322 OG SER A 89 7.025 9.004 6.548 1.00 0.00 O ATOM 0 H SER A 89 4.447 10.636 5.549 1.00 0.00 H new ATOM 0 HA SER A 89 5.056 10.621 7.675 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.961 10.825 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.344 10.105 8.262 1.00 0.00 H new ATOM 0 HG SER A 89 6.080 8.784 6.407 1.00 0.00 H new ATOM 1328 N ARG A 90 5.500 13.471 6.836 1.00 0.00 N ATOM 1329 CA ARG A 90 5.682 14.874 7.169 1.00 0.00 C ATOM 1330 C ARG A 90 4.338 15.588 7.267 1.00 0.00 C ATOM 1331 O ARG A 90 3.572 15.624 6.304 1.00 0.00 O ATOM 1332 CB ARG A 90 6.587 15.558 6.137 1.00 0.00 C ATOM 1333 CG ARG A 90 6.175 15.324 4.692 1.00 0.00 C ATOM 1334 CD ARG A 90 7.151 15.980 3.729 1.00 0.00 C ATOM 1335 NE ARG A 90 6.841 15.680 2.330 1.00 0.00 N ATOM 1336 CZ ARG A 90 7.404 16.301 1.291 1.00 0.00 C ATOM 1337 NH1 ARG A 90 8.289 17.272 1.489 1.00 0.00 N ATOM 1338 NH2 ARG A 90 7.081 15.954 0.051 1.00 0.00 N ATOM 0 H ARG A 90 4.918 13.305 6.015 1.00 0.00 H new ATOM 0 HA ARG A 90 6.166 14.933 8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.594 16.630 6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.608 15.202 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.128 14.253 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.174 15.723 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.135 17.060 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.162 15.642 3.955 1.00 0.00 H new ATOM 0 HE ARG A 90 6.153 14.952 2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.541 17.546 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.716 17.743 0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.401 15.211 -0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.513 16.430 -0.741 1.00 0.00 H new ATOM 1710 N TYR B 18 1.741 8.471 12.188 1.00 0.00 N ATOM 1711 CA TYR B 18 1.939 7.119 11.704 1.00 0.00 C ATOM 1712 C TYR B 18 3.431 6.812 11.705 1.00 0.00 C ATOM 1713 O TYR B 18 4.242 7.722 11.527 1.00 0.00 O ATOM 1714 CB TYR B 18 1.349 6.976 10.296 1.00 0.00 C ATOM 1715 CG TYR B 18 1.040 5.551 9.895 1.00 0.00 C ATOM 1716 CD1 TYR B 18 -0.125 4.929 10.328 1.00 0.00 C ATOM 1717 CD2 TYR B 18 1.899 4.833 9.076 1.00 0.00 C ATOM 1718 CE1 TYR B 18 -0.421 3.628 9.962 1.00 0.00 C ATOM 1719 CE2 TYR B 18 1.612 3.533 8.701 1.00 0.00 C ATOM 1720 CZ TYR B 18 0.450 2.936 9.145 1.00 0.00 C ATOM 1721 OH TYR B 18 0.167 1.641 8.776 1.00 0.00 O ATOM 0 HA TYR B 18 1.429 6.408 12.354 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.434 7.565 10.236 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.049 7.401 9.576 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.812 5.471 10.962 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.809 5.298 8.725 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.327 3.157 10.313 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.293 2.988 8.064 1.00 0.00 H new ATOM 0 HH TYR B 18 0.883 1.301 8.199 1.00 0.00 H new ATOM 1731 N PHE B 19 3.772 5.542 11.917 1.00 0.00 N ATOM 1732 CA PHE B 19 5.162 5.093 12.049 1.00 0.00 C ATOM 1733 C PHE B 19 5.742 5.486 13.402 1.00 0.00 C ATOM 1734 O PHE B 19 5.633 6.636 13.828 1.00 0.00 O ATOM 1735 CB PHE B 19 6.061 5.615 10.921 1.00 0.00 C ATOM 1736 CG PHE B 19 5.727 5.059 9.570 1.00 0.00 C ATOM 1737 CD1 PHE B 19 5.341 3.735 9.427 1.00 0.00 C ATOM 1738 CD2 PHE B 19 5.803 5.855 8.441 1.00 0.00 C ATOM 1739 CE1 PHE B 19 5.039 3.218 8.183 1.00 0.00 C ATOM 1740 CE2 PHE B 19 5.504 5.343 7.195 1.00 0.00 C ATOM 1741 CZ PHE B 19 5.121 4.023 7.065 1.00 0.00 C ATOM 0 H PHE B 19 3.089 4.789 12.003 1.00 0.00 H new ATOM 0 HA PHE B 19 5.139 4.006 11.974 1.00 0.00 H new ATOM 0 HB2 PHE B 19 5.986 6.702 10.884 1.00 0.00 H new ATOM 0 HB3 PHE B 19 7.098 5.374 11.156 1.00 0.00 H new ATOM 0 HD1 PHE B 19 5.276 3.101 10.299 1.00 0.00 H new ATOM 0 HD2 PHE B 19 6.100 6.889 8.536 1.00 0.00 H new ATOM 0 HE1 PHE B 19 4.739 2.185 8.085 1.00 0.00 H new ATOM 0 HE2 PHE B 19 5.570 5.975 6.322 1.00 0.00 H new ATOM 0 HZ PHE B 19 4.886 3.621 6.090 1.00 0.00 H new ATOM 1751 N GLN B 20 6.341 4.500 14.072 1.00 0.00 N ATOM 1752 CA GLN B 20 6.968 4.682 15.385 1.00 0.00 C ATOM 1753 C GLN B 20 5.916 4.915 16.473 1.00 0.00 C ATOM 1754 O GLN B 20 5.705 4.057 17.332 1.00 0.00 O ATOM 1755 CB GLN B 20 7.993 5.826 15.353 1.00 0.00 C ATOM 1756 CG GLN B 20 8.826 5.952 16.622 1.00 0.00 C ATOM 1757 CD GLN B 20 9.528 4.658 16.985 1.00 0.00 C ATOM 1758 OE1 GLN B 20 9.002 3.847 17.746 1.00 0.00 O ATOM 1759 NE2 GLN B 20 10.713 4.448 16.437 1.00 0.00 N ATOM 0 H GLN B 20 6.406 3.546 13.718 1.00 0.00 H new ATOM 0 HA GLN B 20 7.500 3.763 15.630 1.00 0.00 H new ATOM 0 HB2 GLN B 20 8.662 5.676 14.506 1.00 0.00 H new ATOM 0 HB3 GLN B 20 7.467 6.765 15.182 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.568 6.740 16.489 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.182 6.256 17.447 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.116 5.145 15.811 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.224 3.589 16.641 1.00 0.00 H new ATOM 1768 N GLY B 21 5.231 6.048 16.412 1.00 0.00 N ATOM 1769 CA GLY B 21 4.208 6.357 17.395 1.00 0.00 C ATOM 1770 C GLY B 21 2.866 5.762 17.014 1.00 0.00 C ATOM 1771 O GLY B 21 1.825 6.398 17.168 1.00 0.00 O ATOM 0 H GLY B 21 5.365 6.763 15.697 1.00 0.00 H new ATOM 0 HA2 GLY B 21 4.512 5.975 18.369 1.00 0.00 H new ATOM 0 HA3 GLY B 21 4.112 7.438 17.493 1.00 0.00 H new ATOM 1775 N MET B 22 2.899 4.532 16.533 1.00 0.00 N ATOM 1776 CA MET B 22 1.708 3.864 16.039 1.00 0.00 C ATOM 1777 C MET B 22 1.331 2.715 16.951 1.00 0.00 C ATOM 1778 O MET B 22 2.122 1.808 17.209 1.00 0.00 O ATOM 1779 CB MET B 22 1.937 3.389 14.597 1.00 0.00 C ATOM 1780 CG MET B 22 3.117 2.438 14.446 1.00 0.00 C ATOM 1781 SD MET B 22 3.715 2.307 12.747 1.00 0.00 S ATOM 1782 CE MET B 22 2.236 1.776 11.894 1.00 0.00 C ATOM 0 H MET B 22 3.748 3.970 16.474 1.00 0.00 H new ATOM 0 HA MET B 22 0.875 4.567 16.035 1.00 0.00 H new ATOM 0 HB2 MET B 22 1.034 2.894 14.239 1.00 0.00 H new ATOM 0 HB3 MET B 22 2.098 4.258 13.959 1.00 0.00 H new ATOM 0 HG2 MET B 22 3.932 2.777 15.086 1.00 0.00 H new ATOM 0 HG3 MET B 22 2.825 1.449 14.799 1.00 0.00 H new ATOM 0 HE1 MET B 22 2.417 1.773 10.819 1.00 0.00 H new ATOM 0 HE2 MET B 22 1.969 0.771 12.220 1.00 0.00 H new ATOM 0 HE3 MET B 22 1.419 2.460 12.122 1.00 0.00 H new ATOM 1792 N THR B 23 0.108 2.767 17.437 1.00 0.00 N ATOM 1793 CA THR B 23 -0.345 1.853 18.455 1.00 0.00 C ATOM 1794 C THR B 23 -1.764 1.370 18.177 1.00 0.00 C ATOM 1795 O THR B 23 -2.628 2.161 17.787 1.00 0.00 O ATOM 1796 CB THR B 23 -0.287 2.547 19.829 1.00 0.00 C ATOM 1797 OG1 THR B 23 1.069 2.867 20.160 1.00 0.00 O ATOM 1798 CG2 THR B 23 -0.881 1.676 20.908 1.00 0.00 C ATOM 0 H THR B 23 -0.595 3.443 17.136 1.00 0.00 H new ATOM 0 HA THR B 23 0.311 0.983 18.451 1.00 0.00 H new ATOM 0 HB THR B 23 -0.874 3.463 19.767 1.00 0.00 H new ATOM 0 HG1 THR B 23 1.097 3.309 21.034 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.825 2.194 21.865 1.00 0.00 H new ATOM 0 HG22 THR B 23 -1.923 1.463 20.671 1.00 0.00 H new ATOM 0 HG23 THR B 23 -0.324 0.741 20.968 1.00 0.00 H new ATOM 1806 N ASP B 24 -1.974 0.061 18.353 1.00 0.00 N ATOM 1807 CA ASP B 24 -3.297 -0.571 18.258 1.00 0.00 C ATOM 1808 C ASP B 24 -3.874 -0.525 16.844 1.00 0.00 C ATOM 1809 O ASP B 24 -3.858 -1.523 16.125 1.00 0.00 O ATOM 1810 CB ASP B 24 -4.281 0.071 19.247 1.00 0.00 C ATOM 1811 CG ASP B 24 -5.706 -0.415 19.058 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -6.029 -1.532 19.516 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -6.510 0.323 18.447 1.00 0.00 O ATOM 0 H ASP B 24 -1.224 -0.597 18.567 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.156 -1.620 18.517 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.960 -0.147 20.265 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -4.253 1.154 19.129 1.00 0.00 H new ATOM 1818 N THR B 25 -4.349 0.645 16.443 1.00 0.00 N ATOM 1819 CA THR B 25 -5.091 0.803 15.201 1.00 