USER MOD reduce.3.24.130724 H: found=0, std=0, add=1134, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1136 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 SER OG : rot -57:sc= 0.565 USER MOD Set 1.2: B 80 TYR OH : rot 80:sc= 0.467 USER MOD Set 1.3: B 84 HIS : no HD1:sc= 0.68 K(o=1.7,f=-1.3!) USER MOD Set 2.1: B 23 THR OG1 : rot 76:sc= 0.458 USER MOD Set 2.2: B 67 HIS : no HD1:sc= -1.26 X(o=-0.8,f=-0.62) USER MOD Set 3.1: B 48 SER OG : rot 159:sc= 1.24 USER MOD Set 3.2: B 53 TYR OH : rot 130:sc= 1.05 USER MOD Set 4.1: A 79 TYR OH : rot 171:sc= 0.0555 USER MOD Set 4.2: A 83 ASN : amide:sc= -0.367 X(o=-1.9,f=-1.7) USER MOD Set 4.3: B 83 ASN : amide:sc= -1.58! C(o=-1.9!,f=-2.5!) USER MOD Set 5.1: A 80 TYR OH : rot 74:sc= -1.52! USER MOD Set 5.2: A 84 HIS : no HD1:sc= 0.643 K(o=-0.031,f=-4.7!) USER MOD Set 5.3: B 21 SER OG : rot -34:sc= 0.842 USER MOD Set 6.1: A 23 THR OG1 : rot 68:sc= 1.95 USER MOD Set 6.2: A 67 HIS : no HD1:sc= 0.442 K(o=2.4,f=-4.8!) USER MOD Single : A 26 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 28 TYR OH : rot -50:sc= -0.863 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0249 F(o=-1.1,f=-0.025) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.0922 X(o=0.092,f=-0.011) USER MOD Single : A 45 TYR OH : rot 30:sc= 0.814 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.908 K(o=0.91,f=-0.0055) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 73 MET CE :methyl -173:sc= -0.922 (180deg=-1.12) USER MOD Single : A 77 THR OG1 : rot 79:sc= 1.02 USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 0.689 (180deg=0.459) USER MOD Single : B 26 THR OG1 : rot 78:sc= 0.74 USER MOD Single : B 28 TYR OH : rot 64:sc= 0.193 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 ASN :FLIP amide:sc= -0.0363 F(o=-1.3!,f=-0.036) USER MOD Single : B 40 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : B 41 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.011) USER MOD Single : B 45 TYR OH : rot 42:sc= 1.23 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 58 GLN : amide:sc= -0.0079 K(o=-0.0079,f=-0.64) USER MOD Single : B 62 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 73 MET CE :methyl 176:sc= -1.49 (180deg=-1.57) USER MOD Single : B 77 THR OG1 : rot 72:sc= 1.29 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 300 N ALA A 19 13.282 2.016 6.161 1.00 44.23 N ATOM 301 CA ALA A 19 12.717 1.935 7.497 1.00 73.21 C ATOM 302 C ALA A 19 11.264 1.531 7.431 1.00 53.05 C ATOM 303 O ALA A 19 10.763 0.807 8.293 1.00 61.13 O ATOM 304 CB ALA A 19 12.815 3.272 8.161 1.00 4.33 C ATOM 0 HA ALA A 19 13.273 1.189 8.065 1.00 73.21 H new ATOM 0 HB1 ALA A 19 12.391 3.212 9.164 1.00 4.33 H new ATOM 0 HB2 ALA A 19 13.861 3.570 8.226 1.00 4.33 H new ATOM 0 HB3 ALA A 19 12.264 4.009 7.577 1.00 4.33 H new ATOM 310 N ILE A 20 10.592 2.005 6.392 1.00 64.22 N ATOM 311 CA ILE A 20 9.183 1.725 6.177 1.00 34.40 C ATOM 312 C ILE A 20 8.982 0.219 6.025 1.00 22.12 C ATOM 313 O ILE A 20 7.979 -0.338 6.482 1.00 13.04 O ATOM 314 CB ILE A 20 8.660 2.459 4.911 1.00 21.23 C ATOM 315 CG1 ILE A 20 8.941 3.969 5.020 1.00 52.12 C ATOM 316 CG2 ILE A 20 7.165 2.206 4.718 1.00 44.42 C ATOM 317 CD1 ILE A 20 8.513 4.769 3.803 1.00 60.43 C ATOM 0 H ILE A 20 11.011 2.596 5.674 1.00 64.22 H new ATOM 0 HA ILE A 20 8.619 2.086 7.037 1.00 34.40 H new ATOM 0 HB ILE A 20 9.186 2.066 4.041 1.00 21.23 H new ATOM 0 HG12 ILE A 20 8.427 4.361 5.898 1.00 52.12 H new ATOM 0 HG13 ILE A 20 10.008 4.118 5.182 1.00 52.12 H new ATOM 0 HG21 ILE A 20 6.820 2.729 3.826 1.00 44.42 H new ATOM 0 HG22 ILE A 20 6.989 1.137 4.603 1.00 44.42 H new ATOM 0 HG23 ILE A 20 6.619 2.572 5.587 1.00 44.42 H new ATOM 0 HD11 ILE A 20 8.746 5.822 3.960 1.00 60.43 H new ATOM 0 HD12 ILE A 20 9.046 4.407 2.924 1.00 60.43 H new ATOM 0 HD13 ILE A 20 7.440 4.653 3.650 1.00 60.43 H new ATOM 329 N SER A 21 9.980 -0.423 5.454 1.00 53.43 N ATOM 330 CA SER A 21 9.958 -1.854 5.205 1.00 22.04 C ATOM 331 C SER A 21 9.894 -2.612 6.522 1.00 15.21 C ATOM 332 O SER A 21 9.028 -3.478 6.735 1.00 75.04 O ATOM 333 CB SER A 21 11.224 -2.238 4.448 1.00 75.13 C ATOM 334 OG SER A 21 11.366 -1.437 3.288 1.00 12.45 O ATOM 0 H SER A 21 10.838 0.035 5.146 1.00 53.43 H new ATOM 0 HA SER A 21 9.079 -2.111 4.614 1.00 22.04 H new ATOM 0 HB2 SER A 21 12.094 -2.113 5.093 1.00 75.13 H new ATOM 0 HB3 SER A 21 11.183 -3.291 4.168 1.00 75.13 H new ATOM 0 HG SER A 21 10.568 -1.530 2.726 1.00 12.45 H new ATOM 340 N GLU A 22 10.797 -2.247 7.409 1.00 32.11 N ATOM 341 CA GLU A 22 10.905 -2.836 8.730 1.00 31.01 C ATOM 342 C GLU A 22 9.633 -2.551 9.522 1.00 43.53 C ATOM 343 O GLU A 22 9.152 -3.395 10.300 1.00 24.24 O ATOM 344 CB GLU A 22 12.105 -2.221 9.426 1.00 63.40 C ATOM 345 CG GLU A 22 13.397 -2.390 8.651 1.00 72.04 C ATOM 346 CD GLU A 22 14.528 -1.624 9.255 1.00 60.04 C ATOM 347 OE1 GLU A 22 14.644 -0.415 8.982 1.00 53.13 O ATOM 348 OE2 GLU A 22 15.339 -2.206 10.002 1.00 15.35 O ATOM 0 H GLU A 22 11.489 -1.520 7.230 1.00 32.11 H new ATOM 0 HA GLU A 22 11.032 -3.916 8.657 1.00 31.01 H new ATOM 0 HB2 GLU A 22 11.920 -1.158 9.584 1.00 63.40 H new ATOM 0 HB3 GLU A 22 12.218 -2.675 10.411 1.00 63.40 H new ATOM 0 HG2 GLU A 22 13.658 -3.448 8.612 1.00 72.04 H new ATOM 0 HG3 GLU A 22 13.247 -2.060 7.623 1.00 72.04 H new ATOM 355 N THR A 23 9.079 -1.372 9.298 1.00 25.13 N ATOM 356 CA THR A 23 7.864 -0.967 9.944 1.00 23.52 C ATOM 357 C THR A 23 6.698 -1.866 9.511 1.00 71.12 C ATOM 358 O THR A 23 6.022 -2.451 10.351 1.00 72.25 O ATOM 359 CB THR A 23 7.519 0.496 9.603 1.00 42.23 C ATOM 360 OG1 THR A 23 8.594 1.369 9.992 1.00 10.31 O ATOM 361 CG2 THR A 23 6.239 0.920 10.300 1.00 41.43 C ATOM 0 H THR A 23 9.467 -0.676 8.661 1.00 25.13 H new ATOM 0 HA THR A 23 8.018 -1.058 11.019 1.00 23.52 H new ATOM 0 HB THR A 23 7.374 0.567 8.525 1.00 42.23 H new ATOM 0 HG1 THR A 23 9.373 1.202 9.422 1.00 10.31 H new ATOM 0 HG21 THR A 23 6.013 1.956 10.047 1.00 41.43 H new ATOM 0 HG22 THR A 23 5.419 0.279 9.976 1.00 41.43 H new ATOM 0 HG23 THR A 23 6.365 0.830 11.379 1.00 41.43 H new ATOM 369 N LEU A 24 6.508 -2.004 8.202 1.00 73.44 N ATOM 370 CA LEU A 24 5.398 -2.783 7.656 1.00 34.41 C ATOM 371 C LEU A 24 5.479 -4.242 8.059 1.00 22.14 C ATOM 372 O LEU A 24 4.460 -4.866 8.342 1.00 23.50 O ATOM 373 CB LEU A 24 5.316 -2.640 6.132 1.00 71.14 C ATOM 374 CG LEU A 24 5.045 -1.224 5.605 1.00 24.05 C ATOM 375 CD1 LEU A 24 5.028 -1.215 4.093 1.00 24.30 C ATOM 376 CD2 LEU A 24 3.729 -0.680 6.154 1.00 0.45 C ATOM 0 H LEU A 24 7.112 -1.584 7.495 1.00 73.44 H new ATOM 0 HA LEU A 24 4.482 -2.377 8.084 1.00 34.41 H new ATOM 0 HB2 LEU A 24 6.253 -2.993 5.702 1.00 71.14 H new ATOM 0 HB3 LEU A 24 4.529 -3.300 5.766 1.00 71.14 H new ATOM 0 HG LEU A 24 5.851 -0.576 5.948 1.00 24.05 H new ATOM 0 HD11 LEU A 24 4.835 -0.203 3.737 1.00 24.30 H new ATOM 0 HD12 LEU A 24 5.993 -1.554 3.716 1.00 24.30 H new ATOM 0 HD13 LEU A 24 4.244 -1.882 3.734 1.00 24.30 H new ATOM 0 HD21 LEU A 24 3.560 0.324 5.766 1.00 0.45 H new ATOM 0 HD22 LEU A 24 2.910 -1.330 5.847 1.00 0.45 H new ATOM 0 HD23 LEU A 24 3.776 -0.645 7.242 1.00 0.45 H new ATOM 388 N GLU A 25 6.690 -4.772 8.109 1.00 50.21 N ATOM 389 CA GLU A 25 6.905 -6.143 8.528 1.00 71.24 C ATOM 390 C GLU A 25 6.411 -6.319 9.983 1.00 33.21 C ATOM 391 O GLU A 25 5.705 -7.278 10.314 1.00 32.04 O ATOM 392 CB GLU A 25 8.389 -6.482 8.432 1.00 43.11 C ATOM 393 CG GLU A 25 8.719 -7.921 8.759 1.00 24.34 C ATOM 394 CD GLU A 25 10.182 -8.204 8.652 1.00 21.00 C ATOM 395 OE1 GLU A 25 10.852 -8.295 9.693 1.00 44.11 O ATOM 396 OE2 GLU A 25 10.702 -8.314 7.520 1.00 2.15 O ATOM 0 H GLU A 25 7.542 -4.268 7.863 1.00 50.21 H new ATOM 0 HA GLU A 25 6.347 -6.817 7.878 1.00 71.24 H new ATOM 0 HB2 GLU A 25 8.736 -6.262 7.422 1.00 43.11 H new ATOM 0 HB3 GLU A 25 8.943 -5.831 9.108 1.00 43.11 H new ATOM 0 HG2 GLU A 25 8.380 -8.149 9.769 1.00 24.34 H new ATOM 0 HG3 GLU A 25 8.173 -8.580 8.083 1.00 24.34 H new ATOM 403 N THR A 26 6.765 -5.355 10.822 1.00 13.03 N ATOM 404 CA THR A 26 6.377 -5.346 12.218 1.00 52.31 C ATOM 405 C THR A 26 4.850 -5.169 12.362 1.00 55.03 C ATOM 406 O THR A 26 4.206 -5.863 13.159 1.00 74.03 O ATOM 407 CB THR A 26 7.109 -4.212 12.966 1.00 12.42 C ATOM 408 OG1 THR A 26 8.536 -4.396 12.830 1.00 32.52 O ATOM 409 CG2 THR A 26 6.745 -4.212 14.443 1.00 62.00 C ATOM 0 H THR A 26 7.333 -4.554 10.547 1.00 13.03 H new ATOM 0 HA THR A 26 6.657 -6.304 12.656 1.00 52.31 H new ATOM 0 HB THR A 26 6.806 -3.259 12.532 1.00 12.42 H new ATOM 0 HG1 THR A 26 8.829 -4.050 11.961 1.00 32.52 H new ATOM 0 HG21 THR A 26 7.274 -3.404 14.948 1.00 62.00 H new ATOM 0 HG22 THR A 26 5.670 -4.067 14.553 1.00 62.00 H new ATOM 0 HG23 THR A 26 7.030 -5.165 14.888 1.00 62.00 H new ATOM 417 N VAL A 27 4.286 -4.250 11.577 1.00 71.22 N ATOM 418 CA VAL A 27 2.846 -4.000 11.579 1.00 4.43 C ATOM 419 C VAL A 27 2.096 -5.279 11.205 1.00 64.25 C ATOM 420 O VAL A 27 1.083 -5.635 11.831 1.00 51.53 O ATOM 421 CB VAL A 27 2.463 -2.846 10.603 1.00 71.52 C ATOM 422 CG1 VAL A 27 0.964 -2.654 10.563 1.00 54.20 C ATOM 423 CG2 VAL A 27 3.124 -1.545 11.031 1.00 62.33 C ATOM 0 H VAL A 27 4.810 -3.663 10.928 1.00 71.22 H new ATOM 0 HA VAL A 27 2.559 -3.692 12.584 1.00 4.43 H new ATOM 0 HB VAL A 27 2.814 -3.120 9.608 1.00 71.52 H new ATOM 0 HG11 VAL A 27 0.719 -1.844 9.876 1.00 54.20 H new ATOM 0 HG12 VAL A 27 0.488 -3.574 10.224 1.00 54.20 H new ATOM 0 HG13 VAL A 27 0.602 -2.405 11.561 1.00 54.20 H new ATOM 0 HG21 VAL A 27 2.846 -0.751 10.339 1.00 62.33 H new ATOM 0 HG22 VAL A 27 2.794 -1.283 12.036 1.00 62.33 H new ATOM 0 HG23 VAL A 27 4.207 -1.668 11.026 1.00 62.33 H new ATOM 433 N TYR A 28 2.627 -5.982 10.216 1.00 54.15 N ATOM 434 CA TYR A 28 2.063 -7.238 9.769 1.00 74.34 C ATOM 435 C TYR A 28 2.071 -8.250 10.918 1.00 53.44 C ATOM 436 O TYR A 28 1.051 -8.884 11.206 1.00 43.11 O ATOM 437 CB TYR A 28 2.854 -7.781 8.559 1.00 23.33 C ATOM 438 CG TYR A 28 2.344 -9.106 8.030 1.00 42.33 C ATOM 439 CD1 TYR A 28 2.797 -10.301 8.562 1.00 15.44 C ATOM 440 CD2 TYR A 28 1.403 -9.159 7.014 1.00 1.11 C ATOM 441 CE1 TYR A 28 2.330 -11.504 8.101 1.00 22.12 C ATOM 442 CE2 TYR A 28 0.926 -10.366 6.547 1.00 70.13 C ATOM 443 CZ TYR A 28 1.394 -11.533 7.096 1.00 53.21 C ATOM 444 OH TYR A 28 0.912 -12.738 6.645 1.00 4.41 O ATOM 0 H TYR A 28 3.461 -5.694 9.704 1.00 54.15 H new ATOM 0 HA TYR A 28 1.032 -7.073 9.456 1.00 74.34 H new ATOM 0 HB2 TYR A 28 2.820 -7.044 7.756 1.00 23.33 H new ATOM 0 HB3 TYR A 28 3.900 -7.894 8.844 1.00 23.33 H new ATOM 0 HD1 TYR A 28 3.531 -10.285 9.354 1.00 15.44 H new ATOM 0 HD2 TYR A 28 1.037 -8.240 6.581 1.00 1.11 H new ATOM 0 HE1 TYR A 28 2.697 -12.426 8.526 1.00 22.12 H new ATOM 0 HE2 TYR A 28 0.191 -10.392 5.756 1.00 70.13 H new ATOM 0 HH TYR A 28 1.662 -13.334 6.440 1.00 4.41 H new ATOM 454 N ARG A 29 3.221 -8.375 11.573 1.00 30.20 N ATOM 455 CA ARG A 29 3.389 -9.288 12.703 1.00 43.44 C ATOM 456 C ARG A 29 2.381 -9.036 13.808 1.00 54.25 C ATOM 457 O ARG A 29 1.745 -9.975 14.306 1.00 44.34 O ATOM 458 CB ARG A 29 4.805 -9.217 13.264 1.00 51.45 C ATOM 459 CG ARG A 29 5.870 -9.856 12.393 1.00 60.23 C ATOM 460 CD ARG A 29 5.576 -11.337 12.205 1.00 52.14 C ATOM 461 NE ARG A 29 5.387 -12.017 13.497 1.00 52.24 N ATOM 462 CZ ARG A 29 4.842 -13.226 13.659 1.00 15.43 C ATOM 463 NH1 ARG A 29 4.525 -13.969 12.603 1.00 24.32 N ATOM 464 NH2 ARG A 29 4.639 -13.704 14.880 1.00 72.14 N ATOM 0 H ARG A 29 4.062 -7.848 11.338 1.00 30.20 H new ATOM 0 HA ARG A 29 3.210 -10.291 12.315 1.00 43.44 H new ATOM 0 HB2 ARG A 29 5.065 -8.170 13.422 1.00 51.45 H new ATOM 0 HB3 ARG A 29 4.818 -9.700 14.241 1.00 51.45 H new ATOM 0 HG2 ARG A 29 5.904 -9.359 11.424 1.00 60.23 H new ATOM 0 HG3 ARG A 29 6.850 -9.728 12.852 1.00 60.23 H new ATOM 0 HD2 ARG A 29 4.681 -11.457 11.595 1.00 52.14 H new ATOM 0 HD3 ARG A 29 6.397 -11.806 11.662 1.00 52.14 H new ATOM 0 HE ARG A 29 5.697 -11.526 14.336 1.00 52.24 H new ATOM 0 HH11 ARG A 29 4.698 -13.617 11.661 1.00 24.32 H new ATOM 0 HH12 ARG A 29 4.109 -14.891 12.734 1.00 24.32 H new ATOM 0 HH21 ARG A 29 4.899 -13.148 15.695 1.00 72.14 H new ATOM 0 HH22 ARG A 29 4.223 -14.627 15.004 1.00 72.14 H new ATOM 478 N ALA A 30 2.219 -7.779 14.167 1.00 52.44 N ATOM 479 CA ALA A 30 1.301 -7.395 15.228 1.00 62.40 C ATOM 480 C ALA A 30 -0.130 -7.814 14.887 1.00 0.23 C ATOM 481 O ALA A 30 -0.826 -8.409 15.704 1.00 22.12 O ATOM 482 CB ALA A 30 1.373 -5.894 15.478 1.00 75.02 C ATOM 0 H ALA A 30 2.714 -6.998 13.737 1.00 52.44 H new ATOM 0 HA ALA A 30 1.599 -7.913 16.140 1.00 62.40 H new ATOM 0 HB1 ALA A 30 0.680 -5.624 16.275 1.00 75.02 H new ATOM 0 HB2 ALA A 30 2.387 -5.622 15.772 1.00 75.02 H new ATOM 0 HB3 ALA A 30 1.104 -5.360 14.567 1.00 75.02 H new ATOM 488 N LEU A 31 -0.535 -7.538 13.674 1.00 32.13 N ATOM 489 CA LEU A 31 -1.873 -7.855 13.206 1.00 53.20 C ATOM 490 C LEU A 31 -2.120 -9.353 13.062 1.00 55.31 C ATOM 491 O LEU A 31 -3.260 -9.806 13.200 1.00 40.34 O ATOM 492 CB LEU A 31 -2.185 -7.076 11.951 1.00 73.32 C ATOM 493 CG LEU A 31 -2.328 -5.584 12.171 1.00 44.45 C ATOM 494 CD1 LEU A 31 -2.332 -4.826 10.867 1.00 3.43 C ATOM 495 CD2 LEU A 31 -3.612 -5.308 12.912 1.00 23.21 C ATOM 0 H LEU A 31 0.052 -7.085 12.974 1.00 32.13 H new ATOM 0 HA LEU A 31 -2.577 -7.539 13.975 1.00 53.20 H new ATOM 0 HB2 LEU A 31 -1.395 -7.251 11.221 1.00 73.32 H new ATOM 0 HB3 LEU A 31 -3.109 -7.459 11.518 1.00 73.32 H new ATOM 0 HG LEU A 31 -1.472 -5.247 12.755 1.00 44.45 H new ATOM 0 HD11 LEU A 31 -2.436 -3.759 11.066 1.00 3.43 H new ATOM 0 HD12 LEU A 31 -1.396 -5.006 10.338 1.00 3.43 H new ATOM 0 HD13 LEU A 31 -3.167 -5.164 10.253 1.00 3.43 H new ATOM 0 HD21 LEU A 31 -3.717 -4.235 13.071 1.00 23.21 H new ATOM 0 HD22 LEU A 31 -4.456 -5.672 12.326 1.00 23.21 H new ATOM 0 HD23 LEU A 31 -3.593 -5.818 13.875 1.00 23.21 H new ATOM 507 N GLU A 32 -1.070 -10.109 12.779 1.00 54.14 N ATOM 508 CA GLU A 32 -1.151 -11.573 12.762 1.00 24.44 C ATOM 509 C GLU A 32 -1.479 -12.094 14.148 1.00 22.13 C ATOM 510 O GLU A 32 -2.379 -12.934 14.321 1.00 74.51 O ATOM 511 CB GLU A 32 0.169 -12.183 12.301 1.00 0.02 C ATOM 512 CG GLU A 32 0.445 -12.073 10.822 1.00 15.04 C ATOM 513 CD GLU A 32 -0.433 -12.989 9.997 1.00 42.54 C ATOM 514 OE1 GLU A 32 -1.486 -12.556 9.499 1.00 72.02 O ATOM 515 OE2 GLU A 32 -0.063 -14.164 9.830 1.00 75.42 O ATOM 0 H GLU A 32 -0.147 -9.737 12.557 1.00 54.14 H new ATOM 0 HA GLU A 32 -1.939 -11.858 12.065 1.00 24.44 H new ATOM 0 HB2 GLU A 32 0.983 -11.701 12.843 1.00 0.02 H new ATOM 0 HB3 GLU A 32 0.181 -13.237 12.579 1.00 0.02 H new ATOM 0 HG2 GLU A 32 0.290 -11.042 10.503 1.00 15.04 H new ATOM 0 HG3 GLU A 32 1.492 -12.311 10.633 1.00 15.04 H new ATOM 522 N GLU A 33 -0.768 -11.579 15.140 1.00 62.14 N ATOM 523 CA GLU A 33 -0.967 -11.998 16.510 1.00 74.55 C ATOM 524 C GLU A 33 -2.286 -11.477 17.071 1.00 20.30 C ATOM 525 O GLU A 33 -2.908 -12.123 17.915 1.00 65.44 O ATOM 526 CB GLU A 33 0.206 -11.589 17.395 1.00 63.12 C ATOM 527 CG GLU A 33 1.527 -12.203 16.965 1.00 12.50 C ATOM 528 CD GLU A 33 2.642 -11.938 17.938 1.00 13.33 C ATOM 529 OE1 GLU A 33 3.412 -11.001 17.738 1.00 53.31 O ATOM 530 OE2 GLU A 33 2.769 -12.700 18.927 1.00 52.14 O ATOM 0 H GLU A 33 -0.047 -10.868 15.016 1.00 62.14 H new ATOM 0 HA GLU A 33 -1.018 -13.087 16.509 1.00 74.55 H new ATOM 0 HB2 GLU A 33 0.298 -10.503 17.385 1.00 63.12 H new ATOM 0 HB3 GLU A 33 -0.005 -11.882 18.424 1.00 63.12 H new ATOM 0 HG2 GLU A 33 1.401 -13.280 16.850 1.00 12.50 H new ATOM 0 HG3 GLU A 33 1.804 -11.808 15.987 1.00 12.50 H new ATOM 537 N LYS A 34 -2.716 -10.331 16.595 1.00 41.11 N ATOM 538 CA LYS A 34 -3.975 -9.744 17.036 1.00 74.12 C ATOM 539 C LYS A 34 -5.164 -10.305 16.252 1.00 52.52 C ATOM 540 O LYS A 34 -6.318 -10.053 16.602 1.00 20.35 O ATOM 541 CB LYS A 34 -3.933 -8.225 16.910 1.00 22.42 C ATOM 542 CG LYS A 34 -2.918 -7.534 17.804 1.00 74.43 C ATOM 543 CD LYS A 34 -3.240 -7.686 19.287 1.00 45.42 C ATOM 544 CE LYS A 34 -4.519 -6.952 19.685 1.00 24.44 C ATOM 545 NZ LYS A 34 -4.775 -7.064 21.135 1.00 40.32 N ATOM 0 H LYS A 34 -2.215 -9.779 15.899 1.00 41.11 H new ATOM 0 HA LYS A 34 -4.109 -10.009 18.085 1.00 74.12 H new ATOM 0 HB2 LYS A 34 -3.716 -7.967 15.873 1.00 22.42 H new ATOM 0 HB3 LYS A 34 -4.923 -7.829 17.137 1.00 22.42 H new ATOM 0 HG2 LYS A 34 -1.928 -7.945 17.607 1.00 74.43 H new ATOM 0 HG3 LYS A 34 -2.879 -6.474 17.552 1.00 74.43 H new ATOM 0 HD2 LYS A 34 -3.342 -8.744 19.527 1.00 45.42 H new ATOM 0 HD3 LYS A 34 -2.407 -7.305 19.878 1.00 