USER MOD reduce.3.24.130724 H: found=0, std=0, add=1134, rem=0, adj=33 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: B 48 SER OG : rot -130:sc= 0 USER MOD Set 1.2: B 53 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 170:sc= 1.28 USER MOD Set 2.2: A 67 HIS : no HE2:sc= 1.88 K(o=3.2,f=-9.4!) USER MOD Set 3.1: A 21 SER OG : rot 180:sc= -0.916 USER MOD Set 3.2: B 84 HIS : +bothHN:sc= -1.07 K(o=-2,f=-6.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 130:sc= -0.808 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN :FLIP amide:sc=-0.00539 F(o=-1.4,f=-0.0054) USER MOD Single : A 41 GLN : amide:sc= -3.24! C(o=-3.2!,f=-9.4!) USER MOD Single : A 45 TYR OH : rot 37:sc= 1.06 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 :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 73 MET CE :methyl 155:sc= -1.7 (180deg=-2.19) USER MOD Single : A 77 THR OG1 : rot 81:sc= 0.489 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 TYR OH : rot 80:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 1.48 K(o=1.5,f=-0.035) USER MOD Single : A 84 HIS : +bothHN:sc= 0.675 K(o=0.68,f=-7!) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 23 THR OG1 : rot 67:sc= 1.21 USER MOD Single : B 26 THR OG1 : rot 79:sc= 0.457 USER MOD Single : B 28 TYR OH : rot 130:sc= 0 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 : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 40 ASN :FLIP amide:sc= -1.06 F(o=-1.6!,f=-1.1) USER MOD Single : B 41 GLN : amide:sc= -2.17! C(o=-2.2!,f=-8!) USER MOD Single : B 45 TYR OH : rot 46:sc= 1.22 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 58 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.6) USER MOD Single : B 62 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.3!) USER MOD Single : B 67 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.1!) USER MOD Single : B 73 MET CE :methyl -123:sc= -1.14 (180deg=-1.93!) USER MOD Single : B 77 THR OG1 : rot 81:sc= 0.424 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 TYR OH : rot 165:sc= 0 USER MOD Single : B 83 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 300 N ALA A 19 13.913 0.281 5.401 1.00 20.03 N ATOM 301 CA ALA A 19 13.470 0.671 6.744 1.00 64.01 C ATOM 302 C ALA A 19 11.963 0.683 6.847 1.00 70.03 C ATOM 303 O ALA A 19 11.386 0.352 7.888 1.00 43.21 O ATOM 304 CB ALA A 19 13.999 2.037 7.071 1.00 22.50 C ATOM 0 HA ALA A 19 13.856 -0.062 7.452 1.00 64.01 H new ATOM 0 HB1 ALA A 19 13.669 2.326 8.069 1.00 22.50 H new ATOM 0 HB2 ALA A 19 15.088 2.023 7.039 1.00 22.50 H new ATOM 0 HB3 ALA A 19 13.624 2.756 6.343 1.00 22.50 H new ATOM 310 N ILE A 20 11.326 1.065 5.759 1.00 12.30 N ATOM 311 CA ILE A 20 9.879 1.071 5.670 1.00 34.42 C ATOM 312 C ILE A 20 9.348 -0.356 5.839 1.00 71.51 C ATOM 313 O ILE A 20 8.297 -0.586 6.442 1.00 12.23 O ATOM 314 CB ILE A 20 9.417 1.653 4.308 1.00 13.15 C ATOM 315 CG1 ILE A 20 9.894 3.108 4.174 1.00 51.24 C ATOM 316 CG2 ILE A 20 7.903 1.556 4.147 1.00 42.32 C ATOM 317 CD1 ILE A 20 9.533 3.761 2.861 1.00 25.11 C ATOM 0 H ILE A 20 11.797 1.380 4.911 1.00 12.30 H new ATOM 0 HA ILE A 20 9.481 1.702 6.465 1.00 34.42 H new ATOM 0 HB ILE A 20 9.865 1.061 3.510 1.00 13.15 H new ATOM 0 HG12 ILE A 20 9.467 3.694 4.988 1.00 51.24 H new ATOM 0 HG13 ILE A 20 10.977 3.136 4.295 1.00 51.24 H new ATOM 0 HG21 ILE A 20 7.612 1.972 3.183 1.00 42.32 H new ATOM 0 HG22 ILE A 20 7.598 0.511 4.198 1.00 42.32 H new ATOM 0 HG23 ILE A 20 7.416 2.116 4.945 1.00 42.32 H new ATOM 0 HD11 ILE A 20 9.906 4.785 2.849 1.00 25.11 H new ATOM 0 HD12 ILE A 20 9.982 3.201 2.041 1.00 25.11 H new ATOM 0 HD13 ILE A 20 8.449 3.769 2.744 1.00 25.11 H new ATOM 329 N SER A 21 10.122 -1.301 5.371 1.00 61.22 N ATOM 330 CA SER A 21 9.740 -2.692 5.411 1.00 3.32 C ATOM 331 C SER A 21 9.870 -3.206 6.851 1.00 1.22 C ATOM 332 O SER A 21 9.108 -4.072 7.285 1.00 12.14 O ATOM 333 CB SER A 21 10.605 -3.506 4.427 1.00 32.22 C ATOM 334 OG SER A 21 10.151 -4.838 4.294 1.00 54.52 O ATOM 0 H SER A 21 11.036 -1.129 4.951 1.00 61.22 H new ATOM 0 HA SER A 21 8.702 -2.807 5.100 1.00 3.32 H new ATOM 0 HB2 SER A 21 10.596 -3.021 3.451 1.00 32.22 H new ATOM 0 HB3 SER A 21 11.639 -3.509 4.771 1.00 32.22 H new ATOM 0 HG SER A 21 10.725 -5.318 3.661 1.00 54.52 H new ATOM 340 N GLU A 22 10.828 -2.630 7.600 1.00 23.11 N ATOM 341 CA GLU A 22 11.006 -2.954 9.017 1.00 44.13 C ATOM 342 C GLU A 22 9.752 -2.556 9.776 1.00 34.22 C ATOM 343 O GLU A 22 9.253 -3.298 10.626 1.00 31.14 O ATOM 344 CB GLU A 22 12.183 -2.184 9.621 1.00 62.04 C ATOM 345 CG GLU A 22 13.537 -2.424 8.984 1.00 45.33 C ATOM 346 CD GLU A 22 14.622 -1.648 9.701 1.00 3.34 C ATOM 347 OE1 GLU A 22 15.266 -2.215 10.610 1.00 13.45 O ATOM 348 OE2 GLU A 22 14.823 -0.458 9.395 1.00 71.31 O ATOM 0 H GLU A 22 11.488 -1.939 7.243 1.00 23.11 H new ATOM 0 HA GLU A 22 11.199 -4.024 9.097 1.00 44.13 H new ATOM 0 HB2 GLU A 22 11.961 -1.118 9.563 1.00 62.04 H new ATOM 0 HB3 GLU A 22 12.252 -2.438 10.679 1.00 62.04 H new ATOM 0 HG2 GLU A 22 13.770 -3.488 9.008 1.00 45.33 H new ATOM 0 HG3 GLU A 22 13.507 -2.128 7.935 1.00 45.33 H new ATOM 355 N THR A 23 9.250 -1.370 9.450 1.00 65.45 N ATOM 356 CA THR A 23 8.063 -0.832 10.062 1.00 24.51 C ATOM 357 C THR A 23 6.852 -1.752 9.796 1.00 75.13 C ATOM 358 O THR A 23 6.182 -2.203 10.732 1.00 31.42 O ATOM 359 CB THR A 23 7.770 0.581 9.494 1.00 45.22 C ATOM 360 OG1 THR A 23 8.908 1.452 9.699 1.00 32.14 O ATOM 361 CG2 THR A 23 6.547 1.194 10.155 1.00 70.12 C ATOM 0 H THR A 23 9.666 -0.759 8.747 1.00 65.45 H new ATOM 0 HA THR A 23 8.229 -0.767 11.137 1.00 24.51 H new ATOM 0 HB THR A 23 7.577 0.475 8.426 1.00 45.22 H new ATOM 0 HG1 THR A 23 8.774 2.287 9.203 1.00 32.14 H new ATOM 0 HG21 THR A 23 6.366 2.184 9.737 1.00 70.12 H new ATOM 0 HG22 THR A 23 5.679 0.559 9.974 1.00 70.12 H new ATOM 0 HG23 THR A 23 6.718 1.279 11.228 1.00 70.12 H new ATOM 369 N LEU A 24 6.619 -2.065 8.525 1.00 0.34 N ATOM 370 CA LEU A 24 5.480 -2.895 8.134 1.00 10.03 C ATOM 371 C LEU A 24 5.584 -4.326 8.624 1.00 24.42 C ATOM 372 O LEU A 24 4.564 -4.968 8.860 1.00 51.25 O ATOM 373 CB LEU A 24 5.162 -2.828 6.624 1.00 74.11 C ATOM 374 CG LEU A 24 4.422 -1.565 6.105 1.00 73.41 C ATOM 375 CD1 LEU A 24 5.198 -0.285 6.356 1.00 13.02 C ATOM 376 CD2 LEU A 24 4.095 -1.712 4.626 1.00 53.32 C ATOM 0 H LEU A 24 7.203 -1.757 7.747 1.00 0.34 H new ATOM 0 HA LEU A 24 4.627 -2.452 8.649 1.00 10.03 H new ATOM 0 HB2 LEU A 24 6.101 -2.916 6.078 1.00 74.11 H new ATOM 0 HB3 LEU A 24 4.561 -3.700 6.367 1.00 74.11 H new ATOM 0 HG LEU A 24 3.494 -1.485 6.672 1.00 73.41 H new ATOM 0 HD11 LEU A 24 4.633 0.564 5.972 1.00 13.02 H new ATOM 0 HD12 LEU A 24 5.358 -0.161 7.427 1.00 13.02 H new ATOM 0 HD13 LEU A 24 6.161 -0.338 5.849 1.00 13.02 H new ATOM 0 HD21 LEU A 24 3.577 -0.819 4.277 1.00 53.32 H new ATOM 0 HD22 LEU A 24 5.018 -1.840 4.060 1.00 53.32 H new ATOM 0 HD23 LEU A 24 3.456 -2.583 4.479 1.00 53.32 H new ATOM 388 N GLU A 25 6.810 -4.823 8.779 1.00 0.23 N ATOM 389 CA GLU A 25 7.042 -6.171 9.290 1.00 74.32 C ATOM 390 C GLU A 25 6.351 -6.332 10.646 1.00 63.41 C ATOM 391 O GLU A 25 5.581 -7.269 10.863 1.00 12.23 O ATOM 392 CB GLU A 25 8.541 -6.394 9.492 1.00 11.43 C ATOM 393 CG GLU A 25 8.903 -7.796 9.946 1.00 52.52 C ATOM 394 CD GLU A 25 10.349 -7.917 10.343 1.00 23.21 C ATOM 395 OE1 GLU A 25 11.231 -7.703 9.493 1.00 33.42 O ATOM 396 OE2 GLU A 25 10.627 -8.238 11.514 1.00 22.30 O ATOM 0 H GLU A 25 7.662 -4.308 8.556 1.00 0.23 H new ATOM 0 HA GLU A 25 6.646 -6.891 8.574 1.00 74.32 H new ATOM 0 HB2 GLU A 25 9.058 -6.182 8.556 1.00 11.43 H new ATOM 0 HB3 GLU A 25 8.908 -5.679 10.228 1.00 11.43 H new ATOM 0 HG2 GLU A 25 8.273 -8.075 10.791 1.00 52.52 H new ATOM 0 HG3 GLU A 25 8.690 -8.501 9.143 1.00 52.52 H new ATOM 403 N THR A 26 6.587 -5.373 11.529 1.00 22.11 N ATOM 404 CA THR A 26 6.029 -5.410 12.854 1.00 42.12 C ATOM 405 C THR A 26 4.522 -5.126 12.809 1.00 54.45 C ATOM 406 O THR A 26 3.747 -5.724 13.554 1.00 4.42 O ATOM 407 CB THR A 26 6.715 -4.377 13.761 1.00 3.05 C ATOM 408 OG1 THR A 26 8.141 -4.549 13.678 1.00 21.52 O ATOM 409 CG2 THR A 26 6.287 -4.582 15.205 1.00 20.14 C ATOM 0 H THR A 26 7.168 -4.556 11.340 1.00 22.11 H new ATOM 0 HA THR A 26 6.196 -6.407 13.261 1.00 42.12 H new ATOM 0 HB THR A 26 6.431 -3.376 13.435 1.00 3.05 H new ATOM 0 HG1 THR A 26 8.584 -3.891 14.254 1.00 21.52 H new ATOM 0 HG21 THR A 26 6.779 -3.844 15.839 1.00 20.14 H new ATOM 0 HG22 THR A 26 5.206 -4.465 15.284 1.00 20.14 H new ATOM 0 HG23 THR A 26 6.568 -5.584 15.529 1.00 20.14 H new ATOM 417 N VAL A 27 4.117 -4.218 11.918 1.00 13.41 N ATOM 418 CA VAL A 27 2.705 -3.869 11.764 1.00 71.14 C ATOM 419 C VAL A 27 1.900 -5.093 11.340 1.00 3.24 C ATOM 420 O VAL A 27 0.804 -5.330 11.843 1.00 20.22 O ATOM 421 CB VAL A 27 2.490 -2.706 10.746 1.00 25.32 C ATOM 422 CG1 VAL A 27 1.014 -2.391 10.591 1.00 11.10 C ATOM 423 CG2 VAL A 27 3.230 -1.455 11.188 1.00 35.23 C ATOM 0 H VAL A 27 4.746 -3.713 11.294 1.00 13.41 H new ATOM 0 HA VAL A 27 2.352 -3.521 12.735 1.00 71.14 H new ATOM 0 HB VAL A 27 2.888 -3.033 9.785 1.00 25.32 H new ATOM 0 HG11 VAL A 27 0.889 -1.577 9.877 1.00 11.10 H new ATOM 0 HG12 VAL A 27 0.489 -3.275 10.229 1.00 11.10 H new ATOM 0 HG13 VAL A 27 0.602 -2.094 11.555 1.00 11.10 H new ATOM 0 HG21 VAL A 27 3.065 -0.659 10.462 1.00 35.23 H new ATOM 0 HG22 VAL A 27 2.860 -1.139 12.164 1.00 35.23 H new ATOM 0 HG23 VAL A 27 4.297 -1.668 11.256 1.00 35.23 H new ATOM 433 N TYR A 28 2.477 -5.890 10.457 1.00 44.33 N ATOM 434 CA TYR A 28 1.824 -7.090 9.975 1.00 75.53 C ATOM 435 C TYR A 28 1.614 -8.055 11.131 1.00 0.02 C ATOM 436 O TYR A 28 0.509 -8.564 11.357 1.00 52.42 O ATOM 437 CB TYR A 28 2.653 -7.764 8.859 1.00 34.45 C ATOM 438 CG TYR A 28 1.976 -8.984 8.266 1.00 63.04 C ATOM 439 CD1 TYR A 28 2.201 -10.260 8.780 1.00 70.33 C ATOM 440 CD2 TYR A 28 1.094 -8.855 7.210 1.00 5.21 C ATOM 441 CE1 TYR A 28 1.555 -11.362 8.255 1.00 42.41 C ATOM 442 CE2 TYR A 28 0.452 -9.949 6.679 1.00 73.25 C ATOM 443 CZ TYR A 28 0.682 -11.199 7.204 1.00 50.15 C ATOM 444 OH TYR A 28 0.026 -12.285 6.681 1.00 51.53 O ATOM 0 H TYR A 28 3.401 -5.724 10.059 1.00 44.33 H new ATOM 0 HA TYR A 28 0.858 -6.814 9.553 1.00 75.53 H new ATOM 0 HB2 TYR A 28 2.840 -7.039 8.067 1.00 34.45 H new ATOM 0 HB3 TYR A 28 3.623 -8.055 9.261 1.00 34.45 H new ATOM 0 HD1 TYR A 28 2.891 -10.389 9.601 1.00 70.33 H new ATOM 0 HD2 TYR A 28 0.905 -7.876 6.794 1.00 5.21 H new ATOM 0 HE1 TYR A 28 1.734 -12.344 8.666 1.00 42.41 H new ATOM 0 HE2 TYR A 28 -0.231 -9.827 5.852 1.00 73.25 H new ATOM 0 HH TYR A 28 -0.933 -12.090 6.621 1.00 51.53 H new ATOM 454 N ARG A 29 2.675 -8.257 11.871 1.00 52.01 N ATOM 455 CA ARG A 29 2.696 -9.148 13.013 1.00 20.03 C ATOM 456 C ARG A 29 1.741 -8.684 14.122 1.00 24.12 C ATOM 457 O ARG A 29 1.224 -9.479 14.872 1.00 12.41 O ATOM 458 CB ARG A 29 4.129 -9.298 13.511 1.00 62.20 C ATOM 459 CG ARG A 29 5.048 -9.948 12.478 1.00 4.03 C ATOM 460 CD ARG A 29 4.752 -11.430 12.315 1.00 3.45 C ATOM 461 NE ARG A 29 5.259 -12.202 13.458 1.00 34.24 N ATOM 462 CZ ARG A 29 4.538 -12.991 14.263 1.00 50.20 C ATOM 463 NH1 ARG A 29 3.216 -13.020 14.187 1.00 32.31 N ATOM 464 NH2 ARG A 29 5.157 -13.721 