0.00 C ATOM 1820 C THR B 25 -4.174 0.716 13.979 1.00 0.00 C ATOM 1821 O THR B 25 -4.638 0.724 12.842 1.00 0.00 O ATOM 1822 CB THR B 25 -5.824 2.155 15.201 1.00 0.00 C ATOM 1823 OG1 THR B 25 -6.310 2.432 16.524 1.00 0.00 O ATOM 1824 CG2 THR B 25 -6.991 2.149 14.225 1.00 0.00 C ATOM 0 H THR B 25 -4.231 1.511 16.969 1.00 0.00 H new ATOM 0 HA THR B 25 -5.813 -0.011 15.138 1.00 0.00 H new ATOM 0 HB THR B 25 -5.121 2.927 14.888 1.00 0.00 H new ATOM 0 HG1 THR B 25 -6.452 1.589 17.003 1.00 0.00 H new ATOM 0 HG21 THR B 25 -7.489 3.118 14.248 1.00 0.00 H new ATOM 0 HG22 THR B 25 -6.622 1.954 13.218 1.00 0.00 H new ATOM 0 HG23 THR B 25 -7.699 1.370 14.509 1.00 0.00 H new ATOM 1832 N ALA B 26 -2.873 0.609 14.230 1.00 0.00 N ATOM 1833 CA ALA B 26 -1.876 0.530 13.166 1.00 0.00 C ATOM 1834 C ALA B 26 -2.194 -0.591 12.176 1.00 0.00 C ATOM 1835 O ALA B 26 -2.005 -0.437 10.970 1.00 0.00 O ATOM 1836 CB ALA B 26 -0.493 0.323 13.763 1.00 0.00 C ATOM 0 H ALA B 26 -2.481 0.575 15.171 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.898 1.472 12.618 1.00 0.00 H new ATOM 0 HB1 ALA B 26 0.244 0.265 12.962 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.251 1.159 14.419 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.479 -0.604 14.336 1.00 0.00 H new ATOM 1842 N ALA B 27 -2.694 -1.708 12.695 1.00 0.00 N ATOM 1843 CA ALA B 27 -3.022 -2.863 11.863 1.00 0.00 C ATOM 1844 C ALA B 27 -4.254 -2.584 11.011 1.00 0.00 C ATOM 1845 O ALA B 27 -4.400 -3.115 9.912 1.00 0.00 O ATOM 1846 CB ALA B 27 -3.241 -4.094 12.729 1.00 0.00 C ATOM 0 H ALA B 27 -2.881 -1.839 13.689 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.182 -3.053 11.194 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -3.485 -4.946 12.095 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.333 -4.309 13.292 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -4.063 -3.910 13.421 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.128 -1.731 11.521 1.00 0.00 N ATOM 1853 CA GLU B 28 -6.350 -1.373 10.822 1.00 0.00 C ATOM 1854 C GLU B 28 -6.057 -0.348 9.731 1.00 0.00 C ATOM 1855 O GLU B 28 -6.559 -0.454 8.614 1.00 0.00 O ATOM 1856 CB GLU B 28 -7.369 -0.797 11.803 1.00 0.00 C ATOM 1857 CG GLU B 28 -8.713 -0.485 11.169 1.00 0.00 C ATOM 1858 CD GLU B 28 -9.614 0.310 12.083 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -9.804 -0.098 13.249 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -10.139 1.354 11.640 1.00 0.00 O ATOM 0 H GLU B 28 -5.011 -1.271 12.424 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.761 -2.273 10.364 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.517 -1.505 12.618 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -6.963 0.114 12.242 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.555 0.072 10.246 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.208 -1.417 10.898 1.00 0.00 H new ATOM 1867 N ASP B 29 -5.229 0.635 10.068 1.00 0.00 N ATOM 1868 CA ASP B 29 -4.901 1.725 9.151 1.00 0.00 C ATOM 1869 C ASP B 29 -4.154 1.212 7.927 1.00 0.00 C ATOM 1870 O ASP B 29 -4.367 1.692 6.812 1.00 0.00 O ATOM 1871 CB ASP B 29 -4.073 2.799 9.863 1.00 0.00 C ATOM 1872 CG ASP B 29 -4.825 3.453 11.009 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -5.980 3.889 10.803 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -4.266 3.532 12.125 1.00 0.00 O ATOM 0 H ASP B 29 -4.769 0.701 10.976 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.839 2.168 8.816 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.155 2.351 10.244 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.780 3.563 9.143 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.280 0.230 8.126 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.559 -0.374 7.012 1.00 0.00 C ATOM 1881 C VAL B 30 -3.495 -1.274 6.210 1.00 0.00 C ATOM 1882 O VAL B 30 -3.375 -1.397 4.991 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.327 -1.178 7.494 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -1.730 -2.424 8.274 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.422 -1.537 6.327 1.00 0.00 C ATOM 0 H VAL B 30 -3.055 -0.162 9.041 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.197 0.432 6.374 1.00 0.00 H new ATOM 0 HB VAL B 30 -0.769 -0.536 8.176 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.835 -2.959 8.593 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.311 -2.133 9.149 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.332 -3.072 7.638 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.436 -2.101 6.692 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.976 -2.143 5.610 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.076 -0.625 5.841 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.444 -1.879 6.909 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.454 -2.725 6.281 1.00 0.00 C ATOM 1897 C ARG B 31 -6.358 -1.881 5.381 1.00 0.00 C ATOM 1898 O ARG B 31 -6.855 -2.353 4.359 1.00 0.00 O ATOM 1899 CB ARG B 31 -6.287 -3.429 7.358 1.00 0.00 C ATOM 1900 CG ARG B 31 -7.279 -4.454 6.826 1.00 0.00 C ATOM 1901 CD ARG B 31 -8.095 -5.048 7.959 1.00 0.00 C ATOM 1902 NE ARG B 31 -8.992 -6.114 7.513 1.00 0.00 N ATOM 1903 CZ ARG B 31 -9.925 -6.669 8.289 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -10.154 -6.192 9.506 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -10.657 -7.675 7.838 1.00 0.00 N ATOM 0 H ARG B 31 -4.538 -1.800 7.922 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.958 -3.479 5.670 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -5.611 -3.925 8.054 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.833 -2.676 7.926 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -7.943 -3.983 6.101 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -6.745 -5.246 6.301 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -7.420 -5.441 8.719 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.681 -4.259 8.431 1.00 0.00 H new ATOM 0 HE ARG B 31 -8.899 -6.452 6.555 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -9.616 -5.398 9.852 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -10.868 -6.620 10.095 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -10.509 -8.030 6.893 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -11.369 -8.096 8.435 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.547 -0.626 5.773 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.378 0.313 5.027 1.00 0.00 C ATOM 1921 C LYS B 32 -6.884 0.452 3.588 1.00 0.00 C ATOM 1922 O LYS B 32 -7.644 0.253 2.640 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.366 1.678 5.724 1.00 0.00 C ATOM 1924 CG LYS B 32 -8.359 2.679 5.159 1.00 0.00 C ATOM 1925 CD LYS B 32 -8.213 4.035 5.832 1.00 0.00 C ATOM 1926 CE LYS B 32 -9.324 4.990 5.427 1.00 0.00 C ATOM 1927 NZ LYS B 32 -10.646 4.574 5.970 1.00 0.00 N ATOM 0 H LYS B 32 -6.129 -0.231 6.616 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.398 -0.070 5.000 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -7.577 1.533 6.784 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -6.363 2.100 5.654 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -8.203 2.784 4.085 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.374 2.308 5.299 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -8.221 3.906 6.914 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -7.248 4.469 5.570 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.086 5.993 5.782 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.379 5.041 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.322 5.359 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.996 3.751 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.545 4.321 6.974 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.605 0.779 3.431 1.00 0.00 N ATOM 1942 CA ILE B 33 -5.020 0.949 2.104 1.00 0.00 C ATOM 1943 C ILE B 33 -4.838 -0.402 1.410 1.00 0.00 C ATOM 1944 O ILE B 33 -4.945 -0.505 0.188 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.663 