45.42 H new ATOM 0 HE2 LYS A 34 -4.438 -5.901 19.408 1.00 24.44 H new ATOM 0 HE3 LYS A 34 -5.363 -7.363 19.132 1.00 24.44 H new ATOM 0 HZ1 LYS A 34 -5.650 -6.555 21.373 1.00 40.32 H new ATOM 0 HZ2 LYS A 34 -4.876 -8.066 21.393 1.00 40.32 H new ATOM 0 HZ3 LYS A 34 -3.979 -6.649 21.661 1.00 40.32 H new ATOM 559 N GLY A 35 -4.872 -11.051 15.192 1.00 61.54 N ATOM 560 CA GLY A 35 -5.911 -11.710 14.424 1.00 45.43 C ATOM 561 C GLY A 35 -6.857 -10.758 13.704 1.00 15.31 C ATOM 562 O GLY A 35 -8.068 -10.992 13.682 1.00 2.30 O ATOM 0 H GLY A 35 -3.925 -11.212 14.849 1.00 61.54 H new ATOM 0 HA2 GLY A 35 -5.443 -12.364 13.688 1.00 45.43 H new ATOM 0 HA3 GLY A 35 -6.493 -12.346 15.092 1.00 45.43 H new ATOM 566 N TYR A 36 -6.339 -9.676 13.143 1.00 1.11 N ATOM 567 CA TYR A 36 -7.222 -8.699 12.477 1.00 40.20 C ATOM 568 C TYR A 36 -7.126 -8.719 10.962 1.00 41.13 C ATOM 569 O TYR A 36 -7.806 -7.932 10.308 1.00 51.30 O ATOM 570 CB TYR A 36 -6.970 -7.269 12.949 1.00 43.13 C ATOM 571 CG TYR A 36 -7.284 -6.994 14.389 1.00 61.14 C ATOM 572 CD1 TYR A 36 -6.302 -6.567 15.251 1.00 70.02 C ATOM 573 CD2 TYR A 36 -8.572 -7.149 14.885 1.00 31.42 C ATOM 574 CE1 TYR A 36 -6.590 -6.296 16.577 1.00 50.22 C ATOM 575 CE2 TYR A 36 -8.864 -6.885 16.205 1.00 52.11 C ATOM 576 CZ TYR A 36 -7.866 -6.457 17.044 1.00 41.43 C ATOM 577 OH TYR A 36 -8.144 -6.180 18.358 1.00 50.12 O ATOM 0 H TYR A 36 -5.345 -9.446 13.128 1.00 1.11 H new ATOM 0 HA TYR A 36 -8.224 -9.016 12.765 1.00 40.20 H new ATOM 0 HB2 TYR A 36 -5.922 -7.027 12.772 1.00 43.13 H new ATOM 0 HB3 TYR A 36 -7.562 -6.593 12.332 1.00 43.13 H new ATOM 0 HD1 TYR A 36 -5.292 -6.441 14.889 1.00 70.02 H new ATOM 0 HD2 TYR A 36 -9.358 -7.482 14.224 1.00 31.42 H new ATOM 0 HE1 TYR A 36 -5.809 -5.958 17.242 1.00 50.22 H new ATOM 0 HE2 TYR A 36 -9.870 -7.014 16.577 1.00 52.11 H new ATOM 0 HH TYR A 36 -9.094 -6.343 18.533 1.00 50.12 H new ATOM 587 N ASN A 37 -6.326 -9.626 10.413 1.00 71.01 N ATOM 588 CA ASN A 37 -6.038 -9.653 8.953 1.00 25.42 C ATOM 589 C ASN A 37 -5.237 -8.421 8.555 1.00 3.14 C ATOM 590 O ASN A 37 -5.799 -7.398 8.139 1.00 54.34 O ATOM 591 CB ASN A 37 -7.309 -9.818 8.057 1.00 30.54 C ATOM 592 CG ASN A 37 -8.001 -11.167 8.215 1.00 74.42 C ATOM 593 OD1 ASN A 37 -7.237 -12.216 8.439 1.00 43.11 O flip ATOM 594 ND2 ASN A 37 -9.228 -11.269 8.094 1.00 51.32 N flip ATOM 0 H ASN A 37 -5.857 -10.360 10.944 1.00 71.01 H new ATOM 0 HA ASN A 37 -5.443 -10.548 8.771 1.00 25.42 H new ATOM 0 HB2 ASN A 37 -8.018 -9.026 8.298 1.00 30.54 H new ATOM 0 HB3 ASN A 37 -7.026 -9.685 7.013 1.00 30.54 H new ATOM 0 HD21 ASN A 37 -9.794 -10.438 7.921 1.00 51.32 H new ATOM 0 HD22 ASN A 37 -9.673 -12.184 8.167 1.00 51.32 H new ATOM 601 N PRO A 38 -3.890 -8.491 8.754 1.00 14.32 N ATOM 602 CA PRO A 38 -2.957 -7.390 8.503 1.00 61.12 C ATOM 603 C PRO A 38 -3.187 -6.633 7.218 1.00 24.41 C ATOM 604 O PRO A 38 -3.114 -5.411 7.199 1.00 11.25 O ATOM 605 CB PRO A 38 -1.608 -8.084 8.418 1.00 10.25 C ATOM 606 CG PRO A 38 -1.728 -9.281 9.275 1.00 1.43 C ATOM 607 CD PRO A 38 -3.182 -9.668 9.295 1.00 42.21 C ATOM 0 HA PRO A 38 -3.062 -6.639 9.286 1.00 61.12 H new ATOM 0 HB2 PRO A 38 -1.372 -8.359 7.390 1.00 10.25 H new ATOM 0 HB3 PRO A 38 -0.808 -7.431 8.765 1.00 10.25 H new ATOM 0 HG2 PRO A 38 -1.118 -10.096 8.886 1.00 1.43 H new ATOM 0 HG3 PRO A 38 -1.372 -9.070 10.283 1.00 1.43 H new ATOM 0 HD2 PRO A 38 -3.364 -10.554 8.687 1.00 42.21 H new ATOM 0 HD3 PRO A 38 -3.516 -9.901 10.306 1.00 42.21 H new ATOM 615 N ILE A 39 -3.495 -7.344 6.165 1.00 12.04 N ATOM 616 CA ILE A 39 -3.598 -6.739 4.859 1.00 54.14 C ATOM 617 C ILE A 39 -4.753 -5.755 4.800 1.00 51.33 C ATOM 618 O ILE A 39 -4.575 -4.620 4.358 1.00 51.44 O ATOM 619 CB ILE A 39 -3.744 -7.810 3.757 1.00 32.45 C ATOM 620 CG1 ILE A 39 -2.606 -8.850 3.879 1.00 73.21 C ATOM 621 CG2 ILE A 39 -3.756 -7.165 2.364 1.00 54.25 C ATOM 622 CD1 ILE A 39 -1.202 -8.264 3.825 1.00 33.11 C ATOM 0 H ILE A 39 -3.680 -8.347 6.185 1.00 12.04 H new ATOM 0 HA ILE A 39 -2.673 -6.190 4.679 1.00 54.14 H new ATOM 0 HB ILE A 39 -4.697 -8.322 3.890 1.00 32.45 H new ATOM 0 HG12 ILE A 39 -2.724 -9.390 4.819 1.00 73.21 H new ATOM 0 HG13 ILE A 39 -2.712 -9.580 3.077 1.00 73.21 H new ATOM 0 HG21 ILE A 39 -3.860 -7.940 1.605 1.00 54.25 H new ATOM 0 HG22 ILE A 39 -4.594 -6.472 2.291 1.00 54.25 H new ATOM 0 HG23 ILE A 39 -2.823 -6.624 2.205 1.00 54.25 H new ATOM 0 HD11 ILE A 39 -0.469 -9.066 3.918 1.00 33.11 H new ATOM 0 HD12 ILE A 39 -1.059 -7.750 2.875 1.00 33.11 H new ATOM 0 HD13 ILE A 39 -1.071 -7.556 4.644 1.00 33.11 H new ATOM 634 N ASN A 40 -5.916 -6.180 5.284 1.00 75.42 N ATOM 635 CA ASN A 40 -7.101 -5.374 5.292 1.00 41.44 C ATOM 636 C ASN A 40 -6.887 -4.108 6.107 1.00 52.11 C ATOM 637 O ASN A 40 -7.267 -3.010 5.698 1.00 52.51 O ATOM 638 CB ASN A 40 -8.221 -6.170 5.909 1.00 31.32 C ATOM 639 CG ASN A 40 -9.544 -5.565 5.623 1.00 53.01 C ATOM 640 OD1 ASN A 40 -10.055 -4.722 6.357 1.00 41.53 O ATOM 641 ND2 ASN A 40 -10.107 -5.994 4.553 1.00 3.14 N ATOM 0 H ASN A 40 -6.049 -7.109 5.684 1.00 75.42 H new ATOM 0 HA ASN A 40 -7.345 -5.092 4.268 1.00 41.44 H new ATOM 0 HB2 ASN A 40 -8.197 -7.190 5.526 1.00 31.32 H new ATOM 0 HB3 ASN A 40 -8.074 -6.231 6.987 1.00 31.32 H new ATOM 0 HD21 ASN A 40 -11.021 -5.634 4.278 1.00 3.14 H new ATOM 0 HD22 ASN A 40 -9.641 -6.695 3.977 1.00 3.14 H new ATOM 648 N GLN A 41 -6.252 -4.269 7.250 1.00 74.23 N ATOM 649 CA GLN A 41 -5.981 -3.157 8.140 1.00 51.30 C ATOM 650 C GLN A 41 -5.003 -2.160 7.496 1.00 21.04 C ATOM 651 O GLN A 41 -5.163 -0.951 7.639 1.00 51.42 O ATOM 652 CB GLN A 41 -5.428 -3.667 9.467 1.00 52.44 C ATOM 653 CG GLN A 41 -6.360 -4.617 10.233 1.00 23.44 C ATOM 654 CD GLN A 41 -7.671 -3.977 10.696 1.00 65.53 C ATOM 655 OE1 GLN A 41 -8.695 -4.642 10.800 1.00 23.05 O ATOM 656 NE2 GLN A 41 -7.638 -2.708 11.027 1.00 10.52 N ATOM 0 H GLN A 41 -5.911 -5.169 7.587 1.00 74.23 H new ATOM 0 HA GLN A 41 -6.918 -2.634 8.328 1.00 51.30 H new ATOM 0 HB2 GLN A 41 -4.485 -4.180 9.278 1.00 52.44 H new ATOM 0 HB3 GLN A 41 -5.203 -2.811 10.103 1.00 52.44 H new ATOM 0 HG2 GLN A 41 -6.591 -5.471 9.597 1.00 23.44 H new ATOM 0 HG3 GLN A 41 -5.830 -5.003 11.104 1.00 23.44 H new ATOM 0 HE21 GLN A 41 -6.772 -2.178 10.930 1.00 10.52 H new ATOM 0 HE22 GLN A 41 -8.478 -2.251 11.381 1.00 10.52 H new ATOM 665 N ILE A 42 -4.003 -2.674 6.781 1.00 11.02 N ATOM 666 CA ILE A 42 -3.027 -1.818 6.112 1.00 11.22 C ATOM 667 C ILE A 42 -3.657 -1.094 4.916 1.00 33.31 C ATOM 668 O ILE A 42 -3.511 0.125 4.779 1.00 62.53 O ATOM 669 CB ILE A 42 -1.733 -2.584 5.681 1.00 30.24 C ATOM 670 CG1 ILE A 42 -1.015 -3.151 6.923 1.00 25.35 C ATOM 671 CG2 ILE A 42 -0.791 -1.657 4.897 1.00 24.31 C ATOM 672 CD1 ILE A 42 0.233 -3.964 6.611 1.00 63.53 C ATOM 0 H ILE A 42 -3.849 -3.674 6.651 1.00 11.02 H new ATOM 0 HA ILE A 42 -2.717 -1.075 6.847 1.00 11.22 H new ATOM 0 HB ILE A 42 -2.019 -3.411 5.031 1.00 30.24 H new ATOM 0 HG12 ILE A 42 -0.741 -2.324 7.578 1.00 25.35 H new ATOM 0 HG13 ILE A 42 -1.714 -3.778 7.477 1.00 25.35 H new ATOM 0 HG21 ILE A 42 0.103 -2.208 4.606 1.00 24.31 H new ATOM 0 HG22 ILE A 42 -1.299 -1.293 4.004 1.00 24.31 H new ATOM 0 HG23 ILE A 42 -0.508 -0.811 5.524 1.00 24.31 H new ATOM 0 HD11 ILE A 42 0.674 -4.324 7.540 1.00 63.53 H new ATOM 0 HD12 ILE A 42 -0.034 -4.814 5.983 1.00 63.53 H new ATOM 0 HD13 ILE A 42 0.954 -3.337 6.086 1.00 63.53 H new ATOM 684 N VAL A 43 -4.382 -1.826 4.065 1.00 5.52 N ATOM 685 CA VAL A 43 -5.047 -1.189 2.931 1.00 22.30 C ATOM 686 C VAL A 43 -6.101 -0.176 3.427 1.00 32.01 C ATOM 687 O VAL A 43 -6.278 0.889 2.846 1.00 52.43 O ATOM 688 CB VAL A 43 -5.639 -2.215 1.877 1.00 42.02 C ATOM 689 CG1 VAL A 43 -6.596 -3.195 2.522 1.00 64.54 C ATOM 690 CG2 VAL A 43 -6.363 -1.483 0.763 1.00 65.43 C ATOM 0 H VAL A 43 -4.520 -2.834 4.138 1.00 5.52 H new ATOM 0 HA VAL A 43 -4.281 -0.645 2.379 1.00 22.30 H new ATOM 0 HB VAL A 43 -4.794 -2.769 1.468 1.00 42.02 H new ATOM 0 HG11 VAL A 43 -6.979 -3.880 1.766 1.00 64.54 H new ATOM 0 HG12 VAL A 43 -6.073 -3.761 3.293 1.00 64.54 H new ATOM 0 HG13 VAL A 43 -7.426 -2.650 2.972 1.00 64.54 H new ATOM 0 HG21 VAL A 43 -6.761 -2.206 0.051 1.00 65.43 H new ATOM 0 HG22 VAL A 43 -7.182 -0.899 1.183 1.00 65.43 H new ATOM 0 HG23 VAL A 43 -5.667 -0.817 0.253 1.00 65.43 H new ATOM 700 N GLY A 44 -6.755 -0.501 4.521 1.00 2.40 N ATOM 701 CA GLY A 44 -7.691 0.420 5.129 1.00 71.21 C ATOM 702 C GLY A 44 -6.986 1.659 5.679 1.00 5.51 C ATOM 703 O GLY A 44 -7.546 2.763 5.676 1.00 32.13 O ATOM 0 H GLY A 44 -6.657 -1.393 5.006 1.00 2.40 H new ATOM 0 HA2 GLY A 44 -8.436 0.722 4.392 1.00 71.21 H new ATOM 0 HA3 GLY A 44 -8.225 -0.083 5.935 1.00 71.21 H new ATOM 707 N TYR A 45 -5.749 1.475 6.137 1.00 2.52 N ATOM 708 CA TYR A 45 -4.967 2.564 6.686 1.00 31.12 C ATOM 709 C TYR A 45 -4.587 3.596 5.642 1.00 44.30 C ATOM 710 O TYR A 45 -4.910 4.748 5.802 1.00 20.15 O ATOM 711 CB TYR A 45 -3.694 2.065 7.413 1.00 30.44 C ATOM 712 CG TYR A 45 -2.764 3.198 7.871 1.00 52.31 C ATOM 713 CD1 TYR A 45 -1.669 3.587 7.095 1.00 64.02 C ATOM 714 CD2 TYR A 45 -2.992 3.883 9.054 1.00 12.42 C ATOM 715 CE1 TYR A 45 -0.839 4.614 7.488 1.00 22.05 C ATOM 716 CE2 TYR A 45 -2.158 4.915 9.455 1.00 52.15 C ATOM 717 CZ TYR A 45 -1.084 5.273 8.667 1.00 22.13 C ATOM 718 OH TYR A 45 -0.258 6.301 9.058 1.00 1.14 O ATOM 0 H TYR A 45 -5.271 0.574 6.135 1.00 2.52 H new ATOM 0 HA TYR A 45 -5.618 3.044 7.416 1.00 31.12 H new ATOM 0 HB2 TYR A 45 -3.989 1.475 8.281 1.00 30.44 H new ATOM 0 HB3 TYR A 45 -3.143 1.400 6.748 1.00 30.44 H new ATOM 0 HD1 TYR A 45 -1.469 3.072 6.167 1.00 64.02 H new ATOM 0 HD2 TYR A 45 -3.833 3.608 9.673 1.00 12.42 H new ATOM 0 HE1 TYR A 45 0.001 4.899 6.871 1.00 22.05 H new ATOM 0 HE2 TYR A 45 -2.348 5.437 10.381 1.00 52.15 H new ATOM 0 HH TYR A 45 0.109 6.745 8.265 1.00 1.14 H new ATOM 728 N LEU A 46 -3.926 3.186 4.562 1.00 32.00 N ATOM 729 CA LEU A 46 -3.392 4.181 3.615 1.00 43.05 C ATOM 730 C LEU A 46 -4.437 5.046 2.931 1.00 62.12 C ATOM 731 O LEU A 46 -4.237 6.254 2.803 1.00 4.34 O ATOM 732 CB LEU A 46 -2.355 3.645 2.606 1.00 44.04 C ATOM 733 CG LEU A 46 -1.002 3.175 3.175 1.00 53.11 C ATOM 734 CD1 LEU A 46 -1.083 1.814 3.826 1.00 11.11 C ATOM 735 CD2 LEU A 46 0.080 3.234 2.121 1.00 70.00 C ATOM 0 H LEU A 46 -3.748 2.211 4.320 1.00 32.00 H new ATOM 0 HA LEU A 46 -2.842 4.840 4.287 1.00 43.05 H new ATOM 0 HB2 LEU A 46 -2.805 2.810 2.069 1.00 44.04 H new ATOM 0 HB3 LEU A 46 -2.160 4.427 1.873 1.00 44.04 H new ATOM 0 HG LEU A 46 -0.732 3.871 3.969 1.00 53.11 H new ATOM 0 HD11 LEU A 46 -0.101 1.535 4.208 1.00 11.11 H new ATOM 0 HD12 LEU A 46 -1.797 1.846 4.649 1.00 11.11 H new ATOM 0 HD13 LEU A 46 -1.409 1.078 3.091 1.00 11.11 H new ATOM 0 HD21 LEU A 46 1.024 2.897 2.549 1.00 70.00 H new ATOM 0 HD22 LEU A 46 -0.190 2.588 1.285 1.00 70.00 H new ATOM 0 HD23 LEU A 46 0.188 4.259 1.767 1.00 70.00 H new ATOM 747 N LEU A 47 -5.551 4.463 2.521 1.00 54.50 N ATOM 748 CA LEU A 47 -6.576 5.235 1.838 1.00 31.30 C ATOM 749 C LEU A 47 -7.308 6.217 2.753 1.00 61.11 C ATOM 750 O LEU A 47 -7.972 7.135 2.271 1.00 73.45 O ATOM 751 CB LEU A 47 -7.581 4.349 1.088 1.00 45.52 C ATOM 752 CG LEU A 47 -7.063 3.550 -0.123 1.00 12.13 C ATOM 753 CD1 LEU A 47 -6.357 4.442 -1.117 1.00 50.12 C ATOM 754 CD2 LEU A 47 -6.191 2.389 0.266 1.00 72.00 C ATOM 0 H LEU A 47 -5.767 3.474 2.646 1.00 54.50 H new ATOM 0 HA LEU A 47 -6.032 5.827 1.102 1.00 31.30 H new ATOM 0 HB2 LEU A 47 -8.003 3.641 1.802 1.00 45.52 H new ATOM 0 HB3 LEU A 47 -8.399 4.984 0.747 1.00 45.52 H new ATOM 0 HG LEU A 47 -7.947 3.131 -0.604 1.00 12.13 H new ATOM 0 HD11 LEU A 47 -6.005 3.843 -1.957 1.00 50.12 H new ATOM 0 HD12 LEU A 47 -7.048 5.203 -1.478 1.00 50.12 H new ATOM 0 HD13 LEU A 47 -5.507 4.924 -0.634 1.00 50.12 H new ATOM 0 HD21 LEU A 47 -5.859 1.867 -0.631 1.00 72.00 H new ATOM 0 HD22 LEU A 47 -5.324 2.754 0.816 1.00 72.00 H new ATOM 0 HD23 LEU A 47 -6.758 1.703 0.896 1.00 72.00 H new ATOM 766 N SER A 48 -7.209 6.038 4.048 1.00 2.05 N ATOM 767 CA SER A 48 -7.882 6.946 4.956 1.00 74.43 C ATOM 768 C SER A 48 -6.882 7.756 5.793 1.00 15.11 C ATOM 769 O SER A 48 -7.176 8.864 6.226 1.00 64.33 O ATOM 770 CB SER A 48 -8.850 6.163 5.838 1.00 75.33 C ATOM 771 OG SER A 48 -9.781 5.448 5.023 1.00 60.52 O ATOM 0 H SER A 48 -6.681 5.288 4.494 1.00 2.05 H new ATOM 0 HA SER A 48 -8.450 7.668 4.369 1.00 74.43 H new ATOM 0 HB2 SER A 48 -8.298 5.468 6.470 1.00 75.33 H new ATOM 0 HB3 SER A 48 -9.383 6.844 6.502 1.00 75.33 H new ATOM 0 HG SER A 48 -10.398 4.946 5.595 1.00 60.52 H new ATOM 777 N GLY A 49 -5.686 7.213 5.968 1.00 35.44 N ATOM 778 CA GLY A 49 -4.654 7.857 6.754 1.00 65.51 C ATOM 779 C GLY A 49 -5.037 7.934 8.204 1.00 51.41 C ATOM 780 O GLY A 49 -4.738 8.913 8.873 1.00 60.31 O ATOM 0 H GLY A 49 -5.408 6.316 5.569 1.00 35.44 H new ATOM 0 HA2 GLY A 49 -3.719 7.305 6.652 1.00 65.51 H new ATOM 0 HA3 GLY A 49 -4.475 8.861 6.370 1.00 65.51 H new ATOM 784 N ASP A 50 -5.689 6.898 8.694 1.00 75.45 N ATOM 785 CA ASP A 50 -6.193 6.924 10.046 1.00 13.13 C ATOM 786 C ASP A 50 -5.479 5.888 10.891 1.00 53.20 C ATOM 787 O ASP A 50 -5.501 4.696 10.562 1.00 25.21 O ATOM 788 CB ASP A 50 -7.677 6.637 10.059 1.00 51.12 C ATOM 789 CG ASP A 50 -8.314 7.042 11.360 1.00 60.41 C ATOM 790 OD1 ASP A 50 -8.965 8.110 11.388 1.00 23.15 O ATOM 791 OD2 ASP A 50 -8.184 6.316 12.375 1.00 74.32 O ATOM 0 H ASP A 50 -5.879 6.038 8.180 1.00 75.45 H new ATOM 0 HA ASP A 50 -6.013 7.917 10.459 1.00 13.13 H new ATOM 0 HB2 ASP A 50 -8.157 7.170 9.238 1.00 51.12 H new ATOM 0 HB3 ASP A 50 -7.843 5.573 9.889 1.00 51.12 H new ATOM 796 N PRO A 51 -4.857 6.313 11.997 1.00 3.05 N ATOM 797 CA PRO A 51 -4.075 5.428 12.871 1.00 4.20 C ATOM 798 C PRO A 51 -4.885 4.288 13.510 1.00 14.23 C ATOM 799 O PRO A 51 -4.317 3.255 13.859 1.00 32.13 O ATOM 800 CB PRO A 51 -3.508 6.357 13.949 1.00 31.23 C ATOM 801 CG PRO A 51 -3.679 7.740 13.413 1.00 61.41 C ATOM 802 CD PRO A 51 -4.859 7.700 12.499 1.00 33.44 C ATOM 0 HA PRO A 51 -3.312 4.910 12.290 1.00 4.20 H new ATOM 0 HB2 PRO A 51 -4.039 6.233 14.893 1.00 31.23 H new ATOM 0 HB3 PRO A 51 -2.458 6.138 14.143 1.00 31.23 H new ATOM 0 HG2 PRO A 51 -3.840 8.452 14.222 1.00 61.41 H new ATOM 0 HG3 PRO A 51 -2.785 8.062 12.878 1.00 61.41 H new ATOM 0 HD2 PRO A 51 -5.784 7.935 13.026 1.00 33.44 H new ATOM 0 HD3 PRO A 51 -4.763 8.421 11.687 1.00 33.44 H new ATOM 810 N ALA A 52 -6.207 4.469 13.644 1.00 42.24 N ATOM 811 CA ALA A 52 -7.071 3.475 14.310 1.00 41.20 C ATOM 812 C ALA A 52 -7.091 2.125 13.595 1.00 31.11 C ATOM 813 O ALA A 52 -7.544 1.122 14.160 1.00 20.30 O ATOM 814 CB ALA A 52 -8.480 3.999 14.486 1.00 52.02 C ATOM 0 H ALA A 52 -6.703 5.292 13.302 1.00 42.24 H new ATOM 0 HA ALA A 52 -6.632 3.308 15.294 1.00 41.20 H new ATOM 0 HB1 ALA A 52 -9.090 3.243 14.979 1.00 52.02 H new ATOM 0 HB2 ALA A 52 -8.459 4.902 15.095 1.00 52.02 H new ATOM 0 HB3 ALA A 52 -8.907 4.230 13.510 1.00 52.02 H new ATOM 820 N TYR A 53 -6.612 2.096 12.360 1.00 12.21 N ATOM 821 CA TYR A 53 -6.513 0.858 11.624 1.00 75.01 C ATOM 822 C TYR A 53 -5.399 -0.034 12.145 1.00 13.11 C ATOM 823 O TYR A 53 -5.394 -1.240 11.889 1.00 44.24 O ATOM 824 CB TYR A 53 -6.402 1.088 10.125 1.00 52.52 C ATOM 825 CG TYR A 53 -7.720 1.472 9.535 1.00 30.42 C ATOM 826 CD1 TYR A 53 -8.662 0.497 9.288 1.00 73.54 C ATOM 827 CD2 TYR A 53 -8.041 2.788 9.244 1.00 70.10 C ATOM 828 CE1 TYR A 53 -9.886 0.799 8.770 1.00 20.13 C ATOM 829 CE2 TYR A 53 -9.280 3.111 8.716 1.00 63.43 C ATOM 830 CZ TYR A 53 -10.201 2.105 8.481 1.00 31.24 C ATOM 831 OH TYR A 53 -11.444 2.409 7.960 1.00 14.12 O ATOM 0 H TYR A 53 -6.288 2.919 11.852 1.00 12.21 H new ATOM 0 HA TYR A 53 -7.448 0.324 11.793 1.00 75.01 H new ATOM 0 HB2 TYR A 53 -5.671 1.872 9.929 1.00 52.52 H new ATOM 0 HB3 TYR A 53 -6.035 0.182 9.642 1.00 52.52 H new ATOM 0 HD1 TYR A 53 -8.424 -0.533 9.511 1.00 73.54 H new ATOM 0 HD2 TYR A 53 -7.319 3.569 9.431 1.00 70.10 H new ATOM 0 HE1 TYR A 53 -10.606 0.015 8.587 1.00 20.13 H new ATOM 0 HE2 TYR A 53 -9.525 4.138 8.490 1.00 63.43 H new ATOM 0 HH TYR A 53 -11.509 3.376 7.812 1.00 14.12 H new ATOM 841 N ILE A 54 -4.462 0.551 12.874 1.00 1.04 N ATOM 842 CA ILE A 54 -3.409 -0.220 13.489 1.00 33.40 C ATOM 843 C ILE A 54 -3.630 -0.205 15.002 1.00 75.31 C ATOM 844 O ILE A 54 -3.484 0.835 15.651 1.00 45.10 O ATOM 845 CB ILE A 54 -1.982 0.321 13.158 1.00 10.21 C ATOM 846 CG1 ILE A 54 -1.814 0.499 11.635 1.00 75.12 C ATOM 847 CG2 ILE A 54 -0.916 -0.637 13.701 1.00 33.11 C ATOM 848 CD1 ILE A 54 -2.066 -0.759 10.811 1.00 52.13 C ATOM 0 H ILE A 54 -4.414 1.555 13.050 1.00 1.04 H new ATOM 0 HA ILE A 54 -3.454 -1.233 13.089 1.00 33.40 H new ATOM 0 HB ILE A 54 -1.858 1.293 13.636 1.00 10.21 H new ATOM 0 HG12 ILE A 54 -2.496 1.280 11.298 1.00 75.12 H new ATOM 0 HG13 ILE A 54 -0.802 0.851 11.434 1.00 75.12 H new ATOM 0 HG21 ILE A 54 0.075 -0.250 13.465 1.00 33.11 H new ATOM 0 HG22 ILE A 54 -1.023 -0.725 14.782 1.00 33.11 H new ATOM 0 HG23 ILE A 54 -1.041 -1.618 13.243 1.00 33.11 H new ATOM 0 HD11 ILE A 54 -1.924 -0.536 9.754 1.00 52.13 H new ATOM 0 HD12 ILE A 54 -1.367 -1.539 11.114 1.00 52.13 H new ATOM 0 HD13 ILE A 54 -3.087 -1.103 10.975 1.00 52.13 H new ATOM 860 N PRO A 55 -4.033 -1.339 15.569 1.00 63.13 N ATOM 861 CA PRO A 55 -4.312 -1.463 16.994 1.00 22.20 C ATOM 862 C PRO A 55 -3.073 -1.281 17.847 1.00 63.23 C ATOM 863 O PRO A 55 -1.941 -1.564 17.413 1.00 5.11 O ATOM 864 CB PRO A 55 -4.829 -2.893 17.151 1.00 71.44 C ATOM 865 CG PRO A 55 -5.131 -3.355 15.784 1.00 70.22 C ATOM 866 CD PRO A 55 -4.251 -2.588 14.866 1.00 13.40 C ATOM 0 HA PRO A 55 -5.015 -0.697 17.321 1.00 22.20 H new ATOM 0 HB2 PRO A 55 -4.082 -3.530 17.625 1.00 71.44 H new ATOM 0 HB3 PRO A 55 -5.718 -2.922 17.780 1.00 71.44 H new ATOM 0 HG2 PRO A 55 -4.949 -4.425 15.689 1.00 70.22 H new ATOM 0 HG3 PRO A 55 -6.181 -3.187 15.543 1.00 70.22 H new ATOM 0 HD2 PRO A 55 -3.314 -3.112 14.678 1.00 13.40 H new ATOM 0 HD3 PRO A 55 -4.725 -2.426 13.898 1.00 13.40 H new ATOM 874 N ARG A 56 -3.278 -0.853 19.061 1.00 41.32 N ATOM 875 CA ARG A 56 -2.183 -0.619 19.960 1.00 23.21 C ATOM 876 C ARG A 56 -1.745 -1.897 20.672 1.00 43.54 C ATOM 877 O ARG A 56 -2.028 -2.122 21.846 1.00 72.43 O ATOM 878 CB ARG A 56 -2.469 0.525 20.942 1.00 2.43 C ATOM 879 CG ARG A 56 -3.729 0.343 21.770 1.00 31.24 C ATOM 880 CD ARG A 56 -3.930 1.490 22.722 1.00 30.12 C ATOM 881 NE ARG A 56 -5.129 1.308 23.532 1.00 12.23 N ATOM 882 CZ ARG A 56 -5.518 2.114 24.511 1.00 41.24 C ATOM 883 NH1 ARG A 56 -4.849 3.228 24.773 1.00 73.25 N ATOM 884 NH2 ARG A 56 -6.600 1.822 25.209 1.00 24.41 N ATOM 0 H ARG A 56 -4.199 -0.658 19.453 1.00 41.32 H new ATOM 0 HA ARG A 56 -1.340 -0.295 19.349 1.00 23.21 H new ATOM 0 HB2 ARG A 56 -1.619 0.630 21.616 1.00 2.43 H new ATOM 0 HB3 ARG A 56 -2.549 1.457 20.382 1.00 2.43 H new ATOM 0 HG2 ARG A 56 -4.592 0.261 21.109 1.00 31.24 H new ATOM 0 HG3 ARG A 56 -3.667 -0.590 22.330 1.00 31.24 H new ATOM 0 HD2 ARG A 56 -3.060 1.581 23.373 1.00 30.12 H new ATOM 0 HD3 ARG A 56 -4.007 2.421 22.161 1.00 30.12 H new ATOM 0 HE ARG A 56 -5.714 0.497 23.330 1.00 12.23 H new ATOM 0 HH11 ARG A 56 -4.027 3.472 24.220 1.00 73.25 H new ATOM 0 HH12 ARG A 56 -5.156 3.842 25.528 1.00 73.25 H new ATOM 0 HH21 ARG A 56 -7.133 0.979 24.995 1.00 24.41 H new ATOM 0 HH22 ARG A 56 -6.903 2.439 25.963 1.00 24.41 H new ATOM 898 N TYR A 57 -1.155 -2.784 19.917 1.00 33.42 N ATOM 899 CA TYR A 57 -0.586 -3.976 20.490 1.00 4.20 C ATOM 900 C TYR A 57 0.853 -3.748 20.855 1.00 33.44 C ATOM 901 O TYR A 57 1.318 -4.174 21.908 1.00 41.11 O ATOM 902 CB TYR A 57 -0.696 -5.172 19.538 1.00 55.13 C ATOM 903 CG TYR A 57 0.010 -6.414 20.066 1.00 43.23 C ATOM 904 CD1 TYR A 57 -0.419 -7.037 21.230 1.00 71.44 C ATOM 905 CD2 TYR A 57 1.129 -6.936 19.419 1.00 10.42 C ATOM 906 CE1 TYR A 57 0.234 -8.140 21.732 1.00 35.14 C ATOM 907 CE2 TYR A 57 1.792 -8.040 19.921 1.00 24.43 C ATOM 908 CZ TYR A 57 1.337 -8.637 21.079 1.00 51.42 C ATOM 909 OH TYR A 57 1.994 -9.733 21.595 1.00 64.44 O ATOM 0 H TYR A 57 -1.055 -2.705 18.905 1.00 33.42 H new ATOM 0 HA TYR A 57 -1.156 -4.207 21.390 1.00 4.20 H new ATOM 0 HB2 TYR A 57 -1.748 -5.402 19.370 1.00 55.13 H new ATOM 0 HB3 TYR A 57 -0.271 -4.901 18.571 1.00 55.13 H new ATOM 0 HD1 TYR A 57 -1.281 -6.649 21.752 1.00 71.44 H new ATOM 0 HD2 TYR A 57 1.483 -6.470 18.511 1.00 10.42 H new ATOM 0 HE1 TYR A 57 -0.119 -8.614 22.636 1.00 35.14 H new ATOM 0 HE2 TYR A 57 2.659 -8.432 19.411 1.00 24.43 H new ATOM 0 HH TYR A 57 2.752 -9.962 21.017 1.00 64.44 H new ATOM 919 N GLN A 58 1.548 -3.062 20.003 1.00 44.04 N ATOM 920 CA GLN A 58 2.944 -2.885 20.179 1.00 45.35 C ATOM 921 C GLN A 58 3.283 -1.492 19.664 1.00 41.10 C ATOM 922 O GLN A 58 2.389 -0.766 19.204 1.00 51.01 O ATOM 923 CB GLN A 58 3.669 -3.947 19.328 1.00 31.05 C ATOM 924 CG GLN A 58 5.069 -4.308 19.793 1.00 24.22 C ATOM 925 CD GLN A 58 5.798 -5.168 18.798 1.00 50.32 C ATOM 926 OE1 GLN A 58 5.698 -6.394 18.813 1.00 70.25 O ATOM 927 NE2 GLN A 58 6.590 -4.542 17.971 1.00 43.43 N ATOM 0 H GLN A 58 1.161 -2.614 19.172 1.00 44.04 H new ATOM 0 HA GLN A 58 3.244 -2.989 21.222 1.00 45.35 H new ATOM 0 HB2 GLN A 58 3.064 -4.853 19.315 1.00 31.05 H new ATOM 0 HB3 GLN A 58 3.727 -3.588 18.301 1.00 31.05 H new ATOM 0 HG2 GLN A 58 5.638 -3.395 19.966 1.00 24.22 H new ATOM 0 HG3 GLN A 58 5.009 -4.832 20.747 1.00 24.22 H new ATOM 0 HE21 GLN A 58 6.645 -3.524 17.990 1.00 43.43 H new ATOM 0 HE22 GLN A 58 7.154 -5.071 17.306 1.00 43.43 H new ATOM 936 N ASP A 59 4.556 -1.150 19.691 1.00 11.35 N ATOM 937 CA ASP A 59 5.092 0.131 19.194 1.00 35.23 C ATOM 938 C ASP A 59 4.846 0.289 17.696 1.00 45.43 C ATOM 939 O ASP A 59 5.050 1.355 17.151 1.00 64.32 O ATOM 940 CB ASP A 59 6.595 0.239 19.477 1.00 4.32 C ATOM 941 CG ASP A 59 7.400 -0.810 18.742 1.00 42.22 C ATOM 942 OD1 ASP A 59 8.263 -0.457 17.934 1.00 74.43 O ATOM 943 OD2 ASP A 59 7.153 -2.008 18.963 1.00 20.42 O ATOM 0 H ASP A 59 5.278 -1.764 20.068 1.00 11.35 H new ATOM 0 HA ASP A 59 4.569 0.928 19.722 1.00 35.23 H new ATOM 0 HB2 ASP A 59 6.946 1.230 19.188 1.00 4.32 H new ATOM 0 HB3 ASP A 59 6.768 0.140 20.549 1.00 4.32 H new ATOM 948 N ALA A 60 4.425 -0.800 17.047 1.00 64.12 N ATOM 949 CA ALA A 60 4.132 -0.836 15.613 1.00 31.12 C ATOM 950 C ALA A 60 3.224 0.326 15.179 1.00 24.32 C ATOM 951 O ALA A 60 3.444 0.917 14.121 1.00 52.40 O ATOM 952 CB ALA A 60 3.488 -2.166 15.248 1.00 2.22 C ATOM 0 H ALA A 60 4.276 -1.696 17.512 1.00 64.12 H new ATOM 0 HA ALA A 60 5.077 -0.728 15.082 1.00 31.12 H new ATOM 0 HB1 ALA A 60 3.273 -2.185 14.180 1.00 2.22 H new ATOM 0 HB2 ALA A 60 4.169 -2.980 15.496 1.00 2.22 H new ATOM 0 HB3 ALA A 60 2.560 -2.286 15.807 1.00 2.22 H new ATOM 958 N ARG A 61 2.216 0.664 16.004 1.00 42.41 N ATOM 959 CA ARG A 61 1.350 1.795 15.702 1.00 65.35 C ATOM 960 C ARG A 61 2.160 3.096 15.685 1.00 72.51 C ATOM 961 O ARG A 61 1.952 3.942 14.850 1.00 64.25 O ATOM 962 CB ARG A 61 0.173 1.900 16.692 1.00 50.54 C ATOM 963 CG ARG A 61 -0.790 3.047 16.369 1.00 31.31 C ATOM 964 CD ARG A 61 -1.973 3.118 17.331 1.00 54.11 C ATOM 965 NE ARG A 61 -1.584 3.401 18.722 1.00 32.15 N ATOM 966 CZ ARG A 61 -2.431 3.840 19.675 1.00 5.23 C ATOM 967 NH1 ARG A 61 -3.719 4.020 19.395 1.00 5.02 N ATOM 968 NH2 ARG A 61 -1.984 4.088 20.904 1.00 51.14 N ATOM 0 H ARG A 61 1.991 0.173 16.869 1.00 42.41 H new ATOM 0 HA ARG A 61 0.925 1.629 14.712 1.00 65.35 H new ATOM 0 HB2 ARG A 61 -0.379 0.960 16.690 1.00 50.54 H new ATOM 0 HB3 ARG A 61 0.566 2.037 17.699 1.00 50.54 H new ATOM 0 HG2 ARG A 61 -0.246 3.991 16.400 1.00 31.31 H new ATOM 0 HG3 ARG A 61 -1.162 2.927 15.352 1.00 31.31 H new ATOM 0 HD2 ARG A 61 -2.662 3.891 16.991 1.00 54.11 H new ATOM 0 HD3 ARG A 61 -2.514 2.172 17.299 1.00 54.11 H new ATOM 0 HE ARG A 61 -0.609 3.255 18.982 1.00 32.15 H new ATOM 0 HH11 ARG A 61 -4.069 3.826 18.457 1.00 5.02 H new ATOM 0 HH12 ARG A 61 -4.357 4.352 20.119 1.00 5.02 H new ATOM 0 HH21 ARG A 61 -0.999 3.946 21.127 1.00 51.14 H new ATOM 0 HH22 ARG A 61 -2.627 4.420 21.623 1.00 51.14 H new ATOM 982 N ASN A 62 3.111 3.217 16.587 1.00 4.44 N ATOM 983 CA ASN A 62 3.957 4.407 16.655 1.00 2.23 C ATOM 984 C ASN A 62 4.936 4.417 15.504 1.00 11.32 C ATOM 985 O ASN A 62 5.275 5.471 14.976 1.00 53.20 O ATOM 986 CB ASN A 62 4.704 4.494 17.987 1.00 50.21 C ATOM 987 CG ASN A 62 3.779 4.658 19.171 1.00 13.23 C ATOM 988 OD1 ASN A 62 3.324 3.677 19.758 1.00 25.41 O ATOM 989 ND2 ASN A 62 3.494 5.884 19.539 1.00 64.41 N ATOM 0 H ASN A 62 3.324 2.508 17.289 1.00 4.44 H new ATOM 0 HA ASN A 62 3.309 5.280 16.582 1.00 2.23 H new ATOM 0 HB2 ASN A 62 5.302 3.593 18.122 1.00 50.21 H new ATOM 0 HB3 ASN A 62 5.397 5.335 17.955 1.00 50.21 H new ATOM 0 HD21 ASN A 62 2.877 6.047 20.335 1.00 64.41 H new ATOM 0 HD22 ASN A 62 3.889 6.674 19.029 1.00 64.41 H new ATOM 996 N LEU A 63 5.377 3.234 15.107 1.00 11.44 N ATOM 997 CA LEU A 63 6.286 3.086 13.983 1.00 4.21 C ATOM 998 C LEU A 63 5.617 3.523 12.691 1.00 50.31 C ATOM 999 O LEU A 63 6.228 4.171 11.855 1.00 63.43 O ATOM 1000 CB LEU A 63 6.773 1.643 13.840 1.00 60.11 C ATOM 1001 CG LEU A 63 7.531 1.046 15.020 1.00 0.44 C ATOM 1002 CD1 LEU A 63 7.983 -0.368 14.688 1.00 63.31 C ATOM 1003 CD2 LEU A 63 8.718 1.915 15.396 1.00 54.50 C ATOM 0 H LEU A 63 5.116 2.354 15.552 1.00 11.44 H new ATOM 0 HA LEU A 63 7.147 3.724 14.179 1.00 4.21 H new ATOM 0 HB2 LEU A 63 5.907 1.012 13.640 1.00 60.11 H new ATOM 0 HB3 LEU A 63 7.417 1.589 12.962 1.00 60.11 H new ATOM 0 HG LEU A 63 6.861 1.006 15.879 1.00 0.44 H new ATOM 0 HD11 LEU A 63 8.524 -0.786 15.537 1.00 63.31 H new ATOM 0 HD12 LEU A 63 7.112 -0.987 14.472 1.00 63.31 H new ATOM 0 HD13 LEU A 63 8.637 -0.346 13.817 1.00 63.31 H new ATOM 0 HD21 LEU A 63 9.243 1.468 16.240 1.00 54.50 H new ATOM 0 HD22 LEU A 63 9.396 1.992 14.546 1.00 54.50 H new ATOM 0 HD23 LEU A 63 8.368 2.910 15.672 1.00 54.50 H new ATOM 1015 N ILE A 64 4.362 3.176 12.526 1.00 24.44 N ATOM 1016 CA ILE A 64 3.660 3.563 11.323 1.00 64.44 C ATOM 1017 C ILE A 64 3.244 5.049 11.430 1.00 63.33 C ATOM 1018 O ILE A 64 3.176 5.756 10.441 1.00 75.40 O ATOM 1019 CB ILE A 64 2.450 2.615 11.030 1.00 74.31 C ATOM 1020 CG1 ILE A 64 1.890 2.839 9.623 1.00 24.44 C ATOM 1021 CG2 ILE A 64 1.351 2.790 12.067 1.00 31.01 C ATOM 1022 CD1 ILE A 64 0.792 1.859 9.244 1.00 63.34 C ATOM 0 H ILE A 64 3.813 2.636 13.195 1.00 24.44 H new ATOM 0 HA ILE A 64 4.327 3.459 10.467 1.00 64.44 H new ATOM 0 HB ILE A 64 2.822 1.592 11.089 1.00 74.31 H new ATOM 0 HG12 ILE A 64 1.500 3.854 9.553 1.00 24.44 H new ATOM 0 HG13 ILE A 64 2.702 2.760 8.900 1.00 24.44 H new ATOM 0 HG21 ILE A 64 0.524 2.119 11.837 1.00 31.01 H new ATOM 0 HG22 ILE A 64 1.744 2.556 13.057 1.00 31.01 H new ATOM 0 HG23 ILE A 64 0.997 3.821 12.051 1.00 31.01 H new ATOM 0 HD11 ILE A 64 0.442 2.077 8.235 1.00 63.34 H new ATOM 0 HD12 ILE A 64 1.183 0.842 9.281 1.00 63.34 H new ATOM 0 HD13 ILE A 64 -0.038 1.954 9.944 1.00 63.34 H new ATOM 1034 N ARG A 65 3.044 5.505 12.670 1.00 3.01 N ATOM 1035 CA ARG A 65 2.722 6.901 12.977 1.00 63.04 C ATOM 1036 C ARG A 65 3.892 7.851 12.758 1.00 50.01 C ATOM 1037 O ARG A 65 3.697 9.060 12.659 1.00 35.35 O ATOM 1038 CB ARG A 65 2.181 7.031 14.394 1.00 61.25 C ATOM 1039 CG ARG A 65 0.705 6.711 14.506 1.00 54.21 C ATOM 1040 CD ARG A 65 -0.101 7.829 13.887 1.00 4.11 C ATOM 1041 NE ARG A 65 0.120 9.081 14.619 1.00 24.21 N ATOM 1042 CZ ARG A 65 0.538 10.238 14.085 1.00 20.11 C ATOM 1043 NH1 ARG A 65 0.806 10.331 12.778 1.00 1.53 N ATOM 1044 NH2 ARG A 65 0.708 11.290 14.866 1.00 45.03 N ATOM 0 H ARG A 65 3.102 4.910 13.496 1.00 3.01 H new ATOM 0 HA ARG A 65 1.948 7.199 12.270 1.00 63.04 H new ATOM 0 HB2 ARG A 65 2.740 6.365 15.051 1.00 61.25 H new ATOM 0 HB3 ARG A 65 2.353 8.047 14.749 1.00 61.25 H new ATOM 0 HG2 ARG A 65 0.487 5.769 14.003 1.00 54.21 H new ATOM 0 HG3 ARG A 65 0.428 6.585 15.553 1.00 54.21 H new ATOM 0 HD2 ARG A 65 0.183 7.956 12.842 1.00 4.11 H new ATOM 0 HD3 ARG A 65 -1.161 7.574 13.901 1.00 4.11 H new ATOM 0 HE ARG A 65 -0.060 9.071 15.623 1.00 24.21 H new ATOM 0 HH11 ARG A 65 0.693 9.516 12.175 1.00 1.53 H new ATOM 0 HH12 ARG A 65 1.123 11.217 12.384 1.00 1.53 H new ATOM 0 HH21 ARG A 65 0.522 11.218 15.866 1.00 45.03 H new ATOM 0 HH22 ARG A 65 1.026 12.174 14.469 1.00 45.03 H new ATOM 1058 N ARG A 66 5.108 7.321 12.689 1.00 42.42 N ATOM 1059 CA ARG A 66 6.255 8.171 12.383 1.00 45.44 C ATOM 1060 C ARG A 66 6.403 8.279 10.868 1.00 51.21 C ATOM 1061 O ARG A 66 7.341 8.866 10.352 1.00 24.13 O ATOM 1062 CB ARG A 66 7.561 7.672 13.050 1.00 3.43 C ATOM 1063 CG ARG A 66 8.095 6.352 12.536 1.00 2.41 C ATOM 1064 CD ARG A 66 9.338 5.909 13.296 1.00 24.11 C ATOM 1065 NE ARG A 66 10.438 6.882 13.200 1.00 1.40 N ATOM 1066 CZ ARG A 66 11.694 6.665 13.633 1.00 33.34 C ATOM 1067 NH1 ARG A 66 12.046 5.466 14.127 1.00 30.43 N ATOM 1068 NH2 ARG A 66 12.594 7.638 13.563 1.00 3.23 N ATOM 0 H ARG A 66 5.324 6.335 12.836 1.00 42.42 H new ATOM 0 HA ARG A 66 6.072 9.161 12.802 1.00 45.44 H new ATOM 0 HB2 ARG A 66 8.330 8.432 12.915 1.00 3.43 H new ATOM 0 HB3 ARG A 66 7.388 7.581 14.122 1.00 3.43 H new ATOM 0 HG2 ARG A 66 7.323 5.588 12.626 1.00 2.41 H new ATOM 0 HG3 ARG A 66 8.331 6.444 11.476 1.00 2.41 H new ATOM 0 HD2 ARG A 66 9.083 5.757 14.345 1.00 24.11 H new ATOM 0 HD3 ARG A 66 9.674 4.948 12.907 1.00 24.11 H new ATOM 0 HE ARG A 66 10.234 7.786 12.775 1.00 1.40 H new ATOM 0 HH11 ARG A 66 11.360 4.713 14.176 1.00 30.43 H new ATOM 0 HH12 ARG A 66 13.000 5.309 14.453 1.00 30.43 H new ATOM 0 HH21 ARG A 66 12.333 8.547 13.182 1.00 3.23 H new ATOM 0 HH22 ARG A 66 13.546 7.476 13.890 1.00 3.23 H new ATOM 1082 N HIS A 67 5.447 7.691 10.176 1.00 14.10 N ATOM 1083 CA HIS A 67 5.353 7.757 8.741 1.00 25.33 C ATOM 1084 C HIS A 67 3.995 8.368 8.439 1.00 3.14 C ATOM 1085 O HIS A 67 3.282 8.763 9.369 1.00 71.41 O ATOM 1086 CB HIS A 67 5.443 6.352 8.092 1.00 22.31 C ATOM 1087 CG HIS A 67 6.654 5.533 8.464 1.00 33.12 C ATOM 1088 ND1 HIS A 67 7.934 6.020 8.478 1.00 74.14 N ATOM 1089 CD2 HIS A 67 6.755 4.245 8.845 1.00 45.15 C ATOM 1090 CE1 HIS A 67 8.769 5.080 8.850 1.00 71.21 C ATOM 1091 NE2 HIS A 67 8.081 3.989 9.081 1.00 11.33 N ATOM 0 H HIS A 67 4.702 7.145 10.609 1.00 14.10 H new ATOM 0 HA HIS A 67 6.176 8.345 8.335 1.00 25.33 H new ATOM 0 HB2 HIS A 67 4.550 5.789 8.364 1.00 22.31 H new ATOM 0 HB3 HIS A 67 5.427 6.471 7.009 1.00 22.31 H new ATOM 0 HD2 HIS A 67 5.941 3.543 8.946 1.00 45.15 H new ATOM 0 HE1 HIS A 67 9.839 5.187 8.949 1.00 71.21 H new ATOM 0 HE2 HIS A 67 8.468 3.096 9.386 1.00 11.33 H new ATOM 1100 N GLU A 68 3.632 8.467 7.194 1.00 22.53 N ATOM 1101 CA GLU A 68 2.341 9.006 6.838 1.00 20.21 C ATOM 1102 C GLU A 68 1.470 8.048 5.976 1.00 14.12 C ATOM 1103 O GLU A 68 0.636 7.329 6.533 1.00 13.22 O ATOM 1104 CB GLU A 68 2.440 10.469 6.321 1.00 52.45 C ATOM 1105 CG GLU A 68 3.710 10.789 5.514 1.00 45.05 C ATOM 1106 CD GLU A 68 3.906 9.868 4.367 1.00 33.42 C ATOM 1107 OE1 GLU A 68 3.375 10.137 3.307 1.00 60.12 O ATOM 1108 OE2 GLU A 68 4.537 8.814 4.546 1.00 34.42 O ATOM 0 H GLU A 68 4.209 8.182 6.402 1.00 22.53 H new ATOM 0 HA GLU A 68 1.767 9.076 7.762 1.00 20.21 H new ATOM 0 HB2 GLU A 68 1.570 10.678 5.699 1.00 52.45 H new ATOM 0 HB3 GLU A 68 2.391 11.144 7.175 1.00 52.45 H new ATOM 0 HG2 GLU A 68 3.654 11.814 5.147 1.00 45.05 H new ATOM 0 HG3 GLU A 68 4.577 10.733 6.172 1.00 45.05 H new ATOM 1115 N ARG A 69 1.683 8.017 4.644 1.00 60.11 N ATOM 1116 CA ARG A 69 0.921 7.147 3.724 1.00 60.11 C ATOM 1117 C ARG A 69 1.387 7.313 2.258 1.00 51.52 C ATOM 1118 O ARG A 69 1.356 6.361 1.491 1.00 34.54 O ATOM 1119 CB ARG A 69 -0.613 7.376 3.834 1.00 71.13 C ATOM 1120 CG ARG A 69 -1.065 8.782 3.501 1.00 44.34 C ATOM 1121 CD ARG A 69 -2.569 8.958 3.695 1.00 52.02 C ATOM 1122 NE ARG A 69 -3.017 10.310 3.323 1.00 32.14 N ATOM 1123 CZ ARG A 69 -4.228 10.846 3.589 1.00 25.40 C ATOM 1124 NH1 ARG A 69 -5.147 10.157 4.247 1.00 41.25 N ATOM 1125 NH2 ARG A 69 -4.508 12.073 3.182 1.00 62.10 N ATOM 0 H ARG A 69 2.385 8.592 4.178 1.00 60.11 H new ATOM 0 HA ARG A 69 1.127 6.122 4.033 1.00 60.11 H new ATOM 0 HB2 ARG A 69 -1.120 6.678 3.168 1.00 71.13 H new ATOM 0 HB3 ARG A 69 -0.931 7.137 4.849 1.00 71.13 H new ATOM 0 HG2 ARG A 69 -0.532 9.494 4.132 1.00 44.34 H new ATOM 0 HG3 ARG A 69 -0.803 9.013 2.468 1.00 44.34 H new ATOM 0 HD2 ARG A 69 -3.101 8.221 3.093 1.00 52.02 H new ATOM 0 HD3 ARG A 69 -2.826 8.764 4.737 1.00 52.02 H new ATOM 0 HE ARG A 69 -2.352 10.896 2.818 1.00 32.14 H new ATOM 0 HH11 ARG A 69 -4.945 9.208 4.561 1.00 41.25 H new ATOM 0 HH12 ARG A 69 -6.057 10.575 4.440 1.00 41.25 H new ATOM 0 HH21 ARG A 69 -3.810 12.612 2.669 1.00 62.10 H new ATOM 0 HH22 ARG A 69 -5.422 12.480 3.381 1.00 62.10 H new ATOM 1139 N ASP A 70 1.854 8.500 1.898 1.00 43.25 N ATOM 1140 CA ASP A 70 2.259 8.797 0.513 1.00 35.11 C ATOM 1141 C ASP A 70 3.678 8.295 0.298 1.00 50.30 C ATOM 1142 O ASP A 70 3.966 7.592 -0.670 1.00 43.41 O ATOM 1143 CB ASP A 70 2.187 10.313 0.247 1.00 32.23 C ATOM 1144 CG ASP A 70 2.429 10.701 -1.210 1.00 30.20 C ATOM 