15.179 1.00 2.12 N ATOM 0 H ARG A 29 3.569 -7.799 11.696 1.00 52.01 H new ATOM 0 HA ARG A 29 2.333 -10.127 12.701 1.00 20.03 H new ATOM 0 HB2 ARG A 29 4.522 -8.316 13.774 1.00 62.20 H new ATOM 0 HB3 ARG A 29 4.132 -9.897 14.422 1.00 62.20 H new ATOM 0 HG2 ARG A 29 4.929 -9.446 11.518 1.00 4.03 H new ATOM 0 HG3 ARG A 29 6.087 -9.816 12.781 1.00 4.03 H new ATOM 0 HD2 ARG A 29 3.677 -11.580 12.220 1.00 3.45 H new ATOM 0 HD3 ARG A 29 5.208 -11.796 11.395 1.00 3.45 H new ATOM 0 HE ARG A 29 6.257 -12.129 13.657 1.00 34.24 H new ATOM 0 HH11 ARG A 29 2.731 -12.435 13.507 1.00 32.31 H new ATOM 0 HH12 ARG A 29 2.683 -13.628 14.809 1.00 32.31 H new ATOM 0 HH21 ARG A 29 6.172 -13.678 15.265 1.00 2.12 H new ATOM 0 HH22 ARG A 29 4.618 -14.326 15.798 1.00 2.12 H new ATOM 478 N ALA A 30 1.526 -7.390 14.219 1.00 14.12 N ATOM 479 CA ALA A 30 0.623 -6.849 15.217 1.00 3.15 C ATOM 480 C ALA A 30 -0.815 -7.334 15.009 1.00 53.31 C ATOM 481 O ALA A 30 -1.488 -7.740 15.965 1.00 32.11 O ATOM 482 CB ALA A 30 0.684 -5.329 15.236 1.00 42.21 C ATOM 0 H ALA A 30 1.964 -6.691 13.619 1.00 14.12 H new ATOM 0 HA ALA A 30 0.953 -7.219 16.188 1.00 3.15 H new ATOM 0 HB1 ALA A 30 -0.002 -4.947 15.992 1.00 42.21 H new ATOM 0 HB2 ALA A 30 1.699 -5.009 15.471 1.00 42.21 H new ATOM 0 HB3 ALA A 30 0.399 -4.941 14.258 1.00 42.21 H new ATOM 488 N LEU A 31 -1.288 -7.283 13.774 1.00 30.34 N ATOM 489 CA LEU A 31 -2.653 -7.687 13.488 1.00 22.12 C ATOM 490 C LEU A 31 -2.891 -9.178 13.504 1.00 71.24 C ATOM 491 O LEU A 31 -3.891 -9.635 14.069 1.00 23.02 O ATOM 492 CB LEU A 31 -3.255 -7.059 12.232 1.00 74.42 C ATOM 493 CG LEU A 31 -3.507 -5.565 12.280 1.00 55.01 C ATOM 494 CD1 LEU A 31 -2.259 -4.738 12.035 1.00 40.51 C ATOM 495 CD2 LEU A 31 -4.658 -5.162 11.399 1.00 15.23 C ATOM 0 H LEU A 31 -0.754 -6.970 12.963 1.00 30.34 H new ATOM 0 HA LEU A 31 -3.192 -7.273 14.340 1.00 22.12 H new ATOM 0 HB2 LEU A 31 -2.590 -7.267 11.394 1.00 74.42 H new ATOM 0 HB3 LEU A 31 -4.200 -7.558 12.020 1.00 74.42 H new ATOM 0 HG LEU A 31 -3.801 -5.338 13.305 1.00 55.01 H new ATOM 0 HD11 LEU A 31 -2.510 -3.678 12.083 1.00 40.51 H new ATOM 0 HD12 LEU A 31 -1.514 -4.970 12.796 1.00 40.51 H new ATOM 0 HD13 LEU A 31 -1.856 -4.971 11.050 1.00 40.51 H new ATOM 0 HD21 LEU A 31 -4.805 -4.084 11.463 1.00 15.23 H new ATOM 0 HD22 LEU A 31 -4.441 -5.438 10.367 1.00 15.23 H new ATOM 0 HD23 LEU A 31 -5.564 -5.671 11.728 1.00 15.23 H new ATOM 507 N GLU A 32 -2.004 -9.949 12.904 1.00 10.30 N ATOM 508 CA GLU A 32 -2.251 -11.371 12.810 1.00 70.22 C ATOM 509 C GLU A 32 -2.118 -12.141 14.113 1.00 74.50 C ATOM 510 O GLU A 32 -2.793 -13.154 14.305 1.00 50.32 O ATOM 511 CB GLU A 32 -1.660 -12.044 11.563 1.00 62.31 C ATOM 512 CG GLU A 32 -0.196 -11.792 11.262 1.00 71.04 C ATOM 513 CD GLU A 32 0.726 -12.421 12.239 1.00 53.14 C ATOM 514 OE1 GLU A 32 1.143 -11.758 13.162 1.00 20.33 O ATOM 515 OE2 GLU A 32 1.048 -13.616 12.079 1.00 12.03 O ATOM 0 H GLU A 32 -1.131 -9.626 12.486 1.00 10.30 H new ATOM 0 HA GLU A 32 -3.323 -11.434 12.626 1.00 70.22 H new ATOM 0 HB2 GLU A 32 -1.803 -13.120 11.661 1.00 62.31 H new ATOM 0 HB3 GLU A 32 -2.242 -11.722 10.699 1.00 62.31 H new ATOM 0 HG2 GLU A 32 0.032 -12.169 10.265 1.00 71.04 H new ATOM 0 HG3 GLU A 32 -0.017 -10.717 11.245 1.00 71.04 H new ATOM 522 N GLU A 33 -1.280 -11.659 15.009 1.00 72.22 N ATOM 523 CA GLU A 33 -1.232 -12.196 16.385 1.00 0.11 C ATOM 524 C GLU A 33 -2.603 -12.054 17.058 1.00 71.41 C ATOM 525 O GLU A 33 -3.021 -12.907 17.830 1.00 32.41 O ATOM 526 CB GLU A 33 -0.181 -11.481 17.237 1.00 45.02 C ATOM 527 CG GLU A 33 1.252 -11.729 16.824 1.00 62.11 C ATOM 528 CD GLU A 33 1.669 -13.159 16.983 1.00 12.23 C ATOM 529 OE1 GLU A 33 2.212 -13.510 18.047 1.00 42.23 O ATOM 530 OE2 GLU A 33 1.478 -13.958 16.055 1.00 13.41 O ATOM 0 H GLU A 33 -0.621 -10.902 14.827 1.00 72.22 H new ATOM 0 HA GLU A 33 -0.959 -13.249 16.312 1.00 0.11 H new ATOM 0 HB2 GLU A 33 -0.374 -10.409 17.201 1.00 45.02 H new ATOM 0 HB3 GLU A 33 -0.303 -11.792 18.275 1.00 45.02 H new ATOM 0 HG2 GLU A 33 1.381 -11.433 15.783 1.00 62.11 H new ATOM 0 HG3 GLU A 33 1.910 -11.096 17.419 1.00 62.11 H new ATOM 537 N LYS A 34 -3.295 -10.968 16.742 1.00 13.54 N ATOM 538 CA LYS A 34 -4.632 -10.710 17.271 1.00 11.20 C ATOM 539 C LYS A 34 -5.727 -11.366 16.434 1.00 31.01 C ATOM 540 O LYS A 34 -6.881 -11.408 16.839 1.00 33.10 O ATOM 541 CB LYS A 34 -4.897 -9.214 17.359 1.00 53.23 C ATOM 542 CG LYS A 34 -4.320 -8.501 18.565 1.00 3.31 C ATOM 543 CD LYS A 34 -5.028 -8.951 19.832 1.00 12.13 C ATOM 544 CE LYS A 34 -4.600 -8.140 21.033 1.00 72.35 C ATOM 545 NZ LYS A 34 -5.301 -8.563 22.259 1.00 13.32 N ATOM 0 H LYS A 34 -2.949 -10.242 16.114 1.00 13.54 H new ATOM 0 HA LYS A 34 -4.660 -11.150 18.268 1.00 11.20 H new ATOM 0 HB2 LYS A 34 -4.500 -8.743 16.460 1.00 53.23 H new ATOM 0 HB3 LYS A 34 -5.976 -9.056 17.352 1.00 53.23 H new ATOM 0 HG2 LYS A 34 -3.253 -8.709 18.643 1.00 3.31 H new ATOM 0 HG3 LYS A 34 -4.426 -7.423 18.444 1.00 3.31 H new ATOM 0 HD2 LYS A 34 -6.106 -8.860 19.698 1.00 12.13 H new ATOM 0 HD3 LYS A 34 -4.817 -10.005 20.011 1.00 12.13 H new ATOM 0 HE2 LYS A 34 -3.524 -8.243 21.176 1.00 72.35 H new ATOM 0 HE3 LYS A 34 -4.798 -7.084 20.847 1.00 72.35 H new ATOM 0 HZ1 LYS A 34 -4.980 -7.983 23.060 1.00 13.32 H new ATOM 0 HZ2 LYS A 34 -6.326 -8.441 22.132 1.00 13.32 H new ATOM 0 HZ3 LYS A 34 -5.092 -9.564 22.451 1.00 13.32 H new ATOM 559 N GLY A 35 -5.371 -11.878 15.288 1.00 72.12 N ATOM 560 CA GLY A 35 -6.351 -12.535 14.451 1.00 23.23 C ATOM 561 C GLY A 35 -7.104 -11.584 13.527 1.00 70.04 C ATOM 562 O GLY A 35 -8.215 -11.888 13.098 1.00 54.41 O ATOM 0 H GLY A 35 -4.423 -11.857 14.911 1.00 72.12 H new ATOM 0 HA2 GLY A 35 -5.851 -13.293 13.848 1.00 23.23 H new ATOM 0 HA3 GLY A 35 -7.069 -13.055 15.086 1.00 23.23 H new ATOM 566 N TYR A 36 -6.520 -10.434 13.237 1.00 44.40 N ATOM 567 CA TYR A 36 -7.124 -9.497 12.285 1.00 12.53 C ATOM 568 C TYR A 36 -6.405 -9.655 10.951 1.00 23.55 C ATOM 569 O TYR A 36 -5.423 -10.408 10.865 1.00 41.41 O ATOM 570 CB TYR A 36 -6.977 -8.030 12.746 1.00 73.43 C ATOM 571 CG TYR A 36 -7.595 -7.674 14.081 1.00 63.44 C ATOM 572 CD1 TYR A 36 -6.797 -7.454 15.192 1.00 33.14 C ATOM 573 CD2 TYR A 36 -8.966 -7.525 14.228 1.00 44.12 C ATOM 574 CE1 TYR A 36 -7.340 -7.108 16.410 1.00 4.30 C ATOM 575 CE2 TYR A 36 -9.516 -7.173 15.449 1.00 74.11 C ATOM 576 CZ TYR A 36 -8.694 -6.968 16.536 1.00 63.52 C ATOM 577 OH TYR A 36 -9.231 -6.624 17.759 1.00 11.12 O ATOM 0 H TYR A 36 -5.636 -10.122 13.639 1.00 44.40 H new ATOM 0 HA TYR A 36 -8.188 -9.722 12.206 1.00 12.53 H new ATOM 0 HB2 TYR A 36 -5.914 -7.791 12.788 1.00 73.43 H new ATOM 0 HB3 TYR A 36 -7.418 -7.388 11.984 1.00 73.43 H new ATOM 0 HD1 TYR A 36 -5.726 -7.556 15.101 1.00 33.14 H new ATOM 0 HD2 TYR A 36 -9.613 -7.686 13.379 1.00 44.12 H new ATOM 0 HE1 TYR A 36 -6.698 -6.948 17.263 1.00 4.30 H new ATOM 0 HE2 TYR A 36 -10.585 -7.060 15.549 1.00 74.11 H new ATOM 0 HH TYR A 36 -10.206 -6.563 17.683 1.00 11.12 H new ATOM 587 N ASN A 37 -6.864 -8.963 9.923 1.00 50.30 N ATOM 588 CA ASN A 37 -6.166 -8.982 8.641 1.00 0.31 C ATOM 589 C ASN A 37 -5.296 -7.752 8.527 1.00 1.44 C ATOM 590 O ASN A 37 -5.804 -6.650 8.295 1.00 74.43 O ATOM 591 CB ASN A 37 -7.113 -9.055 7.429 1.00 61.42 C ATOM 592 CG ASN A 37 -7.914 -10.334 7.356 1.00 25.34 C ATOM 593 OD1 ASN A 37 -9.016 -10.414 7.885 1.00 31.51 O ATOM 594 ND2 ASN A 37 -7.387 -11.329 6.682 1.00 42.33 N ATOM 0 H ASN A 37 -7.705 -8.387 9.945 1.00 50.30 H new ATOM 0 HA ASN A 37 -5.563 -9.890 8.623 1.00 0.31 H new ATOM 0 HB2 ASN A 37 -7.800 -8.209 7.465 1.00 61.42 H new ATOM 0 HB3 ASN A 37 -6.527 -8.952 6.516 1.00 61.42 H new ATOM 0 HD21 ASN A 37 -7.898 -12.206 6.585 1.00 42.33 H new ATOM 0 HD22 ASN A 37 -6.466 -11.225 6.255 1.00 42.33 H new ATOM 601 N PRO A 38 -3.968 -7.917 8.698 1.00 45.32 N ATOM 602 CA PRO A 38 -3.008 -6.806 8.675 1.00 72.31 C ATOM 603 C PRO A 38 -3.125 -5.946 7.441 1.00 55.10 C ATOM 604 O PRO A 38 -3.094 -4.725 7.519 1.00 5.32 O ATOM 605 CB PRO A 38 -1.661 -7.502 8.675 1.00 25.23 C ATOM 606 CG PRO A 38 -1.900 -8.842 9.272 1.00 3.15 C ATOM 607 CD PRO A 38 -3.305 -9.214 8.947 1.00 51.34 C ATOM 0 HA PRO A 38 -3.172 -6.130 9.514 1.00 72.31 H new ATOM 0 HB2 PRO A 38 -1.266 -7.589 7.663 1.00 25.23 H new ATOM 0 HB3 PRO A 38 -0.930 -6.940 9.256 1.00 25.23 H new ATOM 0 HG2 PRO A 38 -1.203 -9.575 8.867 1.00 3.15 H new ATOM 0 HG3 PRO A 38 -1.746 -8.817 10.351 1.00 3.15 H new ATOM 0 HD2 PRO A 38 -3.354 -9.862 8.072 1.00 51.34 H new ATOM 0 HD3 PRO A 38 -3.776 -9.752 9.769 1.00 51.34 H new ATOM 615 N ILE A 39 -3.320 -6.595 6.315 1.00 4.23 N ATOM 616 CA ILE A 39 -3.375 -5.924 5.036 1.00 62.33 C ATOM 617 C ILE A 39 -4.561 -4.962 4.979 1.00 60.44 C ATOM 618 O ILE A 39 -4.427 -3.849 4.505 1.00 44.04 O ATOM 619 CB ILE A 39 -3.463 -6.950 3.878 1.00 32.32 C ATOM 620 CG1 ILE A 39 -2.320 -7.979 3.994 1.00 20.42 C ATOM 621 CG2 ILE A 39 -3.428 -6.250 2.521 1.00 42.51 C ATOM 622 CD1 ILE A 39 -0.921 -7.381 3.967 1.00 20.54 C ATOM 0 H ILE A 39 -3.445 -7.606 6.261 1.00 4.23 H new ATOM 0 HA ILE A 39 -2.456 -5.350 4.920 1.00 62.33 H new ATOM 0 HB ILE A 39 -4.415 -7.476 3.955 1.00 32.32 H new ATOM 0 HG12 ILE A 39 -2.444 -8.537 4.922 1.00 20.42 H new ATOM 0 HG13 ILE A 39 -2.410 -8.695 3.177 1.00 20.42 H new ATOM 0 HG21 ILE A 39 -3.491 -6.993 1.726 1.00 42.51 H new ATOM 0 HG22 ILE A 39 -4.271 -5.564 2.444 1.00 42.51 H new ATOM 0 HG23 ILE A 39 -2.496 -5.693 2.423 1.00 42.51 H new ATOM 0 HD11 ILE A 39 -0.183 -8.178 4.054 1.00 20.54 H new ATOM 0 HD12 ILE A 39 -0.771 -6.848 3.028 1.00 20.54 H new ATOM 0 HD13 ILE A 39 -0.806 -6.687 4.800 1.00 20.54 H new ATOM 634 N ASN A 40 -5.693 -5.393 5.537 1.00 15.51 N ATOM 635 CA ASN A 40 -6.940 -4.600 5.525 1.00 14.02 C ATOM 636 C ASN A 40 -6.766 -3.274 6.223 1.00 61.11 C ATOM 637 O ASN A 40 -7.178 -2.229 5.711 1.00 72.55 O ATOM 638 CB ASN A 40 -8.110 -5.371 6.169 1.00 1.41 C ATOM 639 CG ASN A 40 -8.659 -6.526 5.334 1.00 70.40 C ATOM 640 OD1 ASN A 40 -7.857 -7.101 4.477 1.00 34.32 O flip ATOM 641 ND2 ASN A 40 -9.826 -6.881 5.456 1.00 20.05 N flip ATOM 0 H ASN A 40 -5.780 -6.293 6.008 1.00 15.51 H new ATOM 0 HA ASN A 40 -7.176 -4.414 4.477 1.00 14.02 H new ATOM 0 HB2 ASN A 40 -7.781 -5.763 7.132 1.00 1.41 H new ATOM 0 HB3 ASN A 40 -8.920 -4.670 6.370 1.00 1.41 H new ATOM 0 HD21 ASN A 40 -10.432 -6.417 6.132 1.00 20.05 H new ATOM 0 HD22 ASN A 40 -10.191 -7.641 4.882 1.00 20.05 H new ATOM 648 N GLN A 41 -6.162 -3.305 7.386 1.00 54.25 N ATOM 649 CA GLN A 41 -5.945 -2.090 8.130 1.00 34.34 C ATOM 650 C GLN A 41 -4.840 -1.235 7.544 1.00 51.10 C ATOM 651 O GLN A 41 -4.917 -0.018 7.600 1.00 23.42 O ATOM 652 CB GLN A 41 -5.751 -2.346 9.615 1.00 51.50 C ATOM 653 CG GLN A 41 -6.968 -2.983 10.312 1.00 5.21 C ATOM 654 CD GLN A 41 -8.239 -2.139 10.255 1.00 72.52 C ATOM 655 OE1 GLN A 41 -8.471 -1.390 9.320 1.00 73.44 O ATOM 656 NE2 GLN A 41 -9.063 -2.255 11.262 1.00 64.21 N ATOM 0 H GLN A 41 -5.814 -4.152 7.835 1.00 54.25 H new ATOM 0 HA GLN A 41 -6.862 -1.509 8.033 1.00 34.34 H new ATOM 0 HB2 GLN A 41 -4.888 -2.997 9.750 1.00 51.50 H new ATOM 0 HB3 GLN A 41 -5.518 -1.402 10.107 1.00 51.50 H new ATOM 0 HG2 GLN A 41 -7.168 -3.951 9.854 1.00 5.21 H new ATOM 0 HG3 GLN A 41 -6.717 -3.170 11.356 1.00 5.21 H new ATOM 0 HE21 GLN A 41 -8.843 -2.889 12.030 1.00 64.21 H new ATOM 0 HE22 GLN A 41 -9.926 -1.712 11.280 1.00 64.21 H new ATOM 665 N ILE A 42 -3.809 -1.867 6.970 1.00 60.45 N ATOM 666 CA ILE A 42 -2.731 -1.105 6.338 1.00 3.11 C ATOM 667 C ILE A 42 -3.263 -0.333 5.134 1.00 74.33 C ATOM 668 O ILE A 42 -3.074 0.879 5.044 1.00 54.52 O ATOM 669 CB ILE A 42 -1.507 -1.983 5.922 1.00 51.32 C ATOM 670 CG1 ILE A 42 -0.875 -2.637 7.163 1.00 1.12 C ATOM 671 CG2 ILE A 42 -0.463 -1.132 5.174 1.00 2.15 C ATOM 672 CD1 ILE A 42 0.297 -3.557 6.859 1.00 64.10 C ATOM 0 H ILE A 42 -3.701 -2.880 6.931 1.00 60.45 H new ATOM 0 HA ILE A 42 -2.366 -0.408 7.092 1.00 3.11 H new ATOM 0 HB ILE A 42 -1.855 -2.769 5.252 1.00 51.32 H new ATOM 0 HG12 ILE A 42 -0.539 -1.852 7.841 1.00 1.12 H new ATOM 0 HG13 ILE A 42 -1.641 -3.206 7.689 1.00 1.12 H new ATOM 0 HG21 ILE A 42 0.383 -1.759 4.892 1.00 2.15 H new ATOM 0 HG22 ILE A 42 -0.915 -0.707 4.278 1.00 2.15 H new ATOM 0 HG23 ILE A 42 -0.117 -0.327 5.823 1.00 2.15 H new ATOM 0 HD11 ILE A 42 0.682 -3.975 7.789 1.00 64.10 H new ATOM 0 HD12 ILE A 42 -0.035 -4.366 6.208 1.00 64.10 H new ATOM 0 HD13 ILE A 42 1.085 -2.991 6.362 1.00 64.10 H new ATOM 684 N VAL A 43 -3.967 -1.023 4.232 1.00 34.32 N ATOM 685 CA VAL A 43 -4.542 -0.353 3.069 1.00 34.11 C ATOM 686 C VAL A 43 -5.504 0.770 3.508 1.00 44.14 C ATOM 687 O VAL A 43 -5.467 1.879 2.962 1.00 22.41 O ATOM 688 CB VAL A 43 -5.206 -1.353 2.031 1.00 13.53 C ATOM 689 CG1 VAL A 43 -6.264 -2.219 2.676 1.00 65.24 C ATOM 690 CG2 VAL A 43 -5.823 -0.598 0.869 1.00 72.21 C ATOM 0 H VAL A 43 -4.149 -2.025 4.284 1.00 34.32 H new ATOM 0 HA VAL A 43 -3.717 0.107 2.525 1.00 34.11 H new ATOM 0 HB VAL A 43 -4.407 -1.998 1.665 1.00 13.53 H new ATOM 0 HG11 VAL A 43 -6.692 -2.888 1.929 1.00 65.24 H new ATOM 0 HG12 VAL A 43 -5.814 -2.808 3.476 1.00 65.24 H new ATOM 0 HG13 VAL A 43 -7.050 -1.587 3.089 1.00 65.24 H new ATOM 0 HG21 VAL A 43 -6.271 -1.306 0.172 1.00 72.21 H new ATOM 0 HG22 VAL A 43 -6.591 0.080 1.242 1.00 72.21 H new ATOM 0 HG23 VAL A 43 -5.051 -0.024 0.357 1.00 72.21 H new ATOM 700 N GLY A 44 -6.304 0.497 4.546 1.00 5.54 N ATOM 701 CA GLY A 44 -7.201 1.498 5.080 1.00 21.52 C ATOM 702 C GLY A 44 -6.439 2.683 5.651 1.00 22.04 C ATOM 703 O GLY A 44 -6.855 3.842 5.485 1.00 51.12 O ATOM 0 H GLY A 44 -6.340 -0.405 5.021 1.00 5.54 H new ATOM 0 HA2 GLY A 44 -7.874 1.841 4.294 1.00 21.52 H new ATOM 0 HA3 GLY A 44 -7.821 1.054 5.859 1.00 21.52 H new ATOM 707 N TYR A 45 -5.315 2.401 6.309 1.00 62.31 N ATOM 708 CA TYR A 45 -4.478 3.435 6.877 1.00 14.04 C ATOM 709 C TYR A 45 -3.961 4.382 5.825 1.00 62.03 C ATOM 710 O TYR A 45 -4.147 5.577 5.943 1.00 73.44 O ATOM 711 CB TYR A 45 -3.297 2.873 7.703 1.00 5.54 C ATOM 712 CG TYR A 45 -2.345 3.972 8.167 1.00 33.15 C ATOM 713 CD1 TYR A 45 -1.118 4.175 7.546 1.00 61.55 C ATOM 714 CD2 TYR A 45 -2.688 4.817 9.195 1.00 45.25 C ATOM 715 CE1 TYR A 45 -0.276 5.186 7.945 1.00 51.12 C ATOM 716 CE2 TYR A 45 -1.852 5.835 9.597 1.00 63.04 C ATOM 717 CZ TYR A 45 -0.650 6.014 8.973 1.00 35.44 C ATOM 718 OH TYR A 45 0.183 7.029 9.374 1.00 5.14 O ATOM 0 H TYR A 45 -4.968 1.453 6.458 1.00 62.31 H new ATOM 0 HA TYR A 45 -5.125 3.986 7.559 1.00 14.04 H new ATOM 0 HB2 TYR A 45 -3.684 2.339 8.571 1.00 5.54 H new ATOM 0 HB3 TYR A 45 -2.748 2.148 7.102 1.00 5.54 H new ATOM 0 HD1 TYR A 45 -0.821 3.527 6.735 1.00 61.55 H new ATOM 0 HD2 TYR A 45 -3.634 4.680 9.699 1.00 45.25 H new ATOM 0 HE1 TYR A 45 0.674 5.328 7.452 1.00 51.12 H new ATOM 0 HE2 TYR A 45 -2.146 6.490 10.404 1.00 63.04 H new ATOM 0 HH TYR A 45 0.630 7.414 8.591 1.00 5.14 H new ATOM 728 N LEU A 46 -3.320 3.864 4.800 1.00 41.51 N ATOM 729 CA LEU A 46 -2.746 4.743 3.795 1.00 32.51 C ATOM 730 C LEU A 46 -3.808 5.470 2.974 1.00 15.15 C ATOM 731 O LEU A 46 -3.628 6.634 2.626 1.00 14.42 O ATOM 732 CB LEU A 46 -1.681 4.070 2.894 1.00 52.04 C ATOM 733 CG LEU A 46 -0.357 3.603 3.566 1.00 33.14 C ATOM 734 CD1 LEU A 46 -0.540 2.390 4.438 1.00 64.41 C ATOM 735 CD2 LEU A 46 0.724 3.366 2.536 1.00 0.20 C ATOM 0 H LEU A 46 -3.183 2.866 4.639 1.00 41.51 H new ATOM 0 HA LEU A 46 -2.206 5.497 4.368 1.00 32.51 H new ATOM 0 HB2 LEU A 46 -2.141 3.203 2.421 1.00 52.04 H new ATOM 0 HB3 LEU A 46 -1.425 4.769 2.098 1.00 52.04 H new ATOM 0 HG LEU A 46 -0.042 4.416 4.220 1.00 33.14 H new ATOM 0 HD11 LEU A 46 0.417 2.111 4.879 1.00 64.41 H new ATOM 0 HD12 LEU A 46 -1.253 2.616 5.231 1.00 64.41 H new ATOM 0 HD13 LEU A 46 -0.917 1.563 3.836 1.00 64.41 H new ATOM 0 HD21 LEU A 46 1.637 3.041 3.035 1.00 0.20 H new ATOM 0 HD22 LEU A 46 0.398 2.596 1.837 1.00 0.20 H new ATOM 0 HD23 LEU A 46 0.917 4.291 1.992 1.00 0.20 H new ATOM 747 N LEU A 47 -4.918 4.811 2.694 1.00 21.43 N ATOM 748 CA LEU A 47 -5.968 5.447 1.909 1.00 43.41 C ATOM 749 C LEU A 47 -6.667 6.574 2.682 1.00 34.04 C ATOM 750 O LEU A 47 -6.910 7.645 2.129 1.00 71.12 O ATOM 751 CB LEU A 47 -6.994 4.437 1.381 1.00 33.10 C ATOM 752 CG LEU A 47 -6.464 3.334 0.451 1.00 30.43 C ATOM 753 CD1 LEU A 47 -7.604 2.464 -0.052 1.00 5.40 C ATOM 754 CD2 LEU A 47 -5.671 3.916 -0.713 1.00 41.02 C ATOM 0 H LEU A 47 -5.117 3.855 2.990 1.00 21.43 H new ATOM 0 HA LEU A 47 -5.470 5.892 1.048 1.00 43.41 H new ATOM 0 HB2 LEU A 47 -7.472 3.960 2.236 1.00 33.10 H new ATOM 0 HB3 LEU A 47 -7.770 4.987 0.848 1.00 33.10 H new ATOM 0 HG LEU A 47 -5.784 2.710 1.031 1.00 30.43 H new ATOM 0 HD11 LEU A 47 -7.208 1.689 -0.709 1.00 5.40 H new ATOM 0 HD12 LEU A 47 -8.108 1.999 0.795 1.00 5.40 H new ATOM 0 HD13 LEU A 47 -8.315 3.079 -0.604 1.00 5.40 H new ATOM 0 HD21 LEU A 47 -5.312 3.107 -1.349 1.00 41.02 H new ATOM 0 HD22 LEU A 47 -6.312 4.578 -1.295 1.00 41.02 H new ATOM 0 HD23 LEU A 47 -4.821 4.480 -0.328 1.00 41.02 H new ATOM 766 N SER A 48 -6.955 6.352 3.956 1.00 64.44 N ATOM 767 CA SER A 48 -7.665 7.356 4.731 1.00 12.02 C ATOM 768 C SER A 48 -6.702 8.307 5.456 1.00 14.24 C ATOM 769 O SER A 48 -7.050 9.463 5.712 1.00 2.54 O ATOM 770 CB SER A 48 -8.604 6.669 5.737 1.00 35.15 C ATOM 771 OG SER A 48 -9.357 7.606 6.509 1.00 21.23 O ATOM 0 H SER A 48 -6.713 5.503 4.466 1.00 64.44 H new ATOM 0 HA SER A 48 -8.254 7.960 4.040 1.00 12.02 H new ATOM 0 HB2 SER A 48 -9.288 6.012 5.200 1.00 35.15 H new ATOM 0 HB3 SER A 48 -8.017 6.040 6.406 1.00 35.15 H new ATOM 0 HG SER A 48 -9.939 7.123 7.132 1.00 21.23 H new ATOM 777 N GLY A 49 -5.492 7.845 5.742 1.00 51.21 N ATOM 778 CA GLY A 49 -4.545 8.661 6.459 1.00 12.31 C ATOM 779 C GLY A 49 -4.974 8.857 7.895 1.00 72.43 C ATOM 780 O GLY A 49 -5.119 9.985 8.349 1.00 60.54 O ATOM 0 H GLY A 49 -5.153 6.917 5.488 1.00 51.21 H new ATOM 0 HA2 GLY A 49 -3.561 8.192 6.431 1.00 12.31 H new ATOM 0 HA3 GLY A 49 -4.451 9.630 5.969 1.00 12.31 H new ATOM 784 N ASP A 50 -5.202 7.759 8.605 1.00 3.24 N ATOM 785 CA ASP A 50 -5.640 7.833 10.001 1.00 62.42 C ATOM 786 C ASP A 50 -5.055 6.676 10.819 1.00 24.03 C ATOM 787 O ASP A 50 -5.286 5.513 10.504 1.00 33.12 O ATOM 788 CB ASP A 50 -7.161 7.832 10.099 1.00 51.32 C ATOM 789 CG ASP A 50 -7.632 8.030 11.517 1.00 65.24 C ATOM 790 OD1 ASP A 50 -7.938 7.039 12.199 1.00 72.34 O ATOM 791 OD2 ASP A 50 -7.691 9.197 11.969 1.00 54.34 O ATOM 0 H ASP A 50 -5.093 6.811 8.244 1.00 3.24 H new ATOM 0 HA ASP A 50 -5.270 8.771 10.414 1.00 62.42 H new ATOM 0 HB2 ASP A 50 -7.566 8.623 9.468 1.00 51.32 H new ATOM 0 HB3 ASP A 50 -7.549 6.888 9.716 1.00 51.32 H new ATOM 796 N PRO A 51 -4.299 6.989 11.889 1.00 35.13 N ATOM 797 CA PRO A 51 -3.569 5.995 12.706 1.00 35.23 C ATOM 798 C PRO A 51 -4.445 4.949 13.418 1.00 54.34 C ATOM 799 O PRO A 51 -3.958 3.854 13.738 1.00 20.24 O ATOM 800 CB PRO A 51 -2.800 6.842 13.726 1.00 45.43 C ATOM 801 CG PRO A 51 -3.529 8.136 13.776 1.00 62.20 C ATOM 802 CD PRO A 51 -4.084 8.358 12.399 1.00 31.22 C ATOM 0 HA PRO A 51 -2.939 5.383 12.060 1.00 35.23 H new ATOM 0 HB2 PRO A 51 -2.781 6.361 14.704 1.00 45.43 H new ATOM 0 HB3 PRO A 51 -1.763 6.984 13.420 1.00 45.43 H new ATOM 0 HG2 PRO A 51 -4.328 8.104 14.517 1.00 62.20 H new ATOM 0 HG3 PRO A 51 -2.861 8.948 14.062 1.00 62.20 H new ATOM 0 HD2 PRO A 51 -5.014 8.926 12.428 1.00 31.22 H new ATOM 0 HD3 PRO A 51 -3.389 8.916 11.771 1.00 31.22 H new ATOM 810 N ALA A 52 -5.717 5.269 13.663 1.00 31.12 N ATOM 811 CA ALA A 52 -6.613 4.395 14.448 1.00 2.55 C ATOM 812 C ALA A 52 -6.836 3.009 13.823 1.00 51.32 C ATOM 813 O ALA A 52 -7.361 2.109 14.483 1.00 54.45 O ATOM 814 CB ALA A 52 -7.935 5.074 14.727 1.00 41.14 C ATOM 0 H ALA A 52 -6.157 6.127 13.332 1.00 31.12 H new ATOM 0 HA ALA A 52 -6.096 4.221 15.392 1.00 2.55 H new ATOM 0 HB1 ALA A 52 -8.572 4.406 15.306 1.00 41.14 H new ATOM 0 HB2 ALA A 52 -7.762 5.990 15.292 1.00 41.14 H new ATOM 0 HB3 ALA A 52 -8.426 5.317 13.784 1.00 41.14 H new ATOM 820 N TYR A 53 -6.444 2.839 12.571 1.00 42.41 N ATOM 821 CA TYR A 53 -6.561 1.550 11.900 1.00 62.31 C ATOM 822 C TYR A 53 -5.649 0.478 12.499 1.00 15.24 C ATOM 823 O TYR A 53 -5.995 -0.704 12.516 1.00 13.00 O ATOM 824 CB TYR A 53 -6.289 1.687 10.409 1.00 70.11 C ATOM 825 CG TYR A 53 -7.413 2.338 9.681 1.00 2.42 C ATOM 826 CD1 TYR A 53 -8.537 1.613 9.400 1.00 13.34 C ATOM 827 CD2 TYR A 53 -7.368 3.661 9.290 1.00 11.21 C ATOM 828 CE1 TYR A 53 -9.591 2.159 8.750 1.00 4.42 C ATOM 829 CE2 TYR A 53 -8.432 4.231 8.629 1.00 14.31 C ATOM 830 CZ TYR A 53 -9.545 3.469 8.362 1.00 30.52 C ATOM 831 OH TYR A 53 -10.617 4.021 7.702 1.00 1.01 O ATOM 0 H TYR A 53 -6.041 3.578 11.995 1.00 42.41 H new ATOM 0 HA TYR A 53 -7.589 1.221 12.054 1.00 62.31 H new ATOM 0 HB2 TYR A 53 -5.379 2.269 10.261 1.00 70.11 H new ATOM 0 HB3 TYR A 53 -6.109 0.700 9.984 1.00 70.11 H new ATOM 0 HD1 TYR A 53 -8.585 0.578 9.704 1.00 13.34 H new ATOM 0 HD2 TYR A 53 -6.491 4.254 9.504 1.00 11.21 H new ATOM 0 HE1 TYR A 53 -10.466 1.562 8.539 1.00 4.42 H new ATOM 0 HE2 TYR A 53 -8.393 5.266 8.323 1.00 14.31 H new ATOM 0 HH TYR A 53 -10.427 4.960 7.497 1.00 1.01 H new ATOM 841 N ILE A 54 -4.511 0.886 13.011 1.00 43.23 N ATOM 842 CA ILE A 54 -3.541 -0.071 13.512 1.00 14.35 C ATOM 843 C ILE A 54 -3.753 -0.335 15.012 1.00 63.52 C ATOM 844 O ILE A 54 -3.782 0.606 15.813 1.00 53.24 O ATOM 845 CB ILE A 54 -2.082 0.411 13.250 1.00 71.53 C ATOM 846 CG1 ILE A 54 -1.875 0.707 11.747 1.00 11.32 C ATOM 847 CG2 ILE A 54 -1.059 -0.622 13.737 1.00 3.12 C ATOM 848 CD1 ILE A 54 -2.159 -0.468 10.819 1.00 31.40 C ATOM 0 H ILE A 54 -4.232 1.864 13.093 1.00 43.23 H new ATOM 0 HA ILE A 54 -3.693 -1.005 12.970 1.00 14.35 H new ATOM 0 HB ILE A 54 -1.925 1.330 13.815 1.00 71.53 H new ATOM 0 HG12 ILE A 54 -2.519 1.540 11.463 1.00 11.32 H new ATOM 0 HG13 ILE A 54 -0.846 1.033 11.594 1.00 11.32 H new ATOM 0 HG21 ILE A 54 -0.051 -0.257 13.540 1.00 3.12 H new ATOM 0 HG22 ILE A 54 -1.184 -0.781 14.808 1.00 3.12 H new ATOM 0 HG23 ILE A 54 -1.213 -1.563 13.210 1.00 3.12 H new ATOM 0 HD11 ILE A 54 -1.987 -0.166 9.786 1.00 31.40 H new ATOM 0 HD12 ILE A 54 -1.498 -1.298 11.069 1.00 31.40 H new ATOM 0 HD13 ILE A 54 -3.196 -0.782 10.937 1.00 31.40 H new ATOM 860 N PRO A 55 -3.939 -1.624 15.401 1.00 2.04 N ATOM 861 CA PRO A 55 -4.132 -2.026 16.804 1.00 12.31 C ATOM 862 C PRO A 55 -2.965 -1.625 17.712 1.00 62.10 C