1.689 2.158 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.666 0.951 3.057 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.864 3.117 2.644 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -1.291 1.589 3.095 1.00 0.00 C ATOM 0 H ILE B 33 -4.955 0.931 4.203 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.718 1.559 1.530 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.248 1.714 1.150 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -3.066 0.910 4.070 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -2.570 -0.078 2.710 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.902 3.629 2.678 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.531 3.643 1.961 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.303 3.103 3.641 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.640 1.012 3.751 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.870 1.606 2.090 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.373 2.609 3.471 1.00 0.00 H new ATOM 1960 N ALA B 34 -4.582 -1.431 2.208 1.00 0.00 N ATOM 1961 CA ALA B 34 -4.400 -2.787 1.702 1.00 0.00 C ATOM 1962 C ALA B 34 -5.672 -3.318 1.043 1.00 0.00 C ATOM 1963 O ALA B 34 -5.611 -4.138 0.128 1.00 0.00 O ATOM 1964 CB ALA B 34 -3.952 -3.713 2.825 1.00 0.00 C ATOM 0 H ALA B 34 -4.495 -1.350 3.221 1.00 0.00 H new ATOM 0 HA ALA B 34 -3.624 -2.757 0.938 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -3.820 -4.722 2.434 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -3.007 -3.356 3.236 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -4.708 -3.725 3.610 1.00 0.00 H new ATOM 1970 N THR B 35 -6.824 -2.859 1.519 1.00 0.00 N ATOM 1971 CA THR B 35 -8.111 -3.326 1.014 1.00 0.00 C ATOM 1972 C THR B 35 -8.217 -3.166 -0.508 1.00 0.00 C ATOM 1973 O THR B 35 -8.787 -4.020 -1.189 1.00 0.00 O ATOM 1974 CB THR B 35 -9.278 -2.576 1.698 1.00 0.00 C ATOM 1975 OG1 THR B 35 -9.203 -2.751 3.119 1.00 0.00 O ATOM 1976 CG2 THR B 35 -10.625 -3.079 1.203 1.00 0.00 C ATOM 0 H THR B 35 -6.893 -2.160 2.258 1.00 0.00 H new ATOM 0 HA THR B 35 -8.179 -4.388 1.252 1.00 0.00 H new ATOM 0 HB THR B 35 -9.189 -1.519 1.446 1.00 0.00 H new ATOM 0 HG1 THR B 35 -8.352 -2.393 3.448 1.00 0.00 H new ATOM 0 HG21 THR B 35 -11.424 -2.532 1.703 1.00 0.00 H new ATOM 0 HG22 THR B 35 -10.698 -2.924 0.126 1.00 0.00 H new ATOM 0 HG23 THR B 35 -10.720 -4.142 1.424 1.00 0.00 H new ATOM 1984 N ALA B 36 -7.628 -2.098 -1.039 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.693 -1.823 -2.473 1.00 0.00 C ATOM 1986 C ALA B 36 -6.985 -2.912 -3.282 1.00 0.00 C ATOM 1987 O ALA B 36 -7.474 -3.347 -4.329 1.00 0.00 O ATOM 1988 CB ALA B 36 -7.087 -0.459 -2.777 1.00 0.00 C ATOM 0 H ALA B 36 -7.102 -1.410 -0.500 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.743 -1.818 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.142 -0.267 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.640 0.312 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -6.045 -0.445 -2.459 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.834 -3.354 -2.793 1.00 0.00 N ATOM 1995 CA LEU B 37 -5.064 -4.379 -3.471 1.00 0.00 C ATOM 1996 C LEU B 37 -5.612 -5.772 -3.157 1.00 0.00 C ATOM 1997 O LEU B 37 -5.397 -6.722 -3.910 1.00 0.00 O ATOM 1998 CB LEU B 37 -3.575 -4.255 -3.119 1.00 0.00 C ATOM 1999 CG LEU B 37 -3.230 -4.238 -1.628 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -3.041 -5.652 -1.095 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.984 -3.399 -1.388 1.00 0.00 C ATOM 0 H LEU B 37 -5.415 -3.015 -1.927 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.160 -4.232 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.043 -5.085 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.192 -3.339 -3.569 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.062 -3.788 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.797 -5.611 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.961 -6.219 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -2.229 -6.139 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.748 -3.394 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.147 -3.823 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.163 -2.378 -1.725 1.00 0.00 H new ATOM 2013 N LEU B 38 -6.306 -5.893 -2.035 1.00 0.00 N ATOM 2014 CA LEU B 38 -6.970 -7.140 -1.684 1.00 0.00 C ATOM 2015 C LEU B 38 -8.189 -7.337 -2.584 1.00 0.00 C ATOM 2016 O LEU B 38 -8.480 -8.453 -3.016 1.00 0.00 O ATOM 2017 CB LEU B 38 -7.376 -7.114 -0.200 1.00 0.00 C ATOM 2018 CG LEU B 38 -7.823 -8.452 0.417 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -9.253 -8.803 0.025 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -6.872 -9.570 0.014 1.00 0.00 C ATOM 0 H LEU B 38 -6.424 -5.144 -1.353 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.289 -7.978 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -6.531 -6.738 0.378 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.188 -6.396 -0.082 1.00 0.00 H new ATOM 0 HG LEU B 38 -7.796 -8.339 1.501 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -9.532 -9.754 0.480 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -9.928 -8.022 0.374 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -9.323 -8.885 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.204 -10.508 0.459 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -6.863 -9.667 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -5.867 -9.337 0.365 1.00 0.00 H new ATOM 2032 N LYS B 39 -8.877 -6.233 -2.871 1.00 0.00 N ATOM 2033 CA LYS B 39 -10.089 -6.254 -3.684 1.00 0.00 C ATOM 2034 C LYS B 39 -9.811 -6.815 -5.080 1.00 0.00 C ATOM 2035 O LYS B 39 -10.503 -7.721 -5.542 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.661 -4.837 -3.795 1.00 0.00 C ATOM 2037 CG LYS B 39 -12.080 -4.789 -4.333 1.00 0.00 C ATOM 2038 CD LYS B 39 -13.047 -5.502 -3.404 1.00 0.00 C ATOM 2039 CE LYS B 39 -14.480 -5.391 -3.895 1.00 0.00 C ATOM 2040 NZ LYS B 39 -15.426 -6.113 -3.005 1.00 0.00 N ATOM 0 H LYS B 39 -8.610 -5.303 -2.547 1.00 0.00 H new ATOM 0 HA LYS B 39 -10.815 -6.905 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -10.639 -4.369 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -10.016 -4.245 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -12.389 -3.751 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -12.113 -5.251 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -12.769 -6.553 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -12.971 -5.077 -2.403 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -14.764 -4.340 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -14.551 -5.795 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -16.394 -6.014 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -15.170 -7.120 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -15.377 -5.711 -2.047 1.00 0.00 H new ATOM 2054 N THR B 40 -8.799 -6.275 -5.743 1.00 0.00 N ATOM 2055 CA THR B 40 -8.418 -6.749 -7.069 1.00 0.00 C ATOM 2056 C THR B 40 -6.990 -6.318 -7.409 1.00 0.00 C ATOM 2057 O THR B 40 -6.246 -7.075 -8.031 1.00 0.00 O ATOM 2058 CB THR B 40 -9.410 -6.264 -8.165 1.00 0.00 C ATOM 2059 OG1 THR B 40 -9.060 -6.815 -9.444 1.00 0.00 O ATOM 2060 CG2 THR B 40 -9.439 -4.746 -8.260 1.00 0.00 C ATOM 0 H THR B 40 -8.227 -5.510 -5.387 1.00 0.00 H new ATOM 0 HA THR B 40 -8.459 -7.838 -7.048 1.00 0.00 H new ATOM 0 HB THR B 40 -10.402 -6.612 -7.879 1.00 0.00 H new ATOM 0 HG1 THR B 40 -9.695 -6.500 -10.121 1.00 0.00 H new ATOM 0 HG21 THR B 40 -10.143 -4.443 -9.036 1.00 0.00 H new ATOM 0 HG22 THR B 40 -9.751 -4.327 -7.303 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.444 -4.378 -8.509 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.621 -5.099 -6.985 1.00 0.00 N ATOM 2069 CA ALA B 41 -5.267 -4.556 -7.164 1.00 0.00 C ATOM 2070 C ALA B 41 -4.936 -4.258 -8.627 1.00 0.00 C ATOM 2071 O ALA B 41 -4.728 -3.104 -8.998 