1145 OD1 ASP A 70 1.439 10.962 -1.932 1.00 2.51 O ATOM 1146 OD2 ASP A 70 3.587 10.788 -1.640 1.00 21.11 O ATOM 0 H ASP A 70 1.966 9.283 2.542 1.00 43.25 H new ATOM 0 HA ASP A 70 1.582 8.297 -0.180 1.00 35.11 H new ATOM 0 HB2 ASP A 70 1.206 10.679 0.551 1.00 32.23 H new ATOM 0 HB3 ASP A 70 2.923 10.817 0.873 1.00 32.23 H new ATOM 1151 N GLU A 71 4.553 8.622 1.242 1.00 61.34 N ATOM 1152 CA GLU A 71 5.943 8.163 1.217 1.00 63.34 C ATOM 1153 C GLU A 71 5.994 6.643 1.316 1.00 61.43 C ATOM 1154 O GLU A 71 6.885 5.994 0.745 1.00 34.13 O ATOM 1155 CB GLU A 71 6.750 8.796 2.341 1.00 61.30 C ATOM 1156 CG GLU A 71 6.892 10.305 2.237 1.00 20.34 C ATOM 1157 CD GLU A 71 7.700 10.726 1.044 1.00 45.43 C ATOM 1158 OE1 GLU A 71 7.142 10.971 -0.018 1.00 21.52 O ATOM 1159 OE2 GLU A 71 8.933 10.818 1.165 1.00 45.22 O ATOM 0 H GLU A 71 4.324 9.210 2.044 1.00 61.34 H new ATOM 0 HA GLU A 71 6.388 8.472 0.271 1.00 63.34 H new ATOM 0 HB2 GLU A 71 6.278 8.552 3.293 1.00 61.30 H new ATOM 0 HB3 GLU A 71 7.744 8.349 2.354 1.00 61.30 H new ATOM 0 HG2 GLU A 71 5.902 10.757 2.179 1.00 20.34 H new ATOM 0 HG3 GLU A 71 7.363 10.686 3.143 1.00 20.34 H new ATOM 1166 N ILE A 72 5.046 6.080 2.059 1.00 13.35 N ATOM 1167 CA ILE A 72 4.910 4.634 2.164 1.00 62.21 C ATOM 1168 C ILE A 72 4.616 4.055 0.772 1.00 3.01 C ATOM 1169 O ILE A 72 5.225 3.067 0.352 1.00 35.23 O ATOM 1170 CB ILE A 72 3.792 4.230 3.171 1.00 15.15 C ATOM 1171 CG1 ILE A 72 4.096 4.813 4.567 1.00 13.31 C ATOM 1172 CG2 ILE A 72 3.660 2.705 3.245 1.00 2.30 C ATOM 1173 CD1 ILE A 72 3.067 4.468 5.633 1.00 1.53 C ATOM 0 H ILE A 72 4.359 6.607 2.598 1.00 13.35 H new ATOM 0 HA ILE A 72 5.846 4.225 2.545 1.00 62.21 H new ATOM 0 HB ILE A 72 2.845 4.639 2.820 1.00 15.15 H new ATOM 0 HG12 ILE A 72 5.072 4.453 4.892 1.00 13.31 H new ATOM 0 HG13 ILE A 72 4.167 5.898 4.486 1.00 13.31 H new ATOM 0 HG21 ILE A 72 2.874 2.442 3.953 1.00 2.30 H new ATOM 0 HG22 ILE A 72 3.406 2.314 2.260 1.00 2.30 H new ATOM 0 HG23 ILE A 72 4.605 2.274 3.575 1.00 2.30 H new ATOM 0 HD11 ILE A 72 3.360 4.918 6.581 1.00 1.53 H new ATOM 0 HD12 ILE A 72 2.092 4.852 5.335 1.00 1.53 H new ATOM 0 HD13 ILE A 72 3.011 3.386 5.748 1.00 1.53 H new ATOM 1185 N MET A 73 3.706 4.705 0.051 1.00 71.01 N ATOM 1186 CA MET A 73 3.386 4.332 -1.322 1.00 44.35 C ATOM 1187 C MET A 73 4.584 4.437 -2.240 1.00 44.21 C ATOM 1188 O MET A 73 4.703 3.663 -3.180 1.00 11.10 O ATOM 1189 CB MET A 73 2.241 5.146 -1.874 1.00 72.24 C ATOM 1190 CG MET A 73 0.916 4.821 -1.265 1.00 52.15 C ATOM 1191 SD MET A 73 0.458 3.117 -1.566 1.00 52.32 S ATOM 1192 CE MET A 73 0.323 3.099 -3.359 1.00 24.31 C ATOM 0 H MET A 73 3.173 5.501 0.401 1.00 71.01 H new ATOM 0 HA MET A 73 3.080 3.286 -1.285 1.00 44.35 H new ATOM 0 HB2 MET A 73 2.452 6.204 -1.717 1.00 72.24 H new ATOM 0 HB3 MET A 73 2.183 4.989 -2.951 1.00 72.24 H new ATOM 0 HG2 MET A 73 0.953 5.005 -0.191 1.00 52.15 H new ATOM 0 HG3 MET A 73 0.153 5.482 -1.676 1.00 52.15 H new ATOM 0 HE1 MET A 73 -0.076 2.138 -3.684 1.00 24.31 H new ATOM 0 HE2 MET A 73 -0.345 3.898 -3.682 1.00 24.31 H new ATOM 0 HE3 MET A 73 1.308 3.250 -3.800 1.00 24.31 H new ATOM 1202 N GLU A 74 5.471 5.398 -1.981 1.00 42.24 N ATOM 1203 CA GLU A 74 6.722 5.507 -2.740 1.00 3.22 C ATOM 1204 C GLU A 74 7.516 4.236 -2.643 1.00 73.45 C ATOM 1205 O GLU A 74 8.095 3.784 -3.628 1.00 72.42 O ATOM 1206 CB GLU A 74 7.600 6.632 -2.235 1.00 44.10 C ATOM 1207 CG GLU A 74 7.169 8.017 -2.611 1.00 41.31 C ATOM 1208 CD GLU A 74 7.320 8.246 -4.087 1.00 13.23 C ATOM 1209 OE1 GLU A 74 8.308 7.724 -4.680 1.00 22.23 O ATOM 1210 OE2 GLU A 74 6.508 8.989 -4.668 1.00 24.11 O ATOM 0 H GLU A 74 5.351 6.108 -1.258 1.00 42.24 H new ATOM 0 HA GLU A 74 6.433 5.707 -3.772 1.00 3.22 H new ATOM 0 HB2 GLU A 74 7.648 6.570 -1.148 1.00 44.10 H new ATOM 0 HB3 GLU A 74 8.612 6.473 -2.608 1.00 44.10 H new ATOM 0 HG2 GLU A 74 6.130 8.170 -2.320 1.00 41.31 H new ATOM 0 HG3 GLU A 74 7.764 8.748 -2.063 1.00 41.31 H new ATOM 1217 N GLU A 75 7.577 3.681 -1.457 1.00 1.21 N ATOM 1218 CA GLU A 75 8.294 2.457 -1.254 1.00 73.31 C ATOM 1219 C GLU A 75 7.545 1.303 -1.884 1.00 50.41 C ATOM 1220 O GLU A 75 8.109 0.557 -2.685 1.00 71.41 O ATOM 1221 CB GLU A 75 8.547 2.200 0.225 1.00 24.21 C ATOM 1222 CG GLU A 75 9.375 0.962 0.478 1.00 32.21 C ATOM 1223 CD GLU A 75 9.741 0.781 1.919 1.00 63.12 C ATOM 1224 OE1 GLU A 75 10.741 1.368 2.356 1.00 64.42 O ATOM 1225 OE2 GLU A 75 9.077 0.020 2.609 1.00 10.45 O ATOM 0 H GLU A 75 7.136 4.062 -0.620 1.00 1.21 H new ATOM 0 HA GLU A 75 9.266 2.548 -1.739 1.00 73.31 H new ATOM 0 HB2 GLU A 75 9.054 3.063 0.656 1.00 24.21 H new ATOM 0 HB3 GLU A 75 7.591 2.102 0.739 1.00 24.21 H new ATOM 0 HG2 GLU A 75 8.821 0.087 0.138 1.00 32.21 H new ATOM 0 HG3 GLU A 75 10.286 1.014 -0.118 1.00 32.21 H new ATOM 1232 N LEU A 76 6.261 1.195 -1.546 1.00 2.01 N ATOM 1233 CA LEU A 76 5.410 0.125 -2.044 1.00 53.51 C ATOM 1234 C LEU A 76 5.390 0.069 -3.558 1.00 23.10 C ATOM 1235 O LEU A 76 5.623 -0.981 -4.133 1.00 33.30 O ATOM 1236 CB LEU A 76 3.973 0.274 -1.517 1.00 44.22 C ATOM 1237 CG LEU A 76 3.784 0.173 -0.002 1.00 44.34 C ATOM 1238 CD1 LEU A 76 2.327 0.387 0.364 1.00 24.41 C ATOM 1239 CD2 LEU A 76 4.259 -1.176 0.508 1.00 74.34 C ATOM 0 H LEU A 76 5.786 1.846 -0.921 1.00 2.01 H new ATOM 0 HA LEU A 76 5.836 -0.808 -1.675 1.00 53.51 H new ATOM 0 HB2 LEU A 76 3.589 1.240 -1.844 1.00 44.22 H new ATOM 0 HB3 LEU A 76 3.356 -0.491 -1.989 1.00 44.22 H new ATOM 0 HG LEU A 76 4.383 0.952 0.470 1.00 44.34 H new ATOM 0 HD11 LEU A 76 2.209 0.312 1.445 1.00 24.41 H new ATOM 0 HD12 LEU A 76 2.010 1.376 0.032 1.00 24.41 H new ATOM 0 HD13 LEU A 76 1.715 -0.373 -0.122 1.00 24.41 H new ATOM 0 HD21 LEU A 76 4.116 -1.228 1.587 1.00 74.34 H new ATOM 0 HD22 LEU A 76 3.686 -1.969 0.028 1.00 74.34 H new ATOM 0 HD23 LEU A 76 5.317 -1.301 0.276 1.00 74.34 H new ATOM 1251 N THR A 77 5.158 1.203 -4.199 1.00 22.34 N ATOM 1252 CA THR A 77 5.065 1.236 -5.635 1.00 25.44 C ATOM 1253 C THR A 77 6.430 0.949 -6.291 1.00 1.14 C ATOM 1254 O THR A 77 6.520 0.142 -7.220 1.00 1.24 O ATOM 1255 CB THR A 77 4.511 2.598 -6.121 1.00 41.12 C ATOM 1256 OG1 THR A 77 3.298 2.890 -5.409 1.00 25.21 O ATOM 1257 CG2 THR A 77 4.202 2.556 -7.611 1.00 3.40 C ATOM 0 H THR A 77 5.032 2.106 -3.742 1.00 22.34 H new ATOM 0 HA THR A 77 4.372 0.451 -5.937 1.00 25.44 H new ATOM 0 HB THR A 77 5.263 3.365 -5.936 1.00 41.12 H new ATOM 0 HG1 THR A 77 3.516 3.225 -4.514 1.00 25.21 H new ATOM 0 HG21 THR A 77 3.814 3.524 -7.930 1.00 3.40 H new ATOM 0 HG22 THR A 77 5.113 2.330 -8.165 1.00 3.40 H new ATOM 0 HG23 THR A 77 3.457 1.784 -7.807 1.00 3.40 H new ATOM 1265 N LYS A 78 7.502 1.575 -5.783 1.00 75.23 N ATOM 1266 CA LYS A 78 8.803 1.397 -6.406 1.00 50.14 C ATOM 1267 C LYS A 78 9.381 0.025 -6.187 1.00 13.54 C ATOM 1268 O LYS A 78 9.937 -0.559 -7.107 1.00 20.02 O ATOM 1269 CB LYS A 78 9.829 2.497 -6.054 1.00 14.34 C ATOM 1270 CG LYS A 78 9.380 3.878 -6.478 1.00 42.12 C ATOM 1271 CD LYS A 78 10.520 4.905 -6.557 1.00 60.14 C ATOM 1272 CE LYS A 78 11.161 5.211 -5.217 1.00 41.14 C ATOM 1273 NZ LYS A 78 10.218 5.845 -4.270 1.00 33.52 N ATOM 0 H LYS A 78 7.489 2.188 -4.968 1.00 75.23 H new ATOM 0 HA LYS A 78 8.600 1.500 -7.472 1.00 50.14 H new ATOM 0 HB2 LYS A 78 10.005 2.492 -4.978 1.00 14.34 H new ATOM 0 HB3 LYS A 78 10.780 2.266 -6.534 1.00 14.34 H new ATOM 0 HG2 LYS A 78 8.897 3.809 -7.453 1.00 42.12 H new ATOM 0 HG3 LYS A 78 8.628 4.237 -5.775 1.00 42.12 H new ATOM 0 HD2 LYS A 78 11.285 4.533 -7.239 1.00 60.14 H new ATOM 0 HD3 LYS A 78 10.134 5.830 -6.985 1.00 60.14 H new ATOM 0 HE2 LYS A 78 11.543 4.288 -4.781 1.00 41.14 H new ATOM 0 HE3 LYS A 78 12.016 5.869 -5.369 1.00 41.14 H new ATOM 0 HZ1 LYS A 78 10.737 6.172 -3.430 1.00 33.52 H new ATOM 0 HZ2 LYS A 78 9.757 6.656 -4.730 1.00 33.52 H new ATOM 0 HZ3 LYS A 78 9.496 5.153 -3.984 1.00 33.52 H new ATOM 1287 N TYR A 79 9.233 -0.508 -4.999 1.00 4.45 N ATOM 1288 CA TYR A 79 9.811 -1.811 -4.728 1.00 33.42 C ATOM 1289 C TYR A 79 9.020 -2.912 -5.425 1.00 64.23 C ATOM 1290 O TYR A 79 9.605 -3.853 -5.961 1.00 61.41 O ATOM 1291 CB TYR A 79 9.975 -2.092 -3.229 1.00 63.22 C ATOM 1292 CG TYR A 79 10.745 -3.370 -2.963 1.00 2.14 C ATOM 1293 CD1 TYR A 79 12.127 -3.402 -3.115 1.00 14.42 C ATOM 1294 CD2 TYR A 79 10.104 -4.542 -2.595 1.00 32.20 C ATOM 1295 CE1 TYR A 79 12.842 -4.562 -2.899 1.00 11.44 C ATOM 1296 CE2 TYR A 79 10.812 -5.697 -2.385 1.00 64.04 C ATOM 1297 CZ TYR A 79 12.180 -5.707 -2.537 1.00 62.32 C ATOM 1298 OH TYR A 79 12.887 -6.875 -2.337 1.00 22.32 O ATOM 0 H TYR A 79 8.733 -0.079 -4.221 1.00 4.45 H new ATOM 0 HA TYR A 79 10.819 -1.802 -5.143 1.00 33.42 H new ATOM 0 HB2 TYR A 79 10.492 -1.255 -2.759 1.00 63.22 H new ATOM 0 HB3 TYR A 79 8.991 -2.160 -2.765 1.00 63.22 H new ATOM 0 HD1 TYR A 79 12.650 -2.503 -3.407 1.00 14.42 H new ATOM 0 HD2 TYR A 79 9.031 -4.546 -2.472 1.00 32.20 H new ATOM 0 HE1 TYR A 79 13.916 -4.568 -3.014 1.00 11.44 H new ATOM 0 HE2 TYR A 79 10.295 -6.601 -2.100 1.00 64.04 H new ATOM 0 HH TYR A 79 12.298 -7.550 -1.941 1.00 22.32 H new ATOM 1308 N TYR A 80 7.697 -2.776 -5.444 1.00 0.24 N ATOM 1309 CA TYR A 80 6.846 -3.729 -6.145 1.00 42.12 C ATOM 1310 C TYR A 80 7.228 -3.807 -7.627 1.00 1.12 C ATOM 1311 O TYR A 80 7.362 -4.902 -8.197 1.00 41.10 O ATOM 1312 CB TYR A 80 5.353 -3.365 -5.984 1.00 14.13 C ATOM 1313 CG TYR A 80 4.454 -4.136 -6.911 1.00 53.15 C ATOM 1314 CD1 TYR A 80 3.942 -5.379 -6.571 1.00 14.13 C ATOM 1315 CD2 TYR A 80 4.154 -3.624 -8.162 1.00 55.41 C ATOM 1316 CE1 TYR A 80 3.164 -6.078 -7.467 1.00 1.12 C ATOM 1317 CE2 TYR A 80 3.382 -4.302 -9.037 1.00 11.42 C ATOM 1318 CZ TYR A 80 2.892 -5.522 -8.700 1.00 64.25 C ATOM 1319 OH TYR A 80 2.165 -6.200 -9.605 1.00 32.30 O ATOM 0 H TYR A 80 7.194 -2.018 -4.983 1.00 0.24 H new ATOM 0 HA TYR A 80 7.002 -4.711 -5.698 1.00 42.12 H new ATOM 0 HB2 TYR A 80 5.049 -3.552 -4.954 1.00 14.13 H new ATOM 0 HB3 TYR A 80 5.224 -2.298 -6.166 1.00 14.13 H new ATOM 0 HD1 TYR A 80 4.154 -5.801 -5.600 1.00 14.13 H new ATOM 0 HD2 TYR A 80 4.547 -2.659 -8.444 1.00 55.41 H new ATOM 0 HE1 TYR A 80 2.771 -7.050 -7.207 1.00 1.12 H new ATOM 0 HE2 TYR A 80 3.155 -3.875 -10.003 1.00 11.42 H new ATOM 0 HH TYR A 80 1.223 -6.197 -9.336 1.00 32.30 H new ATOM 1329 N LEU A 81 7.398 -2.655 -8.251 1.00 71.04 N ATOM 1330 CA LEU A 81 7.769 -2.616 -9.648 1.00 62.54 C ATOM 1331 C LEU A 81 9.190 -3.111 -9.859 1.00 42.25 C ATOM 1332 O LEU A 81 9.487 -3.746 -10.879 1.00 53.25 O ATOM 1333 CB LEU A 81 7.544 -1.234 -10.253 1.00 53.24 C ATOM 1334 CG LEU A 81 6.078 -0.776 -10.344 1.00 74.11 C ATOM 1335 CD1 LEU A 81 5.990 0.626 -10.899 1.00 60.10 C ATOM 1336 CD2 LEU A 81 5.264 -1.731 -11.211 1.00 70.05 C ATOM 0 H LEU A 81 7.285 -1.741 -7.813 1.00 71.04 H new ATOM 0 HA LEU A 81 7.111 -3.302 -10.182 1.00 62.54 H new ATOM 0 HB2 LEU A 81 8.097 -0.504 -9.662 1.00 53.24 H new ATOM 0 HB3 LEU A 81 7.972 -1.222 -11.255 1.00 53.24 H new ATOM 0 HG LEU A 81 5.663 -0.781 -9.336 1.00 74.11 H new ATOM 0 HD11 LEU A 81 4.945 0.930 -10.955 1.00 60.10 H new ATOM 0 HD12 LEU A 81 6.533 1.310 -10.247 1.00 60.10 H new ATOM 0 HD13 LEU A 81 6.429 0.651 -11.896 1.00 60.10 H new ATOM 0 HD21 LEU A 81 4.231 -1.387 -11.261 1.00 70.05 H new ATOM 0 HD22 LEU A 81 5.686 -1.759 -12.216 1.00 70.05 H new ATOM 0 HD23 LEU A 81 5.293 -2.731 -10.777 1.00 70.05 H new ATOM 1348 N ALA A 82 10.050 -2.875 -8.876 1.00 44.24 N ATOM 1349 CA ALA A 82 11.424 -3.353 -8.923 1.00 33.21 C ATOM 1350 C ALA A 82 11.454 -4.877 -8.957 1.00 73.33 C ATOM 1351 O ALA A 82 12.327 -5.482 -9.590 1.00 53.10 O ATOM 1352 CB ALA A 82 12.229 -2.824 -7.744 1.00 75.53 C ATOM 0 H ALA A 82 9.817 -2.352 -8.032 1.00 44.24 H new ATOM 0 HA ALA A 82 11.885 -2.976 -9.836 1.00 33.21 H new ATOM 0 HB1 ALA A 82 13.251 -3.197 -7.805 1.00 75.53 H new ATOM 0 HB2 ALA A 82 12.238 -1.734 -7.769 1.00 75.53 H new ATOM 0 HB3 ALA A 82 11.775 -3.161 -6.812 1.00 75.53 H new ATOM 1358 N ASN A 83 10.470 -5.493 -8.308 1.00 51.01 N ATOM 1359 CA ASN A 83 10.342 -6.953 -8.279 1.00 25.41 C ATOM 1360 C ASN A 83 10.012 -7.522 -9.657 1.00 65.41 C ATOM 1361 O ASN A 83 10.163 -8.709 -9.889 1.00 63.30 O ATOM 1362 CB ASN A 83 9.295 -7.419 -7.263 1.00 60.30 C ATOM 1363 CG ASN A 83 9.630 -7.101 -5.806 1.00 22.31 C ATOM 1364 OD1 ASN A 83 8.733 -6.896 -4.990 1.00 72.15 O ATOM 1365 ND2 ASN A 83 10.897 -7.073 -5.463 1.00 14.52 N ATOM 0 H ASN A 83 9.742 -5.001 -7.790 1.00 51.01 H new ATOM 0 HA ASN A 83 11.315 -7.335 -7.969 1.00 25.41 H new ATOM 0 HB2 ASN A 83 8.339 -6.958 -7.510 1.00 60.30 H new ATOM 0 HB3 ASN A 83 9.165 -8.496 -7.364 1.00 60.30 H new ATOM 0 HD21 ASN A 83 11.160 -6.877 -4.497 1.00 14.52 H new ATOM 0 HD22 ASN A 83 11.619 -7.247 -6.162 1.00 14.52 H new ATOM 1372 N HIS A 84 9.565 -6.672 -10.576 1.00 43.40 N ATOM 1373 CA HIS A 84 9.296 -7.122 -11.952 1.00 72.04 C ATOM 1374 C HIS A 84 10.567 -7.051 -12.802 1.00 65.13 C ATOM 1375 O HIS A 84 10.526 -7.217 -14.012 1.00 24.34 O ATOM 1376 CB HIS A 84 8.150 -6.326 -12.639 1.00 13.21 C ATOM 1377 CG HIS A 84 6.757 -6.589 -12.110 1.00 12.20 C ATOM 1378 ND1 HIS A 84 6.051 -7.736 -12.396 1.00 11.44 N ATOM 1379 CD2 HIS A 84 5.936 -5.843 -11.326 1.00 12.35 C ATOM 1380 CE1 HIS A 84 4.870 -7.691 -11.820 1.00 55.14 C ATOM 1381 NE2 HIS A 84 4.767 -6.559 -11.164 1.00 42.35 N ATOM 0 H HIS A 84 9.382 -5.683 -10.405 1.00 43.40 H new ATOM 0 HA HIS A 84 8.965 -8.158 -11.877 1.00 72.04 H new ATOM 0 HB2 HIS A 84 8.361 -5.261 -12.538 1.00 13.21 H new ATOM 0 HB3 HIS A 84 8.163 -6.554 -13.705 1.00 13.21 H new ATOM 0 HD2 HIS A 84 6.156 -4.872 -10.908 1.00 12.35 H new ATOM 0 HE1 HIS A 84 4.111 -8.458 -11.877 1.00 55.14 H new ATOM 0 HE2 HIS A 84 3.956 -6.258 -10.623 1.00 42.35 H new ATOM 1390 N GLY A 85 11.700 -6.811 -12.151 1.00 34.23 N ATOM 1391 CA GLY A 85 12.962 -6.729 -12.857 1.00 41.54 C ATOM 1392 C GLY A 85 13.198 -5.344 -13.397 1.00 12.45 C ATOM 1393 O GLY A 85 14.094 -5.119 -14.218 1.00 1.30 O ATOM 0 H GLY A 85 11.765 -6.671 -11.143 1.00 34.23 H new ATOM 0 HA2 GLY A 85 13.775 -7.003 -12.185 1.00 41.54 H new ATOM 0 HA3 GLY A 85 12.970 -7.447 -13.677 1.00 41.54 H new ATOM 1397 N ILE A 86 12.393 -4.422 -12.935 1.00 21.15 N ATOM 1398 CA ILE A 86 12.469 -3.054 -13.352 1.00 54.21 C ATOM 1399 C ILE A 86 13.331 -2.282 -12.378 1.00 45.31 C ATOM 1400 O ILE A 86 13.206 -2.449 -11.165 1.00 21.04 O ATOM 1401 CB ILE A 86 11.057 -2.411 -13.402 1.00 62.12 C ATOM 1402 CG1 ILE A 86 10.141 -3.184 -14.363 1.00 72.33 C ATOM 1403 CG2 ILE A 86 11.149 -0.949 -13.810 1.00 72.12 C ATOM 1404 CD1 ILE A 86 8.741 -2.619 -14.461 1.00 53.13 C ATOM 0 H ILE A 86 11.659 -4.607 -12.251 1.00 21.15 H new ATOM 0 HA ILE A 86 12.904 -3.020 -14.351 1.00 54.21 H new ATOM 0 HB ILE A 86 10.624 -2.462 -12.403 1.00 62.12 H new ATOM 0 HG12 ILE A 86 10.592 -3.187 -15.356 1.00 72.33 H new ATOM 0 HG13 ILE A 86 10.081 -4.222 -14.037 1.00 72.33 H new ATOM 0 HG21 ILE A 86 10.149 -0.516 -13.839 1.00 72.12 H new ATOM 0 HG22 ILE A 86 11.758 -0.407 -13.087 1.00 72.12 H new ATOM 0 HG23 ILE A 86 11.606 -0.875 -14.797 1.00 72.12 H new ATOM 0 HD11 ILE A 86 8.155 -3.218 -15.158 1.00 53.13 H new ATOM 0 HD12 ILE A 86 8.270 -2.641 -13.478 1.00 53.13 H new ATOM 0 HD13 ILE A 86 8.788 -1.590 -14.818 1.00 53.13 H new ATOM 1416 N ASP A 87 14.212 -1.485 -12.889 1.00 72.41 N ATOM 1417 CA ASP A 87 15.032 -0.645 -12.044 1.00 54.12 C ATOM 1418 C ASP A 87 14.507 0.767 -12.084 1.00 53.24 C ATOM 1419 O ASP A 87 14.476 1.387 -13.136 1.00 44.42 O ATOM 1420 CB ASP A 87 16.495 -0.687 -12.485 1.00 35.04 C ATOM 1421 CG ASP A 87 17.373 0.244 -11.675 1.00 14.31 C ATOM 1422 OD1 ASP A 87 17.730 -0.105 -10.529 1.00 31.25 O ATOM 1423 OD2 ASP A 87 17.729 1.327 -12.173 1.00 32.51 O ATOM 0 H ASP A 87 14.391 -1.390 -13.889 1.00 72.41 H new ATOM 0 HA ASP A 87 14.984 -1.019 -11.021 1.00 54.12 H new ATOM 0 HB2 ASP A 87 16.870 -1.706 -12.392 1.00 35.04 H new ATOM 0 HB3 ASP A 87 16.561 -0.418 -13.539 1.00 35.04 H new ATOM 1428 N ILE A 88 14.099 1.272 -10.960 1.00 54.00 N ATOM 1429 CA ILE A 88 13.533 2.601 -10.901 1.00 42.40 C ATOM 1430 C ILE A 88 14.554 3.547 -10.316 1.00 54.22 C ATOM 1431 O ILE A 88 15.288 3.180 -9.394 1.00 55.30 O ATOM 1432 CB ILE A 88 12.246 2.625 -10.035 1.00 1.44 C ATOM 1433 CG1 ILE A 88 11.234 1.618 -10.571 1.00 40.44 C ATOM 1434 CG2 ILE A 88 11.625 4.029 -10.012 1.00 32.40 C ATOM 1435 CD1 ILE A 88 9.983 1.527 -9.741 1.00 31.12 C ATOM 0 H ILE A 88 14.144 0.788 -10.063 1.00 54.00 H new ATOM 0 HA ILE A 88 13.267 2.911 -11.912 1.00 42.40 H new ATOM 0 HB ILE A 88 12.518 