ATOM 863 O PRO A 55 -1.798 -1.562 17.287 1.00 72.23 O ATOM 864 CB PRO A 55 -4.230 -3.553 16.736 1.00 50.55 C ATOM 865 CG PRO A 55 -4.654 -3.837 15.353 1.00 73.35 C ATOM 866 CD PRO A 55 -4.003 -2.786 14.504 1.00 44.52 C ATOM 0 HA PRO A 55 -5.008 -1.538 17.232 1.00 12.31 H new ATOM 0 HB2 PRO A 55 -3.272 -4.022 16.961 1.00 50.55 H new ATOM 0 HB3 PRO A 55 -4.951 -3.937 17.458 1.00 50.55 H new ATOM 0 HG2 PRO A 55 -4.344 -4.836 15.046 1.00 73.35 H new ATOM 0 HG3 PRO A 55 -5.739 -3.798 15.261 1.00 73.35 H new ATOM 0 HD2 PRO A 55 -3.011 -3.094 14.172 1.00 44.52 H new ATOM 0 HD3 PRO A 55 -4.587 -2.572 13.609 1.00 44.52 H new ATOM 874 N ARG A 56 -3.283 -1.405 18.964 1.00 44.21 N ATOM 875 CA ARG A 56 -2.332 -0.956 19.966 1.00 41.04 C ATOM 876 C ARG A 56 -1.655 -2.131 20.666 1.00 53.20 C ATOM 877 O ARG A 56 -0.941 -1.949 21.658 1.00 74.10 O ATOM 878 CB ARG A 56 -3.051 -0.060 20.965 1.00 60.13 C ATOM 879 CG ARG A 56 -3.643 1.179 20.317 1.00 30.31 C ATOM 880 CD ARG A 56 -4.534 1.953 21.263 1.00 70.31 C ATOM 881 NE ARG A 56 -5.093 3.134 20.605 1.00 24.31 N ATOM 882 CZ ARG A 56 -6.392 3.360 20.377 1.00 71.43 C ATOM 883 NH1 ARG A 56 -7.310 2.469 20.762 1.00 31.42 N ATOM 884 NH2 ARG A 56 -6.767 4.480 19.759 1.00 65.41 N ATOM 0 H ARG A 56 -4.227 -1.534 19.328 1.00 44.21 H new ATOM 0 HA ARG A 56 -1.542 -0.389 19.474 1.00 41.04 H new ATOM 0 HB2 ARG A 56 -3.846 -0.627 21.450 1.00 60.13 H new ATOM 0 HB3 ARG A 56 -2.353 0.241 21.746 1.00 60.13 H new ATOM 0 HG2 ARG A 56 -2.837 1.825 19.971 1.00 30.31 H new ATOM 0 HG3 ARG A 56 -4.217 0.887 19.438 1.00 30.31 H new ATOM 0 HD2 ARG A 56 -5.342 1.311 21.615 1.00 70.31 H new ATOM 0 HD3 ARG A 56 -3.963 2.257 22.140 1.00 70.31 H new ATOM 0 HE ARG A 56 -4.435 3.848 20.293 1.00 24.31 H new ATOM 0 HH11 ARG A 56 -7.022 1.611 21.232 1.00 31.42 H new ATOM 0 HH12 ARG A 56 -8.299 2.647 20.585 1.00 31.42 H new ATOM 0 HH21 ARG A 56 -6.065 5.159 19.463 1.00 65.41 H new ATOM 0 HH22 ARG A 56 -7.756 4.658 19.582 1.00 65.41 H new ATOM 898 N TYR A 57 -1.871 -3.326 20.126 1.00 33.41 N ATOM 899 CA TYR A 57 -1.271 -4.561 20.625 1.00 73.14 C ATOM 900 C TYR A 57 0.245 -4.443 20.733 1.00 21.43 C ATOM 901 O TYR A 57 0.852 -4.911 21.702 1.00 11.03 O ATOM 902 CB TYR A 57 -1.671 -5.753 19.730 1.00 3.15 C ATOM 903 CG TYR A 57 -1.005 -7.069 20.086 1.00 62.54 C ATOM 904 CD1 TYR A 57 -1.244 -7.691 21.305 1.00 1.15 C ATOM 905 CD2 TYR A 57 -0.128 -7.680 19.205 1.00 23.20 C ATOM 906 CE1 TYR A 57 -0.629 -8.882 21.628 1.00 24.02 C ATOM 907 CE2 TYR A 57 0.491 -8.868 19.523 1.00 34.34 C ATOM 908 CZ TYR A 57 0.238 -9.466 20.735 1.00 33.44 C ATOM 909 OH TYR A 57 0.857 -10.651 21.056 1.00 22.34 O ATOM 0 H TYR A 57 -2.477 -3.467 19.317 1.00 33.41 H new ATOM 0 HA TYR A 57 -1.654 -4.739 21.630 1.00 73.14 H new ATOM 0 HB2 TYR A 57 -2.752 -5.883 19.784 1.00 3.15 H new ATOM 0 HB3 TYR A 57 -1.431 -5.509 18.695 1.00 3.15 H new ATOM 0 HD1 TYR A 57 -1.922 -7.234 22.011 1.00 1.15 H new ATOM 0 HD2 TYR A 57 0.074 -7.216 18.251 1.00 23.20 H new ATOM 0 HE1 TYR A 57 -0.828 -9.354 22.579 1.00 24.02 H new ATOM 0 HE2 TYR A 57 1.173 -9.328 18.823 1.00 34.34 H new ATOM 0 HH TYR A 57 1.436 -10.928 20.316 1.00 22.34 H new ATOM 919 N GLN A 58 0.851 -3.815 19.762 1.00 21.14 N ATOM 920 CA GLN A 58 2.270 -3.604 19.778 1.00 53.12 C ATOM 921 C GLN A 58 2.600 -2.173 19.457 1.00 11.30 C ATOM 922 O GLN A 58 1.727 -1.387 19.083 1.00 61.43 O ATOM 923 CB GLN A 58 3.031 -4.547 18.821 1.00 52.05 C ATOM 924 CG GLN A 58 2.988 -6.016 19.200 1.00 53.32 C ATOM 925 CD GLN A 58 3.892 -6.859 18.330 1.00 65.23 C ATOM 926 OE1 GLN A 58 3.371 -7.390 17.260 1.00 1.50 O flip ATOM 927 NE2 GLN A 58 5.062 -7.042 18.642 1.00 64.40 N flip ATOM 0 H GLN A 58 0.376 -3.437 18.942 1.00 21.14 H new ATOM 0 HA GLN A 58 2.602 -3.837 20.790 1.00 53.12 H new ATOM 0 HB2 GLN A 58 2.618 -4.434 17.819 1.00 52.05 H new ATOM 0 HB3 GLN A 58 4.073 -4.230 18.774 1.00 52.05 H new ATOM 0 HG2 GLN A 58 3.283 -6.129 20.243 1.00 53.32 H new ATOM 0 HG3 GLN A 58 1.964 -6.381 19.117 1.00 53.32 H new ATOM 0 HE21 GLN A 58 5.438 -6.611 19.487 1.00 64.40 H new ATOM 0 HE22 GLN A 58 5.661 -7.625 18.057 1.00 64.40 H new ATOM 936 N ASP A 59 3.863 -1.855 19.579 1.00 43.12 N ATOM 937 CA ASP A 59 4.418 -0.534 19.282 1.00 52.11 C ATOM 938 C ASP A 59 4.374 -0.205 17.816 1.00 12.11 C ATOM 939 O ASP A 59 4.671 0.906 17.429 1.00 20.02 O ATOM 940 CB ASP A 59 5.816 -0.329 19.860 1.00 24.35 C ATOM 941 CG ASP A 59 5.806 -0.199 21.363 1.00 33.41 C ATOM 942 OD1 ASP A 59 5.754 -1.238 22.064 1.00 30.04 O ATOM 943 OD2 ASP A 59 5.847 0.951 21.866 1.00 53.44 O ATOM 0 H ASP A 59 4.567 -2.521 19.897 1.00 43.12 H new ATOM 0 HA ASP A 59 3.764 0.175 19.790 1.00 52.11 H new ATOM 0 HB2 ASP A 59 6.450 -1.169 19.575 1.00 24.35 H new ATOM 0 HB3 ASP A 59 6.258 0.567 19.424 1.00 24.35 H new ATOM 948 N ALA A 60 4.039 -1.198 16.998 1.00 74.43 N ATOM 949 CA ALA A 60 3.919 -1.042 15.545 1.00 61.23 C ATOM 950 C ALA A 60 3.073 0.186 15.176 1.00 70.45 C ATOM 951 O ALA A 60 3.376 0.883 14.212 1.00 62.21 O ATOM 952 CB ALA A 60 3.294 -2.285 14.953 1.00 31.45 C ATOM 0 H ALA A 60 3.841 -2.144 17.324 1.00 74.43 H new ATOM 0 HA ALA A 60 4.919 -0.896 15.138 1.00 61.23 H new ATOM 0 HB1 ALA A 60 3.205 -2.168 13.873 1.00 31.45 H new ATOM 0 HB2 ALA A 60 3.921 -3.148 15.174 1.00 31.45 H new ATOM 0 HB3 ALA A 60 2.304 -2.435 15.384 1.00 31.45 H new ATOM 958 N ARG A 61 2.032 0.447 15.971 1.00 44.43 N ATOM 959 CA ARG A 61 1.206 1.642 15.798 1.00 60.12 C ATOM 960 C ARG A 61 2.018 2.944 15.929 1.00 41.33 C ATOM 961 O ARG A 61 1.740 3.916 15.270 1.00 10.15 O ATOM 962 CB ARG A 61 -0.080 1.613 16.689 1.00 54.11 C ATOM 963 CG ARG A 61 0.109 1.153 18.146 1.00 70.51 C ATOM 964 CD ARG A 61 1.014 2.048 18.966 1.00 22.01 C ATOM 965 NE ARG A 61 1.331 1.461 20.275 1.00 15.24 N ATOM 966 CZ ARG A 61 2.166 2.010 21.170 1.00 54.31 C ATOM 967 NH1 ARG A 61 2.683 3.206 20.947 1.00 33.23 N ATOM 968 NH2 ARG A 61 2.455 1.373 22.296 1.00 30.53 N ATOM 0 H ARG A 61 1.742 -0.155 16.742 1.00 44.43 H new ATOM 0 HA ARG A 61 0.846 1.629 14.769 1.00 60.12 H new ATOM 0 HB2 ARG A 61 -0.511 2.614 16.700 1.00 54.11 H new ATOM 0 HB3 ARG A 61 -0.810 0.957 16.215 1.00 54.11 H new ATOM 0 HG2 ARG A 61 -0.867 1.102 18.629 1.00 70.51 H new ATOM 0 HG3 ARG A 61 0.518 0.143 18.146 1.00 70.51 H new ATOM 0 HD2 ARG A 61 1.938 2.230 18.417 1.00 22.01 H new ATOM 0 HD3 ARG A 61 0.533 3.016 19.110 1.00 22.01 H new ATOM 0 HE ARG A 61 0.886 0.576 20.520 1.00 15.24 H new ATOM 0 HH11 ARG A 61 2.447 3.713 20.094 1.00 33.23 H new ATOM 0 HH12 ARG A 61 3.318 3.622 21.628 1.00 33.23 H new ATOM 0 HH21 ARG A 61 2.042 0.460 22.486 1.00 30.53 H new ATOM 0 HH22 ARG A 61 3.091 1.796 22.972 1.00 30.53 H new ATOM 982 N ASN A 62 3.026 2.926 16.783 1.00 1.40 N ATOM 983 CA ASN A 62 3.903 4.073 16.991 1.00 44.44 C ATOM 984 C ASN A 62 4.879 4.179 15.826 1.00 52.34 C ATOM 985 O ASN A 62 5.159 5.266 15.324 1.00 44.01 O ATOM 986 CB ASN A 62 4.685 3.927 18.312 1.00 72.02 C ATOM 987 CG ASN A 62 5.563 5.129 18.624 1.00 14.42 C ATOM 988 OD1 ASN A 62 5.247 6.255 18.253 1.00 40.31 O ATOM 989 ND2 ASN A 62 6.661 4.903 19.308 1.00 73.02 N ATOM 0 H ASN A 62 3.263 2.115 17.355 1.00 1.40 H new ATOM 0 HA ASN A 62 3.295 4.976 17.047 1.00 44.44 H new ATOM 0 HB2 ASN A 62 3.980 3.778 19.130 1.00 72.02 H new ATOM 0 HB3 ASN A 62 5.308 3.034 18.261 1.00 72.02 H new ATOM 0 HD21 ASN A 62 7.282 5.677 19.547 1.00 73.02 H new ATOM 0 HD22 ASN A 62 6.893 3.954 19.601 1.00 73.02 H new ATOM 996 N LEU A 63 5.370 3.022 15.396 1.00 43.55 N ATOM 997 CA LEU A 63 6.352 2.921 14.321 1.00 14.14 C ATOM 998 C LEU A 63 5.784 3.437 13.012 1.00 72.55 C ATOM 999 O LEU A 63 6.410 4.245 12.326 1.00 3.21 O ATOM 1000 CB LEU A 63 6.784 1.464 14.129 1.00 23.15 C ATOM 1001 CG LEU A 63 7.349 0.739 15.352 1.00 23.13 C ATOM 1002 CD1 LEU A 63 7.721 -0.680 14.984 1.00 44.45 C ATOM 1003 CD2 LEU A 63 8.552 1.469 15.916 1.00 70.32 C ATOM 0 H LEU A 63 5.096 2.120 15.786 1.00 43.55 H new ATOM 0 HA LEU A 63 7.211 3.529 14.603 1.00 14.14 H new ATOM 0 HB2 LEU A 63 5.923 0.900 13.769 1.00 23.15 H new ATOM 0 HB3 LEU A 63 7.536 1.435 13.341 1.00 23.15 H new ATOM 0 HG LEU A 63 6.579 0.719 16.123 1.00 23.13 H new ATOM 0 HD11 LEU A 63 8.123 -1.190 15.860 1.00 44.45 H new ATOM 0 HD12 LEU A 63 6.835 -1.208 14.631 1.00 44.45 H new ATOM 0 HD13 LEU A 63 8.474 -0.666 14.196 1.00 44.45 H new ATOM 0 HD21 LEU A 63 8.931 0.930 16.784 1.00 70.32 H new ATOM 0 HD22 LEU A 63 9.331 1.527 15.156 1.00 70.32 H new ATOM 0 HD23 LEU A 63 8.260 2.476 16.214 1.00 70.32 H new ATOM 1015 N ILE A 64 4.585 2.987 12.678 1.00 31.24 N ATOM 1016 CA ILE A 64 3.942 3.365 11.421 1.00 63.11 C ATOM 1017 C ILE A 64 3.605 4.858 11.430 1.00 63.34 C ATOM 1018 O ILE A 64 3.647 5.522 10.409 1.00 42.11 O ATOM 1019 CB ILE A 64 2.640 2.532 11.173 1.00 13.30 C ATOM 1020 CG1 ILE A 64 2.112 2.765 9.748 1.00 11.04 C ATOM 1021 CG2 ILE A 64 1.561 2.895 12.210 1.00 31.52 C ATOM 1022 CD1 ILE A 64 0.906 1.920 9.392 1.00 54.35 C ATOM 0 H ILE A 64 4.032 2.357 13.260 1.00 31.24 H new ATOM 0 HA ILE A 64 4.642 3.154 10.612 1.00 63.11 H new ATOM 0 HB ILE A 64 2.884 1.475 11.282 1.00 13.30 H new ATOM 0 HG12 ILE A 64 1.851 3.817 9.636 1.00 11.04 H new ATOM 0 HG13 ILE A 64 2.911 2.557 9.037 1.00 11.04 H new ATOM 0 HG21 ILE A 64 0.663 2.306 12.022 1.00 31.52 H new ATOM 0 HG22 ILE A 64 1.933 2.680 13.212 1.00 31.52 H new ATOM 0 HG23 ILE A 64 1.323 3.956 12.131 1.00 31.52 H new ATOM 0 HD11 ILE A 64 0.594 2.143 8.372 1.00 54.35 H new ATOM 0 HD12 ILE A 64 1.166 0.864 9.470 1.00 54.35 H new ATOM 0 HD13 ILE A 64 0.089 2.144 10.078 1.00 54.35 H new ATOM 1034 N ARG A 65 3.373 5.366 12.622 1.00 22.34 N ATOM 1035 CA ARG A 65 2.930 6.716 12.861 1.00 42.33 C ATOM 1036 C ARG A 65 4.143 7.678 12.701 1.00 61.23 C ATOM 1037 O ARG A 65 3.999 8.902 12.654 1.00 55.41 O ATOM 1038 CB ARG A 65 2.346 6.724 14.289 1.00 45.34 C ATOM 1039 CG ARG A 65 1.296 7.773 14.644 1.00 54.32 C ATOM 1040 CD ARG A 65 1.807 9.177 14.610 1.00 62.34 C ATOM 1041 NE ARG A 65 0.826 10.114 15.174 1.00 2.43 N ATOM 1042 CZ ARG A 65 0.879 11.447 15.083 1.00 2.35 C ATOM 1043 NH1 ARG A 65 1.801 12.037 14.327 1.00 22.21 N ATOM 1044 NH2 ARG A 65 -0.006 12.186 15.742 1.00 10.21 N ATOM 0 H ARG A 65 3.493 4.827 13.480 1.00 22.34 H new ATOM 0 HA ARG A 65 2.170 7.053 12.156 1.00 42.33 H new ATOM 0 HB2 ARG A 65 1.909 5.743 14.473 1.00 45.34 H new ATOM 0 HB3 ARG A 65 3.177 6.838 14.985 1.00 45.34 H new ATOM 0 HG2 ARG A 65 0.459 7.684 13.951 1.00 54.32 H new ATOM 0 HG3 ARG A 65 0.908 7.562 15.641 1.00 54.32 H new ATOM 0 HD2 ARG A 65 2.739 9.241 15.171 1.00 62.34 H new ATOM 0 HD3 ARG A 65 2.034 9.459 13.582 1.00 62.34 H new ATOM 0 HE ARG A 65 0.036 9.713 15.679 1.00 2.43 H new ATOM 0 HH11 ARG A 65 2.475 11.472 13.811 1.00 22.21 H new ATOM 0 HH12 ARG A 65 1.834 13.055 14.264 1.00 22.21 H new ATOM 0 HH21 ARG A 65 -0.721 11.736 16.314 1.00 10.21 H new ATOM 0 HH22 ARG A 65 0.029 13.203 15.677 1.00 10.21 H new ATOM 1058 N ARG A 66 5.340 7.097 12.593 1.00 53.22 N ATOM 1059 CA ARG A 66 6.563 7.863 12.348 1.00 2.15 C ATOM 1060 C ARG A 66 6.705 8.137 10.863 1.00 42.42 C ATOM 1061 O ARG A 66 7.650 8.779 10.414 1.00 72.05 O ATOM 1062 CB ARG A 66 7.785 7.106 12.833 1.00 