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.217 -5.491 -6.575 1.00 0.00 C ATOM 0 H ALA B 41 -7.257 -4.461 -6.507 1.00 0.00 H new ATOM 0 HA ALA B 41 -5.248 -3.609 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.225 -5.063 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.402 -5.620 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.272 -6.459 -7.072 1.00 0.00 H new ATOM 2078 N ILE B 42 -4.892 -5.297 -9.444 1.00 0.00 N ATOM 2079 CA ILE B 42 -4.389 -5.189 -10.807 1.00 0.00 C ATOM 2080 C ILE B 42 -5.544 -5.276 -11.813 1.00 0.00 C ATOM 2081 O ILE B 42 -6.691 -5.518 -11.426 1.00 0.00 O ATOM 2082 CB ILE B 42 -3.341 -6.303 -11.073 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -2.402 -6.461 -9.867 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -2.522 -6.007 -12.319 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -1.662 -5.193 -9.481 1.00 0.00 C ATOM 0 H ILE B 42 -5.201 -6.234 -9.186 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.906 -4.220 -10.931 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.887 -7.233 -11.230 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.984 -6.803 -9.011 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.673 -7.240 -10.089 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.798 -6.806 -12.477 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.184 -5.942 -13.182 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.996 -5.061 -12.192 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.022 -5.393 -8.622 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.050 -4.859 -10.319 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.382 -4.416 -9.225 1.00 0.00 H new ATOM 2097 N GLU B 43 -5.240 -5.078 -13.092 1.00 0.00 N ATOM 2098 CA GLU B 43 -6.254 -5.055 -14.133 1.00 0.00 C ATOM 2099 C GLU B 43 -6.246 -6.359 -14.926 1.00 0.00 C ATOM 2100 O GLU B 43 -5.254 -7.092 -14.932 1.00 0.00 O ATOM 2101 CB GLU B 43 -6.032 -3.864 -15.080 1.00 0.00 C ATOM 2102 CG GLU B 43 -4.635 -3.802 -15.691 1.00 0.00 C ATOM 2103 CD GLU B 43 -3.676 -2.913 -14.915 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -3.224 -3.312 -13.822 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -3.363 -1.803 -15.397 1.00 0.00 O ATOM 0 H GLU B 43 -4.290 -4.930 -13.431 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.226 -4.945 -13.652 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.766 -3.912 -15.884 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.218 -2.940 -14.533 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.224 -4.810 -15.742 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.710 -3.436 -16.715 1.00 0.00 H new ATOM 2112 N ILE B 44 -7.365 -6.646 -15.583 1.00 0.00 N ATOM 2113 CA ILE B 44 -7.513 -7.857 -16.359 1.00 0.00 C ATOM 2114 C ILE B 44 -7.734 -7.544 -17.835 1.00 0.00 C ATOM 2115 O ILE B 44 -8.379 -6.556 -18.183 1.00 0.00 O ATOM 2116 CB ILE B 44 -8.679 -8.726 -15.826 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -9.929 -7.887 -15.512 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -8.249 -9.504 -14.594 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -10.835 -7.646 -16.703 1.00 0.00 C ATOM 0 H ILE B 44 -8.188 -6.044 -15.588 1.00 0.00 H new ATOM 0 HA ILE B 44 -6.585 -8.419 -16.257 1.00 0.00 H new ATOM 0 HB ILE B 44 -8.942 -9.427 -16.618 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -10.501 -8.387 -14.731 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -9.614 -6.924 -15.109 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -9.083 -10.108 -14.236 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -7.412 -10.155 -14.848 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -7.943 -8.808 -13.813 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -11.691 -7.047 -16.393 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -10.283 -7.116 -17.479 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -11.183 -8.602 -17.094 1.00 0.00 H new ATOM 2131 N VAL B 45 -7.168 -8.374 -18.697 1.00 0.00 N ATOM 2132 CA VAL B 45 -7.405 -8.269 -20.126 1.00 0.00 C ATOM 2133 C VAL B 45 -8.185 -9.488 -20.615 1.00 0.00 C ATOM 2134 O VAL B 45 -7.804 -10.631 -20.347 1.00 0.00 O ATOM 2135 CB VAL B 45 -6.091 -8.120 -20.921 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -5.485 -6.742 -20.697 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -5.095 -9.201 -20.536 1.00 0.00 C ATOM 0 H VAL B 45 -6.539 -9.131 -18.429 1.00 0.00 H new ATOM 0 HA VAL B 45 -7.993 -7.367 -20.299 1.00 0.00 H new ATOM 0 HB VAL B 45 -6.325 -8.233 -21.980 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -4.559 -6.655 -21.265 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -6.187 -5.977 -21.029 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -5.274 -6.605 -19.636 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -4.178 -9.072 -21.111 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -4.870 -9.126 -19.472 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -5.522 -10.181 -20.748 1.00 0.00 H new ATOM 2147 N SER B 46 -9.281 -9.237 -21.317 1.00 0.00 N ATOM 2148 CA SER B 46 -10.201 -10.298 -21.706 1.00 0.00 C ATOM 2149 C SER B 46 -9.826 -10.906 -23.057 1.00 0.00 C ATOM 2150 O SER B 46 -9.472 -10.194 -24.000 1.00 0.00 O ATOM 2151 CB SER B 46 -11.628 -9.752 -21.753 1.00 0.00 C ATOM 2152 OG SER B 46 -11.968 -9.114 -20.531 1.00 0.00 O ATOM 0 H SER B 46 -9.556 -8.306 -21.630 1.00 0.00 H new ATOM 0 HA SER B 46 -10.136 -11.090 -20.960 1.00 0.00 H new ATOM 0 HB2 SER B 46 -11.724 -9.044 -22.576 1.00 0.00 H new ATOM 0 HB3 SER B 46 -12.326 -10.565 -21.950 1.00 0.00 H new ATOM 0 HG SER B 46 -12.884 -8.771 -20.585 1.00 0.00 H new ATOM 2158 N GLU B 47 -9.918 -12.226 -23.142 1.00 0.00 N ATOM 2159 CA GLU B 47 -9.590 -12.951 -24.363 1.00 0.00 C ATOM 2160 C GLU B 47 -10.826 -13.213 -25.206 1.00 0.00 C ATOM 2161 O GLU B 47 -11.578 -14.137 -24.906 1.00 0.00 O ATOM 2162 CB GLU B 47 -8.963 -14.293 -24.021 1.00 0.00 C ATOM 2163 CG GLU B 47 -7.595 -14.200 -23.377 1.00 0.00 C ATOM 2164 CD GLU B 47 -6.989 -15.563 -23.132 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -7.367 -16.217 -22.136 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -6.133 -15.989 -23.928 1.00 0.00 O ATOM 0 H GLU B 47 -10.220 -12.822 -22.372 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.894 -12.331 -24.927 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.631 -14.832 -23.349 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -8.882 -14.885 -24.933 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -6.932 -13.619 -24.018 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -7.675 -13.664 -22.431 1.00 0.00 H new ATOM 2173 N GLU B 48 -11.007 -12.421 -26.268 1.00 0.00 N ATOM 2174 CA GLU B 48 -12.117 -12.595 -27.215 1.00 0.00 C ATOM 2175 C GLU B 48 -13.472 -12.605 -26.502 1.00 0.00 C ATOM 2176 O GLU B 48 -14.128 -11.571 -26.372 1.00 0.00 O ATOM 2177 CB GLU B 48 -11.925 -13.886 -28.029 1.00 0.00 C ATOM 2178 CG GLU B 48 -13.005 -14.144 -29.074 1.00 0.00 C ATOM 2179 CD GLU B 48 -13.058 -13.079 -30.150 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -12.174 -13.077 -31.033 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -13.993 -12.251 -30.128 1.00 0.00 O ATOM 0 H GLU B 48 -10.390 -11.642 -26.496 1.00 0.00 H new ATOM 0 HA GLU B 48 -12.111 -11.743 -27.895 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -10.957 -13.844 -28.529 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -11.893 -14.732 -27.342 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -12.827 -15.114 -29.539 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -13.975 -14.201 -28.579 1.00 0.00 H new ATOM 2188 N ASP B 49 -13.867 -13.774 -26.023 1.00 0.00 N ATOM 2189 CA ASP B 49 -15.136 -13.943 -25.329 1.00 0.00 C ATOM 2190 C ASP B 49 -15.009 -15.035 -24.266 1.00 0.00 C ATOM 2191 O ASP B 49 -15.992 -15.454 -23.650 1.00 0.00 O ATOM 2192 CB ASP B 49 -16.229 -14.299 -26.337 1.00 0.00 C ATOM 2193 CG ASP B 49 -17.625 -14.215 -25.752 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -18.047 -13.105 -25.357 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -18.302 -15.262 -25.674 1.00 0.00 O ATOM 0 H ASP B 49 -13.319 -14.631 -26.103 1.00 0.00 H new ATOM 0 HA ASP B 49 -15.405 -13.010 -24.834 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -16.159 -13.628 -27.193 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -16.057 -15.309 -26.709 1.00 0.00 H new ATOM 2200 N GLY B 50 -13.781 -15.468 -24.036 1.00 0.00 N ATOM 2201 CA GLY B 50 -13.530 -16.547 -23.104 1.00 0.00 C ATOM 2202 C GLY B 50 -13.319 -16.048 -21.694 1.00 0.00 C ATOM 2203 O GLY B 50 -14.283 -15.840 -20.950 1.00 0.00 O ATOM 0 H GLY B 50 -12.946 -15.088 -24.482 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -14.371 -17.241 -23.120 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -12.650 -17.105 -23.425 1.00 0.00 H new ATOM 2207 N GLY B 51 -12.066 -15.840 -21.325 1.00 0.00 N ATOM 2208 CA GLY B 51 -11.761 -15.386 -19.989 1.00 0.00 C ATOM 2209 C GLY B 51 -10.901 -14.147 -19.997 1.00 0.00 C ATOM 2210 O GLY B 51 -10.893 -13.396 -20.968 1.00 0.00 O ATOM 0 H GLY B 51 -11.255 -15.978 -21.928 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -12.689 -15.180 -19.455 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -11.249 -16.179 -19.444 1.00 0.00 H new ATOM 2214 N ALA B 52 -10.170 -13.940 -18.921 1.00 0.00 N ATOM 2215 CA ALA B 52 -9.287 -12.797 -18.803 1.00 0.00 C ATOM 2216 C ALA B 52 -8.046 -13.167 -18.007 1.00 0.00 C ATOM 2217 O ALA B 52 -8.065 -14.107 -17.208 1.00 0.00 O ATOM 2218 CB ALA B 52 -10.013 -11.628 -18.152 1.00 0.00 C ATOM 0 H ALA B 52 -10.170 -14.555 -18.108 1.00 0.00 H new ATOM 0 HA ALA B 52 -8.977 -12.493 -19.803 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -9.335 -10.778 -18.071 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -10.873 -11.349 -18.761 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -10.351 -11.918 -17.157 1.00 0.00 H new ATOM 2224 N HIS B 53 -6.966 -12.442 -18.237 1.00 0.00 N ATOM 2225 CA HIS B 53 -5.729 -12.669 -17.504 1.00 0.00 C ATOM 2226 C HIS B 53 -5.419 -11.482 -16.609 1.00 0.00 C ATOM 2227 O HIS B 53 -5.342 -10.345 -17.081 1.00 0.00 O ATOM 2228 CB HIS B 53 -4.550 -12.908 -18.452 1.00 0.00 C ATOM 2229 CG HIS B 53 -4.643 -14.190 -19.219 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -4.220 -15.402 -18.718 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -5.125 -14.446 -20.454 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -4.442 -16.344 -19.611 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -4.993 -15.794 -20.675 1.00 0.00 N ATOM 0 H HIS B 53 -6.918 -11.691 -18.925 1.00 0.00 H new ATOM 0 HA HIS B 53 -5.871 -13.562 -16.895 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -4.487 -12.078 -19.156 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -3.625 -12.907 -17.875 1.00 0.00 H new ATOM 0 HD1 HIS B 53 -3.801 -15.547 -17.800 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -5.538 -13.723 -21.141 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -4.211 -17.392 -19.492 1.00 0.00 H new ATOM 2242 N ASN B 54 -5.273 -11.741 -15.321 1.00 0.00 N ATOM 2243 CA ASN B 54 -4.814 -10.721 -14.390 1.00 0.00 C ATOM 2244 C ASN B 54 -3.299 -10.808 -14.286 1.00 0.00 C ATOM 2245 O ASN B 54 -2.762 -11.807 -13.807 1.00 0.00 O ATOM 2246 CB ASN B 54 -5.461 -10.916 -13.012 1.00 0.00 C ATOM 2247 CG ASN B 54 -5.136 -9.805 -12.023 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -4.072 -9.191 -12.067 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -6.063 -9.543 -11.113 1.00 0.00 N ATOM 0 H ASN B 54 -5.465 -12.648 -14.895 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.103 -9.735 -14.754 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -6.542 -10.978 -13.133 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -5.132 -11.868 -12.597 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -5.905 -8.812 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -6.935 -10.073 -11.106 1.00 0.00 H new ATOM 2256 N GLN B 55 -2.614 -9.778 -14.751 1.00 0.00 N ATOM 2257 CA GLN B 55 -1.161 -9.783 -14.758 1.00 0.00 C ATOM 2258 C GLN B 55 -0.637 -8.737 -13.792 1.00 0.00 C ATOM 2259 O GLN B 55 -0.615 -7.548 -14.104 1.00 0.00 O ATOM 2260 CB GLN B 55 -0.615 -9.553 -16.176 1.00 0.00 C ATOM 2261 CG GLN B 55 -1.288 -8.413 -16.929 1.00 0.00 C ATOM 2262 CD GLN B 55 -0.653 -8.156 -18.281 1.00 0.00 C ATOM 2263 OE1 GLN B 55 0.267 -7.347 -18.407 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -1.129 -8.850 -19.303 1.00 0.00 N ATOM 0 H GLN B 55 -3.038 -8.930 -15.127 1.00 0.00 H new ATOM 0 HA GLN B 55 -0.813 -10.763 -14.431 1.00 0.00 H new ATOM 0 HB2 GLN B 55 0.454 -9.350 -16.113 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -0.731 -10.472 -16.751 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -2.344 -8.646 -17.066 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -1.237 -7.505 -16.328 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -1.892 -9.511 -19.159 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -0.732 -8.724 -20.234 1.00 0.00 H new ATOM 2273 N CYS B 56 -0.226 -9.198 -12.611 1.00 0.00 N ATOM 2274 CA CYS B 56 0.140 -8.308 -11.521 1.00 0.00 C ATOM 2275 C CYS B 56 1.150 -7.259 -11.967 1.00 0.00 C ATOM 2276 O CYS B 56 2.236 -7.574 -12.461 1.00 0.00 O ATOM 2277 CB CYS B 56 0.667 -9.100 -10.322 1.00 0.00 C ATOM 2278 SG CYS B 56 2.056 -10.189 -10.696 1.00 0.00 S ATOM 0 H CYS B 56 -0.139 -10.190 -12.389 1.00 0.00 H new ATOM 0 HA CYS B 56 -0.763 -7.781 -11.211 1.00 0.00 H new ATOM 0 HB2 CYS B 56 0.971 -8.399 -9.545 1.00 0.00 H new ATOM 0 HB3 CYS B 56 -0.147 -9.698 -9.912 1.00 0.00 H new ATOM 0 HG CYS B 56 1.620 -11.258 -11.293 1.00 0.00 H new ATOM 2284 N LYS B 57 0.766 -6.009 -11.761 1.00 0.00 N ATOM 2285 CA LYS B 57 1.510 -4.841 -12.210 1.00 0.00 C ATOM 2286 C LYS B 57 2.679 -4.581 -11.260 1.00 0.00 C ATOM 2287 O LYS B 57 2.958 -3.445 -10.866 1.00 0.00 O ATOM 2288 CB LYS B 57 0.519 -3.672 -12.241 1.00 0.00 C ATOM 2289 CG LYS B 57 0.991 -2.408 -12.940 1.00 0.00 C ATOM 2290 CD LYS B 57 -0.202 -1.558 -13.369 1.00 0.00 C ATOM 2291 CE LYS B 57 -1.172 -1.315 -12.218 1.00 0.00 C ATOM 2292 NZ LYS B 57 -2.509 -0.871 -12.700 1.00 0.00 N ATOM 0 H LYS B 57 -0.093 -5.772 -11.265 1.00 0.00 H new ATOM 0 HA LYS B 57 1.938 -4.983 -13.202 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -0.395 -4.011 -12.728 1.00 0.00 H new ATOM 0 HB3 LYS B 57 0.258 -3.418 -11.214 1.00 0.00 H new ATOM 0 HG2 LYS B 57 1.633 -1.834 -12.272 1.00 0.00 H new ATOM 0 HG3 LYS B 57 1.591 -2.670 -13.812 1.00 0.00 H new ATOM 0 HD2 LYS B 57 0.153 -0.601 -13.752 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -0.726 -2.054 -14.186 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -1.282 -2.231 -11.637 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -0.759 -0.560 -11.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -2.978 -0.312 -11.