2.353 -9.015 1.00 1.44 H new ATOM 0 HG12 ILE A 88 10.965 1.893 -11.591 1.00 40.44 H new ATOM 0 HG13 ILE A 88 11.702 0.635 -10.618 1.00 40.44 H new ATOM 0 HG21 ILE A 88 10.724 4.018 -9.398 1.00 32.40 H new ATOM 0 HG22 ILE A 88 12.341 4.737 -9.594 1.00 32.40 H new ATOM 0 HG23 ILE A 88 11.368 4.330 -11.028 1.00 32.40 H new ATOM 0 HD11 ILE A 88 9.308 0.792 -10.180 1.00 31.12 H new ATOM 0 HD12 ILE A 88 10.241 1.223 -8.727 1.00 31.12 H new ATOM 0 HD13 ILE A 88 9.493 2.500 -9.714 1.00 31.12 H new ATOM 1767 N ALA B 19 -4.025 -9.664 -12.226 1.00 64.51 N ATOM 1768 CA ALA B 19 -4.290 -8.786 -13.343 1.00 22.50 C ATOM 1769 C ALA B 19 -3.637 -7.433 -13.140 1.00 62.44 C ATOM 1770 O ALA B 19 -3.173 -6.804 -14.090 1.00 11.22 O ATOM 1771 CB ALA B 19 -5.761 -8.593 -13.466 1.00 64.52 C ATOM 0 HA ALA B 19 -3.880 -9.240 -14.245 1.00 22.50 H new ATOM 0 HB1 ALA B 19 -5.972 -7.932 -14.306 1.00 64.52 H new ATOM 0 HB2 ALA B 19 -6.242 -9.557 -13.633 1.00 64.52 H new ATOM 0 HB3 ALA B 19 -6.148 -8.149 -12.549 1.00 64.52 H new ATOM 1777 N ILE B 20 -3.584 -7.011 -11.895 1.00 22.42 N ATOM 1778 CA ILE B 20 -3.045 -5.716 -11.521 1.00 42.32 C ATOM 1779 C ILE B 20 -1.552 -5.689 -11.793 1.00 1.52 C ATOM 1780 O ILE B 20 -0.982 -4.649 -12.162 1.00 72.44 O ATOM 1781 CB ILE B 20 -3.318 -5.423 -10.032 1.00 71.43 C ATOM 1782 CG1 ILE B 20 -4.809 -5.593 -9.746 1.00 32.43 C ATOM 1783 CG2 ILE B 20 -2.861 -4.011 -9.664 1.00 23.21 C ATOM 1784 CD1 ILE B 20 -5.186 -5.384 -8.309 1.00 2.31 C ATOM 0 H ILE B 20 -3.917 -7.562 -11.103 1.00 22.42 H new ATOM 0 HA ILE B 20 -3.535 -4.946 -12.116 1.00 42.32 H new ATOM 0 HB ILE B 20 -2.752 -6.128 -9.423 1.00 71.43 H new ATOM 0 HG12 ILE B 20 -5.369 -4.890 -10.363 1.00 32.43 H new ATOM 0 HG13 ILE B 20 -5.114 -6.595 -10.048 1.00 32.43 H new ATOM 0 HG21 ILE B 20 -3.063 -3.826 -8.609 1.00 23.21 H new ATOM 0 HG22 ILE B 20 -1.791 -3.915 -9.851 1.00 23.21 H new ATOM 0 HG23 ILE B 20 -3.402 -3.284 -10.270 1.00 23.21 H new ATOM 0 HD11 ILE B 20 -6.261 -5.523 -8.191 1.00 2.31 H new ATOM 0 HD12 ILE B 20 -4.656 -6.104 -7.685 1.00 2.31 H new ATOM 0 HD13 ILE B 20 -4.915 -4.373 -8.005 1.00 2.31 H new ATOM 1796 N SER B 21 -0.938 -6.851 -11.652 1.00 1.25 N ATOM 1797 CA SER B 21 0.491 -7.011 -11.865 1.00 44.44 C ATOM 1798 C SER B 21 0.862 -6.631 -13.289 1.00 64.43 C ATOM 1799 O SER B 21 1.916 -6.026 -13.545 1.00 33.11 O ATOM 1800 CB SER B 21 0.900 -8.453 -11.577 1.00 33.40 C ATOM 1801 OG SER B 21 0.544 -8.834 -10.250 1.00 31.24 O ATOM 0 H SER B 21 -1.416 -7.712 -11.386 1.00 1.25 H new ATOM 0 HA SER B 21 1.025 -6.349 -11.183 1.00 44.44 H new ATOM 0 HB2 SER B 21 0.418 -9.120 -12.292 1.00 33.40 H new ATOM 0 HB3 SER B 21 1.976 -8.563 -11.714 1.00 33.40 H new ATOM 0 HG SER B 21 0.633 -8.062 -9.653 1.00 31.24 H new ATOM 1807 N GLU B 22 -0.025 -6.970 -14.195 1.00 11.03 N ATOM 1808 CA GLU B 22 0.137 -6.680 -15.588 1.00 42.05 C ATOM 1809 C GLU B 22 -0.135 -5.190 -15.818 1.00 32.11 C ATOM 1810 O GLU B 22 0.615 -4.509 -16.516 1.00 11.35 O ATOM 1811 CB GLU B 22 -0.853 -7.534 -16.383 1.00 53.45 C ATOM 1812 CG GLU B 22 -0.750 -9.024 -16.066 1.00 34.22 C ATOM 1813 CD GLU B 22 -1.771 -9.867 -16.794 1.00 70.44 C ATOM 1814 OE1 GLU B 22 -2.937 -9.984 -16.302 1.00 14.43 O ATOM 1815 OE2 GLU B 22 -1.433 -10.445 -17.832 1.00 34.32 O ATOM 0 H GLU B 22 -0.891 -7.462 -13.975 1.00 11.03 H new ATOM 0 HA GLU B 22 1.151 -6.909 -15.916 1.00 42.05 H new ATOM 0 HB2 GLU B 22 -1.867 -7.194 -16.173 1.00 53.45 H new ATOM 0 HB3 GLU B 22 -0.680 -7.383 -17.448 1.00 53.45 H new ATOM 0 HG2 GLU B 22 0.249 -9.374 -16.324 1.00 34.22 H new ATOM 0 HG3 GLU B 22 -0.871 -9.168 -14.992 1.00 34.22 H new ATOM 1822 N THR B 23 -1.193 -4.694 -15.177 1.00 73.42 N ATOM 1823 CA THR B 23 -1.620 -3.312 -15.300 1.00 51.03 C ATOM 1824 C THR B 23 -0.508 -2.322 -14.890 1.00 51.42 C ATOM 1825 O THR B 23 -0.130 -1.446 -15.672 1.00 12.12 O ATOM 1826 CB THR B 23 -2.848 -3.065 -14.394 1.00 53.13 C ATOM 1827 OG1 THR B 23 -3.896 -3.978 -14.731 1.00 3.31 O ATOM 1828 CG2 THR B 23 -3.357 -1.637 -14.523 1.00 30.51 C ATOM 0 H THR B 23 -1.779 -5.250 -14.554 1.00 73.42 H new ATOM 0 HA THR B 23 -1.866 -3.143 -16.348 1.00 51.03 H new ATOM 0 HB THR B 23 -2.537 -3.225 -13.362 1.00 53.13 H new ATOM 0 HG1 THR B 23 -3.681 -4.867 -14.379 1.00 3.31 H new ATOM 0 HG21 THR B 23 -4.221 -1.498 -13.873 1.00 30.51 H new ATOM 0 HG22 THR B 23 -2.569 -0.942 -14.233 1.00 30.51 H new ATOM 0 HG23 THR B 23 -3.647 -1.446 -15.556 1.00 30.51 H new ATOM 1836 N LEU B 24 0.037 -2.502 -13.696 1.00 61.12 N ATOM 1837 CA LEU B 24 1.020 -1.569 -13.146 1.00 21.32 C ATOM 1838 C LEU B 24 2.304 -1.553 -13.950 1.00 14.21 C ATOM 1839 O LEU B 24 2.939 -0.505 -14.102 1.00 2.14 O ATOM 1840 CB LEU B 24 1.303 -1.880 -11.676 1.00 3.12 C ATOM 1841 CG LEU B 24 0.109 -1.767 -10.722 1.00 14.03 C ATOM 1842 CD1 LEU B 24 0.525 -2.132 -9.312 1.00 11.32 C ATOM 1843 CD2 LEU B 24 -0.483 -0.360 -10.753 1.00 24.05 C ATOM 0 H LEU B 24 -0.183 -3.288 -13.084 1.00 61.12 H new ATOM 0 HA LEU B 24 0.587 -0.571 -13.212 1.00 21.32 H new ATOM 0 HB2 LEU B 24 1.701 -2.893 -11.610 1.00 3.12 H new ATOM 0 HB3 LEU B 24 2.086 -1.207 -11.327 1.00 3.12 H new ATOM 0 HG LEU B 24 -0.658 -2.466 -11.054 1.00 14.03 H new ATOM 0 HD11 LEU B 24 -0.334 -2.047 -8.646 1.00 11.32 H new ATOM 0 HD12 LEU B 24 0.897 -3.157 -9.296 1.00 11.32 H new ATOM 0 HD13 LEU B 24 1.312 -1.455 -8.978 1.00 11.32 H new ATOM 0 HD21 LEU B 24 -1.329 -0.306 -10.068 1.00 24.05 H new ATOM 0 HD22 LEU B 24 0.276 0.361 -10.450 1.00 24.05 H new ATOM 0 HD23 LEU B 24 -0.820 -0.129 -11.764 1.00 24.05 H new ATOM 1855 N GLU B 25 2.667 -2.697 -14.485 1.00 75.43 N ATOM 1856 CA GLU B 25 3.870 -2.819 -15.272 1.00 61.53 C ATOM 1857 C GLU B 25 3.712 -2.017 -16.581 1.00 24.15 C ATOM 1858 O GLU B 25 4.635 -1.310 -17.019 1.00 64.14 O ATOM 1859 CB GLU B 25 4.144 -4.295 -15.543 1.00 52.01 C ATOM 1860 CG GLU B 25 5.454 -4.581 -16.235 1.00 1.53 C ATOM 1861 CD GLU B 25 5.673 -6.054 -16.414 1.00 60.33 C ATOM 1862 OE1 GLU B 25 6.146 -6.713 -15.462 1.00 40.43 O ATOM 1863 OE2 GLU B 25 5.361 -6.584 -17.501 1.00 50.52 O ATOM 0 H GLU B 25 2.139 -3.564 -14.387 1.00 75.43 H new ATOM 0 HA GLU B 25 4.723 -2.409 -14.731 1.00 61.53 H new ATOM 0 HB2 GLU B 25 4.125 -4.833 -14.595 1.00 52.01 H new ATOM 0 HB3 GLU B 25 3.333 -4.694 -16.152 1.00 52.01 H new ATOM 0 HG2 GLU B 25 5.467 -4.090 -17.208 1.00 1.53 H new ATOM 0 HG3 GLU B 25 6.273 -4.159 -15.653 1.00 1.53 H new ATOM 1870 N THR B 26 2.525 -2.107 -17.167 1.00 10.34 N ATOM 1871 CA THR B 26 2.194 -1.377 -18.369 1.00 2.15 C ATOM 1872 C THR B 26 2.146 0.138 -18.090 1.00 11.01 C ATOM 1873 O THR B 26 2.676 0.942 -18.871 1.00 60.40 O ATOM 1874 CB THR B 26 0.837 -1.850 -18.908 1.00 21.20 C ATOM 1875 OG1 THR B 26 0.891 -3.267 -19.127 1.00 53.52 O ATOM 1876 CG2 THR B 26 0.498 -1.157 -20.214 1.00 21.34 C ATOM 0 H THR B 26 1.767 -2.692 -16.816 1.00 10.34 H new ATOM 0 HA THR B 26 2.966 -1.568 -19.114 1.00 2.15 H new ATOM 0 HB THR B 26 0.067 -1.604 -18.177 1.00 21.20 H new ATOM 0 HG1 THR B 26 0.803 -3.734 -18.270 1.00 53.52 H new ATOM 0 HG21 THR B 26 -0.468 -1.511 -20.573 1.00 21.34 H new ATOM 0 HG22 THR B 26 0.453 -0.080 -20.053 1.00 21.34 H new ATOM 0 HG23 THR B 26 1.265 -1.382 -20.955 1.00 21.34 H new ATOM 1884 N VAL B 27 1.523 0.510 -16.963 1.00 72.54 N ATOM 1885 CA VAL B 27 1.418 1.915 -16.553 1.00 14.43 C ATOM 1886 C VAL B 27 2.811 2.526 -16.401 1.00 35.32 C ATOM 1887 O VAL B 27 3.051 3.677 -16.798 1.00 21.21 O ATOM 1888 CB VAL B 27 0.620 2.079 -15.217 1.00 60.32 C ATOM 1889 CG1 VAL B 27 0.572 3.534 -14.790 1.00 51.44 C ATOM 1890 CG2 VAL B 27 -0.799 1.552 -15.364 1.00 4.14 C ATOM 0 H VAL B 27 1.083 -0.146 -16.318 1.00 72.54 H new ATOM 0 HA VAL B 27 0.869 2.441 -17.335 1.00 14.43 H new ATOM 0 HB VAL B 27 1.139 1.500 -14.453 1.00 60.32 H new ATOM 0 HG11 VAL B 27 0.012 3.622 -13.859 1.00 51.44 H new ATOM 0 HG12 VAL B 27 1.587 3.903 -14.639 1.00 51.44 H new ATOM 0 HG13 VAL B 27 0.083 4.125 -15.565 1.00 51.44 H new ATOM 0 HG21 VAL B 27 -1.333 1.677 -14.422 1.00 4.14 H new ATOM 0 HG22 VAL B 27 -1.313 2.106 -16.149 1.00 4.14 H new ATOM 0 HG23 VAL B 27 -0.769 0.494 -15.626 1.00 4.14 H new ATOM 1900 N TYR B 28 3.733 1.735 -15.855 1.00 51.13 N ATOM 1901 CA TYR B 28 5.101 2.171 -15.685 1.00 72.30 C ATOM 1902 C TYR B 28 5.723 2.507 -17.037 1.00 61.03 C ATOM 1903 O TYR B 28 6.274 3.585 -17.221 1.00 61.13 O ATOM 1904 CB TYR B 28 5.944 1.108 -14.947 1.00 0.55 C ATOM 1905 CG TYR B 28 7.392 1.524 -14.724 1.00 22.45 C ATOM 1906 CD1 TYR B 28 8.362 1.267 -15.681 1.00 43.30 C ATOM 1907 CD2 TYR B 28 7.780 2.191 -13.565 1.00 54.53 C ATOM 1908 CE1 TYR B 28 9.670 1.656 -15.494 1.00 72.24 C ATOM 1909 CE2 TYR B 28 9.090 2.590 -13.372 1.00 71.21 C ATOM 1910 CZ TYR B 28 10.030 2.319 -14.336 1.00 24.23 C ATOM 1911 OH TYR B 28 11.330 2.724 -14.158 1.00 1.41 O ATOM 0 H TYR B 28 3.548 0.788 -15.525 1.00 51.13 H new ATOM 0 HA TYR B 28 5.092 3.071 -15.070 1.00 72.30 H new ATOM 0 HB2 TYR B 28 5.483 0.897 -13.982 1.00 0.55 H new ATOM 0 HB3 TYR B 28 5.925 0.180 -15.519 1.00 0.55 H new ATOM 0 HD1 TYR B 28 8.087 0.752 -16.590 1.00 43.30 H new ATOM 0 HD2 TYR B 28 7.044 2.401 -12.803 1.00 54.53 H new ATOM 0 HE1 TYR B 28 10.412 1.444 -16.250 1.00 72.24 H new ATOM 0 HE2 TYR B 28 9.372 3.111 -12.469 1.00 71.21 H new ATOM 0 HH TYR B 28 11.561 3.390 -14.839 1.00 1.41 H new ATOM 1921 N ARG B 29 5.604 1.592 -17.977 1.00 2.50 N ATOM 1922 CA ARG B 29 6.190 1.774 -19.299 1.00 40.15 C ATOM 1923 C ARG B 29 5.635 2.997 -20.006 1.00 22.42 C ATOM 1924 O ARG B 29 6.394 3.796 -20.553 1.00 14.31 O ATOM 1925 CB ARG B 29 6.010 0.526 -20.160 1.00 62.04 C ATOM 1926 CG ARG B 29 6.723 -0.706 -19.623 1.00 13.50 C ATOM 1927 CD ARG B 29 8.219 -0.458 -19.490 1.00 24.05 C ATOM 1928 NE ARG B 29 8.834 -0.046 -20.768 1.00 20.42 N ATOM 1929 CZ ARG B 29 9.946 0.714 -20.865 1.00 61.00 C ATOM 1930 NH1 ARG B 29 10.562 1.142 -19.765 1.00 3.14 N ATOM 1931 NH2 ARG B 29 10.442 1.034 -22.056 1.00 22.42 N ATOM 0 H ARG B 29 5.106 0.710 -17.854 1.00 2.50 H new ATOM 0 HA ARG B 29 7.257 1.938 -19.151 1.00 40.15 H new ATOM 0 HB2 ARG B 29 4.946 0.308 -20.247 1.00 62.04 H new ATOM 0 HB3 ARG B 29 6.376 0.735 -21.165 1.00 62.04 H new ATOM 0 HG2 ARG B 29 6.308 -0.976 -18.652 1.00 13.50 H new ATOM 0 HG3 ARG B 29 6.549 -1.550 -20.290 1.00 13.50 H new ATOM 0 HD2 ARG B 29 8.392 0.314 -18.740 1.00 24.05 H new ATOM 0 HD3 ARG B 29 8.705 -1.365 -19.131 1.00 24.05 H new ATOM 0 HE ARG B 29 8.390 -0.355 -21.633 1.00 20.42 H new ATOM 0 HH11 ARG B 29 10.194 0.896 -18.846 1.00 3.14 H new ATOM 0 HH12 ARG B 29 11.402 1.716 -19.841 1.00 3.14 H new ATOM 0 HH21 ARG B 29 9.982 0.705 -22.905 1.00 22.42 H new ATOM 0 HH22 ARG B 29 11.282 1.608 -22.121 1.00 22.42 H new ATOM 1945 N ALA B 30 4.329 3.153 -19.953 1.00 62.44 N ATOM 1946 CA ALA B 30 3.650 4.269 -20.610 1.00 62.14 C ATOM 1947 C ALA B 30 4.137 5.616 -20.063 1.00 35.14 C ATOM 1948 O ALA B 30 4.407 6.551 -20.818 1.00 2.05 O ATOM 1949 CB ALA B 30 2.141 4.142 -20.445 1.00 54.11 C ATOM 0 H ALA B 30 3.703 2.517 -19.458 1.00 62.44 H new ATOM 0 HA ALA B 30 3.892 4.232 -21.672 1.00 62.14 H new ATOM 0 HB1 ALA B 30 1.649 4.980 -20.939 1.00 54.11 H new ATOM 0 HB2 ALA B 30 1.803 3.207 -20.893 1.00 54.11 H new ATOM 0 HB3 ALA B 30 1.889 4.148 -19.385 1.00 54.11 H new ATOM 1955 N LEU B 31 4.267 5.698 -18.757 1.00 41.44 N ATOM 1956 CA LEU B 31 4.709 6.912 -18.105 1.00 14.13 C ATOM 1957 C LEU B 31 6.191 7.200 -18.296 1.00 12.45 C ATOM 1958 O LEU B 31 6.594 8.359 -18.262 1.00 20.30 O ATOM 1959 CB LEU B 31 4.250 6.983 -16.658 1.00 44.40 C ATOM 1960 CG LEU B 31 2.751 7.221 -16.480 1.00 11.32 C ATOM 1961 CD1 LEU B 31 2.329 7.028 -15.050 1.00 30.43 C ATOM 1962 CD2 LEU B 31 2.411 8.627 -16.900 1.00 44.11 C ATOM 0 H LEU B 31 4.070 4.928 -18.118 1.00 41.44 H new ATOM 0 HA LEU B 31 4.209 7.734 -18.618 1.00 14.13 H new ATOM 0 HB2 LEU B 31 4.519 6.052 -16.159 1.00 44.40 H new ATOM 0 HB3 LEU B 31 4.794 7.783 -16.156 1.00 44.40 H new ATOM 0 HG LEU B 31 2.222 6.497 -17.100 1.00 11.32 H new ATOM 0 HD11 LEU B 31 1.257 7.205 -14.960 1.00 30.43 H new ATOM 0 HD12 LEU B 31 2.556 6.008 -14.738 1.00 30.43 H new ATOM 0 HD13 LEU B 31 2.868 7.730 -14.414 1.00 30.43 H new ATOM 0 HD21 LEU B 31 1.342 8.796 -16.773 1.00 44.11 H new ATOM 0 HD22 LEU B 31 2.966 9.335 -16.285 1.00 44.11 H new ATOM 0 HD23 LEU B 31 2.679 8.769 -17.947 1.00 44.11 H new ATOM 1974 N GLU B 32 6.999 6.159 -18.475 1.00 64.24 N ATOM 1975 CA GLU B 32 8.421 6.340 -18.815 1.00 53.20 C ATOM 1976 C GLU B 32 8.554 6.980 -20.188 1.00 20.34 C ATOM 1977 O GLU B 32 9.363 7.893 -20.397 1.00 71.53 O ATOM 1978 CB GLU B 32 9.167 5.004 -18.788 1.00 41.14 C ATOM 1979 CG GLU B 32 9.355 4.424 -17.405 1.00 61.34 C ATOM 1980 CD GLU B 32 10.334 5.220 -16.567 1.00 12.23 C ATOM 1981 OE1 GLU B 32 11.518 4.807 -16.469 1.00 11.24 O ATOM 1982 OE2 GLU B 32 9.956 6.258 -16.012 1.00 61.13 O ATOM 0 H GLU B 32 6.704 5.186 -18.393 1.00 64.24 H new ATOM 0 HA GLU B 32 8.867 6.997 -18.068 1.00 53.20 H new ATOM 0 HB2 GLU B 32 8.622 4.285 -19.400 1.00 41.14 H new ATOM 0 HB3 GLU B 32 10.146 5.138 -19.249 1.00 41.14 H new ATOM 0 HG2 GLU B 32 8.392 4.389 -16.896 1.00 61.34 H new ATOM 0 HG3 GLU B 32 9.708 3.396 -17.491 1.00 61.34 H new ATOM 1989 N GLU B 33 7.728 6.524 -21.113 1.00 73.34 N ATOM 1990 CA GLU B 33 7.715 7.046 -22.468 1.00 4.35 C ATOM 1991 C GLU B 33 7.134 8.466 -22.497 1.00 61.03 C ATOM 1992 O GLU B 33 7.406 9.246 -23.403 1.00 1.31 O ATOM 1993 CB GLU B 33 6.951 6.101 -23.402 1.00 50.02 C ATOM 1994 CG GLU B 33 7.554 4.700 -23.445 1.00 32.42 C ATOM 1995 CD GLU B 33 6.828 3.758 -24.369 1.00 71.11 C ATOM 1996 OE1 GLU B 33 5.790 3.207 -23.983 1.00 2.12 O ATOM 1997 OE2 GLU B 33 7.316 3.513 -25.505 1.00 41.02 O ATOM 0 H GLU B 33 7.048 5.782 -20.946 1.00 73.34 H new ATOM 0 HA GLU B 33 8.742 7.106 -22.829 1.00 4.35 H new ATOM 0 HB2 GLU B 33 5.913 6.035 -23.076 1.00 50.02 H new ATOM 0 HB3 GLU B 33 6.943 6.520 -24.408 1.00 50.02 H new ATOM 0 HG2 GLU B 33 8.596 4.772 -23.758 1.00 32.42 H new ATOM 0 HG3 GLU B 33 7.552 4.282 -22.438 1.00 32.42 H new ATOM 2004 N LYS B 34 6.325 8.782 -21.504 1.00 20.54 N ATOM 2005 CA LYS B 34 5.761 10.122 -21.369 1.00 21.40 C ATOM 2006 C LYS B 34 6.623 11.017 -20.470 1.00 54.22 C ATOM 2007 O LYS B 34 6.388 12.219 -20.375 1.00 20.25 O ATOM 2008 CB LYS B 34 4.337 10.046 -20.832 1.00 74.23 C ATOM 2009 CG LYS B 34 3.341 9.406 -21.782 1.00 34.34 C ATOM 2010 CD LYS B 34 3.133 10.241 -23.045 1.00 14.03 C ATOM 2011 CE LYS B 34 2.454 11.566 -22.744 1.00 1.33 C ATOM 2012 NZ LYS B 34 2.242 12.367 -23.967 1.00 32.25 N ATOM 0 H LYS B 34 6.039 8.130 -20.773 1.00 20.54 H new ATOM 0 HA LYS B 34 5.745 10.572 -22.361 1.00 21.40 H new ATOM 0 HB2 LYS B 34 4.343 9.483 -19.899 1.00 74.23 H new ATOM 0 HB3 LYS B 34 3.997 11.054 -20.594 1.00 74.23 H new ATOM 0 HG2 LYS B 34 3.692 8.412 -22.059 1.00 34.34 H new ATOM 0 HG3 LYS B 34 2.386 9.276 -21.272 1.00 34.34 H new ATOM 0 HD2 LYS B 34 4.096 10.427 -23.520 1.00 14.03 H new ATOM 0 HD3 LYS B 34 2.530 9.678 -23.757 1.00 14.03 H new ATOM 0 HE2 LYS B 34 1.495 11.381 -22.261 1.00 1.33 H new ATOM 0 HE3 LYS B 34 3.062 12.133 -22.039 1.00 1.33 H new ATOM 0 HZ1 LYS B 34 1.776 13.263 -23.719 1.00 32.25 H new ATOM 0 HZ2 LYS B 34 3.159 12.566 -24.415 1.00 32.25 H new ATOM 0 HZ3 LYS B 34 1.641 11.837 -24.630 1.00 32.25 H new ATOM 2026 N GLY B 35 7.599 10.416 -19.810 1.00 61.24 N ATOM 2027 CA GLY B 35 8.535 11.152 -18.974 1.00 72.42 C ATOM 2028 C GLY B 35 7.898 11.868 -17.781 1.00 41.52 C ATOM 2029 O GLY B 35 8.307 12.977 -17.442 1.00 63.10 O ATOM 0 H GLY B 35 7.765 9.410 -19.837 1.00 61.24 H new ATOM 0 HA2 GLY B 35 9.292 10.461 -18.604 1.00 72.42 H new ATOM 0 HA3 GLY B 35 9.050 11.889 -19.590 1.00 72.42 H new ATOM 2033 N TYR B 36 6.909 11.253 -17.145 1.00 21.44 N ATOM 2034 CA TYR B 36 6.260 11.889 -15.980 1.00 63.13 C ATOM 2035 C TYR B 36 6.680 11.240 -14.683 1.00 13.45 C ATOM 2036 O TYR B 36 6.273 11.686 -13.611 1.00 44.32 O ATOM 2037 CB TYR B 36 4.730 11.811 -16.042 1.00 61.14 C ATOM 2038 CG TYR B 36 4.061 12.536 -17.173 1.00 30.42 C ATOM 2039 CD1 TYR B 36 3.343 11.844 -18.127 1.00 23.31 C ATOM 2040 CD2 TYR B 36 4.126 13.921 -17.276 1.00 11.05 C ATOM 2041 CE1 TYR B 36 2.703 12.506 -19.153 1.00 64.41 C ATOM 2042 CE2 TYR B 36 3.490 14.588 -18.304 1.00 54.24 C ATOM 2043 CZ TYR B 36 2.779 13.871 -19.238 1.00 71.24 C ATOM 2044 OH TYR B 36 2.127 14.524 -20.261 1.00 50.33 O ATOM 0 H TYR B 36 6.538 10.337 -17.399 1.00 21.44 H new ATOM 0 HA TYR B 36 6.580 12.930 -16.014 1.00 63.13 H new ATOM 0 HB2 TYR B 