23.12 C ATOM 1063 CG ARG A 66 7.816 6.852 14.314 1.00 32.42 C ATOM 1064 CD ARG A 66 9.020 6.039 14.669 1.00 62.43 C ATOM 1065 NE ARG A 66 9.126 5.789 16.100 1.00 50.14 N ATOM 1066 CZ ARG A 66 9.949 4.891 16.629 1.00 71.21 C ATOM 1067 NH1 ARG A 66 10.647 4.080 15.837 1.00 31.42 N ATOM 1068 NH2 ARG A 66 10.056 4.791 17.948 1.00 1.44 N ATOM 0 H ARG A 66 5.488 6.091 12.672 1.00 53.22 H new ATOM 0 HA ARG A 66 6.492 8.802 12.897 1.00 2.15 H new ATOM 0 HB2 ARG A 66 7.834 6.150 12.312 1.00 23.12 H new ATOM 0 HB3 ARG A 66 8.678 7.666 12.555 1.00 23.12 H new ATOM 0 HG2 ARG A 66 7.835 7.799 14.853 1.00 32.42 H new ATOM 0 HG3 ARG A 66 6.910 6.329 14.620 1.00 32.42 H new ATOM 0 HD2 ARG A 66 8.980 5.087 14.140 1.00 62.43 H new ATOM 0 HD3 ARG A 66 9.917 6.556 14.327 1.00 62.43 H new ATOM 0 HE ARG A 66 8.536 6.333 16.730 1.00 50.14 H new ATOM 0 HH11 ARG A 66 10.550 4.148 14.824 1.00 31.42 H new ATOM 0 HH12 ARG A 66 11.279 3.390 16.243 1.00 31.42 H new ATOM 0 HH21 ARG A 66 9.507 5.403 18.552 1.00 1.44 H new ATOM 0 HH22 ARG A 66 10.687 4.102 18.358 1.00 1.44 H new ATOM 1082 N HIS A 67 5.779 7.618 10.112 1.00 12.10 N ATOM 1083 CA HIS A 67 5.716 7.825 8.693 1.00 11.14 C ATOM 1084 C HIS A 67 4.335 8.381 8.456 1.00 61.31 C ATOM 1085 O HIS A 67 3.487 8.276 9.341 1.00 60.34 O ATOM 1086 CB HIS A 67 5.846 6.483 7.923 1.00 61.44 C ATOM 1087 CG HIS A 67 7.049 5.622 8.262 1.00 23.14 C ATOM 1088 ND1 HIS A 67 8.191 5.562 7.495 1.00 2.12 N ATOM 1089 CD2 HIS A 67 7.240 4.733 9.269 1.00 14.25 C ATOM 1090 CE1 HIS A 67 9.023 4.677 8.009 1.00 23.04 C ATOM 1091 NE2 HIS A 67 8.471 4.159 9.086 1.00 1.22 N ATOM 0 H HIS A 67 5.031 7.027 10.475 1.00 12.10 H new ATOM 0 HA HIS A 67 6.520 8.477 8.351 1.00 11.14 H new ATOM 0 HB2 HIS A 67 4.945 5.897 8.104 1.00 61.44 H new ATOM 0 HB3 HIS A 67 5.874 6.703 6.856 1.00 61.44 H new ATOM 0 HD1 HIS A 67 8.367 6.117 6.657 1.00 2.12 H new ATOM 0 HD2 HIS A 67 6.548 4.517 10.069 1.00 14.25 H new ATOM 0 HE1 HIS A 67 9.994 4.420 7.613 1.00 23.04 H new ATOM 1100 N GLU A 68 4.085 8.985 7.335 1.00 12.20 N ATOM 1101 CA GLU A 68 2.736 9.436 7.077 1.00 35.34 C ATOM 1102 C GLU A 68 1.972 8.394 6.297 1.00 20.51 C ATOM 1103 O GLU A 68 1.130 7.710 6.856 1.00 30.34 O ATOM 1104 CB GLU A 68 2.682 10.806 6.413 1.00 55.13 C ATOM 1105 CG GLU A 68 3.294 11.906 7.255 1.00 52.33 C ATOM 1106 CD GLU A 68 3.131 13.255 6.633 1.00 65.32 C ATOM 1107 OE1 GLU A 68 4.045 13.710 5.932 1.00 22.13 O ATOM 1108 OE2 GLU A 68 2.071 13.886 6.838 1.00 1.42 O ATOM 0 H GLU A 68 4.766 9.177 6.600 1.00 12.20 H new ATOM 0 HA GLU A 68 2.248 9.565 8.043 1.00 35.34 H new ATOM 0 HB2 GLU A 68 3.202 10.759 5.456 1.00 55.13 H new ATOM 0 HB3 GLU A 68 1.643 11.057 6.199 1.00 55.13 H new ATOM 0 HG2 GLU A 68 2.831 11.905 8.242 1.00 52.33 H new ATOM 0 HG3 GLU A 68 4.355 11.701 7.400 1.00 52.33 H new ATOM 1115 N ARG A 69 2.296 8.250 5.020 1.00 44.25 N ATOM 1116 CA ARG A 69 1.661 7.261 4.151 1.00 42.34 C ATOM 1117 C ARG A 69 2.280 7.288 2.758 1.00 42.01 C ATOM 1118 O ARG A 69 2.510 6.238 2.156 1.00 40.14 O ATOM 1119 CB ARG A 69 0.121 7.454 4.063 1.00 65.31 C ATOM 1120 CG ARG A 69 -0.314 8.809 3.545 1.00 10.40 C ATOM 1121 CD ARG A 69 -1.817 8.913 3.451 1.00 62.22 C ATOM 1122 NE ARG A 69 -2.249 10.192 2.882 1.00 0.10 N ATOM 1123 CZ ARG A 69 -3.492 10.462 2.467 1.00 72.33 C ATOM 1124 NH1 ARG A 69 -4.426 9.507 2.477 1.00 34.42 N ATOM 1125 NH2 ARG A 69 -3.789 11.674 2.008 1.00 41.51 N ATOM 0 H ARG A 69 3.006 8.814 4.554 1.00 44.25 H new ATOM 0 HA ARG A 69 1.840 6.284 4.600 1.00 42.34 H new ATOM 0 HB2 ARG A 69 -0.293 6.681 3.415 1.00 65.31 H new ATOM 0 HB3 ARG A 69 -0.309 7.303 5.053 1.00 65.31 H new ATOM 0 HG2 ARG A 69 0.065 9.590 4.205 1.00 10.40 H new ATOM 0 HG3 ARG A 69 0.125 8.981 2.562 1.00 10.40 H new ATOM 0 HD2 ARG A 69 -2.198 8.097 2.837 1.00 62.22 H new ATOM 0 HD3 ARG A 69 -2.250 8.794 4.444 1.00 62.22 H new ATOM 0 HE ARG A 69 -1.551 10.931 2.796 1.00 0.10 H new ATOM 0 HH11 ARG A 69 -4.193 8.569 2.802 1.00 34.42 H new ATOM 0 HH12 ARG A 69 -5.373 9.716 2.160 1.00 34.42 H new ATOM 0 HH21 ARG A 69 -3.070 12.396 1.973 1.00 41.51 H new ATOM 0 HH22 ARG A 69 -4.736 11.881 1.691 1.00 41.51 H new ATOM 1139 N ASP A 70 2.583 8.490 2.266 1.00 34.14 N ATOM 1140 CA ASP A 70 3.120 8.669 0.909 1.00 63.21 C ATOM 1141 C ASP A 70 4.471 7.984 0.743 1.00 22.32 C ATOM 1142 O ASP A 70 4.680 7.264 -0.223 1.00 0.33 O ATOM 1143 CB ASP A 70 3.192 10.171 0.517 1.00 25.32 C ATOM 1144 CG ASP A 70 4.115 11.002 1.393 1.00 63.45 C ATOM 1145 OD1 ASP A 70 5.185 11.434 0.912 1.00 71.32 O ATOM 1146 OD2 ASP A 70 3.785 11.222 2.586 1.00 24.35 O ATOM 0 H ASP A 70 2.466 9.359 2.786 1.00 34.14 H new ATOM 0 HA ASP A 70 2.426 8.185 0.222 1.00 63.21 H new ATOM 0 HB2 ASP A 70 3.525 10.249 -0.518 1.00 25.32 H new ATOM 0 HB3 ASP A 70 2.189 10.595 0.562 1.00 25.32 H new ATOM 1151 N GLU A 71 5.348 8.166 1.721 1.00 31.11 N ATOM 1152 CA GLU A 71 6.688 7.575 1.723 1.00 21.44 C ATOM 1153 C GLU A 71 6.606 6.063 1.571 1.00 1.22 C ATOM 1154 O GLU A 71 7.329 5.457 0.767 1.00 64.01 O ATOM 1155 CB GLU A 71 7.390 7.922 3.036 1.00 73.41 C ATOM 1156 CG GLU A 71 8.783 7.357 3.182 1.00 13.43 C ATOM 1157 CD GLU A 71 9.379 7.658 4.526 1.00 32.25 C ATOM 1158 OE1 GLU A 71 9.097 6.925 5.486 1.00 61.34 O ATOM 1159 OE2 GLU A 71 10.138 8.637 4.648 1.00 1.42 O ATOM 0 H GLU A 71 5.151 8.733 2.546 1.00 31.11 H new ATOM 0 HA GLU A 71 7.253 7.978 0.883 1.00 21.44 H new ATOM 0 HB2 GLU A 71 7.443 9.007 3.127 1.00 73.41 H new ATOM 0 HB3 GLU A 71 6.779 7.562 3.864 1.00 73.41 H new ATOM 0 HG2 GLU A 71 8.753 6.278 3.033 1.00 13.43 H new ATOM 0 HG3 GLU A 71 9.424 7.768 2.402 1.00 13.43 H new ATOM 1166 N ILE A 72 5.713 5.477 2.330 1.00 42.22 N ATOM 1167 CA ILE A 72 5.514 4.055 2.344 1.00 3.32 C ATOM 1168 C ILE A 72 4.950 3.589 1.011 1.00 51.51 C ATOM 1169 O ILE A 72 5.484 2.679 0.393 1.00 62.20 O ATOM 1170 CB ILE A 72 4.533 3.648 3.479 1.00 44.32 C ATOM 1171 CG1 ILE A 72 5.063 4.105 4.849 1.00 40.44 C ATOM 1172 CG2 ILE A 72 4.280 2.138 3.472 1.00 32.15 C ATOM 1173 CD1 ILE A 72 4.136 3.784 6.010 1.00 43.44 C ATOM 0 H ILE A 72 5.096 5.985 2.964 1.00 42.22 H new ATOM 0 HA ILE A 72 6.481 3.583 2.519 1.00 3.32 H new ATOM 0 HB ILE A 72 3.582 4.149 3.296 1.00 44.32 H new ATOM 0 HG12 ILE A 72 6.029 3.634 5.028 1.00 40.44 H new ATOM 0 HG13 ILE A 72 5.233 5.181 4.820 1.00 40.44 H new ATOM 0 HG21 ILE A 72 3.590 1.881 4.276 1.00 32.15 H new ATOM 0 HG22 ILE A 72 3.847 1.846 2.515 1.00 32.15 H new ATOM 0 HG23 ILE A 72 5.222 1.611 3.620 1.00 32.15 H new ATOM 0 HD11 ILE A 72 4.581 4.138 6.940 1.00 43.44 H new ATOM 0 HD12 ILE A 72 3.176 4.277 5.856 1.00 43.44 H new ATOM 0 HD13 ILE A 72 3.985 2.706 6.068 1.00 43.44 H new ATOM 1185 N MET A 73 3.897 4.260 0.562 1.00 70.04 N ATOM 1186 CA MET A 73 3.163 3.859 -0.632 1.00 53.32 C ATOM 1187 C MET A 73 4.061 3.944 -1.878 1.00 34.52 C ATOM 1188 O MET A 73 4.048 3.037 -2.722 1.00 3.51 O ATOM 1189 CB MET A 73 1.892 4.718 -0.781 1.00 32.44 C ATOM 1190 CG MET A 73 0.805 4.150 -1.707 1.00 44.05 C ATOM 1191 SD MET A 73 1.291 3.980 -3.426 1.00 62.24 S ATOM 1192 CE MET A 73 -0.204 3.326 -4.118 1.00 54.41 C ATOM 0 H MET A 73 3.528 5.096 1.014 1.00 70.04 H new ATOM 0 HA MET A 73 2.855 2.818 -0.529 1.00 53.32 H new ATOM 0 HB2 MET A 73 1.459 4.866 0.208 1.00 32.44 H new ATOM 0 HB3 MET A 73 2.182 5.701 -1.153 1.00 32.44 H new ATOM 0 HG2 MET A 73 0.503 3.172 -1.332 1.00 44.05 H new ATOM 0 HG3 MET A 73 -0.071 4.796 -1.654 1.00 44.05 H new ATOM 0 HE1 MET A 73 -0.250 3.569 -5.180 1.00 54.41 H new ATOM 0 HE2 MET A 73 -0.220 2.243 -3.992 1.00 54.41 H new ATOM 0 HE3 MET A 73 -1.063 3.763 -3.608 1.00 54.41 H new ATOM 1202 N GLU A 74 4.858 5.010 -1.979 1.00 73.42 N ATOM 1203 CA GLU A 74 5.774 5.158 -3.106 1.00 51.20 C ATOM 1204 C GLU A 74 6.745 3.987 -3.160 1.00 11.14 C ATOM 1205 O GLU A 74 6.975 3.411 -4.219 1.00 13.32 O ATOM 1206 CB GLU A 74 6.557 6.473 -3.046 1.00 74.13 C ATOM 1207 CG GLU A 74 5.709 7.726 -3.131 1.00 74.52 C ATOM 1208 CD GLU A 74 6.550 8.977 -3.140 1.00 24.20 C ATOM 1209 OE1 GLU A 74 6.659 9.629 -4.197 1.00 1.13 O ATOM 1210 OE2 GLU A 74 7.151 9.308 -2.093 1.00 11.32 O ATOM 0 H GLU A 74 4.887 5.773 -1.302 1.00 73.42 H new ATOM 0 HA GLU A 74 5.166 5.172 -4.010 1.00 51.20 H new ATOM 0 HB2 GLU A 74 7.125 6.499 -2.116 1.00 74.13 H new ATOM 0 HB3 GLU A 74 7.280 6.486 -3.861 1.00 74.13 H new ATOM 0 HG2 GLU A 74 5.101 7.692 -4.035 1.00 74.52 H new ATOM 0 HG3 GLU A 74 5.022 7.757 -2.285 1.00 74.52 H new ATOM 1217 N GLU A 75 7.276 3.619 -2.005 1.00 22.24 N ATOM 1218 CA GLU A 75 8.220 2.523 -1.921 1.00 62.30 C ATOM 1219 C GLU A 75 7.516 1.196 -2.222 1.00 33.33 C ATOM 1220 O GLU A 75 8.101 0.310 -2.850 1.00 33.42 O ATOM 1221 CB GLU A 75 8.874 2.489 -0.545 1.00 52.01 C ATOM 1222 CG GLU A 75 9.995 1.463 -0.393 1.00 53.31 C ATOM 1223 CD GLU A 75 11.132 1.684 -1.378 1.00 34.51 C ATOM 1224 OE1 GLU A 75 11.326 0.850 -2.282 1.00 64.14 O ATOM 1225 OE2 GLU A 75 11.852 2.706 -1.252 1.00 1.10 O ATOM 0 H GLU A 75 7.067 4.066 -1.112 1.00 22.24 H new ATOM 0 HA GLU A 75 9.002 2.674 -2.665 1.00 62.30 H new ATOM 0 HB2 GLU A 75 9.274 3.479 -0.324 1.00 52.01 H new ATOM 0 HB3 GLU A 75 8.107 2.281 0.201 1.00 52.01 H new ATOM 0 HG2 GLU A 75 10.387 1.507 0.623 1.00 53.31 H new ATOM 0 HG3 GLU A 75 9.587 0.462 -0.534 1.00 53.31 H new ATOM 1232 N LEU A 76 6.252 1.076 -1.780 1.00 33.41 N ATOM 1233 CA LEU A 76 5.449 -0.111 -2.070 1.00 15.10 C ATOM 1234 C LEU A 76 5.355 -0.290 -3.567 1.00 21.25 C ATOM 1235 O LEU A 76 5.623 -1.365 -4.083 1.00 43.03 O ATOM 1236 CB LEU A 76 4.016 -0.009 -1.492 1.00 32.04 C ATOM 1237 CG LEU A 76 3.860 0.156 0.024 1.00 62.23 C ATOM 1238 CD1 LEU A 76 2.388 0.217 0.400 1.00 53.33 C ATOM 1239 CD2 LEU A 76 4.545 -0.967 0.774 1.00 62.44 C ATOM 0 H LEU A 76 5.772 1.785 -1.225 1.00 33.41 H new ATOM 0 HA LEU A 76 5.941 -0.962 -1.600 1.00 15.10 H new ATOM 0 HB2 LEU A 76 3.522 0.836 -1.972 1.00 32.04 H new ATOM 0 HB3 LEU A 76 3.472 -0.906 -1.788 1.00 32.04 H new ATOM 0 HG LEU A 76 4.339 1.093 0.309 1.00 62.23 H new ATOM 0 HD11 LEU A 76 2.293 0.334 1.479 1.00 53.33 H new ATOM 0 HD12 LEU A 76 1.920 1.065 -0.100 1.00 53.33 H new ATOM 0 HD13 LEU A 76 1.895 -0.704 0.090 1.00 53.33 H new ATOM 0 HD21 LEU A 76 4.416 -0.820 1.846 1.00 62.44 H new ATOM 0 HD22 LEU A 76 4.105 -1.921 0.483 1.00 62.44 H new ATOM 0 HD23 LEU A 76 5.608 -0.970 0.534 1.00 62.44 H new ATOM 1251 N THR A 77 5.006 0.791 -4.258 1.00 20.13 N ATOM 1252 CA THR A 77 4.869 0.770 -5.697 1.00 43.02 C ATOM 1253 C THR A 77 6.233 0.473 -6.385 1.00 44.41 C ATOM 1254 O THR A 77 6.308 -0.335 -7.326 1.00 15.54 O ATOM 1255 CB THR A 77 4.290 2.116 -6.183 1.00 74.44 C ATOM 1256 OG1 THR A 77 3.051 2.363 -5.497 1.00 20.24 O ATOM 1257 CG2 THR A 77 4.021 2.085 -7.679 1.00 13.35 C ATOM 0 H THR A 77 4.813 1.698 -3.832 1.00 20.13 H new ATOM 0 HA THR A 77 4.183 -0.031 -5.972 1.00 43.02 H new ATOM 0 HB THR A 77 5.015 2.903 -5.973 1.00 74.44 H new ATOM 0 HG1 THR A 77 3.237 2.734 -4.609 1.00 20.24 H new ATOM 0 HG21 THR A 77 3.614 3.045 -7.995 1.00 13.35 H new ATOM 0 HG22 THR A 77 4.952 1.892 -8.212 1.00 13.35 H new ATOM 0 HG23 THR A 77 3.304 1.295 -7.904 1.00 13.35 H new ATOM 1265 N LYS A 78 7.299 1.103 -5.888 1.00 11.22 N ATOM 1266 