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -2.394 -0.287 -13.553 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -3.090 -1.703 -12.926 1.00 0.00 H new ATOM 2306 N LEU B 58 3.372 -5.659 -10.922 1.00 0.00 N ATOM 2307 CA LEU B 58 4.405 -5.624 -9.907 1.00 0.00 C ATOM 2308 C LEU B 58 5.378 -6.787 -10.085 1.00 0.00 C ATOM 2309 O LEU B 58 6.560 -6.589 -10.353 1.00 0.00 O ATOM 2310 CB LEU B 58 3.755 -5.711 -8.527 1.00 0.00 C ATOM 2311 CG LEU B 58 4.580 -5.142 -7.382 1.00 0.00 C ATOM 2312 CD1 LEU B 58 4.652 -3.631 -7.495 1.00 0.00 C ATOM 2313 CD2 LEU B 58 3.981 -5.559 -6.053 1.00 0.00 C ATOM 0 H LEU B 58 3.232 -6.577 -11.344 1.00 0.00 H new ATOM 0 HA LEU B 58 4.960 -4.691 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU B 58 2.800 -5.187 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU B 58 3.538 -6.757 -8.311 1.00 0.00 H new ATOM 0 HG LEU B 58 5.594 -5.538 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU B 58 5.244 -3.232 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU B 58 5.118 -3.359 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU B 58 3.646 -3.215 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU B 58 4.578 -5.147 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU B 58 2.960 -5.183 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.973 -6.647 -5.983 1.00 0.00 H new ATOM 2325 N CYS B 59 4.859 -8.002 -9.943 1.00 0.00 N ATOM 2326 CA CYS B 59 5.687 -9.203 -9.957 1.00 0.00 C ATOM 2327 C CYS B 59 5.846 -9.760 -11.373 1.00 0.00 C ATOM 2328 O CYS B 59 6.916 -10.241 -11.739 1.00 0.00 O ATOM 2329 CB CYS B 59 5.075 -10.259 -9.029 1.00 0.00 C ATOM 2330 SG CYS B 59 6.006 -11.802 -8.911 1.00 0.00 S ATOM 0 H CYS B 59 3.863 -8.182 -9.816 1.00 0.00 H new ATOM 0 HA CYS B 59 6.682 -8.938 -9.599 1.00 0.00 H new ATOM 0 HB2 CYS B 59 4.980 -9.832 -8.031 1.00 0.00 H new ATOM 0 HB3 CYS B 59 4.067 -10.486 -9.376 1.00 0.00 H new ATOM 0 HG CYS B 59 5.778 -12.359 -7.759 1.00 0.00 H new ATOM 2336 N GLY B 60 4.783 -9.698 -12.167 1.00 0.00 N ATOM 2337 CA GLY B 60 4.844 -10.209 -13.528 1.00 0.00 C ATOM 2338 C GLY B 60 4.148 -11.549 -13.679 1.00 0.00 C ATOM 2339 O GLY B 60 4.099 -12.114 -14.770 1.00 0.00 O ATOM 0 H GLY B 60 3.882 -9.305 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY B 60 4.386 -9.487 -14.204 1.00 0.00 H new ATOM 0 HA3 GLY B 60 5.887 -10.309 -13.828 1.00 0.00 H new ATOM 2343 N ALA B 61 3.615 -12.065 -12.580 1.00 0.00 N ATOM 2344 CA ALA B 61 2.877 -13.325 -12.601 1.00 0.00 C ATOM 2345 C ALA B 61 1.420 -13.079 -12.981 1.00 0.00 C ATOM 2346 O ALA B 61 0.864 -12.021 -12.679 1.00 0.00 O ATOM 2347 CB ALA B 61 2.973 -14.018 -11.248 1.00 0.00 C ATOM 0 H ALA B 61 3.679 -11.631 -11.659 1.00 0.00 H new ATOM 0 HA ALA B 61 3.321 -13.979 -13.352 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.418 -14.956 -11.279 1.00 0.00 H new ATOM 0 HB2 ALA B 61 4.018 -14.223 -11.017 1.00 0.00 H new ATOM 0 HB3 ALA B 61 2.551 -13.372 -10.478 1.00 0.00 H new ATOM 2353 N SER B 62 0.812 -14.045 -13.648 1.00 0.00 N ATOM 2354 CA SER B 62 -0.558 -13.902 -14.109 1.00 0.00 C ATOM 2355 C SER B 62 -1.475 -14.919 -13.435 1.00 0.00 C ATOM 2356 O SER B 62 -1.063 -16.042 -13.136 1.00 0.00 O ATOM 2357 CB SER B 62 -0.615 -14.071 -15.628 1.00 0.00 C ATOM 2358 OG SER B 62 0.292 -13.190 -16.271 1.00 0.00 O ATOM 0 H SER B 62 1.246 -14.938 -13.883 1.00 0.00 H new ATOM 0 HA SER B 62 -0.906 -12.904 -13.842 1.00 0.00 H new ATOM 0 HB2 SER B 62 -0.376 -15.101 -15.892 1.00 0.00 H new ATOM 0 HB3 SER B 62 -1.628 -13.878 -15.981 1.00 0.00 H new ATOM 0 HG SER B 62 0.239 -13.317 -17.241 1.00 0.00 H new ATOM 2364 N VAL B 63 -2.715 -14.512 -13.194 1.00 0.00 N ATOM 2365 CA VAL B 63 -3.722 -15.392 -12.613 1.00 0.00 C ATOM 2366 C VAL B 63 -5.014 -15.328 -13.439 1.00 0.00 C ATOM 2367 O VAL B 63 -5.425 -14.247 -13.879 1.00 0.00 O ATOM 2368 CB VAL B 63 -4.004 -15.029 -11.127 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -4.501 -13.599 -10.989 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -4.996 -15.994 -10.496 1.00 0.00 C ATOM 0 H VAL B 63 -3.050 -13.569 -13.394 1.00 0.00 H new ATOM 0 HA VAL B 63 -3.336 -16.411 -12.635 1.00 0.00 H new ATOM 0 HB VAL B 63 -3.057 -15.115 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -4.688 -13.379 -9.938 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -3.747 -12.913 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -5.425 -13.479 -11.555 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -5.170 -15.710 -9.458 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -5.937 -15.958 -11.044 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -4.593 -17.006 -10.533 1.00 0.00 H new ATOM 2380 N PRO B 64 -5.635 -16.490 -13.711 1.00 0.00 N ATOM 2381 CA PRO B 64 -6.879 -16.567 -14.484 1.00 0.00 C ATOM 2382 C PRO B 64 -8.045 -15.849 -13.811 1.00 0.00 C ATOM 2383 O PRO B 64 -8.215 -15.905 -12.590 1.00 0.00 O ATOM 2384 CB PRO B 64 -7.166 -18.070 -14.576 1.00 0.00 C ATOM 2385 CG PRO B 64 -6.384 -18.682 -13.468 1.00 0.00 C ATOM 2386 CD PRO B 64 -5.164 -17.823 -13.303 1.00 0.00 C ATOM 0 HA PRO B 64 -6.769 -16.079 -15.453 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.231 -18.275 -14.467 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -6.861 -18.471 -15.542 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -6.968 -18.712 -12.548 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.109 -19.710 -13.705 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -4.805 -17.826 -12.274 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -4.341 -18.168 -13.928 1.00 0.00 H new ATOM 2394 N TRP B 65 -8.837 -15.174 -14.631 1.00 0.00 N ATOM 2395 CA TRP B 65 -10.020 -14.451 -14.180 1.00 0.00 C ATOM 2396 C TRP B 65 -11.006 -15.376 -13.463 1.00 0.00 C ATOM 2397 O TRP B 65 -11.109 -16.562 -13.793 1.00 0.00 O ATOM 2398 CB TRP B 65 -10.687 -13.798 -15.397 1.00 0.00 C ATOM 2399 CG TRP B 65 -11.850 -12.907 -15.077 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -11.883 -11.900 -14.161 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -13.140 -12.926 -15.699 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -13.122 -11.306 -14.156 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -13.909 -11.912 -15.098 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -13.719 -13.698 -16.709 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -15.229 -11.659 -15.463 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -15.029 -13.446 -17.074 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -15.769 -12.430 -16.454 1.00 0.00 C ATOM 0 H TRP B 65 -8.677 -15.111 -15.636 1.00 0.00 H new ATOM 0 HA TRP B 65 -9.717 -13.688 -13.463 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -9.939 -13.215 -15.934 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -11.025 -14.584 -16.073 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -11.056 -11.610 -13.530 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -13.409 -10.538 -13.549 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -13.153 -14.478 -17.196 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -15.804 -10.883 -14.981 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -15.489 -14.041 -17.849 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -16.788 -12.253 -16.766 1.00 0.00 H new ATOM 2418 N LEU B 66 -11.692 -14.815 -12.461 1.00 0.00 N ATOM 2419 CA LEU B 66 -12.755 -15.495 -11.713 1.00 0.00 C ATOM 2420 C LEU B 66 -12.212 -16.407 -10.615 1.00 0.00 C ATOM 2421 O LEU B 66 -12.931 -16.724 -9.670 1.00 0.00 O ATOM 2422 CB LEU B 66 -13.691 -16.289 -12.636 1.00 0.00 C ATOM 2423 CG LEU B 66 -14.566 -15.444 -13.561 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -15.381 -16.336 -14.482 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -15.485 -14.539 -12.754 1.00 0.00 C ATOM 0 H LEU B 66 -11.522 -13.861 -12.142 1.00 0.00 H new ATOM 0 HA LEU B 66 -13.329 -14.701 -11.235 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -13.088 -16.961 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -14.339 -16.913 -12.020 1.00 0.00 H new ATOM 0 HG LEU B 66 -13.914 -14.818 -14.169 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -15.999 -15.718 -15.134 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -14.709 -16.944 -15.088 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -16.021 -16.987 -13.886 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -16.099 -13.946 -13.432 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -16.129 -15.147 -12.119 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -14.886 -13.874 -12.132 1.00 0.00 H new ATOM 2437 N GLN B 67 -10.957 -16.816 -10.716 1.00 0.00 N ATOM 2438 CA GLN B 67 -10.401 -17.741 -9.738 1.00 0.00 C ATOM 2439 C GLN B 67 -9.498 -17.027 -8.740 1.00 0.00 C ATOM 2440 O GLN B 67 -8.305 -16.849 -8.988 1.00 0.00 O ATOM 2441 CB GLN B 67 -9.632 -18.869 -10.425 1.00 0.00 C ATOM 2442 CG GLN B 67 -9.112 -19.920 -9.453 1.00 0.00 C ATOM 2443 CD GLN B 67 -8.420 -21.077 -10.143 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -8.425 -22.206 -9.645 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -7.814 -20.806 -11.287 1.00 0.00 N ATOM 0 H GLN B 67 -10.312 -16.529 -11.452 1.00 0.00 H new ATOM 0 HA GLN B 67 -11.240 -18.171 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -10.282 -19.350 -11.156 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -8.792 -18.445 -10.975 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -8.416 -19.451 -8.758 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -9.944 -20.302 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -7.835 -19.858 -11.663 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -7.326 -21.545 -11.793 1.00 0.00 H new ATOM 2454 N THR B 68 -10.094 -16.602 -7.627 1.00 0.00 N ATOM 2455 CA THR B 68 -9.370 -16.008 -6.505 1.00 0.00 C ATOM 2456 C THR B 68 -8.680 -14.690 -6.884 1.00 0.00 C ATOM 2457 O THR B 68 -9.167 -13.609 -6.552 1.00 0.00 O ATOM 2458 CB THR B 68 -8.334 -16.998 -5.928 1.00 0.00 C ATOM 2459 OG1 THR B 68 -8.957 -18.263 -5.686 1.00 0.00 O ATOM 2460 CG2 THR B 68 -7.743 -16.477 -4.627 1.00 0.00 C ATOM 0 H THR B 68 -11.101 -16.661 -7.478 1.00 0.00 H new ATOM 0 HA THR B 68 -10.114 -15.783 -5.741 1.00 0.00 H new ATOM 0 HB THR B 68 -7.531 -17.109 -6.657 1.00 0.00 H new ATOM 0 HG1 THR B 68 -8.296 -18.889 -5.322 1.00 0.00 H new ATOM 0 HG21 THR B 68 -7.017 -17.194 -4.244 1.00 0.00 H new ATOM 0 HG22 THR B 68 -7.249 -15.523 -4.808 1.00 0.00 H new ATOM 0 HG23 THR B 68 -8.539 -16.340 -3.895 1.00 0.00 H new ATOM 2468 N GLY B 69 -7.554 -14.785 -7.580 1.00 0.00 N ATOM 2469 CA GLY B 69 -6.796 -13.606 -7.948 1.00 0.00 C ATOM 2470 C GLY B 69 -5.770 -13.225 -6.896 1.00 0.00 C ATOM 2471 O GLY B 69 -4.928 -12.359 -7.122 1.00 0.00 O ATOM 0 H GLY B 69 -7.150 -15.666 -7.898 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -6.290 -13.784 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -7.480 -12.772 -8.103 1.00 0.00 H new ATOM 2543 N HIS B 74 4.194 -15.264 -6.022 1.00 0.00 N ATOM 2544 CA HIS B 74 5.438 -15.549 -6.740 1.00 0.00 C ATOM 2545 C HIS B 74 6.591 -14.703 -6.195 1.00 0.00 C ATOM 2546 O HIS B 74 7.762 -14.958 -6.482 1.00 0.00 O ATOM 2547 CB HIS B 74 5.258 -15.305 -8.244 1.00 0.00 C ATOM 2548 CG HIS B 74 6.348 -15.897 -9.088 1.00 0.00 C ATOM 2549 ND1 HIS B 74 7.022 -15.194 -10.065 1.00 0.00 N ATOM 2550 CD2 HIS B 74 6.873 -17.147 -9.103 1.00 0.00 C ATOM 2551 CE1 HIS B 74 7.910 -15.982 -10.639 1.00 0.00 C ATOM 2552 NE2 HIS B 74 7.838 -17.170 -10.074 1.00 0.00 N ATOM 0 HA HIS B 74 5.685 -16.599 -6.585 1.00 0.00 H new ATOM 0 HB2 HIS B 74 4.301 -15.722 -8.558 1.00 0.00 H new ATOM 0 HB3 HIS B 74 5.213 -14.231 -8.426 1.00 0.00 H new ATOM 0 HD2 HIS B 74 6.584 -17.971 -8.467 1.00 0.00 H new ATOM 0 HE1 HIS B 74 8.582 -15.701 -11.437 1.00 0.00 H new ATOM 0 HE2 HIS B 74 8.410 -17.978 -10.321 1.00 0.00 H new ATOM 2561 N ALA B 75 6.240 -13.701 -5.408 1.00 0.00 N ATOM 2562 CA ALA B 75 7.210 -12.861 -4.723 1.00 0.00 C ATOM 2563 C ALA B 75 6.563 -12.231 -3.493 1.00 0.00 C ATOM 2564 O ALA B 75 5.875 -11.215 -3.594 1.00 0.00 O ATOM 2565 CB ALA B 75 7.752 -11.793 -5.659 1.00 0.00 C ATOM 0 H ALA B 75 5.270 -13.445 -5.225 1.00 0.00 H new ATOM 0 HA ALA B 75 8.050 -13.477 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA B 75 8.476 -11.176 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA B 75 8.238 -12.268 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.932 -11.168 -6.011 1.00 0.00 H new ATOM 2571 N ASP B 76 6.777 -12.853 -2.337 1.00 0.00 N ATOM 2572 CA ASP B 76 6.096 -12.466 -1.107 1.00 0.00 C ATOM 2573 C ASP B 76 6.540 -11.089 -0.621 1.00 0.00 C ATOM 2574 O ASP B 76 5.813 -10.421 0.109 1.00 0.00 O ATOM 2575 CB ASP B 76 6.365 -13.500 -0.010 1.00 0.00 C ATOM 2576 CG ASP B 76 5.971 -14.911 -0.406 1.00 0.00 C ATOM 2577 OD1 ASP B 76 4.764 -15.228 -0.403 1.00 0.00 O ATOM 2578 OD2 ASP B 76 6.878 -15.717 -0.710 1.00 0.00 O ATOM 0 H ASP B 76 7.423 -13.634 -2.227 1.00 0.00 H new ATOM 0 HA ASP B 76 5.029 -12.422 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP B 76 7.425 -13.484 0.243 1.00 0.00 H new ATOM 0 HB3 ASP B 76 5.818 -13.216 0.889 1.00 0.00 H new ATOM 2583 N ASP B 77 7.729 -10.672 -1.036 1.00 0.00 N ATOM 2584 CA ASP B 77 8.306 -9.409 -0.574 1.00 0.00 C ATOM 2585 C ASP B 77 7.675 -8.207 -1.274 1.00 0.00 C ATOM 2586 O ASP B 77 7.677 -7.100 -0.743 1.00 0.00 O ATOM 2587 CB ASP B 77 9.822 -9.417 -0.801 1.00 0.00 C ATOM 2588 CG ASP B 77 10.493 -8.099 -0.446 1.00 0.00 C ATOM 2589 OD1 ASP B 77 10.721 -7.849 0.758 1.00 0.00 O ATOM 2590 OD2 ASP B 77 10.812 -7.322 -1.373 1.00 0.00 O ATOM 0 H ASP B 77 8.316 -11.188 -1.692 1.00 0.00 H new ATOM 0 HA ASP B 77 8.096 -9.315 0.491 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.267 -10.214 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP B 77 10.024 -9.649 -1.847 1.00 0.00 H new ATOM 2595 N CYS B 78 7.123 -8.436 -2.456 1.00 0.00 N ATOM 2596 CA CYS B 78 6.586 -7.351 -3.269 1.00 0.00 C ATOM 2597 C CYS B 78 5.405 -6.654 -2.591 1.00 0.00 C ATOM 2598 O CYS B 78 4.516 -7.311 -2.057 1.00 0.00 O ATOM 2599 CB CYS B 78 6.183 -7.879 -4.642 1.00 0.00 C ATOM 2600 SG CYS B 78 7.584 -8.447 -5.629 1.00 0.00 S ATOM 0 H CYS B 78 7.034 -9.362 -2.875 1.00 0.00 H new ATOM 0 HA CYS B 78 7.372 -6.605 -3.387 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.480 -8.702 -4.515 1.00 0.00 H new ATOM 0 HB3 CYS B 78 5.659 -7.093 -5.186 1.00 0.00 H new ATOM 0 HG CYS B 78 7.158 -8.881 -6.778 1.00 0.00 H new ATOM 2606 N PRO B 79 5.403 -5.301 -2.632 1.00 0.00 N ATOM 2607 CA PRO B 79 4.404 -4.431 -1.997 1.00 0.00 C ATOM 2608 C PRO B 79 2.981 -4.996 -1.954 1.00 0.00 C ATOM 2609 O PRO B 79 2.410 -5.168 -0.880 1.00 0.00 O ATOM 2610 CB PRO B 79 4.433 -3.171 -2.874 1.00 0.00 C ATOM 2611 CG PRO B 79 5.655 -3.274 -3.743 1.00 0.00 C ATOM 2612 CD PRO B 79 6.423 -4.490 -3.301 1.00 0.00 C ATOM 0 HA PRO B 79 4.652 -4.280 -0.946 1.00 0.00 H new ATOM 0 HB2 PRO B 79 3.531 -3.103 -3.482 1.00 0.00 H new ATOM 0 HB3 PRO B 79 4.471 -2.272 -2.258 1.00 0.00 H new ATOM 0 HG2 PRO B 79 5.373 -3.359 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO B 79 6.269 -2.378 -3.649 1.00 0.00 H new ATOM 0 HD2 PRO B 79 6.866 -5.016 -4.146 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.238 -4.229 -2.625 1.00 0.00 H new ATOM 2620 N VAL B 80 2.403 -5.268 -3.116 1.00 0.00 N ATOM 2621 CA VAL B 80 1.026 -5.747 -3.184 1.00 0.00 C ATOM 2622 C VAL B 80 0.873 -7.108 -2.498 1.00 0.00 C ATOM 2623 O VAL B 80 -0.102 -7.353 -1.789 1.00 0.00 O ATOM 2624 CB VAL B 80 0.534 -5.842 -4.649 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.884 -6.391 -4.723 1.00 0.00 C ATOM 2626 CG2 VAL B 80 0.613 -4.482 -5.331 1.00 0.00 C ATOM 0 H VAL B 80 2.862 -5.166 -4.021 1.00 0.00 H new ATOM 0 HA VAL B 80 0.410 -5.019 -2.655 1.00 0.00 H new ATOM 0 HB VAL B 80 1.190 -6.535 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -1.199 -6.445 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.912 -7.388 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -1.558 -5.734 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL B 80 0.263 -4.570 -6.360 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -0.013 -3.769 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.646 -4.133 -5.328 1.00 0.00 H new ATOM 2636 N VAL B 81 1.858 -7.976 -2.690 1.00 0.00 N ATOM 2637 CA VAL B 81 1.805 -9.330 -2.153 1.00 0.00 C ATOM 2638 C VAL B 81 2.013 -9.337 -0.641 1.00 0.00 C ATOM 2639 O VAL B 81 1.322 -10.055 0.086 1.00 0.00 O ATOM 2640 CB VAL B 81 2.856 -10.243 -2.821 1.00 0.00 C ATOM 2641 CG1 VAL B 81 2.706 -11.679 -2.348 1.00 0.00 C ATOM 2642 CG2 VAL B 81 2.740 -10.169 -4.335 1.00 0.00 C ATOM 0 H VAL B 81 2.706 -7.765 -3.216 1.00 0.00 H new ATOM 0 HA VAL B 81 0.811 -9.718 -2.374 1.00 0.00 H new ATOM 0 HB VAL B 81 3.845 -9.890 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL B 81 3.457 -12.302 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL B 81 2.841 -11.722 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL B 81 1.712 -12.044 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL B 81 3.488 -10.819 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL B 81 1.745 -10.493 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL B 81 2.904 -9.142 -4.663 1.00 0.00 H new ATOM 2652 N ILE B 82 2.953 -8.532 -0.164 1.00 0.00 N ATOM 2653 CA ILE B 82 3.229 -8.464 1.266 1.00 0.00 C ATOM 2654 C ILE B 82 2.037 -7.864 2.009 1.00 0.00 C ATOM 2655 O ILE B 82 1.644 -8.353 3.065 1.00 0.00 O ATOM 2656 CB ILE B 82 4.523 -7.666 1.576 1.00 0.00 C ATOM 2657 CG1 ILE B 82 4.893 -7.785 3.051 1.00 0.00 C ATOM 2658 CG2 ILE B 82 4.398 -6.205 1.198 1.00 0.00 C ATOM 2659 CD1 ILE B 82 5.256 -9.190 3.476 1.00 0.00 C ATOM 0 H ILE B 82 3.533 -7.922 -0.740 1.00 0.00 H new ATOM 0 HA ILE B 82 3.390 -9.484 1.615 1.00 0.00 H new ATOM 0 HB ILE B 82 5.315 -8.104 0.968 1.00 0.00 H new ATOM 0 HG12 ILE B 82 5.734 -7.123 3.260 1.00 0.00 H new ATOM 0 HG13 ILE B 82 4.055 -7.437 3.656 1.00 0.00 H new ATOM 0 HG21 ILE B 82 5.328 -5.687 1.433 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.197 -6.121 0.130 1.00 0.00 H new ATOM 0 HG23 ILE B 82 3.579 -5.753 1.758 1.00 0.00 H new ATOM 0 HD11 ILE B 82 5.507 -9.196 4.537 1.00 0.00 H new ATOM 0 HD12 ILE B 82 4.409 -9.854 3.300 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.114 -9.535 2.898 1.00 0.00 H new ATOM 2671 N ALA B 83 1.439 -6.834 1.424 1.00 0.00 N ATOM 2672 CA ALA B 83 0.262 -6.197 2.006 1.00 0.00 C ATOM 2673 C ALA B 83 -0.896 -7.187 2.140 1.00 0.00 C ATOM 2674 O ALA B 83 -1.629 -7.171 3.132 1.00 0.00 O ATOM 2675 CB ALA B 83 -0.158 -5.004 1.169 1.00 0.00 C ATOM 0 H ALA B 83 1.750 -6.420 0.545 1.00 0.00 H new ATOM 0 HA ALA B 83 0.526 -5.853 3.006 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -1.037 -4.538 1.615 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.656 -4.281 1.132 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -0.396 -5.335 0.158 1.00 0.00 H new ATOM 2681 N LYS B 84 -1.046 -8.053 1.140 1.00 0.00 N ATOM 2682 CA LYS B 84 -2.063 -9.105 1.172 1.00 0.00 C ATOM 2683 C LYS B 84 -1.848 -10.035 2.362 1.00 0.00 C ATOM 2684 O LYS B 84 -2.799 -10.561 2.936 1.00 0.00 O ATOM 2685 CB LYS B 84 -2.034 -9.920 -0.121 1.00 0.00 C ATOM 2686 CG LYS B 84 -2.614 -9.195 -1.322 1.00 0.00 C ATOM 2687 CD LYS B 84 -2.439 -10.015 -2.590 1.00 0.00 C ATOM 2688 CE LYS B 84 -3.272 -9.465 -3.738 1.00 0.00 C ATOM 2689 NZ LYS B 84 -4.724 -9.449 -3.412 1.00 0.00 N ATOM 0 H LYS B 84 -0.475 -8.048 0.295 1.00 0.00 H new ATOM 0 HA LYS B 84 -3.035 -8.623 1.272 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -1.003 -10.197 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -2.587 -10.846 0.033 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -3.673 -8.998 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -2.124 -8.228 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -1.387 -10.023 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -2.725 -11.049 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -2.942 -8.453 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -3.107 -10.070 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -5.244 -10.012 -4.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -4.872 -9.854 -2.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -5.072 -8.469 -3.427 1.00 0.00 H new ATOM 2703 N GLN B 85 -0.589 -10.241 2.712 1.00 0.00 N ATOM 2704 CA GLN B 85 -0.228 -11.072 3.841 1.00 0.00 C ATOM 2705 C GLN B 85 -0.404 -10.311 5.150 1.00 0.00 C ATOM 2706 O GLN B 85 -0.764 -10.895 6.169 1.00 0.00 O ATOM 2707 CB GLN B 85 1.213 -11.538 3.681 1.00 0.00 C ATOM 2708 CG GLN B 85 1.423 -12.426 2.468 1.00 0.00 C ATOM 2709 CD GLN B 85 2.886 -12.669 2.182 1.00 0.00 C ATOM 2710 OE1 GLN B 85 3.478 -13.627 2.676 1.00 0.00 O ATOM 2711 NE2 GLN B 85 3.475 -11.799 1.381 1.00 0.00 N ATOM 0 H GLN B 85 0.208 -9.836 2.220 1.00 0.00 H new ATOM 0 HA GLN B 85 -0.886 -11.940 3.871 1.00 0.00 H new ATOM 0 HB2 GLN B 85 1.863 -10.667 3.602 1.00 0.00 H new ATOM 0 HB3 GLN B 85 1.514 -12.081 4.577 1.00 0.00 H new ATOM 0 HG2 GLN B 85 0.923 -13.381 2.629 1.00 0.00 H new ATOM 0 HG3 GLN B 85 0.957 -11.965 1.598 1.00 0.00 H new ATOM 0 HE21 GLN B 85 2.942 -11.019 0.995 1.00 0.00 H new ATOM 0 HE22 GLN B 85 4.462 -11.907 1.149 1.00 0.00 H new ATOM 2720 N ILE B 86 -0.160 -9.006 5.110 1.00 0.00 N ATOM 2721 CA ILE B 86 -0.307 -8.149 6.285 1.00 0.00 C ATOM 2722 C ILE B 86 -1.749 -8.127 6.785 1.00 0.00 C ATOM 2723 O ILE B 86 -2.003 -8.286 7.980 1.00 0.00 O ATOM 2724 CB ILE B 86 0.150 -6.702 5.986 1.00 0.00 C ATOM 2725 CG1 ILE B 86 1.652 -6.668 5.698 1.00 0.00 C ATOM 2726 CG2 ILE B 86 -0.190 -5.776 7.148 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.181 -5.289 5.362 1.00 0.00 C ATOM 0 H ILE B 86 0.143 -8.513 4.270 1.00 0.00 H new ATOM 0 HA ILE B 86 0.330 -8.571 7.062 1.00 0.00 H new ATOM 0 HB ILE B 86 -0.383 -6.350 5.103 1.00 0.00 H new ATOM 0 HG12 ILE B 86 2.187 -7.050 6.567 1.00 0.00 H new ATOM 0 HG13 ILE B 86 1.868 -7.342 4.869 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.141 -4.764 6.915 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -1.268 -5.777 7.311 1.00 0.00 H new ATOM 0 HG23 ILE B 86 0.314 -6.124 8.050 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.253 -5.347 5.171 1.00 0.00 H new ATOM 0 HD12 ILE B 86 1.674 -4.911 4.474 1.00 0.00 H new ATOM 0 HD13 ILE B 86 1.998 -4.615 6.199 1.00 0.00 H new ATOM 2739 N LEU B 87 -2.693 -7.945 5.867 1.00 0.00 N ATOM 2740 CA LEU B 87 -4.107 -7.880 6.229 1.00 0.00 C ATOM 2741 C LEU B 87 -4.638 -9.256 6.626 1.00 0.00 C ATOM 2742 O LEU B 87 -5.781 -9.395 7.067 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.925 -7.281 5.074 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.781 -7.972 3.709 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.643 -9.222 3.627 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -5.137 -7.009 2.590 1.00 0.00 C ATOM 0 H LEU B 87 -2.507 -7.840 4.870 1.00 0.00 H new ATOM 0 HA LEU B 87 -4.210 -7.228 7.096 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.978 -7.296 5.356 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.641 -6.235 4.960 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.740 -8.276 3.596 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -5.518 -9.687 2.649 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -5.340 -9.924 4.404 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.689 -8.952 3.769 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -5.030 -7.512 1.629 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -6.167 -6.674 2.712 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -4.469 -6.148 2.625 1.00 0.00 H new ATOM 2758 N SER B 88 -3.801 -10.264 6.461 1.00 0.00 N ATOM 2759 CA SER B 88 -4.160 -11.622 6.812 1.00 0.00 C ATOM 2760 C SER B 88 -3.495 -12.021 8.128 1.00 0.00 C ATOM 2761 O SER B 88 -4.174 -12.196 9.144 1.00 0.00 O ATOM 2762 CB SER B 88 -3.751 -12.575 5.682 1.00 0.00 C ATOM 2763 OG SER B 88 -4.126 -13.909 5.966 1.00 0.00 O ATOM 0 H SER B 88 -2.859 -10.164 6.082 1.00 0.00 H new ATOM 0 HA SER B 88 -5.240 -11.685 6.946 1.00 0.00 H new ATOM 0 HB2 SER B 88 -4.217 -12.256 4.750 1.00 0.00 H new ATOM 0 HB3 SER B 88 -2.672 -12.523 5.534 1.00 0.00 H new ATOM 0 HG SER B 88 -3.853 -14.490 5.226 1.00 0.00 H new ATOM 2769 N SER B 89 -2.160 -12.117 8.101 1.00 0.00 N ATOM 2770 CA SER B 89 -1.353 -12.565 9.238 1.00 0.00 C ATOM 2771 C SER B 89 -1.665 -14.021 9.596 1.00 0.00 C ATOM 2772 O SER B 89 -0.845 -14.914 9.364 1.00 0.00 O ATOM 2773 CB SER B 89 -1.544 -11.648 10.456 1.00 0.00 C ATOM 2774 OG SER B 89 -0.578 -11.921 11.464 1.00 0.00 O ATOM 0 H SER B 89 -1.605 -11.882 7.278 1.00 0.00 H new ATOM 0 HA SER B 89 -0.306 -12.508 8.940 1.00 0.00 H new ATOM 0 HB2 SER B 89 -1.465 -10.606 10.146 1.00 0.00 H new ATOM 0 HB3 SER B 89 -2.546 -11.784 10.863 1.00 0.00 H new ATOM 0 HG SER B 89 -0.590 -11.204 12.132 1.00 0.00 H new