36 4.445 10.760 -16.096 1.00 61.14 H new ATOM 0 HB3 TYR B 36 4.332 12.201 -15.105 1.00 61.14 H new ATOM 0 HD1 TYR B 36 3.282 10.767 -18.069 1.00 23.31 H new ATOM 0 HD2 TYR B 36 4.682 14.484 -16.541 1.00 11.05 H new ATOM 0 HE1 TYR B 36 2.142 11.949 -19.889 1.00 64.41 H new ATOM 0 HE2 TYR B 36 3.550 15.664 -18.374 1.00 54.24 H new ATOM 0 HH TYR B 36 2.277 15.489 -20.181 1.00 50.33 H new ATOM 2054 N ASN B 37 7.489 10.198 -14.784 1.00 60.00 N ATOM 2055 CA ASN B 37 7.860 9.357 -13.637 1.00 23.41 C ATOM 2056 C ASN B 37 6.627 8.642 -13.096 1.00 32.02 C ATOM 2057 O ASN B 37 5.868 9.194 -12.292 1.00 64.34 O ATOM 2058 CB ASN B 37 8.633 10.104 -12.525 1.00 62.00 C ATOM 2059 CG ASN B 37 9.995 10.629 -12.978 1.00 42.33 C ATOM 2060 OD1 ASN B 37 10.624 9.961 -13.929 1.00 34.32 O flip ATOM 2061 ND2 ASN B 37 10.482 11.637 -12.465 1.00 20.32 N flip ATOM 0 H ASN B 37 7.913 9.903 -15.663 1.00 60.00 H new ATOM 0 HA ASN B 37 8.569 8.617 -14.008 1.00 23.41 H new ATOM 0 HB2 ASN B 37 8.029 10.940 -12.172 1.00 62.00 H new ATOM 0 HB3 ASN B 37 8.774 9.433 -11.678 1.00 62.00 H new ATOM 0 HD21 ASN B 37 9.974 12.133 -11.733 1.00 20.32 H new ATOM 0 HD22 ASN B 37 11.394 11.976 -12.772 1.00 20.32 H new ATOM 2068 N PRO B 38 6.413 7.393 -13.571 1.00 32.12 N ATOM 2069 CA PRO B 38 5.220 6.588 -13.283 1.00 62.42 C ATOM 2070 C PRO B 38 4.794 6.576 -11.845 1.00 71.22 C ATOM 2071 O PRO B 38 3.608 6.673 -11.543 1.00 34.53 O ATOM 2072 CB PRO B 38 5.634 5.181 -13.668 1.00 52.43 C ATOM 2073 CG PRO B 38 6.710 5.340 -14.675 1.00 45.23 C ATOM 2074 CD PRO B 38 7.345 6.675 -14.454 1.00 54.32 C ATOM 0 HA PRO B 38 4.368 7.000 -13.824 1.00 62.42 H new ATOM 0 HB2 PRO B 38 5.989 4.626 -12.800 1.00 52.43 H new ATOM 0 HB3 PRO B 38 4.792 4.624 -14.079 1.00 52.43 H new ATOM 0 HG2 PRO B 38 7.448 4.544 -14.575 1.00 45.23 H new ATOM 0 HG3 PRO B 38 6.303 5.272 -15.684 1.00 45.23 H new ATOM 0 HD2 PRO B 38 8.328 6.574 -13.994 1.00 54.32 H new ATOM 0 HD3 PRO B 38 7.487 7.206 -15.395 1.00 54.32 H new ATOM 2082 N ILE B 39 5.764 6.498 -10.973 1.00 3.03 N ATOM 2083 CA ILE B 39 5.527 6.352 -9.559 1.00 13.02 C ATOM 2084 C ILE B 39 4.682 7.492 -9.024 1.00 64.14 C ATOM 2085 O ILE B 39 3.693 7.252 -8.347 1.00 54.43 O ATOM 2086 CB ILE B 39 6.859 6.279 -8.789 1.00 60.04 C ATOM 2087 CG1 ILE B 39 7.753 5.189 -9.409 1.00 61.42 C ATOM 2088 CG2 ILE B 39 6.611 5.998 -7.304 1.00 61.35 C ATOM 2089 CD1 ILE B 39 7.131 3.805 -9.420 1.00 13.13 C ATOM 0 H ILE B 39 6.752 6.534 -11.226 1.00 3.03 H new ATOM 0 HA ILE B 39 4.981 5.420 -9.410 1.00 13.02 H new ATOM 0 HB ILE B 39 7.367 7.240 -8.865 1.00 60.04 H new ATOM 0 HG12 ILE B 39 7.996 5.474 -10.433 1.00 61.42 H new ATOM 0 HG13 ILE B 39 8.692 5.148 -8.857 1.00 61.42 H new ATOM 0 HG21 ILE B 39 7.565 5.950 -6.778 1.00 61.35 H new ATOM 0 HG22 ILE B 39 6.002 6.796 -6.879 1.00 61.35 H new ATOM 0 HG23 ILE B 39 6.089 5.047 -7.196 1.00 61.35 H new ATOM 0 HD11 ILE B 39 7.826 3.098 -9.873 1.00 13.13 H new ATOM 0 HD12 ILE B 39 6.913 3.496 -8.398 1.00 13.13 H new ATOM 0 HD13 ILE B 39 6.207 3.826 -9.997 1.00 13.13 H new ATOM 2101 N ASN B 40 5.053 8.717 -9.390 1.00 22.04 N ATOM 2102 CA ASN B 40 4.392 9.911 -8.958 1.00 35.20 C ATOM 2103 C ASN B 40 2.909 9.881 -9.305 1.00 52.53 C ATOM 2104 O ASN B 40 2.047 10.179 -8.469 1.00 73.31 O ATOM 2105 CB ASN B 40 5.014 11.080 -9.676 1.00 0.43 C ATOM 2106 CG ASN B 40 4.624 12.361 -9.058 1.00 30.30 C ATOM 2107 OD1 ASN B 40 3.604 12.961 -9.388 1.00 53.31 O ATOM 2108 ND2 ASN B 40 5.441 12.802 -8.175 1.00 21.40 N ATOM 0 H ASN B 40 5.843 8.893 -10.011 1.00 22.04 H new ATOM 0 HA ASN B 40 4.498 9.995 -7.876 1.00 35.20 H new ATOM 0 HB2 ASN B 40 6.100 10.983 -9.661 1.00 0.43 H new ATOM 0 HB3 ASN B 40 4.708 11.071 -10.722 1.00 0.43 H new ATOM 0 HD21 ASN B 40 5.258 13.691 -7.710 1.00 21.40 H new ATOM 0 HD22 ASN B 40 6.274 12.264 -7.937 1.00 21.40 H new ATOM 2115 N GLN B 41 2.619 9.504 -10.535 1.00 73.24 N ATOM 2116 CA GLN B 41 1.263 9.498 -11.020 1.00 0.24 C ATOM 2117 C GLN B 41 0.468 8.360 -10.388 1.00 62.24 C ATOM 2118 O GLN B 41 -0.718 8.509 -10.113 1.00 43.45 O ATOM 2119 CB GLN B 41 1.239 9.406 -12.548 1.00 24.23 C ATOM 2120 CG GLN B 41 2.054 10.499 -13.256 1.00 14.32 C ATOM 2121 CD GLN B 41 1.596 11.924 -12.937 1.00 5.35 C ATOM 2122 OE1 GLN B 41 2.406 12.849 -12.920 1.00 45.55 O ATOM 2123 NE2 GLN B 41 0.312 12.117 -12.737 1.00 23.14 N ATOM 0 H GLN B 41 3.313 9.197 -11.216 1.00 73.24 H new ATOM 0 HA GLN B 41 0.790 10.436 -10.731 1.00 0.24 H new ATOM 0 HB2 GLN B 41 1.622 8.431 -12.848 1.00 24.23 H new ATOM 0 HB3 GLN B 41 0.205 9.461 -12.888 1.00 24.23 H new ATOM 0 HG2 GLN B 41 3.102 10.394 -12.976 1.00 14.32 H new ATOM 0 HG3 GLN B 41 1.994 10.342 -14.333 1.00 14.32 H new ATOM 0 HE21 GLN B 41 -0.332 11.326 -12.758 1.00 23.14 H new ATOM 0 HE22 GLN B 41 -0.041 13.058 -12.561 1.00 23.14 H new ATOM 2132 N ILE B 42 1.135 7.231 -10.139 1.00 55.34 N ATOM 2133 CA ILE B 42 0.484 6.087 -9.513 1.00 74.41 C ATOM 2134 C ILE B 42 0.139 6.397 -8.059 1.00 20.44 C ATOM 2135 O ILE B 42 -1.010 6.278 -7.662 1.00 51.33 O ATOM 2136 CB ILE B 42 1.327 4.779 -9.595 1.00 13.55 C ATOM 2137 CG1 ILE B 42 1.567 4.390 -11.066 1.00 31.41 C ATOM 2138 CG2 ILE B 42 0.619 3.635 -8.847 1.00 3.43 C ATOM 2139 CD1 ILE B 42 2.431 3.153 -11.253 1.00 43.51 C ATOM 0 H ILE B 42 2.120 7.088 -10.361 1.00 55.34 H new ATOM 0 HA ILE B 42 -0.431 5.908 -10.078 1.00 74.41 H new ATOM 0 HB ILE B 42 2.292 4.957 -9.120 1.00 13.55 H new ATOM 0 HG12 ILE B 42 0.603 4.222 -11.547 1.00 31.41 H new ATOM 0 HG13 ILE B 42 2.038 5.229 -11.579 1.00 31.41 H new ATOM 0 HG21 ILE B 42 1.221 2.729 -8.914 1.00 3.43 H new ATOM 0 HG22 ILE B 42 0.491 3.909 -7.800 1.00 3.43 H new ATOM 0 HG23 ILE B 42 -0.358 3.456 -9.297 1.00 3.43 H new ATOM 0 HD11 ILE B 42 2.550 2.950 -12.317 1.00 43.51 H new ATOM 0 HD12 ILE B 42 3.410 3.322 -10.804 1.00 43.51 H new ATOM 0 HD13 ILE B 42 1.954 2.300 -10.772 1.00 43.51 H new ATOM 2151 N VAL B 43 1.126 6.830 -7.276 1.00 20.54 N ATOM 2152 CA VAL B 43 0.879 7.154 -5.872 1.00 41.04 C ATOM 2153 C VAL B 43 -0.199 8.249 -5.740 1.00 0.23 C ATOM 2154 O VAL B 43 -1.122 8.128 -4.923 1.00 3.04 O ATOM 2155 CB VAL B 43 2.191 7.497 -5.069 1.00 43.25 C ATOM 2156 CG1 VAL B 43 2.981 8.595 -5.740 1.00 24.45 C ATOM 2157 CG2 VAL B 43 1.853 7.930 -3.656 1.00 43.32 C ATOM 0 H VAL B 43 2.089 6.963 -7.583 1.00 20.54 H new ATOM 0 HA VAL B 43 0.491 6.249 -5.404 1.00 41.04 H new ATOM 0 HB VAL B 43 2.797 6.591 -5.044 1.00 43.25 H new ATOM 0 HG11 VAL B 43 3.879 8.805 -5.158 1.00 24.45 H new ATOM 0 HG12 VAL B 43 3.265 8.278 -6.744 1.00 24.45 H new ATOM 0 HG13 VAL B 43 2.371 9.496 -5.803 1.00 24.45 H new ATOM 0 HG21 VAL B 43 2.772 8.163 -3.117 1.00 43.32 H new ATOM 0 HG22 VAL B 43 1.218 8.815 -3.689 1.00 43.32 H new ATOM 0 HG23 VAL B 43 1.327 7.124 -3.145 1.00 43.32 H new ATOM 2167 N GLY B 44 -0.114 9.272 -6.590 1.00 11.13 N ATOM 2168 CA GLY B 44 -1.119 10.313 -6.593 1.00 3.42 C ATOM 2169 C GLY B 44 -2.502 9.753 -6.893 1.00 74.03 C ATOM 2170 O GLY B 44 -3.499 10.162 -6.278 1.00 44.23 O ATOM 0 H GLY B 44 0.633 9.394 -7.274 1.00 11.13 H new ATOM 0 HA2 GLY B 44 -1.130 10.812 -5.624 1.00 3.42 H new ATOM 0 HA3 GLY B 44 -0.861 11.067 -7.337 1.00 3.42 H new ATOM 2174 N TYR B 45 -2.553 8.795 -7.820 1.00 33.32 N ATOM 2175 CA TYR B 45 -3.789 8.141 -8.205 1.00 41.40 C ATOM 2176 C TYR B 45 -4.464 7.456 -7.033 1.00 74.12 C ATOM 2177 O TYR B 45 -5.636 7.698 -6.779 1.00 32.41 O ATOM 2178 CB TYR B 45 -3.574 7.134 -9.349 1.00 50.35 C ATOM 2179 CG TYR B 45 -4.810 6.313 -9.665 1.00 20.11 C ATOM 2180 CD1 TYR B 45 -4.889 4.971 -9.311 1.00 25.14 C ATOM 2181 CD2 TYR B 45 -5.902 6.883 -10.285 1.00 44.51 C ATOM 2182 CE1 TYR B 45 -6.017 4.233 -9.578 1.00 55.54 C ATOM 2183 CE2 TYR B 45 -7.033 6.149 -10.552 1.00 1.24 C ATOM 2184 CZ TYR B 45 -7.084 4.829 -10.202 1.00 72.33 C ATOM 2185 OH TYR B 45 -8.214 4.096 -10.466 1.00 33.33 O ATOM 0 H TYR B 45 -1.732 8.455 -8.322 1.00 33.32 H new ATOM 0 HA TYR B 45 -4.449 8.932 -8.561 1.00 41.40 H new ATOM 0 HB2 TYR B 45 -3.265 7.673 -10.245 1.00 50.35 H new ATOM 0 HB3 TYR B 45 -2.758 6.462 -9.084 1.00 50.35 H new ATOM 0 HD1 TYR B 45 -4.051 4.501 -8.818 1.00 25.14 H new ATOM 0 HD2 TYR B 45 -5.868 7.925 -10.566 1.00 44.51 H new ATOM 0 HE1 TYR B 45 -6.063 3.191 -9.299 1.00 55.54 H new ATOM 0 HE2 TYR B 45 -7.879 6.614 -11.037 1.00 1.24 H new ATOM 0 HH TYR B 45 -8.427 3.533 -9.693 1.00 33.33 H new ATOM 2195 N LEU B 46 -3.741 6.614 -6.317 1.00 41.14 N ATOM 2196 CA LEU B 46 -4.359 5.886 -5.224 1.00 34.12 C ATOM 2197 C LEU B 46 -4.777 6.792 -4.078 1.00 11.11 C ATOM 2198 O LEU B 46 -5.864 6.637 -3.540 1.00 33.40 O ATOM 2199 CB LEU B 46 -3.554 4.663 -4.725 1.00 71.32 C ATOM 2200 CG LEU B 46 -3.383 3.479 -5.712 1.00 5.45 C ATOM 2201 CD1 LEU B 46 -2.400 3.769 -6.808 1.00 3.53 C ATOM 2202 CD2 LEU B 46 -3.026 2.212 -4.984 1.00 23.13 C ATOM 0 H LEU B 46 -2.751 6.420 -6.466 1.00 41.14 H new ATOM 0 HA LEU B 46 -5.267 5.471 -5.662 1.00 34.12 H new ATOM 0 HB2 LEU B 46 -2.561 5.007 -4.434 1.00 71.32 H new ATOM 0 HB3 LEU B 46 -4.037 4.285 -3.824 1.00 71.32 H new ATOM 0 HG LEU B 46 -4.350 3.338 -6.194 1.00 5.45 H new ATOM 0 HD11 LEU B 46 -2.323 2.904 -7.466 1.00 3.53 H new ATOM 0 HD12 LEU B 46 -2.738 4.632 -7.381 1.00 3.53 H new ATOM 0 HD13 LEU B 46 -1.423 3.982 -6.374 1.00 3.53 H new ATOM 0 HD21 LEU B 46 -2.913 1.400 -5.702 1.00 23.13 H new ATOM 0 HD22 LEU B 46 -2.089 2.354 -4.445 1.00 23.13 H new ATOM 0 HD23 LEU B 46 -3.817 1.963 -4.277 1.00 23.13 H new ATOM 2214 N LEU B 47 -3.944 7.748 -3.721 1.00 11.14 N ATOM 2215 CA LEU B 47 -4.288 8.677 -2.654 1.00 73.32 C ATOM 2216 C LEU B 47 -5.478 9.583 -2.998 1.00 75.41 C ATOM 2217 O LEU B 47 -6.280 9.907 -2.126 1.00 24.42 O ATOM 2218 CB LEU B 47 -3.079 9.503 -2.190 1.00 42.44 C ATOM 2219 CG LEU B 47 -2.048 8.809 -1.269 1.00 54.13 C ATOM 2220 CD1 LEU B 47 -2.680 8.413 0.051 1.00 31.24 C ATOM 2221 CD2 LEU B 47 -1.405 7.600 -1.915 1.00 3.03 C ATOM 0 H LEU B 47 -3.031 7.905 -4.147 1.00 11.14 H new ATOM 0 HA LEU B 47 -4.604 8.052 -1.819 1.00 73.32 H new ATOM 0 HB2 LEU B 47 -2.553 9.856 -3.077 1.00 42.44 H new ATOM 0 HB3 LEU B 47 -3.454 10.385 -1.670 1.00 42.44 H new ATOM 0 HG LEU B 47 -1.260 9.540 -1.088 1.00 54.13 H new ATOM 0 HD11 LEU B 47 -1.934 7.927 0.680 1.00 31.24 H new ATOM 0 HD12 LEU B 47 -3.056 9.303 0.556 1.00 31.24 H new ATOM 0 HD13 LEU B 47 -3.504 7.724 -0.133 1.00 31.24 H new ATOM 0 HD21 LEU B 47 -0.691 7.154 -1.223 1.00 3.03 H new ATOM 0 HD22 LEU B 47 -2.174 6.869 -2.164 1.00 3.03 H new ATOM 0 HD23 LEU B 47 -0.887 7.906 -2.824 1.00 3.03 H new ATOM 2233 N SER B 48 -5.607 9.985 -4.248 1.00 4.13 N ATOM 2234 CA SER B 48 -6.711 10.863 -4.609 1.00 65.55 C ATOM 2235 C SER B 48 -7.941 10.090 -5.113 1.00 75.30 C ATOM 2236 O SER B 48 -9.066 10.573 -4.989 1.00 53.45 O ATOM 2237 CB SER B 48 -6.258 11.857 -5.668 1.00 11.23 C ATOM 2238 OG SER B 48 -5.137 12.622 -5.221 1.00 35.42 O ATOM 0 H SER B 48 -4.983 9.729 -5.013 1.00 4.13 H new ATOM 0 HA SER B 48 -7.010 11.391 -3.703 1.00 65.55 H new ATOM 0 HB2 SER B 48 -5.995 11.323 -6.581 1.00 11.23 H new ATOM 0 HB3 SER B 48 -7.081 12.527 -5.916 1.00 11.23 H new ATOM 0 HG SER B 48 -4.663 12.991 -5.995 1.00 35.42 H new ATOM 2244 N GLY B 49 -7.734 8.887 -5.649 1.00 13.03 N ATOM 2245 CA GLY B 49 -8.838 8.129 -6.201 1.00 53.50 C ATOM 2246 C GLY B 49 -9.381 8.804 -7.446 1.00 34.54 C ATOM 2247 O GLY B 49 -10.592 8.815 -7.688 1.00 24.41 O ATOM 0 H GLY B 49 -6.825 8.429 -5.709 1.00 13.03 H new ATOM 0 HA2 GLY B 49 -8.507 7.119 -6.444 1.00 53.50 H new ATOM 0 HA3 GLY B 49 -9.629 8.035 -5.457 1.00 53.50 H new ATOM 2251 N ASP B 50 -8.484 9.365 -8.239 1.00 72.22 N ATOM 2252 CA ASP B 50 -8.885 10.126 -9.407 1.00 45.34 C ATOM 2253 C ASP B 50 -8.144 9.641 -10.646 1.00 51.51 C ATOM 2254 O ASP B 50 -6.923 9.600 -10.660 1.00 11.11 O ATOM 2255 CB ASP B 50 -8.610 11.604 -9.191 1.00 35.21 C ATOM 2256 CG ASP B 50 -9.146 12.450 -10.313 1.00 30.21 C ATOM 2257 OD1 ASP B 50 -10.275 12.977 -10.186 1.00 71.44 O ATOM 2258 OD2 ASP B 50 -8.467 12.595 -11.332 1.00 24.12 O ATOM 0 H ASP B 50 -7.476 9.307 -8.095 1.00 72.22 H new ATOM 0 HA ASP B 50 -9.954 9.979 -9.559 1.00 45.34 H new ATOM 0 HB2 ASP B 50 -9.060 11.922 -8.251 1.00 35.21 H new ATOM 0 HB3 ASP B 50 -7.535 11.763 -9.100 1.00 35.21 H new ATOM 2263 N PRO B 51 -8.881 9.294 -11.702 1.00 53.42 N ATOM 2264 CA PRO B 51 -8.324 8.719 -12.944 1.00 40.11 C ATOM 2265 C PRO B 51 -7.383 9.653 -13.737 1.00 23.23 C ATOM 2266 O PRO B 51 -6.504 9.168 -14.469 1.00 2.44 O ATOM 2267 CB PRO B 51 -9.576 8.403 -13.773 1.00 12.14 C ATOM 2268 CG PRO B 51 -10.605 9.328 -13.252 1.00 33.20 C ATOM 2269 CD PRO B 51 -10.344 9.429 -11.789 1.00 23.35 C ATOM 0 HA PRO B 51 -7.690 7.863 -12.713 1.00 40.11 H new ATOM 0 HB2 PRO B 51 -9.399 8.563 -14.837 1.00 12.14 H new ATOM 0 HB3 PRO B 51 -9.880 7.363 -13.654 1.00 12.14 H new ATOM 0 HG2 PRO B 51 -10.534 10.304 -13.732 1.00 33.20 H new ATOM 0 HG3 PRO B 51 -11.608 8.949 -13.447 1.00 33.20 H new ATOM 0 HD2 PRO B 51 -10.686 10.381 -11.383 1.00 23.35 H new ATOM 0 HD3 PRO B 51 -10.855 8.643 -11.233 1.00 23.35 H new ATOM 2277 N ALA B 52 -7.540 10.972 -13.572 1.00 62.32 N ATOM 2278 CA ALA B 52 -6.806 11.973 -14.373 1.00 62.54 C ATOM 2279 C ALA B 52 -5.282 11.909 -14.215 1.00 53.33 C ATOM 2280 O ALA B 52 -4.551 12.536 -14.988 1.00 41.41 O ATOM 2281 CB ALA B 52 -7.320 13.372 -14.108 1.00 54.45 C ATOM 0 H ALA B 52 -8.174 11.379 -12.885 1.00 62.32 H new ATOM 0 HA ALA B 52 -7.005 11.713 -15.413 1.00 62.54 H new ATOM 0 HB1 ALA B 52 -6.760 14.086 -14.712 1.00 54.45 H new ATOM 0 HB2 ALA B 52 -8.377 13.427 -14.368 1.00 54.45 H new ATOM 0 HB3 ALA B 52 -7.194 13.612 -13.052 1.00 54.45 H new ATOM 2287 N TYR B 53 -4.809 11.167 -13.233 1.00 42.55 N ATOM 2288 CA TYR B 53 -3.384 11.012 -13.005 1.00 53.40 C ATOM 2289 C TYR B 53 -2.664 10.260 -14.119 1.00 60.41 C ATOM 2290 O TYR B 53 -1.452 10.403 -14.276 1.00 31.12 O ATOM 2291 CB TYR B 53 -3.115 10.344 -11.676 1.00 44.31 C ATOM 2292 CG TYR B 53 -3.349 11.264 -10.534 1.00 32.13 C ATOM 2293 CD1 TYR B 53 -2.354 12.120 -10.133 1.00 43.01 C ATOM 2294 CD2 TYR B 53 -4.547 11.291 -9.865 1.00 34.42 C ATOM 2295 CE1 TYR B 53 -2.536 12.977 -9.097 1.00 41.12 C ATOM 2296 CE2 TYR B 53 -4.747 12.151 -8.822 1.00 60.44 C ATOM 2297 CZ TYR B 53 -3.741 12.994 -8.437 1.00 5.20 C ATOM 2298 OH TYR B 53 -3.934 13.848 -7.372 1.00 12.31 O ATOM 0 H TYR B 53 -5.397 10.657 -12.574 1.00 42.55 H new ATOM 0 HA TYR B 53 -2.979 12.024 -12.995 1.00 53.40 H new ATOM 0 HB2 TYR B 53 -3.756 9.469 -11.574 1.00 44.31 H new ATOM 0 HB3 TYR B 53 -2.085 9.989 -11.650 1.00 44.31 H new ATOM 0 HD1 TYR B 53 -1.407 12.111 -10.652 1.00 43.01 H new ATOM 0 HD2 TYR B 53 -5.341 10.624 -10.167 1.00 34.42 H new ATOM 0 HE1 TYR B 53 -1.740 13.641 -8.793 1.00 41.12 H new ATOM 0 HE2 TYR B 53 -5.695 12.165 -8.304 1.00 60.44 H new ATOM 0 HH TYR B 53 -4.769 14.346 -7.499 1.00 12.31 H new ATOM 2308 N ILE B 54 -3.386 9.462 -14.889 1.00 3.53 N ATOM 2309 CA ILE B 54 -2.748 8.718 -15.969 1.00 62.31 C ATOM 2310 C ILE B 54 -3.179 9.280 -17.315 1.00 60.34 C ATOM 2311 O ILE B 54 -4.366 9.285 -17.639 1.00 41.12 O ATOM 2312 CB ILE B 54 -3.061 7.180 -15.930 1.00 10.44 C ATOM 2313 CG1 ILE B 54 -2.730 6.596 -14.547 1.00 1.45 C ATOM 2314 CG2 ILE B 54 -2.272 6.440 -17.019 1.00 5.33 C ATOM 2315 CD1 ILE B 54 -1.285 6.771 -14.112 1.00 23.12 C ATOM 0 H ILE B 54 -4.390 9.313 -14.793 1.00 3.53 H new ATOM 0 HA ILE B 54 -1.673 8.835 -15.829 1.00 62.31 H new ATOM 0 HB ILE B 54 -4.126 7.045 -16.120 1.00 10.44 H new ATOM 0 HG12 ILE B 54 -3.377 7.064 -13.806 1.00 1.45 H new ATOM 0 HG13 ILE B 54 -2.968 5.532 -14.551 1.00 1.45 H new ATOM 0 HG21 ILE B 54 -2.503 5.376 -16.976 1.00 5.33 H new ATOM 0 HG22 ILE B 54 -2.548 6.831 -17.998 1.00 5.33 H new ATOM 0 HG23 ILE B 54 -1.204 6.587 -16.858 1.00 5.33 H new ATOM 0 HD11 ILE B 54 -1.146 6.329 -13.126 1.00 23.12 H new ATOM 0 HD12 ILE B 54 -0.627 6.277 -14.827 1.00 23.12 H new ATOM 0 HD13 ILE B 54 -1.044 7.833 -14.071 1.00 23.12 H new ATOM 2327 N PRO B 55 -2.232 9.794 -18.100 1.00 53.34 N ATOM 2328 CA PRO B 55 -2.509 10.300 -19.435 1.00 72.40 C ATOM 2329 C PRO B 55 -2.654 9.146 -20.431 1.00 63.50 C ATOM 2330 O PRO B 55 -1.967 8.112 -20.313 1.00 41.52 O ATOM 2331 CB PRO B 55 -1.280 11.142 -19.753 1.00 43.11 C ATOM 2332 CG PRO B 55 -0.181 10.525 -18.966 1.00 33.41 C ATOM 2333 CD PRO B 55 -0.812 9.917 -17.745 1.00 64.51 C ATOM 0 HA PRO B 55 -3.439 10.865 -19.496 1.00 72.40 H new ATOM 0 HB2 PRO B 55 -1.057 11.129 -20.820 1.00 43.11 H new ATOM 0 HB3 PRO B 55 -1.431 