CA LYS A 78 8.643 0.917 -6.438 1.00 44.31 C ATOM 1267 C LYS A 78 9.136 -0.501 -6.294 1.00 63.43 C ATOM 1268 O LYS A 78 9.513 -1.129 -7.270 1.00 15.12 O ATOM 1269 CB LYS A 78 9.646 1.883 -5.803 1.00 4.14 C ATOM 1270 CG LYS A 78 9.422 3.320 -6.199 1.00 44.10 C ATOM 1271 CD LYS A 78 10.357 4.289 -5.493 1.00 52.34 C ATOM 1272 CE LYS A 78 11.821 3.999 -5.790 1.00 3.13 C ATOM 1273 NZ LYS A 78 12.716 4.929 -5.079 1.00 23.40 N ATOM 0 H LYS A 78 7.257 1.750 -5.101 1.00 11.22 H new ATOM 0 HA LYS A 78 8.566 1.136 -7.503 1.00 44.31 H new ATOM 0 HB2 LYS A 78 9.584 1.798 -4.718 1.00 4.14 H new ATOM 0 HB3 LYS A 78 10.655 1.588 -6.089 1.00 4.14 H new ATOM 0 HG2 LYS A 78 9.554 3.418 -7.277 1.00 44.10 H new ATOM 0 HG3 LYS A 78 8.391 3.594 -5.978 1.00 44.10 H new ATOM 0 HD2 LYS A 78 10.121 5.308 -5.801 1.00 52.34 H new ATOM 0 HD3 LYS A 78 10.189 4.234 -4.417 1.00 52.34 H new ATOM 0 HE2 LYS A 78 12.055 2.975 -5.500 1.00 3.13 H new ATOM 0 HE3 LYS A 78 11.996 4.074 -6.863 1.00 3.13 H new ATOM 0 HZ1 LYS A 78 13.705 4.701 -5.306 1.00 23.40 H new ATOM 0 HZ2 LYS A 78 12.509 5.904 -5.375 1.00 23.40 H new ATOM 0 HZ3 LYS A 78 12.566 4.839 -4.054 1.00 23.40 H new ATOM 1287 N TYR A 79 9.112 -1.002 -5.089 1.00 12.31 N ATOM 1288 CA TYR A 79 9.631 -2.327 -4.804 1.00 22.20 C ATOM 1289 C TYR A 79 8.772 -3.413 -5.471 1.00 75.10 C ATOM 1290 O TYR A 79 9.283 -4.473 -5.863 1.00 42.14 O ATOM 1291 CB TYR A 79 9.759 -2.534 -3.297 1.00 63.32 C ATOM 1292 CG TYR A 79 10.487 -3.794 -2.888 1.00 34.30 C ATOM 1293 CD1 TYR A 79 11.853 -3.912 -3.092 1.00 65.23 C ATOM 1294 CD2 TYR A 79 9.818 -4.857 -2.295 1.00 22.33 C ATOM 1295 CE1 TYR A 79 12.533 -5.048 -2.720 1.00 21.53 C ATOM 1296 CE2 TYR A 79 10.495 -5.998 -1.916 1.00 13.41 C ATOM 1297 CZ TYR A 79 11.853 -6.086 -2.132 1.00 54.21 C ATOM 1298 OH TYR A 79 12.534 -7.217 -1.758 1.00 74.21 O ATOM 0 H TYR A 79 8.736 -0.513 -4.277 1.00 12.31 H new ATOM 0 HA TYR A 79 10.630 -2.412 -5.232 1.00 22.20 H new ATOM 0 HB2 TYR A 79 10.279 -1.676 -2.870 1.00 63.32 H new ATOM 0 HB3 TYR A 79 8.760 -2.551 -2.861 1.00 63.32 H new ATOM 0 HD1 TYR A 79 12.393 -3.097 -3.551 1.00 65.23 H new ATOM 0 HD2 TYR A 79 8.753 -4.790 -2.128 1.00 22.33 H new ATOM 0 HE1 TYR A 79 13.597 -5.123 -2.890 1.00 21.53 H new ATOM 0 HE2 TYR A 79 9.964 -6.817 -1.453 1.00 13.41 H new ATOM 0 HH TYR A 79 11.977 -7.748 -1.151 1.00 74.21 H new ATOM 1308 N TYR A 80 7.479 -3.144 -5.594 1.00 35.50 N ATOM 1309 CA TYR A 80 6.549 -4.041 -6.273 1.00 33.12 C ATOM 1310 C TYR A 80 7.016 -4.251 -7.720 1.00 60.02 C ATOM 1311 O TYR A 80 7.245 -5.380 -8.159 1.00 42.23 O ATOM 1312 CB TYR A 80 5.146 -3.406 -6.249 1.00 11.21 C ATOM 1313 CG TYR A 80 4.020 -4.234 -6.832 1.00 31.23 C ATOM 1314 CD1 TYR A 80 3.388 -5.195 -6.071 1.00 4.24 C ATOM 1315 CD2 TYR A 80 3.577 -4.032 -8.131 1.00 44.42 C ATOM 1316 CE1 TYR A 80 2.346 -5.944 -6.580 1.00 71.43 C ATOM 1317 CE2 TYR A 80 2.532 -4.774 -8.646 1.00 2.50 C ATOM 1318 CZ TYR A 80 1.920 -5.733 -7.864 1.00 65.52 C ATOM 1319 OH TYR A 80 0.871 -6.480 -8.367 1.00 33.11 O ATOM 0 H TYR A 80 7.044 -2.298 -5.226 1.00 35.50 H new ATOM 0 HA TYR A 80 6.516 -5.008 -5.771 1.00 33.12 H new ATOM 0 HB2 TYR A 80 4.896 -3.170 -5.215 1.00 11.21 H new ATOM 0 HB3 TYR A 80 5.190 -2.461 -6.790 1.00 11.21 H new ATOM 0 HD1 TYR A 80 3.715 -5.365 -5.056 1.00 4.24 H new ATOM 0 HD2 TYR A 80 4.055 -3.285 -8.747 1.00 44.42 H new ATOM 0 HE1 TYR A 80 1.868 -6.694 -5.967 1.00 71.43 H new ATOM 0 HE2 TYR A 80 2.195 -4.604 -9.658 1.00 2.50 H new ATOM 0 HH TYR A 80 0.022 -6.109 -8.047 1.00 33.11 H new ATOM 1329 N LEU A 81 7.202 -3.148 -8.428 1.00 43.44 N ATOM 1330 CA LEU A 81 7.643 -3.177 -9.815 1.00 70.13 C ATOM 1331 C LEU A 81 9.120 -3.561 -9.949 1.00 15.42 C ATOM 1332 O LEU A 81 9.546 -4.078 -10.985 1.00 41.40 O ATOM 1333 CB LEU A 81 7.347 -1.846 -10.505 1.00 71.14 C ATOM 1334 CG LEU A 81 5.864 -1.480 -10.651 1.00 2.22 C ATOM 1335 CD1 LEU A 81 5.709 -0.110 -11.288 1.00 44.35 C ATOM 1336 CD2 LEU A 81 5.131 -2.532 -11.478 1.00 25.43 C ATOM 0 H LEU A 81 7.052 -2.209 -8.059 1.00 43.44 H new ATOM 0 HA LEU A 81 7.073 -3.957 -10.319 1.00 70.13 H new ATOM 0 HB2 LEU A 81 7.844 -1.052 -9.947 1.00 71.14 H new ATOM 0 HB3 LEU A 81 7.795 -1.867 -11.498 1.00 71.14 H new ATOM 0 HG LEU A 81 5.422 -1.450 -9.655 1.00 2.22 H new ATOM 0 HD11 LEU A 81 4.650 0.130 -11.382 1.00 44.35 H new ATOM 0 HD12 LEU A 81 6.196 0.639 -10.664 1.00 44.35 H new ATOM 0 HD13 LEU A 81 6.169 -0.114 -12.276 1.00 44.35 H new ATOM 0 HD21 LEU A 81 4.081 -2.255 -11.571 1.00 25.43 H new ATOM 0 HD22 LEU A 81 5.579 -2.592 -12.470 1.00 25.43 H new ATOM 0 HD23 LEU A 81 5.209 -3.501 -10.985 1.00 25.43 H new ATOM 1348 N ALA A 82 9.895 -3.320 -8.905 1.00 55.12 N ATOM 1349 CA ALA A 82 11.307 -3.682 -8.896 1.00 44.15 C ATOM 1350 C ALA A 82 11.471 -5.185 -9.041 1.00 14.52 C ATOM 1351 O ALA A 82 12.340 -5.658 -9.765 1.00 75.00 O ATOM 1352 CB ALA A 82 11.980 -3.198 -7.630 1.00 32.14 C ATOM 0 H ALA A 82 9.570 -2.873 -8.048 1.00 55.12 H new ATOM 0 HA ALA A 82 11.787 -3.195 -9.745 1.00 44.15 H new ATOM 0 HB1 ALA A 82 13.033 -3.480 -7.647 1.00 32.14 H new ATOM 0 HB2 ALA A 82 11.896 -2.113 -7.565 1.00 32.14 H new ATOM 0 HB3 ALA A 82 11.497 -3.652 -6.765 1.00 32.14 H new ATOM 1358 N ASN A 83 10.580 -5.935 -8.396 1.00 12.10 N ATOM 1359 CA ASN A 83 10.620 -7.405 -8.448 1.00 2.53 C ATOM 1360 C ASN A 83 10.091 -7.955 -9.764 1.00 41.14 C ATOM 1361 O ASN A 83 10.014 -9.169 -9.963 1.00 72.55 O ATOM 1362 CB ASN A 83 9.913 -8.050 -7.249 1.00 42.20 C ATOM 1363 CG ASN A 83 10.699 -7.916 -5.955 1.00 70.42 C ATOM 1364 OD1 ASN A 83 11.506 -8.774 -5.618 1.00 51.40 O ATOM 1365 ND2 ASN A 83 10.485 -6.853 -5.227 1.00 22.41 N ATOM 0 H ASN A 83 9.821 -5.555 -7.831 1.00 12.10 H new ATOM 0 HA ASN A 83 11.673 -7.679 -8.387 1.00 2.53 H new ATOM 0 HB2 ASN A 83 8.933 -7.591 -7.122 1.00 42.20 H new ATOM 0 HB3 ASN A 83 9.745 -9.106 -7.458 1.00 42.20 H new ATOM 0 HD21 ASN A 83 10.996 -6.722 -4.354 1.00 22.41 H new ATOM 0 HD22 ASN A 83 9.807 -6.154 -5.532 1.00 22.41 H new ATOM 1372 N HIS A 84 9.724 -7.061 -10.659 1.00 51.43 N ATOM 1373 CA HIS A 84 9.346 -7.436 -12.009 1.00 2.23 C ATOM 1374 C HIS A 84 10.635 -7.506 -12.832 1.00 64.30 C ATOM 1375 O HIS A 84 10.683 -8.121 -13.890 1.00 43.42 O ATOM 1376 CB HIS A 84 8.394 -6.366 -12.611 1.00 34.45 C ATOM 1377 CG HIS A 84 7.852 -6.663 -13.999 1.00 13.41 C ATOM 1378 ND1 HIS A 84 8.638 -6.743 -15.131 1.00 24.32 N ATOM 1379 CD2 HIS A 84 6.591 -6.893 -14.419 1.00 44.23 C ATOM 1380 CE1 HIS A 84 7.892 -7.010 -16.168 1.00 50.42 C ATOM 1381 NE2 HIS A 84 6.648 -7.105 -15.765 1.00 62.03 N ATOM 0 H HIS A 84 9.679 -6.059 -10.474 1.00 51.43 H new ATOM 0 HA HIS A 84 8.826 -8.394 -12.015 1.00 2.23 H new ATOM 0 HB2 HIS A 84 7.550 -6.236 -11.933 1.00 34.45 H new ATOM 0 HB3 HIS A 84 8.924 -5.414 -12.646 1.00 34.45 H new ATOM 0 HD1 HIS A 84 9.649 -6.613 -15.154 1.00 24.32 H new ATOM 0 HD2 HIS A 84 5.703 -6.907 -13.805 1.00 44.23 H new ATOM 0 HE1 HIS A 84 8.240 -7.132 -17.183 1.00 50.42 H new ATOM 0 HE2 HIS A 84 5.848 -7.306 -16.365 1.00 62.03 H new ATOM 1390 N GLY A 85 11.678 -6.892 -12.310 1.00 43.21 N ATOM 1391 CA GLY A 85 12.917 -6.791 -13.029 1.00 64.23 C ATOM 1392 C GLY A 85 13.032 -5.438 -13.684 1.00 53.23 C ATOM 1393 O GLY A 85 13.792 -5.251 -14.642 1.00 45.42 O ATOM 0 H GLY A 85 11.685 -6.457 -11.388 1.00 43.21 H new ATOM 0 HA2 GLY A 85 13.754 -6.946 -12.348 1.00 64.23 H new ATOM 0 HA3 GLY A 85 12.972 -7.575 -13.785 1.00 64.23 H new ATOM 1397 N ILE A 86 12.268 -4.495 -13.171 1.00 32.12 N ATOM 1398 CA ILE A 86 12.243 -3.147 -13.691 1.00 40.20 C ATOM 1399 C ILE A 86 13.095 -2.254 -12.811 1.00 53.24 C ATOM 1400 O ILE A 86 13.059 -2.370 -11.581 1.00 33.21 O ATOM 1401 CB ILE A 86 10.783 -2.587 -13.743 1.00 33.42 C ATOM 1402 CG1 ILE A 86 9.915 -3.436 -14.682 1.00 30.24 C ATOM 1403 CG2 ILE A 86 10.764 -1.124 -14.173 1.00 14.41 C ATOM 1404 CD1 ILE A 86 8.470 -2.974 -14.779 1.00 22.33 C ATOM 0 H ILE A 86 11.645 -4.645 -12.378 1.00 32.12 H new ATOM 0 HA ILE A 86 12.639 -3.163 -14.706 1.00 40.20 H new ATOM 0 HB ILE A 86 10.368 -2.643 -12.737 1.00 33.42 H new ATOM 0 HG12 ILE A 86 10.357 -3.423 -15.678 1.00 30.24 H new ATOM 0 HG13 ILE A 86 9.932 -4.470 -14.339 1.00 30.24 H new ATOM 0 HG21 ILE A 86 9.735 -0.766 -14.199 1.00 14.41 H new ATOM 0 HG22 ILE A 86 11.338 -0.529 -13.463 1.00 14.41 H new ATOM 0 HG23 ILE A 86 11.206 -1.031 -15.165 1.00 14.41 H new ATOM 0 HD11 ILE A 86 7.925 -3.626 -15.462 1.00 22.33 H new ATOM 0 HD12 ILE A 86 8.008 -3.014 -13.792 1.00 22.33 H new ATOM 0 HD13 ILE A 86 8.440 -1.951 -15.153 1.00 22.33 H new ATOM 1416 N ASP A 87 13.874 -1.401 -13.424 1.00 53.31 N ATOM 1417 CA ASP A 87 14.682 -0.460 -12.678 1.00 31.22 C ATOM 1418 C ASP A 87 14.038 0.880 -12.719 1.00 72.32 C ATOM 1419 O ASP A 87 13.882 1.471 -13.796 1.00 21.42 O ATOM 1420 CB ASP A 87 16.107 -0.370 -13.216 1.00 0.20 C ATOM 1421 CG ASP A 87 16.880 -1.640 -13.030 1.00 62.12 C ATOM 1422 OD1 ASP A 87 16.822 -2.518 -13.913 1.00 31.13 O ATOM 1423 OD2 ASP A 87 17.565 -1.779 -11.993 1.00 33.44 O ATOM 0 H ASP A 87 13.969 -1.335 -14.437 1.00 53.31 H new ATOM 0 HA ASP A 87 14.748 -0.816 -11.650 1.00 31.22 H new ATOM 0 HB2 ASP A 87 16.075 -0.122 -14.277 1.00 0.20 H new ATOM 0 HB3 ASP A 87 16.629 0.444 -12.714 1.00 0.20 H new ATOM 1428 N ILE A 88 13.690 1.376 -11.575 1.00 11.45 N ATOM 1429 CA ILE A 88 12.993 2.621 -11.472 1.00 33.21 C ATOM 1430 C ILE A 88 13.936 3.677 -10.953 1.00 34.53 C ATOM 1431 O ILE A 88 14.649 3.457 -9.972 1.00 33.52 O ATOM 1432 CB ILE A 88 11.806 2.493 -10.493 1.00 1.34 C ATOM 1433 CG1 ILE A 88 10.939 1.289 -10.876 1.00 60.42 C ATOM 1434 CG2 ILE A 88 10.970 3.783 -10.482 1.00 0.33 C ATOM 1435 CD1 ILE A 88 9.772 1.052 -9.959 1.00 44.33 C ATOM 0 H ILE A 88 13.882 0.927 -10.679 1.00 11.45 H new ATOM 0 HA ILE A 88 12.619 2.896 -12.458 1.00 33.21 H new ATOM 0 HB ILE A 88 12.197 2.337 -9.488 1.00 1.34 H new ATOM 0 HG12 ILE A 88 10.566 1.432 -11.890 1.00 60.42 H new ATOM 0 HG13 ILE A 88 11.563 0.396 -10.889 1.00 60.42 H new ATOM 0 HG21 ILE A 88 10.139 3.672 -9.786 1.00 0.33 H new ATOM 0 HG22 ILE A 88 11.595 4.619 -10.170 1.00 0.33 H new ATOM 0 HG23 ILE A 88 10.582 3.974 -11.483 1.00 0.33 H new ATOM 0 HD11 ILE A 88 9.211 0.182 -10.301 1.00 44.33 H new ATOM 0 HD12 ILE A 88 10.135 0.875 -8.947 1.00 44.33 H new ATOM 0 HD13 ILE A 88 9.122 1.927 -9.963 1.00 44.33 H new ATOM 1767 N ALA B 19 -1.916 -10.120 -12.009 1.00 1.05 N ATOM 1768 CA ALA B 19 -2.434 -9.325 -13.117 1.00 25.54 C ATOM 1769 C ALA B 19 -2.291 -7.868 -12.822 1.00 40.11 C ATOM 1770 O ALA B 19 -2.117 -7.047 -13.722 1.00 23.51 O ATOM 1771 CB ALA B 19 -3.879 -9.649 -13.339 1.00 1.55 C ATOM 0 HA ALA B 19 -1.863 -9.563 -14.015 1.00 25.54 H new ATOM 0 HB1 ALA B 19 -4.262 -9.053 -14.167 1.00 1.55 H new ATOM 0 HB2 ALA B 19 -3.982 -10.708 -13.575 1.00 1.55 H new ATOM 0 HB3 ALA B 19 -4.446 -9.422 -12.436 1.00 1.55 H new ATOM 1777 N ILE B 20 -2.370 -7.542 -11.556 1.00 15.52 N ATOM 1778 CA ILE B 20 -2.168 -6.191 -11.094 1.00 21.53 C ATOM 1779 C ILE B 20 -0.751 -5.740 -11.452 1.00 30.32 C ATOM 1780 O ILE B 20 -0.525 -4.591 -11.809 1.00 45.22 O ATOM 1781 CB ILE B 20 -2.435 -6.093 -9.568 1.00 2.22 C ATOM 1782 CG1 ILE B 20 -3.903 -6.443 -9.294 1.00 12.22 C ATOM 1783 CG2 ILE B 20 -2.104 -4.704 -9.033 1.00 22.20 C ATOM 1784 CD1 ILE B 20 -4.282 -6.495 -7.835 1.00 63.05 C ATOM 0 H ILE B 20 -2.577 -8.209 -10.813 1.00 15.52 H new ATOM 0 HA ILE B 20 -2.875 -5.524 -11.588 1.00 21.53 H new ATOM 0 HB ILE B 20 -1.787 -6.800 -9.050 1.00 2.22 H new ATOM 0 HG12 ILE B 20 -4.536 -5.709 -9.793 1.00 12.22 H new ATOM 0 HG13 ILE B 20 -4.121 -7.411 -9.746 1.00 12.22 H new ATOM 0 HG21 ILE B 20 -2.302 -4.670 -7.962 1.00 22.20 H new ATOM 0 HG22 ILE B 20 -1.052 -4.486 -9.214 1.00 22.20 H new ATOM 0 HG23 ILE B 20 -2.721 -3.962 -9.540 1.00 22.20 H new ATOM 0 HD11 ILE B 20 -5.338 -6.750 -7.742 1.00 63.05 H new ATOM 0 HD12 ILE B 20 -3.681 -7.251 -7.330 1.00 63.05 H new ATOM 0 HD13 ILE B 20 -4.102 -5.522 -7.377 1.00 63.05 H new ATOM 1796 N SER B 21 0.169 -6.685 -11.446 1.00 73.12 N ATOM 1797 CA SER B 21 1.553 -6.399 -11.771 1.00 51.42 C ATOM 1798 C SER B 21 1.668 -6.115 -13.259 1.00 30.33 C ATOM 1799 O SER B 21 2.380 -5.206 -13.673 1.00 41.15 O ATOM 1800 CB SER B 21 2.476 -7.554 -11.336 1.00 0.55 C ATOM 1801 OG SER B 21 3.841 -7.291 -11.631 1.00 5.21 O ATOM 0 H SER B 21 -0.018 -7.662 -11.219 1.00 73.12 H new ATOM 0 HA SER B 21 1.878 -5.516 -11.221 1.00 51.42 H new ATOM 0 HB2 SER B 21 2.364 -7.723 -10.265 1.00 0.55 H new ATOM 0 HB3 SER B 21 2.168 -8.471 -11.837 1.00 0.55 H new ATOM 0 HG SER B 21 4.391 -8.047 -11.338 1.00 5.21 H new ATOM 1807 N GLU B 22 0.920 -6.868 -14.054 1.00 65.40 N ATOM 1808 CA GLU B 22 0.890 -6.664 -15.490 1.00 41.11 C ATOM 1809 C GLU B 22 0.200 -5.335 -15.815 1.00 54.05 C ATOM 1810 O GLU B 22 0.570 -4.645 -16.755 1.00 24.12 O ATOM 1811 CB GLU B 22 0.183 -7.829 -16.187 1.00 22.05 C ATOM 1812 CG GLU B 22 0.846 -9.180 -15.946 1.00 41.24 C ATOM 1813 CD GLU B 22 0.152 -10.309 -16.661 1.00 53.40 C ATOM 1814 OE1 GLU B 22 0.503 -10.590 -17.833 1.00 10.34 O ATOM 1815 OE2 GLU B 22 -0.745 -10.935 -16.069 1.00 70.15 O ATOM 0 H GLU B 22 0.325 -7.628 -13.724 1.00 65.40 H new ATOM 0 HA GLU B 22 1.914 -6.624 -15.860 1.00 41.11 H new ATOM 0 HB2 GLU B 22 -0.850 -7.874 -15.842 1.00 22.05 H new ATOM 0 HB3 GLU B 22 0.153 -7.635 -17.259 1.00 22.05 H new ATOM 0 HG2 GLU B 22 1.885 -9.133 -16.274 1.00 41.24 H new ATOM 0 HG3 GLU B 22 0.858 -9.387 -14.876 1.00 41.24 H new ATOM 1822 N THR B 23 -0.779 -4.980 -15.003 1.00 22.54 N ATOM 1823 CA THR B 23 -1.497 -3.735 -15.166 1.00 21.21 C ATOM 1824 C THR B 23 -0.562 -2.541 -14.871 1.00 25.11 C ATOM 1825 O THR B 23 -0.428 -1.626 -15.690 1.00 41.13 O ATOM 1826 CB THR B 23 -2.746 -3.693 -14.243 1.00 23.32 C ATOM 1827 OG1 THR B 23 -3.582 -4.839 -14.516 1.00 22.55 O ATOM 1828 CG2 THR B 23 -3.558 -2.420 -14.480 1.00 12.34 C ATOM 0 H THR B 23 -1.096 -5.546 -14.216 1.00 22.54 H new ATOM 0 HA THR B 23 -1.839 -3.665 -16.198 1.00 21.21 H new ATOM 0 HB THR B 23 -2.408 -3.707 -13.207 1.00 23.32 H new ATOM 0 HG1 THR B 23 -3.117 -5.656 -14.240 1.00 22.55 H new ATOM 0 HG21 THR B 23 -4.427 -2.415 -13.822 1.00 12.34 H new ATOM 0 HG22 THR B 23 -2.938 -1.549 -14.269 1.00 12.34 H new ATOM 0 HG23 THR B 23 -3.889 -2.388 -15.518 1.00 12.34 H new ATOM 1836 N LEU B 24 0.110 -2.573 -13.717 1.00 44.54 N ATOM 1837 CA LEU B 24 1.053 -1.514 -13.354 1.00 35.12 C ATOM 1838 C LEU B 24 2.259 -1.481 -14.271 1.00 21.24 C ATOM 1839 O LEU B 24 2.840 -0.426 -14.481 1.00 20.33 O ATOM 1840 CB LEU B 24 1.460 -1.531 -11.866 1.00 2.33 C ATOM 1841 CG LEU B 24 0.452 -0.934 -10.851 1.00 15.34 C ATOM 1842 CD1 LEU B 24 -0.888 -1.644 -10.865 1.00 72.35 C ATOM 1843 CD2 LEU B 24 1.044 -0.934 -9.452 1.00 54.53 C ATOM 0 H LEU B 24 0.019 -3.315 -13.023 1.00 44.54 H new ATOM 0 HA LEU B 24 0.509 -0.581 -13.500 1.00 35.12 H new ATOM 0 HB2 LEU B 24 1.655 -2.565 -11.581 1.00 2.33 H new ATOM 0 HB3 LEU B 24 2.401 -0.990 -11.767 1.00 2.33 H new ATOM 0 HG LEU B 24 0.264 0.094 -11.160 1.00 15.34 H new ATOM 0 HD11 LEU B 24 -1.552 -1.182 -10.134 1.00 72.35 H new ATOM 0 HD12 LEU B 24 -1.331 -1.566 -11.858 1.00 72.35 H new ATOM 0 HD13 LEU B 24 -0.746 -2.695 -10.613 1.00 72.35 H new ATOM 0 HD21 LEU B 24 0.323 -0.512 -8.752 1.00 54.53 H new ATOM 0 HD22 LEU B 24 1.280 -1.956 -9.157 1.00 54.53 H new ATOM 0 HD23 LEU B 24 1.954 -0.334 -9.442 1.00 54.53 H new ATOM 1855 N GLU B 25 2.628 -2.640 -14.812 1.00 2.43 N ATOM 1856 CA GLU B 25 3.698 -2.743 -15.806 1.00 42.23 C ATOM 1857 C GLU B 25 3.395 -1.794 -16.971 1.00 44.31 C ATOM 1858 O GLU B 25 4.238 -1.002 -17.394 1.00 55.51 O ATOM 1859 CB GLU B 25 3.725 -4.159 -16.368 1.00 0.15 C ATOM 1860 CG GLU B 25 4.799 -4.396 -17.398 1.00 72.13 C ATOM 1861 CD GLU B 25 4.591 -5.676 -18.146 1.00 50.11 C ATOM 1862 OE1 GLU B 25 4.872 -6.758 -17.600 1.00 52.43 O ATOM 1863 OE2 GLU B 25 4.164 -5.617 -19.307 1.00 62.44 O ATOM 0 H GLU B 25 2.196 -3.533 -14.575 1.00 2.43 H new ATOM 0 HA GLU B 25 4.649 -2.493 -15.336 1.00 42.23 H new ATOM 0 HB2 GLU B 25 3.865 -4.861 -15.546 1.00 0.15 H new ATOM 0 HB3 GLU B 25 2.755 -4.379 -16.814 1.00 0.15 H new ATOM 0 HG2 GLU B 25 4.815 -3.564 -18.102 1.00 72.13 H new ATOM 0 HG3 GLU B 25 5.772 -4.417 -16.908 1.00 72.13 H new ATOM 1870 N THR B 26 2.168 -1.879 -17.451 1.00 54.21 N ATOM 1871 CA THR B 26 1.701 -1.085 -18.553 1.00 42.14 C ATOM 1872 C THR B 26 1.601 0.396 -18.146 1.00 1.33 C ATOM 1873 O THR B 26 2.047 1.283 -18.874 1.00 53.45 O ATOM 1874 CB THR B 26 0.332 -1.616 -19.008 1.00 70.10 C ATOM 1875 OG1 THR B 26 0.449 -3.018 -19.275 1.00 74.23 O ATOM 1876 CG2 THR B 26 -0.123 -0.924 -20.265 1.00 63.14 C ATOM 0 H THR B 26 1.464 -2.514 -17.075 1.00 54.21 H new ATOM 0 HA THR B 26 2.409 -1.157 -19.379 1.00 42.14 H new ATOM 0 HB THR B 26 -0.396 -1.427 -18.219 1.00 70.10 H new ATOM 0 HG1 THR B 26 0.439 -3.514 -18.430 1.00 74.23 H new ATOM 0 HG21 THR B 26 -1.094 -1.318 -20.566 1.00 63.14 H new ATOM 0 HG22 THR B 26 -0.207 0.147 -20.081 1.00 63.14 H new ATOM 0 HG23 THR B 26 0.602 -1.100 -21.060 1.00 63.14 H new ATOM 1884 N VAL B 27 1.045 0.643 -16.964 1.00 53.54 N ATOM 1885 CA VAL B 27 0.904 2.004 -16.440 1.00 33.23 C ATOM 1886 C VAL B 27 2.278 2.679 -16.321 1.00 22.34 C ATOM 1887 O VAL B 27 2.435 3.862 -16.635 1.00 4.22 O ATOM 1888 CB VAL B 27 0.181 2.010 -15.061 1.00 74.55 C ATOM 1889 CG1 VAL B 27 0.074 3.416 -14.507 1.00 41.41 C ATOM 1890 CG2 VAL B 27 -1.208 1.401 -15.183 1.00 42.51 C ATOM 0 H VAL B 27 0.682 -0.083 -16.346 1.00 53.54 H new ATOM 0 HA VAL B 27 0.292 2.568 -17.144 1.00 33.23 H new ATOM 0 HB VAL B 27 0.776 1.409 -14.373 1.00 74.55 H new ATOM 0 HG11 VAL B 27 -0.435 3.390 -13.544 1.00 41.41 H new ATOM 0 HG12 VAL B 27 1.073 3.833 -14.378 1.00 41.41 H new ATOM 0 HG13 VAL B 27 -0.493 4.038 -15.200 1.00 41.41 H new ATOM 0 HG21 VAL B 27 -1.698 1.414 -14.209 1.00 42.51 H new ATOM 0 HG22 VAL B 27 -1.798 1.980 -15.894 1.00 42.51 H new ATOM 0 HG23 VAL B 27 -1.125 0.372 -15.534 1.00 42.51 H new ATOM 1900 N TYR B 28 3.260 1.900 -15.898 1.00 51.23 N ATOM 1901 CA TYR B 28 4.631 2.357 -15.751 1.00 64.10 C ATOM 1902 C TYR B 28 5.147 2.889 -17.085 1.00 1.02 C ATOM 1903 O TYR B 28 5.650 4.013 -17.169 1.00 12.42 O ATOM 1904 CB TYR B 28 5.516 1.187 -15.266 1.00 41.00 C ATOM 1905 CG TYR B 28 6.971 1.539 -15.042 1.00 25.22 C ATOM 1906 CD1 TYR B 28 7.901 1.437 -16.067 1.00 10.01 C ATOM 1907 CD2 TYR B 28 7.406 1.972 -13.807 1.00 14.10 C ATOM 1908 CE1 TYR B 28 9.226 1.764 -15.859 1.00 3.11 C ATOM 1909 CE2 TYR B 28 8.722 2.302 -13.589 1.00 15.31 C ATOM 1910 CZ TYR B 28 9.628 2.198 -14.614 1.00 62.12 C ATOM 1911 OH TYR B 28 10.939 2.530 -14.399 1.00 73.22 O ATOM 0 H TYR B 28 3.125 0.921 -15.644 1.00 51.23 H new ATOM 0 HA TYR B 28 4.668 3.161 -15.016 1.00 64.10 H new ATOM 0 HB2 TYR B 28 5.103 0.800 -14.334 1.00 41.00 H new ATOM 0 HB3 TYR B 28 5.461 0.381 -15.998 1.00 41.00 H new ATOM 0 HD1 TYR B 28 7.584 1.097 -17.042 1.00 10.01 H new ATOM 0 HD2 TYR B 28 6.698 2.053 -12.995 1.00 14.10 H new ATOM 0 HE1 TYR B 28 9.941 1.681 -16.664 1.00 3.11 H new ATOM 0 HE2 TYR B 28 9.042 2.642 -12.615 1.00 15.31 H new ATOM 0 HH TYR B 28 10.988 3.411 -13.972 1.00 73.22 H new ATOM 1921 N ARG B 29 4.982 2.079 -18.110 1.00 74.43 N ATOM 1922 CA ARG B 29 5.422 2.395 -19.462 1.00 23.45 C ATOM 1923 C ARG B 29 4.742 3.629 -20.012 1.00 33.12 C ATOM 1924 O ARG B 29 5.381 4.474 -20.618 1.00 35.00 O ATOM 1925 CB ARG B 29 5.205 1.184 -20.364 1.00 71.15 C ATOM 1926 CG ARG B 29 6.125 0.029 -20.015 1.00 12.31 C ATOM 1927 CD ARG B 29 7.549 0.335 -20.450 1.00 45.41 C ATOM 1928 NE ARG B 29 7.678 0.252 -21.910 1.00 11.31 N ATOM 1929 CZ ARG B 29 8.269 1.147 -22.706 1.00 42.31 C ATOM 1930 NH1 ARG B 29 8.667 2.318 -22.236 1.00 1.34 N ATOM 1931 NH2 ARG B 29 8.400 0.878 -24.001 1.00 2.11 N ATOM 0 H ARG B 29 4.532 1.167 -18.031 1.00 74.43 H new ATOM 0 HA ARG B 29 6.487 2.627 -19.430 1.00 23.45 H new ATOM 0 HB2 ARG B 29 4.169 0.856 -20.284 1.00 71.15 H new ATOM 0 HB3 ARG B 29 5.368 1.474 -21.402 1.00 71.15 H new ATOM 0 HG2 ARG B 29 6.098 -0.154 -18.941 1.00 12.31 H new ATOM 0 HG3 ARG B 29 5.777 -0.882 -20.503 1.00 12.31 H new ATOM 0 HD2 ARG B 29 7.831 1.332 -20.112 1.00 45.41 H new ATOM 0 HD3 ARG B 29 8.237 -0.368 -19.979 1.00 45.41 H new ATOM 0 HE ARG B 29 7.277 -0.570 -22.361 1.00 11.31 H new ATOM 0 HH11 ARG B 29 8.524 2.548 -21.253 1.00 1.34 H new ATOM 0 HH12 ARG B 29 9.117 2.991 -22.857 1.00 1.34 H new ATOM 0 HH21 ARG B 29 8.051 -0.004 -24.377 1.00 2.11 H new ATOM 0 HH22 ARG B 29 8.849 1.553 -24.619 1.00 2.11 H new ATOM 1945 N ALA B 30 3.458 3.747 -19.777 1.00 43.01 N ATOM 1946 CA ALA B 30 2.702 4.899 -20.257 1.00 54.21 C ATOM 1947 C ALA B 30 3.239 6.193 -19.648 1.00 43.34 C ATOM 1948 O ALA B 30 3.318 7.228 -20.314 1.00 42.53 O ATOM 1949 CB ALA B 30 1.230 4.736 -19.930 1.00 74.11 C ATOM 0 H ALA B 30 2.906 3.064 -19.257 1.00 43.01 H new ATOM 0 HA ALA B 30 2.818 4.956 -21.339 1.00 54.21 H new ATOM 0 HB1 ALA B 30 0.678 5.603 -20.294 1.00 74.11 H new ATOM 0 HB2 ALA B 30 0.848 3.835 -20.410 1.00 74.11 H new ATOM 0 HB3 ALA B 30 1.104 4.653 -18.850 1.00 74.11 H new ATOM 1955 N LEU B 31 3.603 6.116 -18.392 1.00 54.41 N ATOM 1956 CA LEU B 31 4.114 7.248 -17.662 1.00 23.25 C ATOM 1957 C LEU B 31 5.532 7.614 -18.052 1.00 25.34 C ATOM 1958 O LEU B 31 5.811 8.781 -18.340 1.00 70.15 O ATOM 1959 CB LEU B 31 3.980 7.016 -16.166 1.00 4.53 C ATOM 1960 CG LEU B 31 2.539 6.900 -15.689 1.00 23.10 C ATOM 1961 CD1 LEU B 31 2.443 6.456 -14.256 1.00 45.24 C ATOM 1962 CD2 LEU B 31 1.836 8.216 -15.856 1.00 62.20 C ATOM 0 H LEU B 31 3.552 5.258 -17.843 1.00 54.41 H new ATOM 0 HA LEU B 31 3.505 8.110 -17.934 1.00 23.25 H new ATOM 0 HB2 LEU B 31 4.516 6.105 -15.900 1.00 4.53 H new ATOM 0 HB3 LEU B 31 4.464 7.836 -15.636 1.00 4.53 H new ATOM 0 HG LEU B 31 2.058 6.138 -16.302 1.00 23.10 H new ATOM 0 HD11 LEU B 31 1.395 6.389 -13.965 1.00 45.24 H new ATOM 0 HD12 LEU B 31 2.913 5.479 -14.146 1.00 45.24 H new ATOM 0 HD13 LEU B 31 2.951 7.178 -13.617 1.00 45.24 H new ATOM 0 HD21 LEU B 31 0.806 8.124 -15.512 1.00 62.20 H new ATOM 0 HD22 LEU B 31 2.348 8.979 -15.269 1.00 62.20 H new ATOM 0 HD23 LEU B 31 1.844 8.502 -16.908 1.00 62.20 H new ATOM 1974 N GLU B 32 6.429 6.642 -18.087 1.00 42.12 N ATOM 1975 CA GLU B 32 7.807 6.956 -18.384 1.00 24.11 C ATOM 1976 C GLU B 32 8.077 7.330 -19.839 1.00 44.14 C ATOM 1977 O GLU B 32 8.952 8.151 -20.117 1.00 61.42 