12.184 -19.471 1.00 43.11 H new ATOM 0 HG2 PRO B 55 0.336 9.766 -19.553 1.00 33.41 H new ATOM 0 HG3 PRO B 55 0.561 11.272 -18.686 1.00 33.41 H new ATOM 0 HD2 PRO B 55 -0.374 8.947 -17.511 1.00 64.51 H new ATOM 0 HD3 PRO B 55 -0.674 10.549 -16.868 1.00 64.51 H new ATOM 2341 N ARG B 56 -3.523 9.299 -21.401 1.00 35.25 N ATOM 2342 CA ARG B 56 -3.767 8.216 -22.311 1.00 32.02 C ATOM 2343 C ARG B 56 -2.802 8.129 -23.477 1.00 30.22 C ATOM 2344 O ARG B 56 -3.108 8.503 -24.612 1.00 3.31 O ATOM 2345 CB ARG B 56 -5.228 8.056 -22.724 1.00 42.10 C ATOM 2346 CG ARG B 56 -5.872 9.249 -23.389 1.00 35.24 C ATOM 2347 CD ARG B 56 -7.307 8.922 -23.719 1.00 14.43 C ATOM 2348 NE ARG B 56 -8.003 10.007 -24.395 1.00 32.31 N ATOM 2349 CZ ARG B 56 -9.263 9.935 -24.827 1.00 3.20 C ATOM 2350 NH1 ARG B 56 -9.995 8.859 -24.565 1.00 62.43 N ATOM 2351 NH2 ARG B 56 -9.794 10.950 -25.489 1.00 73.30 N ATOM 0 H ARG B 56 -4.062 10.147 -21.576 1.00 35.25 H new ATOM 0 HA ARG B 56 -3.543 7.336 -21.708 1.00 32.02 H new ATOM 0 HB2 ARG B 56 -5.300 7.206 -23.403 1.00 42.10 H new ATOM 0 HB3 ARG B 56 -5.809 7.805 -21.836 1.00 42.10 H new ATOM 0 HG2 ARG B 56 -5.827 10.116 -22.729 1.00 35.24 H new ATOM 0 HG3 ARG B 56 -5.329 9.511 -24.297 1.00 35.24 H new ATOM 0 HD2 ARG B 56 -7.334 8.033 -24.350 1.00 14.43 H new ATOM 0 HD3 ARG B 56 -7.837 8.677 -22.799 1.00 14.43 H new ATOM 0 HE ARG B 56 -7.495 10.878 -24.548 1.00 32.31 H new ATOM 0 HH11 ARG B 56 -9.594 8.087 -24.033 1.00 62.43 H new ATOM 0 HH12 ARG B 56 -10.958 8.805 -24.896 1.00 62.43 H new ATOM 0 HH21 ARG B 56 -9.240 11.787 -25.669 1.00 73.30 H new ATOM 0 HH22 ARG B 56 -10.757 10.895 -25.819 1.00 73.30 H new ATOM 2365 N TYR B 57 -1.612 7.706 -23.157 1.00 45.22 N ATOM 2366 CA TYR B 57 -0.620 7.390 -24.144 1.00 70.31 C ATOM 2367 C TYR B 57 -0.829 5.960 -24.604 1.00 3.42 C ATOM 2368 O TYR B 57 -0.500 5.586 -25.740 1.00 50.21 O ATOM 2369 CB TYR B 57 0.776 7.543 -23.543 1.00 15.23 C ATOM 2370 CG TYR B 57 1.900 7.115 -24.465 1.00 12.12 C ATOM 2371 CD1 TYR B 57 2.388 7.962 -25.449 1.00 54.22 C ATOM 2372 CD2 TYR B 57 2.461 5.854 -24.349 1.00 60.35 C ATOM 2373 CE1 TYR B 57 3.405 7.562 -26.288 1.00 3.40 C ATOM 2374 CE2 TYR B 57 3.469 5.445 -25.178 1.00 1.21 C ATOM 2375 CZ TYR B 57 3.946 6.301 -26.149 1.00 23.31 C ATOM 2376 OH TYR B 57 4.958 5.894 -26.990 1.00 63.32 O ATOM 0 H TYR B 57 -1.301 7.570 -22.195 1.00 45.22 H new ATOM 0 HA TYR B 57 -0.712 8.068 -24.992 1.00 70.31 H new ATOM 0 HB2 TYR B 57 0.927 8.586 -23.264 1.00 15.23 H new ATOM 0 HB3 TYR B 57 0.831 6.957 -22.626 1.00 15.23 H new ATOM 0 HD1 TYR B 57 1.965 8.949 -25.559 1.00 54.22 H new ATOM 0 HD2 TYR B 57 2.095 5.180 -23.589 1.00 60.35 H new ATOM 0 HE1 TYR B 57 3.776 8.232 -27.050 1.00 3.40 H new ATOM 0 HE2 TYR B 57 3.890 4.456 -25.073 1.00 1.21 H new ATOM 0 HH TYR B 57 5.228 4.981 -26.759 1.00 63.32 H new ATOM 2386 N GLN B 58 -1.391 5.170 -23.733 1.00 61.50 N ATOM 2387 CA GLN B 58 -1.600 3.794 -24.009 1.00 72.35 C ATOM 2388 C GLN B 58 -2.887 3.385 -23.300 1.00 43.34 C ATOM 2389 O GLN B 58 -3.411 4.159 -22.476 1.00 5.12 O ATOM 2390 CB GLN B 58 -0.419 2.993 -23.446 1.00 24.23 C ATOM 2391 CG GLN B 58 -0.213 1.643 -24.096 1.00 45.44 C ATOM 2392 CD GLN B 58 0.827 0.805 -23.397 1.00 52.15 C ATOM 2393 OE1 GLN B 58 1.756 1.323 -22.790 1.00 2.24 O ATOM 2394 NE2 GLN B 58 0.695 -0.487 -23.505 1.00 12.24 N ATOM 0 H GLN B 58 -1.714 5.471 -22.814 1.00 61.50 H new ATOM 0 HA GLN B 58 -1.677 3.607 -25.080 1.00 72.35 H new ATOM 0 HB2 GLN B 58 0.491 3.581 -23.562 1.00 24.23 H new ATOM 0 HB3 GLN B 58 -0.571 2.848 -22.376 1.00 24.23 H new ATOM 0 HG2 GLN B 58 -1.160 1.103 -24.107 1.00 45.44 H new ATOM 0 HG3 GLN B 58 0.083 1.788 -25.135 1.00 45.44 H new ATOM 0 HE21 GLN B 58 -0.094 -0.878 -24.020 1.00 12.24 H new ATOM 0 HE22 GLN B 58 1.381 -1.107 -23.075 1.00 12.24 H new ATOM 2403 N ASP B 59 -3.367 2.181 -23.581 1.00 51.31 N ATOM 2404 CA ASP B 59 -4.595 1.630 -22.979 1.00 34.31 C ATOM 2405 C ASP B 59 -4.500 1.495 -21.457 1.00 50.14 C ATOM 2406 O ASP B 59 -5.492 1.253 -20.787 1.00 1.43 O ATOM 2407 CB ASP B 59 -5.028 0.303 -23.644 1.00 14.12 C ATOM 2408 CG ASP B 59 -4.018 -0.820 -23.535 1.00 23.52 C ATOM 2409 OD1 ASP B 59 -4.210 -1.715 -22.707 1.00 63.24 O ATOM 2410 OD2 ASP B 59 -3.024 -0.823 -24.305 1.00 35.41 O ATOM 0 H ASP B 59 -2.917 1.545 -24.239 1.00 51.31 H new ATOM 0 HA ASP B 59 -5.379 2.360 -23.178 1.00 34.31 H new ATOM 0 HB2 ASP B 59 -5.965 -0.024 -23.193 1.00 14.12 H new ATOM 0 HB3 ASP B 59 -5.230 0.490 -24.699 1.00 14.12 H new ATOM 2415 N ALA B 60 -3.287 1.648 -20.927 1.00 42.12 N ATOM 2416 CA ALA B 60 -3.016 1.620 -19.485 1.00 13.14 C ATOM 2417 C ALA B 60 -3.949 2.564 -18.698 1.00 5.10 C ATOM 2418 O ALA B 60 -4.314 2.273 -17.562 1.00 21.12 O ATOM 2419 CB ALA B 60 -1.562 1.984 -19.227 1.00 52.22 C ATOM 0 H ALA B 60 -2.451 1.797 -21.493 1.00 42.12 H new ATOM 0 HA ALA B 60 -3.210 0.607 -19.132 1.00 13.14 H new ATOM 0 HB1 ALA B 60 -1.366 1.962 -18.155 1.00 52.22 H new ATOM 0 HB2 ALA B 60 -0.913 1.267 -19.730 1.00 52.22 H new ATOM 0 HB3 ALA B 60 -1.364 2.985 -19.611 1.00 52.22 H new ATOM 2425 N ARG B 61 -4.327 3.688 -19.320 1.00 55.14 N ATOM 2426 CA ARG B 61 -5.255 4.655 -18.733 1.00 64.14 C ATOM 2427 C ARG B 61 -6.592 3.967 -18.441 1.00 43.22 C ATOM 2428 O ARG B 61 -7.234 4.233 -17.434 1.00 53.05 O ATOM 2429 CB ARG B 61 -5.392 5.858 -19.719 1.00 62.11 C ATOM 2430 CG ARG B 61 -6.208 7.107 -19.271 1.00 35.55 C ATOM 2431 CD ARG B 61 -7.703 7.114 -19.696 1.00 32.53 C ATOM 2432 NE ARG B 61 -8.549 6.132 -19.014 1.00 2.11 N ATOM 2433 CZ ARG B 61 -9.818 5.838 -19.366 1.00 73.12 C ATOM 2434 NH1 ARG B 61 -10.390 6.433 -20.411 1.00 74.11 N ATOM 2435 NH2 ARG B 61 -10.506 4.947 -18.664 1.00 2.52 N ATOM 0 H ARG B 61 -3.995 3.951 -20.248 1.00 55.14 H new ATOM 0 HA ARG B 61 -4.886 5.039 -17.782 1.00 64.14 H new ATOM 0 HB2 ARG B 61 -4.386 6.194 -19.971 1.00 62.11 H new ATOM 0 HB3 ARG B 61 -5.842 5.482 -20.638 1.00 62.11 H new ATOM 0 HG2 ARG B 61 -6.156 7.183 -18.185 1.00 35.55 H new ATOM 0 HG3 ARG B 61 -5.728 7.998 -19.676 1.00 35.55 H new ATOM 0 HD2 ARG B 61 -8.111 8.109 -19.516 1.00 32.53 H new ATOM 0 HD3 ARG B 61 -7.760 6.936 -20.770 1.00 32.53 H new ATOM 0 HE ARG B 61 -8.151 5.635 -18.217 1.00 2.11 H new ATOM 0 HH11 ARG B 61 -9.868 7.120 -20.956 1.00 74.11 H new ATOM 0 HH12 ARG B 61 -11.350 6.202 -20.667 1.00 74.11 H new ATOM 0 HH21 ARG B 61 -10.075 4.487 -17.862 1.00 2.52 H new ATOM 0 HH22 ARG B 61 -11.466 4.722 -18.927 1.00 2.52 H new ATOM 2449 N ASN B 62 -6.999 3.083 -19.326 1.00 75.21 N ATOM 2450 CA ASN B 62 -8.232 2.321 -19.150 1.00 10.23 C ATOM 2451 C ASN B 62 -8.012 1.221 -18.132 1.00 34.11 C ATOM 2452 O ASN B 62 -8.861 0.982 -17.259 1.00 72.34 O ATOM 2453 CB ASN B 62 -8.691 1.686 -20.467 1.00 20.21 C ATOM 2454 CG ASN B 62 -8.912 2.677 -21.581 1.00 64.01 C ATOM 2455 OD1 ASN B 62 -8.000 2.974 -22.353 1.00 22.31 O ATOM 2456 ND2 ASN B 62 -10.103 3.183 -21.687 1.00 20.45 N ATOM 0 H ASN B 62 -6.493 2.868 -20.185 1.00 75.21 H new ATOM 0 HA ASN B 62 -9.002 3.011 -18.806 1.00 10.23 H new ATOM 0 HB2 ASN B 62 -7.946 0.957 -20.786 1.00 20.21 H new ATOM 0 HB3 ASN B 62 -9.618 1.140 -20.291 1.00 20.21 H new ATOM 0 HD21 ASN B 62 -10.309 3.851 -22.429 1.00 20.45 H new ATOM 0 HD22 ASN B 62 -10.833 2.912 -21.028 1.00 20.45 H new ATOM 2463 N LEU B 63 -6.862 0.558 -18.256 1.00 72.01 N ATOM 2464 CA LEU B 63 -6.483 -0.567 -17.400 1.00 3.23 C ATOM 2465 C LEU B 63 -6.450 -0.170 -15.934 1.00 12.32 C ATOM 2466 O LEU B 63 -7.000 -0.856 -15.089 1.00 31.41 O ATOM 2467 CB LEU B 63 -5.104 -1.116 -17.794 1.00 25.42 C ATOM 2468 CG LEU B 63 -4.924 -1.605 -19.235 1.00 73.13 C ATOM 2469 CD1 LEU B 63 -3.500 -2.107 -19.432 1.00 21.04 C ATOM 2470 CD2 LEU B 63 -5.924 -2.706 -19.561 1.00 31.50 C ATOM 0 H LEU B 63 -6.161 0.789 -18.960 1.00 72.01 H new ATOM 0 HA LEU B 63 -7.240 -1.338 -17.542 1.00 3.23 H new ATOM 0 HB2 LEU B 63 -4.366 -0.336 -17.609 1.00 25.42 H new ATOM 0 HB3 LEU B 63 -4.868 -1.944 -17.126 1.00 25.42 H new ATOM 0 HG LEU B 63 -5.107 -0.772 -19.913 1.00 73.13 H new ATOM 0 HD11 LEU B 63 -3.375 -2.454 -20.458 1.00 21.04 H new ATOM 0 HD12 LEU B 63 -2.798 -1.297 -19.235 1.00 21.04 H new ATOM 0 HD13 LEU B 63 -3.306 -2.930 -18.744 1.00 21.04 H new ATOM 0 HD21 LEU B 63 -5.778 -3.038 -20.589 1.00 31.50 H new ATOM 0 HD22 LEU B 63 -5.773 -3.547 -18.884 1.00 31.50 H new ATOM 0 HD23 LEU B 63 -6.938 -2.323 -19.444 1.00 31.50 H new ATOM 2482 N ILE B 64 -5.818 0.947 -15.631 1.00 72.22 N ATOM 2483 CA ILE B 64 -5.691 1.379 -14.245 1.00 3.03 C ATOM 2484 C ILE B 64 -7.051 1.795 -13.708 1.00 52.12 C ATOM 2485 O ILE B 64 -7.359 1.604 -12.554 1.00 75.35 O ATOM 2486 CB ILE B 64 -4.703 2.586 -14.097 1.00 75.10 C ATOM 2487 CG1 ILE B 64 -4.367 2.803 -12.611 1.00 72.41 C ATOM 2488 CG2 ILE B 64 -5.325 3.879 -14.703 1.00 44.34 C ATOM 2489 CD1 ILE B 64 -3.329 3.873 -12.356 1.00 34.30 C ATOM 0 H ILE B 64 -5.387 1.569 -16.315 1.00 72.22 H new ATOM 0 HA ILE B 64 -5.295 0.537 -13.678 1.00 3.03 H new ATOM 0 HB ILE B 64 -3.786 2.359 -14.641 1.00 75.10 H new ATOM 0 HG12 ILE B 64 -5.281 3.066 -12.079 1.00 72.41 H new ATOM 0 HG13 ILE B 64 -4.013 1.862 -12.190 1.00 72.41 H new ATOM 0 HG21 ILE B 64 -4.625 4.707 -14.591 1.00 44.34 H new ATOM 0 HG22 ILE B 64 -5.534 3.721 -15.761 1.00 44.34 H new ATOM 0 HG23 ILE B 64 -6.252 4.116 -14.182 1.00 44.34 H new ATOM 0 HD11 ILE B 64 -3.152 3.960 -11.284 1.00 34.30 H new ATOM 0 HD12 ILE B 64 -2.399 3.604 -12.856 1.00 34.30 H new ATOM 0 HD13 ILE B 64 -3.687 4.827 -12.744 1.00 34.30 H new ATOM 2501 N ARG B 65 -7.868 2.286 -14.601 1.00 22.21 N ATOM 2502 CA ARG B 65 -9.106 2.900 -14.268 1.00 20.34 C ATOM 2503 C ARG B 65 -10.102 1.843 -13.769 1.00 31.51 C ATOM 2504 O ARG B 65 -10.928 2.117 -12.895 1.00 32.11 O ATOM 2505 CB ARG B 65 -9.598 3.652 -15.519 1.00 63.53 C ATOM 2506 CG ARG B 65 -10.584 4.772 -15.283 1.00 63.42 C ATOM 2507 CD ARG B 65 -11.904 4.299 -14.761 1.00 62.12 C ATOM 2508 NE ARG B 65 -12.616 3.453 -15.731 1.00 1.50 N ATOM 2509 CZ ARG B 65 -13.707 2.724 -15.473 1.00 41.31 C ATOM 2510 NH1 ARG B 65 -14.249 2.719 -14.256 1.00 75.04 N ATOM 2511 NH2 ARG B 65 -14.252 2.004 -16.444 1.00 34.01 N ATOM 0 H ARG B 65 -7.678 2.265 -15.603 1.00 22.21 H new ATOM 0 HA ARG B 65 -8.996 3.615 -13.452 1.00 20.34 H new ATOM 0 HB2 ARG B 65 -8.730 4.063 -16.034 1.00 63.53 H new ATOM 0 HB3 ARG B 65 -10.056 2.929 -16.194 1.00 63.53 H new ATOM 0 HG2 ARG B 65 -10.155 5.482 -14.576 1.00 63.42 H new ATOM 0 HG3 ARG B 65 -10.743 5.310 -16.218 1.00 63.42 H new ATOM 0 HD2 ARG B 65 -11.748 3.739 -13.839 1.00 62.12 H new ATOM 0 HD3 ARG B 65 -12.523 5.160 -14.510 1.00 62.12 H new ATOM 0 HE ARG B 65 -12.246 3.420 -16.681 1.00 1.50 H new ATOM 0 HH11 ARG B 65 -13.832 3.275 -13.510 1.00 75.04 H new ATOM 0 HH12 ARG B 65 -15.081 2.159 -14.071 1.00 75.04 H new ATOM 0 HH21 ARG B 65 -13.839 2.010 -17.377 1.00 34.01 H new ATOM 0 HH22 ARG B 65 -15.084 1.444 -16.258 1.00 34.01 H new ATOM 2525 N ARG B 66 -9.996 0.640 -14.300 1.00 73.11 N ATOM 2526 CA ARG B 66 -10.879 -0.441 -13.887 1.00 21.01 C ATOM 2527 C ARG B 66 -10.451 -1.032 -12.537 1.00 32.12 C ATOM 2528 O ARG B 66 -11.220 -1.725 -11.880 1.00 44.31 O ATOM 2529 CB ARG B 66 -11.012 -1.522 -14.969 1.00 65.43 C ATOM 2530 CG ARG B 66 -9.696 -2.106 -15.438 1.00 11.32 C ATOM 2531 CD ARG B 66 -9.902 -3.201 -16.458 1.00 42.24 C ATOM 2532 NE ARG B 66 -10.610 -4.339 -15.884 1.00 34.24 N ATOM 2533 CZ ARG B 66 -10.782 -5.513 -16.481 1.00 55.04 C ATOM 2534 NH1 ARG B 66 -10.297 -5.726 -17.705 1.00 31.21 N ATOM 2535 NH2 ARG B 66 -11.434 -6.477 -15.847 1.00 31.45 N ATOM 0 H ARG B 66 -9.313 0.385 -15.013 1.00 73.11 H new ATOM 0 HA ARG B 66 -11.871 -0.011 -13.752 1.00 21.01 H new ATOM 0 HB2 ARG B 66 -11.636 -2.328 -14.584 1.00 65.43 H new ATOM 0 HB3 ARG B 66 -11.533 -1.097 -15.827 1.00 65.43 H new ATOM 0 HG2 ARG B 66 -9.081 -1.317 -15.871 1.00 11.32 H new ATOM 0 HG3 ARG B 66 -9.149 -2.503 -14.583 1.00 11.32 H new ATOM 0 HD2 ARG B 66 -10.466 -2.810 -17.305 1.00 42.24 H new ATOM 0 HD3 ARG B 66 -8.936 -3.528 -16.842 1.00 42.24 H new ATOM 0 HE ARG B 66 -11.004 -4.225 -14.950 1.00 34.24 H new ATOM 0 HH11 ARG B 66 -9.790 -4.985 -18.189 1.00 31.21 H new ATOM 0 HH12 ARG B 66 -10.433 -6.630 -18.157 1.00 31.21 H new ATOM 0 HH21 ARG B 66 -11.799 -6.314 -14.909 1.00 31.45 H new ATOM 0 HH22 ARG B 66 -11.571 -7.382 -16.298 1.00 31.45 H new ATOM 2549 N HIS B 67 -9.231 -0.748 -12.121 1.00 62.44 N ATOM 2550 CA HIS B 67 -8.766 -1.172 -10.812 1.00 54.13 C ATOM 2551 C HIS B 67 -8.753 0.061 -9.944 1.00 72.12 C ATOM 2552 O HIS B 67 -7.766 0.768 -9.898 1.00 32.53 O ATOM 2553 CB HIS B 67 -7.357 -1.808 -10.847 1.00 14.12 C ATOM 2554 CG HIS B 67 -7.205 -2.976 -11.779 1.00 62.31 C ATOM 2555 ND1 HIS B 67 -7.538 -4.272 -11.449 1.00 23.12 N ATOM 2556 CD2 HIS B 67 -6.737 -3.033 -13.039 1.00 1.53 C ATOM 2557 CE1 HIS B 67 -7.275 -5.062 -12.469 1.00 54.31 C ATOM 2558 NE2 HIS B 67 -6.789 -4.332 -13.439 1.00 62.50 N ATOM 0 H HIS B 67 -8.545 -0.227 -12.668 1.00 62.44 H new ATOM 0 HA HIS B 67 -9.430 -1.945 -10.426 1.00 54.13 H new ATOM 0 HB2 HIS B 67 -6.637 -1.041 -11.131 1.00 14.12 H new ATOM 0 HB3 HIS B 67 -7.097 -2.132 -9.839 1.00 14.12 H new ATOM 0 HD2 HIS B 67 -6.384 -2.198 -13.627 1.00 1.53 H new ATOM 0 HE1 HIS B 67 -7.433 -6.130 -12.499 1.00 54.31 H new ATOM 0 HE2 HIS B 67 -6.495 -4.681 -14.351 1.00 62.50 H new ATOM 2567 N GLU B 68 -9.880 0.319 -9.298 1.00 21.32 N ATOM 2568 CA GLU B 68 -10.136 1.567 -8.571 1.00 5.14 C ATOM 2569 C GLU B 68 -8.964 2.039 -7.693 1.00 65.51 C ATOM 2570 O GLU B 68 -8.420 3.096 -7.965 1.00 60.20 O ATOM 2571 CB GLU B 68 -11.448 1.479 -7.815 1.00 5.34 C ATOM 2572 CG GLU B 68 -12.613 1.136 -8.729 1.00 53.34 C ATOM 2573 CD GLU B 68 -13.918 1.017 -8.007 1.00 42.25 C ATOM 2574 OE1 GLU B 68 -14.737 1.946 -8.096 1.00 42.45 O ATOM 2575 OE2 GLU B 68 -14.152 -0.017 -7.343 1.00 12.32 O ATOM 0 H GLU B 68 -10.659 -0.339 -9.260 1.00 21.32 H new ATOM 0 HA GLU B 68 -10.229 2.353 -9.320 1.00 5.14 H new ATOM 0 HB2 GLU B 68 -11.366 0.723 -7.034 1.00 5.34 H new ATOM 0 HB3 GLU B 68 -11.645 2.430 -7.319 1.00 5.34 H new ATOM 0 HG2 GLU B 68 -12.700 1.903 -9.498 1.00 53.34 H new ATOM 0 HG3 GLU B 68 -12.401 0.196 -9.239 1.00 53.34 H new ATOM 2582 N ARG B 69 -8.586 1.266 -6.661 1.00 61.31 N ATOM 2583 CA ARG B 69 -7.391 1.577 -5.821 1.00 22.32 C ATOM 2584 C ARG B 69 -7.221 0.584 -4.669 1.00 45.42 C ATOM 2585 O ARG B 69 -6.098 0.184 -4.346 1.00 70.13 O ATOM 2586 CB ARG B 69 -7.356 3.051 -5.300 1.00 52.42 C ATOM 2587 CG ARG B 69 -8.524 3.469 -4.435 1.00 44.42 C ATOM 2588 CD ARG B 69 -8.368 4.918 -3.999 1.00 43.21 C ATOM 2589 NE ARG B 69 -9.419 5.365 -3.072 1.00 4.03 N ATOM 2590 CZ ARG B 69 -9.333 6.456 -2.272 1.00 12.10 C ATOM 2591 NH1 ARG B 69 -8.222 7.189 -2.251 1.00 22.35 N ATOM 2592 NH2 ARG B 69 -10.349 6.789 -1.484 1.00 52.11 N ATOM 0 H ARG B 69 -9.082 0.420 -6.380 1.00 61.31 H new ATOM 0 HA ARG B 69 -6.538 1.468 -6.491 1.00 22.32 H new ATOM 0 HB2 ARG B 69 -6.437 3.194 -4.731 1.00 52.42 H new ATOM 0 HB3 ARG B 69 -7.307 3.720 -6.159 1.00 52.42 H new ATOM 0 HG2 ARG B 69 -9.456 3.347 -4.987 1.00 44.42 H new ATOM 0 HG3 ARG B 69 -8.586 2.823 -3.559 1.00 44.42 H new ATOM 0 HD2 ARG B 69 -7.396 5.044 -3.522 1.00 43.21 H new ATOM 0 HD3 ARG B 69 -8.376 5.558 -4.881 1.00 43.21 H new ATOM 0 HE ARG B 69 -10.276 4.813 -3.028 1.00 4.03 H new ATOM 0 HH11 ARG B 69 -7.429 6.931 -2.839 1.00 22.35 H new ATOM 0 HH12 ARG B 69 -8.163 8.009 -1.647 1.00 22.35 H new ATOM 0 HH21 ARG B 69 -11.198 6.223 -1.479 1.00 52.11 H new ATOM 0 HH22 ARG B 69 -10.281 7.611 -0.883 1.00 52.11 H new ATOM 2606 N ASP B 70 -8.335 0.170 -4.078 1.00 33.10 N ATOM 2607 CA ASP B 70 -8.337 -0.775 -2.939 1.00 33.24 C ATOM 2608 C ASP B 70 -7.717 -2.110 -3.373 1.00 23.45 C ATOM 2609 O ASP B 70 -6.850 -2.660 -2.690 1.00 43.31 O ATOM 2610 CB ASP B 70 -9.778 -0.969 -2.442 1.00 40.31 C ATOM 2611 CG ASP B 70 -9.914 -1.825 -1.202 1.00 54.21 C ATOM 2612 OD1 ASP B 70 -9.915 -1.259 -0.078 1.00 72.14 O ATOM 2613 OD2 ASP B 70 -10.089 -3.048 -1.324 1.00 12.24 O ATOM 0 H ASP B 70 -9.266 0.472 -4.364 1.00 33.10 H new ATOM 0 HA ASP B 70 -7.739 -0.373 -2.121 1.00 33.24 H new ATOM 0 HB2 ASP B 70 -10.212 0.010 -2.239 1.00 40.31 H new ATOM 0 HB3 ASP B 70 -10.366 -1.419 -3.242 1.00 40.31 H new ATOM 2618 N GLU B 71 -8.146 -2.584 -4.549 1.00 14.20 N ATOM 2619 CA GLU B 71 -7.603 -3.790 -5.188 1.00 2.34 C ATOM 2620 C GLU B 71 -6.094 -3.716 -5.330 1.00 40.01 C ATOM 2621 O GLU B 71 -5.375 -4.664 -4.995 1.00 2.44 O ATOM 2622 CB GLU B 71 -8.202 -3.948 -6.592 1.00 2.22 C ATOM 2623 CG GLU B 71 -9.618 -4.464 -6.645 1.00 70.14 C ATOM 2624 CD GLU B 71 -9.696 -5.885 -6.165 1.00 44.43 C ATOM 2625 OE1 GLU B 71 -9.221 -6.794 -6.888 1.00 73.52 O ATOM 2626 OE2 GLU B 71 -10.223 -6.133 -5.072 1.00 0.21 O ATOM 0 H GLU B 71 -8.887 -2.137 -5.089 1.00 14.20 H new ATOM 0 HA GLU B 71 -7.862 -4.638 -4.554 1.00 2.34 H new ATOM 0 HB2 GLU B 71 -8.169 -2.980 -7.092 1.00 2.22 H new ATOM 0 HB3 GLU B 71 -7.567 -4.624 -7.164 1.00 2.22 H new ATOM 0 HG2 GLU B 71 -10.261 -3.834 -6.030 1.00 70.14 H new ATOM 0 HG3 GLU B 71 -9.993 -4.401 -7.667 1.00 70.14 H new ATOM 2633 N ILE B 72 -5.627 -2.580 -5.826 1.00 33.41 N ATOM 2634 CA ILE B 72 -4.218 -2.373 -6.095 1.00 12.20 C ATOM 2635 C ILE B 72 -3.419 -2.484 -4.808 1.00 41.22 C ATOM 2636 O ILE B 72 -2.420 -3.195 -4.751 1.00 23.23 O ATOM 2637 CB ILE B 72 -3.966 -0.993 -6.765 1.00 52.12 C ATOM 2638 CG1 ILE B 72 -4.802 -0.864 -8.049 1.00 32.33 C ATOM 2639 CG2 ILE B 72 -2.480 -0.823 -7.086 1.00 70.32 C ATOM 2640 CD1 ILE B 72 -4.643 0.467 -8.763 1.00 61.14 C ATOM 0 H ILE B 72 -6.216 -1.779 -6.052 1.00 33.41 H new ATOM 0 HA ILE B 72 -3.891 -3.147 -6.789 1.00 12.20 H new ATOM 0 HB ILE B 72 -4.267 -0.209 -6.070 1.00 52.12 H new ATOM 0 HG12 ILE B 72 -4.524 -1.666 -8.733 1.00 32.33 H new ATOM 0 HG13 ILE B 72 -5.854 -1.007 -7.801 1.00 32.33 H new ATOM 0 HG21 ILE B 72 -2.318 0.148 -7.555 1.00 70.32 H new ATOM 0 HG22 ILE B 72 -1.900 -0.883 -6.165 1.00 70.32 H new ATOM 0 HG23 ILE B 72 -2.162 -1.613 -7.767 1.00 70.32 H new ATOM 0 HD11 ILE B 72 -5.265 0.477 -9.658 1.00 61.14 H new ATOM 0 HD12 ILE B 72 -4.950 1.275 -8.099 1.00 61.14 H new ATOM 0 HD13 ILE B 72 -3.599 0.606 -9.045 1.00 61.14 H new ATOM 2652 N MET B 73 -3.892 -1.809 -3.772 1.00 53.41 N ATOM 2653 CA MET B 73 -3.241 -1.834 -2.472 1.00 13.34 C ATOM 2654 C MET B 73 -3.105 -3.223 -1.900 1.00 2.11 C ATOM 2655 O MET B 73 -2.089 -3.529 -1.293 1.00 54.25 O ATOM 2656 CB MET B 73 -3.927 -0.934 -1.477 1.00 41.13 C ATOM 2657 CG MET B 73 -3.805 0.524 -1.789 1.00 25.12 C ATOM 2658 SD MET B 73 -2.094 1.048 -1.887 1.00 61.22 S ATOM 2659 CE MET B 73 -1.508 0.711 -0.222 1.00 24.32 C ATOM 0 H MET B 73 -4.732 -1.232 -3.808 1.00 53.41 H new ATOM 0 HA MET B 73 -2.235 -1.455 -2.652 1.00 13.34 H new ATOM 0 HB2 MET B 73 -4.984 -1.198 -1.432 1.00 41.13 H new ATOM 0 HB3 MET B 73 -3.510 -1.119 -0.487 1.00 41.13 H new ATOM 0 HG2 MET B 73 -4.304 0.735 -2.735 1.00 25.12 H new ATOM 0 HG3 MET B 73 -4.318 1.103 -1.022 1.00 25.12 H new ATOM 0 HE1 MET B 73 -0.441 0.923 -0.162 1.00 24.32 H new ATOM 0 HE2 MET B 73 -2.044 1.342 0.487 1.00 24.32 H new ATOM 0 HE3 MET B 73 -1.684 -0.337 0.020 1.00 24.32 H new ATOM 2669 N GLU B 74 -4.112 -4.069 -2.076 1.00 33.44 N ATOM 2670 CA GLU B 74 -4.003 -5.437 -1.576 1.00 64.44 C ATOM 2671 C GLU B 74 -2.897 -6.196 -2.262 1.00 23.52 C ATOM 2672 O GLU B 74 -2.131 -6.909 -1.603 1.00 0.43 O ATOM 2673 CB GLU B 74 -5.288 -6.226 -1.677 1.00 53.34 C ATOM 2674 CG GLU B 74 -6.415 -5.703 -0.836 1.00 60.10 C ATOM 2675 CD GLU B 74 -7.573 -6.652 -0.836 1.00 63.32 C ATOM 2676 OE1 GLU B 74 -8.526 -6.450 -1.597 1.00 65.14 O ATOM 2677 OE2 GLU B 74 -7.532 -7.632 -0.070 1.00 71.25 O ATOM 0 H GLU B 74 -4.989 -3.844 -2.546 1.00 33.44 H new ATOM 0 HA GLU B 74 -3.769 -5.328 -0.517 1.00 64.44 H new ATOM 0 HB2 GLU B 74 -5.608 -6.241 -2.719 1.00 53.34 H new ATOM 0 HB3 GLU B 74 -5.088 -7.258 -1.390 1.00 53.34 H new ATOM 0 HG2 GLU B 74 -6.069 -5.547 0.186 1.00 60.10 H new ATOM 0 HG3 GLU B 74 -6.736 -4.733 -1.215 1.00 60.10 H new ATOM 2684 N GLU B 75 -2.796 -6.044 -3.578 1.00 62.11 N ATOM 2685 CA GLU B 75 -1.753 -6.727 -4.312 1.00 12.41 C ATOM 2686 C GLU B 75 -0.406 -6.159 -3.898 1.00 23.22 C ATOM 2687 O GLU B 75 0.527 -6.911 -3.603 1.00 52.42 O ATOM 2688 CB GLU B 75 -1.938 -6.607 -5.825 1.00 52.53 C ATOM 2689 CG GLU B 75 -0.970 -7.491 -6.607 1.00 22.12 C ATOM 2690 CD GLU B 75 -1.099 -7.380 -8.106 1.00 71.23 C ATOM 2691 OE1 GLU B 75 -2.043 -7.960 -8.688 1.00 4.50 O ATOM 2692 OE2 GLU B 75 -0.217 -6.761 -8.731 1.00 34.15 O ATOM 0 H GLU B 75 -3.414 -5.463 -4.144 1.00 62.11 H new ATOM 0 HA GLU B 75 -1.804 -7.789 -4.071 1.00 12.41 H new ATOM 0 HB2 GLU B 75 -2.962 -6.877 -6.085 1.00 52.53 H new ATOM 0 HB3 GLU B 75 -1.797 -5.568 -6.123 1.00 52.53 H new ATOM 0 HG2 GLU B 75 0.050 -7.233 -6.322 1.00 22.12 H new ATOM 0 HG3 GLU B 75 -1.129 -8.529 -6.316 1.00 22.12 H new ATOM 2699 N LEU B 76 -0.333 -4.826 -3.830 1.00 31.02 N ATOM 2700 CA LEU B 76 0.879 -4.144 -3.418 1.00 60.22 C ATOM 2701 C LEU B 76 1.312 -4.589 -2.044 1.00 3.13 C ATOM 2702 O LEU B 76 2.448 -4.971 -1.867 1.00 4.14 O ATOM 2703 CB LEU B 76 0.708 -2.620 -3.425 1.00 12.05 C ATOM 2704 CG LEU B 76 0.440 -1.955 -4.774 1.00 62.43 C ATOM 2705 CD1 LEU B 76 0.270 -0.458 -4.598 1.00 51.12 C ATOM 2706 CD2 LEU B 76 1.569 -2.241 -5.747 1.00 35.30 C ATOM 0 H LEU B 76 -1.108 -4.203 -4.058 1.00 31.02 H new ATOM 0 HA LEU B 76 1.648 -4.410 -4.143 1.00 60.22 H new ATOM 0 HB2 LEU B 76 -0.114 -2.369 -2.755 1.00 12.05 H new ATOM 0 HB3 LEU B 76 1.610 -2.177 -3.003 1.00 12.05 H new ATOM 0 HG LEU B 76 -0.482 -2.370 -5.183 1.00 62.43 H new ATOM 0 HD11 LEU B 76 0.080 0.003 -5.567 1.00 51.12 H new ATOM 0 HD12 LEU B 76 -0.571 -0.263 -3.932 1.00 51.12 H new ATOM 0 HD13 LEU B 76 1.179 -0.037 -4.168 1.00 51.12 H new ATOM 0 HD21 LEU B 76 1.358 -1.758 -6.701 1.00 35.30 H new ATOM 0 HD22 LEU B 76 2.504 -1.853 -5.343 1.00 35.30 H new ATOM 0 HD23 LEU B 76 1.657 -3.317 -5.896 1.00 35.30 H new ATOM 2718 N THR B 77 0.393 -4.582 -1.082 1.00 0.11 N ATOM 2719 CA THR B 77 0.731 -4.954 0.272 1.00 61.33 C ATOM 2720 C THR B 77 1.196 -6.427 0.352 1.00 13.14 C ATOM 2721 O THR B 77 2.255 -6.725 0.917 1.00 65.14 O ATOM 2722 CB THR B 77 -0.469 -4.719 1.225 1.00 14.05 C ATOM 2723 OG1 THR B 77 -0.917 -3.360 1.100 1.00 34.30 O ATOM 2724 CG2 THR B 77 -0.072 -4.967 2.672 1.00 12.22 C ATOM 0 H THR B 77 -0.584 -4.323 -1.222 1.00 0.11 H new ATOM 0 HA THR B 77 1.558 -4.319 0.589 1.00 61.33 H new ATOM 0 HB THR B 77 -1.264 -5.413 0.951 1.00 14.05 H new ATOM 0 HG1 THR B 77 -1.369 -3.242 0.238 1.00 34.30 H new ATOM 0 HG21 THR B 77 -0.932 -4.795 3.320 1.00 12.22 H new ATOM 0 HG22 THR B 77 0.267 -5.997 2.785 1.00 12.22 H new ATOM 0 HG23 THR B 77 0.733 -4.287 2.950 1.00 12.22 H new ATOM 2732 N LYS B 78 0.437 -7.328 -0.258 1.00 1.54 N ATOM 2733 CA LYS B 78 0.739 -8.742 -0.152 1.00 24.42 C ATOM 2734 C LYS B 78 1.966 -9.169 -0.908 1.00 24.01 C ATOM 2735 O LYS B 78 2.787 -9.906 -0.380 1.00 61.20 O ATOM 2736 CB LYS B 78 -0.462 -9.625 -0.469 1.00 43.11 C ATOM 2737 CG LYS B 78 -1.576 -9.411 0.513 1.00 51.24 C ATOM 2738 CD LYS B 78 -2.674 -10.454 0.420 1.00 23.52 C ATOM 2739 CE LYS B 78 -3.455 -10.370 -0.862 1.00 11.42 C ATOM 2740 NZ LYS B 78 -4.488 -11.408 -0.899 1.00 23.43 N ATOM 0 H LYS B 78 -0.382 -7.105 -0.824 1.00 1.54 H new ATOM 0 HA LYS B 78 0.981 -8.892 0.900 1.00 24.42 H new ATOM 0 HB2 LYS B 78 -0.817 -9.410 -1.477 1.00 43.11 H new ATOM 0 HB3 LYS B 78 -0.159 -10.672 -0.455 1.00 43.11 H new ATOM 0 HG2 LYS B 78 -1.166 -9.416 1.523 1.00 51.24 H new ATOM 0 HG3 LYS B 78 -2.009 -8.424 0.350 1.00 51.24 H new ATOM 0 HD2 LYS B 78 -2.233 -11.447 0.506 1.00 23.52 H new ATOM 0 HD3 LYS B 78 -3.355 -10.333 1.263 1.00 23.52 H new ATOM 0 HE2 LYS B 78 -3.916 -9.386 -0.951 1.00 11.42 H new ATOM 0 HE3 LYS B 78 -2.783 -10.486 -1.713 1.00 11.42 H new ATOM 0 HZ1 LYS B 78 -5.019 -11.337 -1.790 1.00 23.43 H new ATOM 0 HZ2 LYS B 78 -4.041 -12.345 -0.835 1.00 23.43 H new ATOM 0 HZ3 LYS B 78 -5.138 -11.280 -0.097 1.00 23.43 H new ATOM 2754 N TYR B 79 2.117 -8.702 -2.118 1.00 75.21 N ATOM 2755 CA TYR B 79 3.259 -9.102 -2.919 1.00 21.32 C ATOM 2756 C TYR B 79 4.550 -8.526 -2.327 1.00 5.51 C ATOM 2757 O TYR B 79 5.589 -9.214 -2.277 1.00 13.25 O ATOM 2758 CB TYR B 79 3.086 -8.681 -4.382 1.00 72.20 C ATOM 2759 CG TYR B 79 4.185 -9.176 -5.298 1.00 41.12 C ATOM 2760 CD1 TYR B 79 4.026 -10.337 -6.038 1.00 74.42 C ATOM 2761 CD2 TYR B 79 5.371 -8.480 -5.422 1.00 62.25 C ATOM 2762 CE1 TYR B 79 5.027 -10.791 -6.878 1.00 54.31 C ATOM 2763 CE2 TYR B 79 6.373 -8.921 -6.252 1.00 70.31 C ATOM 2764 CZ TYR B 79 6.200 -10.075 -6.980 1.00 32.14 C ATOM 2765 OH TYR B 79 7.217 -10.523 -7.810 1.00 23.11 O ATOM 0 H TYR B 79 1.476 -8.052 -2.573 1.00 75.21 H new ATOM 0 HA TYR B 79 3.327 -10.190 -2.900 1.00 21.32 H new ATOM 0 HB2 TYR B 79 2.128 -9.053 -4.746 1.00 72.20 H new ATOM 0 HB3 TYR B 79 3.046 -7.593 -4.434 1.00 72.20 H new ATOM 0 HD1 TYR B 79 3.106 -10.896 -5.958 1.00 74.42 H new ATOM 0 HD2 TYR B 79 5.514 -7.572 -4.856 1.00 62.25 H new ATOM 0 HE1 TYR B 79 4.890 -11.698 -7.448 1.00 54.31 H new ATOM 0 HE2 TYR B 79 7.294 -8.363 -6.333 1.00 70.31 H new ATOM 0 HH TYR B 79 6.831 -11.016 -8.564 1.00 23.11 H new ATOM 2775 N TYR B 80 4.470 -7.279 -1.868 1.00 1.44 N ATOM 2776 CA TYR B 80 5.590 -6.591 -1.239 1.00 4.00 C ATOM 2777 C TYR B 80 6.055 -7.323 0.020 1.00 50.11 C ATOM 2778 O TYR B 80 7.250 -7.501 0.245 1.00 74.41 O ATOM 2779 CB TYR B 80 5.197 -5.132 -0.907 1.00 44.12 C ATOM 2780 CG TYR B 80 6.173 -4.397 -0.029 1.00 33.31 C ATOM 2781 CD1 TYR B 80 7.218 -3.659 -0.559 1.00 54.33 C ATOM 2782 CD2 TYR B 80 6.051 -4.467 1.346 1.00 52.52 C ATOM 2783 CE1 TYR B 80 8.111 -3.021 0.273 1.00 30.43 C ATOM 2784 CE2 TYR B 80 6.922 -3.834 2.168 1.00 64.43 C ATOM 2785 CZ TYR B 80 7.946 -3.116 1.638 1.00 3.13 C ATOM 2786 OH TYR B 80 8.823 -2.531 2.469 1.00 33.34 O ATOM 0 H TYR B 80 3.621 -6.716 -1.923 1.00 1.44 H new ATOM 0 HA TYR B 80 6.423 -6.582 -1.942 1.00 4.00 H new ATOM 0 HB2 TYR B 80 5.083 -4.580 -1.840 1.00 44.12 H new ATOM 0 HB3 TYR B 80 4.223 -5.136 -0.418 1.00 44.12 H new ATOM 0 HD1 TYR B 80 7.333 -3.583 -1.630 1.00 54.33 H new ATOM 0 HD2 TYR B 80 5.242 -5.040 1.775 1.00 52.52 H new ATOM 0 HE1 TYR B 80 8.931 -2.453 -0.140 1.00 30.43 H new ATOM 0 HE2 TYR B 80 6.803 -3.900 3.239 1.00 64.43 H new ATOM 0 HH TYR B 80 8.619 -1.575 2.540 1.00 33.34 H new ATOM 2796 N LEU B 81 5.120 -7.721 0.839 1.00 34.21 N ATOM 2797 CA LEU B 81 5.452 -8.421 2.055 1.00 12.24 C ATOM 2798 C LEU B 81 5.918 -9.842 1.779 1.00 11.31 C ATOM 2799 O LEU B 81 6.815 -10.343 2.465 1.00 41.25 O ATOM 2800 CB LEU B 81 4.290 -8.393 3.047 1.00 3.21 C ATOM 2801 CG LEU B 81 3.907 -7.010 3.596 1.00 1.43 C ATOM 2802 CD1 LEU B 81 2.694 -7.113 4.496 1.00 44.42 C ATOM 2803 CD2 LEU B 81 5.072 -6.390 4.358 1.00 43.51 C ATOM 0 H LEU B 81 4.122 -7.574 0.689 1.00 34.21 H new ATOM 0 HA LEU B 81 6.289 -7.895 2.514 1.00 12.24 H new ATOM 0 HB2 LEU B 81 3.414 -8.825 2.563 1.00 3.21 H new ATOM 0 HB3 LEU B 81 4.541 -9.039 3.888 1.00 3.21 H new ATOM 0 HG LEU B 81 3.663 -6.366 2.751 1.00 1.43 H new ATOM 0 HD11 LEU B 81 2.437 -6.124 4.875 1.00 44.42 H new ATOM 0 HD12 LEU B 81 1.853 -7.513 3.929 1.00 44.42 H new ATOM 0 HD13 LEU B 81 2.917 -7.776 5.332 1.00 44.42 H new ATOM 0 HD21 LEU B 81 4.779 -5.411 4.738 1.00 43.51 H new ATOM 0 HD22 LEU B 81 5.346 -7.036 5.192 1.00 43.51 H new ATOM 0 HD23 LEU B 81 5.926 -6.279 3.690 1.00 43.51 H new ATOM 2815 N ALA B 82 5.362 -10.464 0.736 1.00 4.11 N ATOM 2816 CA ALA B 82 5.656 -11.859 0.416 1.00 22.43 C ATOM 2817 C ALA B 82 7.139 -12.084 0.162 1.00 52.42 C ATOM 2818 O ALA B 82 7.733 -13.028 0.693 1.00 24.51 O ATOM 2819 CB ALA B 82 4.837 -12.314 -0.776 1.00 60.21 C ATOM 0 H ALA B 82 4.703 -10.019 0.097 1.00 4.11 H new ATOM 0 HA ALA B 82 5.380 -12.458 1.284 1.00 22.43 H new ATOM 0 HB1 ALA B 82 5.069 -13.355 -1.000 1.00 60.21 H new ATOM 0 HB2 ALA B 82 3.776 -12.220 -0.546 1.00 60.21 H new ATOM 0 HB3 ALA B 82 5.077 -11.695 -1.640 1.00 60.21 H new ATOM 2825 N ASN B 83 7.754 -11.182 -0.591 1.00 2.23 N ATOM 2826 CA ASN B 83 9.174 -11.328 -0.951 1.00 55.03 C ATOM 2827 C ASN B 83 10.109 -11.097 0.238 1.00 70.05 C ATOM 2828 O ASN B 83 11.324 -11.226 0.104 1.00 4.23 O ATOM 2829 CB ASN B 83 9.597 -10.409 -2.108 1.00 40.21 C ATOM 2830 CG ASN B 83 9.442 -8.950 -1.789 1.00 64.52 C ATOM 2831 OD1 ASN B 83 10.315 -8.346 -1.178 1.00 13.10 O ATOM 2832 ND2 ASN B 83 8.370 -8.362 -2.238 1.00 63.41 N ATOM 0 H ASN B 83 7.305 -10.346 -0.965 1.00 2.23 H new ATOM 0 HA ASN B 83 9.270 -12.363 -1.279 1.00 55.03 H new ATOM 0 HB2 ASN B 83 10.638 -10.611 -2.362 1.00 40.21 H new ATOM 0 HB3 ASN B 83 9.002 -10.647 -2.989 1.00 40.21 H new ATOM 0 HD21 ASN B 83 8.234 -7.363 -2.085 1.00 63.41 H new ATOM 0 HD22 ASN B 83 7.666 -8.901 -2.742 1.00 63.41 H new ATOM 2839 N HIS B 84 9.561 -10.743 1.395 1.00 50.43 N ATOM 2840 CA HIS B 84 10.391 -10.569 2.585 1.00 32.21 C ATOM 2841 C HIS B 84 10.452 -11.868 3.378 1.00 75.14 C ATOM 2842 O HIS B 84 11.003 -11.913 4.480 1.00 51.32 O ATOM 2843 CB HIS B 84 9.905 -9.426 3.508 1.00 71.51 C ATOM 2844 CG HIS B 84 9.967 -8.034 2.928 1.00 43.43 C ATOM 2845 ND1 HIS B 84 11.061 -7.532 2.252 1.00 70.21 N ATOM 2846 CD2 HIS B 84 9.054 -7.034 2.948 1.00 22.35 C ATOM 2847 CE1 HIS B 84 10.820 -6.291 1.882 1.00 52.41 C ATOM 2848 NE2 HIS B 84 9.609 -5.959 2.289 1.00 21.25 N ATOM 0 H HIS B 84 8.565 -10.573 1.536 1.00 50.43 H new ATOM 0 HA HIS B 84 11.384 -10.294 2.228 1.00 32.21 H new ATOM 0 HB2 HIS B 84 8.874 -9.632 3.796 1.00 71.51 H new ATOM 0 HB3 HIS B 84 10.501 -9.445 4.420 1.00 71.51 H new ATOM 0 HD2 HIS B 84 8.073 -7.072 3.397 1.00 22.35 H new ATOM 0 HE1 HIS B 84 11.499 -5.652 1.337 1.00 52.41 H new ATOM 0 HE2 HIS B 84 9.159 -5.056 2.140 1.00 21.25 H new ATOM 2857 N GLY B 85 9.897 -12.925 2.810 1.00 23.21 N ATOM 2858 CA GLY B 85 9.868 -14.203 3.489 1.00 61.44 C ATOM 2859 C GLY B 85 8.634 -14.322 4.330 1.00 12.24 C ATOM 2860 O GLY B 85 8.587 -15.076 5.297 1.00 41.43 O ATOM 0 H GLY B 85 9.464 -12.921 1.887 1.00 23.21 H new ATOM 0 HA2 GLY B 85 9.896 -15.011 2.758 1.00 61.44 H new ATOM 0 HA3 GLY B 85 10.754 -14.309 4.115 1.00 61.44 H new ATOM 2864 N ILE B 86 7.645 -13.550 3.976 1.00 1.14 N ATOM 2865 CA ILE B 86 6.406 -13.539 4.683 1.00 40.13 C ATOM 2866 C ILE B 86 5.366 -14.349 3.942 1.00 23.12 C ATOM 2867 O ILE B 86 5.094 -14.108 2.764 1.00 13.23 O ATOM 2868 CB ILE B 86 5.894 -12.101 4.910 1.00 24.22 C ATOM 2869 CG1 ILE B 86 6.895 -11.313 5.762 1.00 72.21 C ATOM 2870 CG2 ILE B 86 4.519 -12.105 5.562 1.00 31.45 C ATOM 2871 CD1 ILE B 86 6.468 -9.897 6.047 1.00 21.15 C ATOM 0 H ILE B 86 7.681 -12.909 3.184 1.00 1.14 H new ATOM 0 HA ILE B 86 6.582 -13.991 5.659 1.00 40.13 H new ATOM 0 HB ILE B 86 5.800 -11.614 3.939 1.00 24.22 H new ATOM 0 HG12 ILE B 86 7.044 -11.835 6.707 1.00 72.21 H new ATOM 0 HG13 ILE B 86 7.858 -11.297 5.252 1.00 72.21 H new ATOM 0 HG21 ILE B 86 4.183 -11.079 5.710 1.00 31.45 H new ATOM 0 HG22 ILE B 86 3.812 -12.629 4.918 1.00 31.45 H new ATOM 0 HG23 ILE B 86 4.575 -12.611 6.526 1.00 31.45 H new ATOM 0 HD11 ILE B 86 7.227 -9.403 6.654 1.00 21.15 H new ATOM 0 HD12 ILE B 86 6.348 -9.357 5.108 1.00 21.15 H new ATOM 0 HD13 ILE B 86 5.520 -9.904 6.585 1.00 21.15 H new ATOM 2883 N ASP B 87 4.805 -15.297 4.630 1.00 1.54 N ATOM 2884 CA ASP B 87 3.754 -16.134 4.089 1.00 71.30 C ATOM 2885 C ASP B 87 2.433 -15.564 4.553 1.00 74.24 C ATOM 2886 O ASP B 87 2.195 -15.458 5.754 1.00 54.12 O ATOM 2887 CB ASP B 87 3.922 -17.579 4.576 1.00 40.21 C ATOM 2888 CG ASP B 87 2.852 -18.510 4.057 1.00 21.10 C ATOM 2889 OD1 ASP B 87 2.981 -19.012 2.926 1.00 74.35 O ATOM 2890 OD2 ASP B 87 1.871 -18.778 4.782 1.00 34.51 O ATOM 0 H ASP B 87 5.060 -15.521 5.592 1.00 1.54 H new ATOM 0 HA ASP B 87 3.796 -16.148 3.000 1.00 71.30 H new ATOM 0 HB2 ASP B 87 4.899 -17.949 4.265 1.00 40.21 H new ATOM 0 HB3 ASP B 87 3.909 -17.592 5.666 1.00 40.21 H new ATOM 2895 N ILE B 88 1.596 -15.180 3.622 1.00 74.40 N ATOM 2896 CA ILE B 88 0.349 -14.491 3.947 1.00 15.22 C ATOM 2897 C ILE B 88 -0.868 -15.377 3.667 1.00 13.32 C ATOM 2898 O ILE B 88 -0.855 -16.191 2.735 1.00 62.21 O ATOM 2899 CB ILE B 88 0.241 -13.168 3.118 1.00 11.02 C ATOM 2900 CG1 ILE B 88 1.470 -12.287 3.379 1.00 4.25 C ATOM 2901 CG2 ILE B 88 -1.049 -12.399 3.433 1.00 62.54 C ATOM 2902 CD1 ILE B 88 1.507 -11.015 2.572 1.00 2.23 C ATOM 0 H ILE B 88 1.747 -15.329 2.624 1.00 74.40 H new ATOM 0 HA ILE B 88 0.361 -14.258 5.012 1.00 15.22 H new ATOM 0 HB ILE B 88 0.207 -13.436 2.062 1.00 11.02 H new ATOM 0 HG12 ILE B 88 1.501 -12.032 4.438 1.00 4.25 H new ATOM 0 HG13 ILE B 88 2.369 -12.865 3.164 1.00 4.25 H new ATOM 0 HG21 ILE B 88 -1.084 -11.487 2.836 1.00 62.54 H new ATOM 0 HG22 ILE B 88 -1.911 -13.022 3.195 1.00 62.54 H new ATOM 0 HG23 ILE B 88 -1.069 -12.141 4.492 1.00 62.54 H new ATOM 0 HD11 ILE B 88 2.408 -10.454 2.819 1.00 2.23 H new ATOM 0 HD12 ILE B 88 1.511 -11.258 1.509 1.00 2.23 H new ATOM 0 HD13 ILE B 88 0.629 -10.412 2.803 1.00 2.23 H new