O ATOM 1978 CB GLU B 32 8.831 6.015 -17.723 1.00 42.32 C ATOM 1979 CG GLU B 32 8.684 4.519 -17.950 1.00 42.52 C ATOM 1980 CD GLU B 32 9.080 4.068 -19.316 1.00 5.43 C ATOM 1981 OE1 GLU B 32 10.297 3.972 -19.584 1.00 63.32 O ATOM 1982 OE2 GLU B 32 8.225 3.769 -20.112 1.00 33.25 O ATOM 0 H GLU B 32 6.231 5.656 -17.918 1.00 42.12 H new ATOM 0 HA GLU B 32 7.989 7.900 -17.869 1.00 24.11 H new ATOM 0 HB2 GLU B 32 9.823 6.308 -18.067 1.00 42.32 H new ATOM 0 HB3 GLU B 32 8.801 6.193 -16.648 1.00 42.32 H new ATOM 0 HG2 GLU B 32 9.290 3.990 -17.215 1.00 42.52 H new ATOM 0 HG3 GLU B 32 7.647 4.236 -17.772 1.00 42.52 H new ATOM 1989 N GLU B 33 7.311 6.769 -20.755 1.00 32.21 N ATOM 1990 CA GLU B 33 7.354 7.207 -22.170 1.00 71.54 C ATOM 1991 C GLU B 33 6.945 8.684 -22.297 1.00 11.01 C ATOM 1992 O GLU B 33 7.375 9.389 -23.211 1.00 13.44 O ATOM 1993 CB GLU B 33 6.451 6.352 -23.062 1.00 32.14 C ATOM 1994 CG GLU B 33 6.926 4.930 -23.273 1.00 62.52 C ATOM 1995 CD GLU B 33 8.227 4.852 -24.037 1.00 32.15 C ATOM 1996 OE1 GLU B 33 9.312 4.814 -23.416 1.00 2.00 O ATOM 1997 OE2 GLU B 33 8.190 4.809 -25.278 1.00 70.34 O ATOM 0 H GLU B 33 6.651 6.015 -20.565 1.00 32.21 H new ATOM 0 HA GLU B 33 8.383 7.083 -22.507 1.00 71.54 H new ATOM 0 HB2 GLU B 33 5.453 6.325 -22.625 1.00 32.14 H new ATOM 0 HB3 GLU B 33 6.360 6.837 -24.034 1.00 32.14 H new ATOM 0 HG2 GLU B 33 7.050 4.446 -22.304 1.00 62.52 H new ATOM 0 HG3 GLU B 33 6.160 4.373 -23.812 1.00 62.52 H new ATOM 2004 N LYS B 34 6.122 9.139 -21.372 1.00 73.00 N ATOM 2005 CA LYS B 34 5.673 10.525 -21.328 1.00 72.22 C ATOM 2006 C LYS B 34 6.580 11.370 -20.443 1.00 33.02 C ATOM 2007 O LYS B 34 6.332 12.560 -20.231 1.00 42.45 O ATOM 2008 CB LYS B 34 4.234 10.598 -20.830 1.00 73.23 C ATOM 2009 CG LYS B 34 3.200 10.059 -21.801 1.00 33.53 C ATOM 2010 CD LYS B 34 3.038 10.965 -23.018 1.00 51.23 C ATOM 2011 CE LYS B 34 2.427 12.309 -22.644 1.00 21.20 C ATOM 2012 NZ LYS B 34 2.252 13.187 -23.818 1.00 63.40 N ATOM 0 H LYS B 34 5.742 8.558 -20.625 1.00 73.00 H new ATOM 0 HA LYS B 34 5.720 10.927 -22.340 1.00 72.22 H new ATOM 0 HB2 LYS B 34 4.159 10.043 -19.895 1.00 73.23 H new ATOM 0 HB3 LYS B 34 3.994 11.637 -20.604 1.00 73.23 H new ATOM 0 HG2 LYS B 34 3.493 9.061 -22.127 1.00 33.53 H new ATOM 0 HG3 LYS B 34 2.241 9.959 -21.292 1.00 33.53 H new ATOM 0 HD2 LYS B 34 4.010 11.125 -23.484 1.00 51.23 H new ATOM 0 HD3 LYS B 34 2.407 10.472 -23.757 1.00 51.23 H new ATOM 0 HE2 LYS B 34 1.461 12.147 -22.166 1.00 21.20 H new ATOM 0 HE3 LYS B 34 3.065 12.805 -21.913 1.00 21.20 H new ATOM 0 HZ1 LYS B 34 1.834 14.090 -23.517 1.00 63.40 H new ATOM 0 HZ2 LYS B 34 3.177 13.364 -24.260 1.00 63.40 H new ATOM 0 HZ3 LYS B 34 1.622 12.726 -24.505 1.00 63.40 H new ATOM 2026 N GLY B 35 7.615 10.752 -19.928 1.00 70.33 N ATOM 2027 CA GLY B 35 8.567 11.446 -19.100 1.00 1.14 C ATOM 2028 C GLY B 35 8.032 11.783 -17.727 1.00 43.31 C ATOM 2029 O GLY B 35 8.408 12.800 -17.149 1.00 62.00 O ATOM 0 H GLY B 35 7.819 9.763 -20.070 1.00 70.33 H new ATOM 0 HA2 GLY B 35 9.461 10.832 -18.993 1.00 1.14 H new ATOM 0 HA3 GLY B 35 8.870 12.366 -19.600 1.00 1.14 H new ATOM 2033 N TYR B 36 7.135 10.971 -17.211 1.00 74.50 N ATOM 2034 CA TYR B 36 6.636 11.184 -15.866 1.00 34.43 C ATOM 2035 C TYR B 36 7.350 10.253 -14.933 1.00 5.52 C ATOM 2036 O TYR B 36 8.158 9.424 -15.370 1.00 13.43 O ATOM 2037 CB TYR B 36 5.120 10.908 -15.749 1.00 21.05 C ATOM 2038 CG TYR B 36 4.234 11.781 -16.590 1.00 64.33 C ATOM 2039 CD1 TYR B 36 3.411 11.235 -17.564 1.00 5.32 C ATOM 2040 CD2 TYR B 36 4.201 13.150 -16.400 1.00 42.12 C ATOM 2041 CE1 TYR B 36 2.586 12.038 -18.329 1.00 54.42 C ATOM 2042 CE2 TYR B 36 3.381 13.952 -17.157 1.00 72.43 C ATOM 2043 CZ TYR B 36 2.578 13.397 -18.118 1.00 23.20 C ATOM 2044 OH TYR B 36 1.767 14.205 -18.881 1.00 52.32 O ATOM 0 H TYR B 36 6.739 10.165 -17.694 1.00 74.50 H new ATOM 0 HA TYR B 36 6.813 12.229 -15.613 1.00 34.43 H new ATOM 0 HB2 TYR B 36 4.937 9.868 -16.019 1.00 21.05 H new ATOM 0 HB3 TYR B 36 4.828 11.023 -14.705 1.00 21.05 H new ATOM 0 HD1 TYR B 36 3.415 10.167 -17.727 1.00 5.32 H new ATOM 0 HD2 TYR B 36 4.830 13.597 -15.644 1.00 42.12 H new ATOM 0 HE1 TYR B 36 1.952 11.601 -19.087 1.00 54.42 H new ATOM 0 HE2 TYR B 36 3.370 15.020 -16.994 1.00 72.43 H new ATOM 0 HH TYR B 36 1.880 15.138 -18.603 1.00 52.32 H new ATOM 2054 N ASN B 37 7.078 10.387 -13.667 1.00 33.12 N ATOM 2055 CA ASN B 37 7.547 9.436 -12.697 1.00 73.42 C ATOM 2056 C ASN B 37 6.402 8.527 -12.375 1.00 4.31 C ATOM 2057 O ASN B 37 5.470 8.941 -11.674 1.00 12.52 O ATOM 2058 CB ASN B 37 8.054 10.086 -11.396 1.00 53.31 C ATOM 2059 CG ASN B 37 9.341 10.884 -11.525 1.00 45.53 C ATOM 2060 OD1 ASN B 37 9.657 11.440 -12.577 1.00 10.15 O ATOM 2061 ND2 ASN B 37 10.087 10.954 -10.446 1.00 64.33 N ATOM 0 H ASN B 37 6.528 11.153 -13.278 1.00 33.12 H new ATOM 0 HA ASN B 37 8.397 8.905 -13.126 1.00 73.42 H new ATOM 0 HB2 ASN B 37 7.275 10.744 -11.011 1.00 53.31 H new ATOM 0 HB3 ASN B 37 8.205 9.303 -10.653 1.00 53.31 H new ATOM 0 HD21 ASN B 37 10.960 11.482 -10.463 1.00 64.33 H new ATOM 0 HD22 ASN B 37 9.794 10.480 -9.592 1.00 64.33 H new ATOM 2068 N PRO B 38 6.403 7.294 -12.943 1.00 11.10 N ATOM 2069 CA PRO B 38 5.371 6.285 -12.713 1.00 10.01 C ATOM 2070 C PRO B 38 4.887 6.203 -11.279 1.00 43.00 C ATOM 2071 O PRO B 38 3.699 6.089 -11.028 1.00 32.24 O ATOM 2072 CB PRO B 38 6.079 5.005 -13.093 1.00 35.02 C ATOM 2073 CG PRO B 38 6.947 5.403 -14.222 1.00 60.33 C ATOM 2074 CD PRO B 38 7.398 6.800 -13.925 1.00 35.11 C ATOM 0 HA PRO B 38 4.467 6.508 -13.281 1.00 10.01 H new ATOM 0 HB2 PRO B 38 6.661 4.608 -12.261 1.00 35.02 H new ATOM 0 HB3 PRO B 38 5.372 4.229 -13.386 1.00 35.02 H new ATOM 0 HG2 PRO B 38 7.799 4.730 -14.315 1.00 60.33 H new ATOM 0 HG3 PRO B 38 6.403 5.361 -15.166 1.00 60.33 H new ATOM 0 HD2 PRO B 38 8.407 6.815 -13.513 1.00 35.11 H new ATOM 0 HD3 PRO B 38 7.411 7.415 -14.825 1.00 35.11 H new ATOM 2082 N ILE B 39 5.807 6.313 -10.357 1.00 11.23 N ATOM 2083 CA ILE B 39 5.503 6.176 -8.957 1.00 2.12 C ATOM 2084 C ILE B 39 4.561 7.274 -8.471 1.00 52.02 C ATOM 2085 O ILE B 39 3.558 6.973 -7.847 1.00 21.14 O ATOM 2086 CB ILE B 39 6.793 6.129 -8.105 1.00 25.24 C ATOM 2087 CG1 ILE B 39 7.720 5.032 -8.647 1.00 23.51 C ATOM 2088 CG2 ILE B 39 6.468 5.876 -6.639 1.00 74.21 C ATOM 2089 CD1 ILE B 39 7.090 3.649 -8.702 1.00 53.12 C ATOM 0 H ILE B 39 6.790 6.500 -10.556 1.00 11.23 H new ATOM 0 HA ILE B 39 4.984 5.226 -8.832 1.00 2.12 H new ATOM 0 HB ILE B 39 7.296 7.094 -8.172 1.00 25.24 H new ATOM 0 HG12 ILE B 39 8.045 5.310 -9.650 1.00 23.51 H new ATOM 0 HG13 ILE B 39 8.613 4.987 -8.024 1.00 23.51 H new ATOM 0 HG21 ILE B 39 7.392 5.847 -6.061 1.00 74.21 H new ATOM 0 HG22 ILE B 39 5.830 6.677 -6.264 1.00 74.21 H new ATOM 0 HG23 ILE B 39 5.949 4.923 -6.541 1.00 74.21 H new ATOM 0 HD11 ILE B 39 7.813 2.935 -9.097 1.00 53.12 H new ATOM 0 HD12 ILE B 39 6.791 3.345 -7.699 1.00 53.12 H new ATOM 0 HD13 ILE B 39 6.214 3.674 -9.350 1.00 53.12 H new ATOM 2101 N ASN B 40 4.858 8.530 -8.829 1.00 34.20 N ATOM 2102 CA ASN B 40 4.044 9.690 -8.390 1.00 15.05 C ATOM 2103 C ASN B 40 2.610 9.561 -8.853 1.00 13.20 C ATOM 2104 O ASN B 40 1.673 9.780 -8.088 1.00 51.50 O ATOM 2105 CB ASN B 40 4.595 11.025 -8.926 1.00 32.52 C ATOM 2106 CG ASN B 40 5.987 11.373 -8.448 1.00 74.35 C ATOM 2107 OD1 ASN B 40 6.708 12.109 -9.253 1.00 31.12 O flip ATOM 2108 ND2 ASN B 40 6.409 10.991 -7.364 1.00 53.34 N flip ATOM 0 H ASN B 40 5.652 8.777 -9.420 1.00 34.20 H new ATOM 0 HA ASN B 40 4.092 9.691 -7.301 1.00 15.05 H new ATOM 0 HB2 ASN B 40 4.598 10.990 -10.015 1.00 32.52 H new ATOM 0 HB3 ASN B 40 3.915 11.826 -8.635 1.00 32.52 H new ATOM 0 HD21 ASN B 40 5.819 10.418 -6.760 1.00 53.34 H new ATOM 0 HD22 ASN B 40 7.350 11.246 -7.064 1.00 53.34 H new ATOM 2115 N GLN B 41 2.435 9.190 -10.101 1.00 44.42 N ATOM 2116 CA GLN B 41 1.104 9.092 -10.665 1.00 72.03 C ATOM 2117 C GLN B 41 0.342 7.889 -10.118 1.00 72.31 C ATOM 2118 O GLN B 41 -0.868 7.954 -9.941 1.00 60.32 O ATOM 2119 CB GLN B 41 1.138 9.074 -12.188 1.00 73.35 C ATOM 2120 CG GLN B 41 1.753 10.326 -12.838 1.00 4.25 C ATOM 2121 CD GLN B 41 0.984 11.617 -12.565 1.00 2.52 C ATOM 2122 OE1 GLN B 41 0.359 11.787 -11.527 1.00 0.14 O ATOM 2123 NE2 GLN B 41 1.024 12.529 -13.505 1.00 3.25 N ATOM 0 H GLN B 41 3.191 8.952 -10.743 1.00 44.42 H new ATOM 0 HA GLN B 41 0.564 9.988 -10.357 1.00 72.03 H new ATOM 0 HB2 GLN B 41 1.701 8.200 -12.514 1.00 73.35 H new ATOM 0 HB3 GLN B 41 0.120 8.953 -12.558 1.00 73.35 H new ATOM 0 HG2 GLN B 41 2.775 10.443 -12.479 1.00 4.25 H new ATOM 0 HG3 GLN B 41 1.810 10.171 -13.915 1.00 4.25 H new ATOM 0 HE21 GLN B 41 1.554 12.358 -14.360 1.00 3.25 H new ATOM 0 HE22 GLN B 41 0.525 13.410 -13.382 1.00 3.25 H new ATOM 2132 N ILE B 42 1.051 6.798 -9.836 1.00 32.52 N ATOM 2133 CA ILE B 42 0.401 5.625 -9.274 1.00 54.12 C ATOM 2134 C ILE B 42 -0.007 5.879 -7.825 1.00 13.20 C ATOM 2135 O ILE B 42 -1.171 5.674 -7.471 1.00 55.45 O ATOM 2136 CB ILE B 42 1.249 4.321 -9.399 1.00 34.12 C ATOM 2137 CG1 ILE B 42 1.469 3.974 -10.887 1.00 45.34 C ATOM 2138 CG2 ILE B 42 0.559 3.155 -8.674 1.00 72.25 C ATOM 2139 CD1 ILE B 42 2.322 2.740 -11.126 1.00 23.14 C ATOM 0 H ILE B 42 2.056 6.705 -9.985 1.00 32.52 H new ATOM 0 HA ILE B 42 -0.495 5.455 -9.872 1.00 54.12 H new ATOM 0 HB ILE B 42 2.218 4.490 -8.929 1.00 34.12 H new ATOM 0 HG12 ILE B 42 0.498 3.826 -11.360 1.00 45.34 H new ATOM 0 HG13 ILE B 42 1.938 4.825 -11.380 1.00 45.34 H new ATOM 0 HG21 ILE B 42 1.166 2.255 -8.773 1.00 72.25 H new ATOM 0 HG22 ILE B 42 0.443 3.400 -7.618 1.00 72.25 H new ATOM 0 HG23 ILE B 42 -0.422 2.981 -9.116 1.00 72.25 H new ATOM 0 HD11 ILE B 42 2.425 2.571 -12.198 1.00 23.14 H new ATOM 0 HD12 ILE B 42 3.308 2.889 -10.686 1.00 23.14 H new ATOM 0 HD13 ILE B 42 1.846 1.874 -10.666 1.00 23.14 H new ATOM 2151 N VAL B 43 0.924 6.369 -6.997 1.00 54.44 N ATOM 2152 CA VAL B 43 0.589 6.675 -5.608 1.00 61.10 C ATOM 2153 C VAL B 43 -0.544 7.717 -5.558 1.00 51.21 C ATOM 2154 O VAL B 43 -1.493 7.587 -4.769 1.00 42.12 O ATOM 2155 CB VAL B 43 1.840 7.108 -4.735 1.00 44.40 C ATOM 2156 CG1 VAL B 43 2.543 8.316 -5.313 1.00 1.11 C ATOM 2157 CG2 VAL B 43 1.426 7.404 -3.303 1.00 3.32 C ATOM 0 H VAL B 43 1.892 6.557 -7.259 1.00 54.44 H new ATOM 0 HA VAL B 43 0.236 5.751 -5.149 1.00 61.10 H new ATOM 0 HB VAL B 43 2.535 6.268 -4.746 1.00 44.40 H new ATOM 0 HG11 VAL B 43 3.393 8.578 -4.683 1.00 1.11 H new ATOM 0 HG12 VAL B 43 2.893 8.086 -6.319 1.00 1.11 H new ATOM 0 HG13 VAL B 43 1.849 9.156 -5.353 1.00 1.11 H new ATOM 0 HG21 VAL B 43 2.302 7.699 -2.725 1.00 3.32 H new ATOM 0 HG22 VAL B 43 0.697 8.214 -3.295 1.00 3.32 H new ATOM 0 HG23 VAL B 43 0.982 6.512 -2.861 1.00 3.32 H new ATOM 2167 N GLY B 44 -0.472 8.697 -6.459 1.00 5.53 N ATOM 2168 CA GLY B 44 -1.504 9.696 -6.565 1.00 74.31 C ATOM 2169 C GLY B 44 -2.839 9.089 -6.964 1.00 54.02 C ATOM 2170 O GLY B 44 -3.883 9.469 -6.428 1.00 31.02 O ATOM 0 H GLY B 44 0.296 8.810 -7.121 1.00 5.53 H new ATOM 0 HA2 GLY B 44 -1.610 10.212 -5.611 1.00 74.31 H new ATOM 0 HA3 GLY B 44 -1.211 10.445 -7.301 1.00 74.31 H new ATOM 2174 N TYR B 45 -2.811 8.133 -7.894 1.00 75.40 N ATOM 2175 CA TYR B 45 -4.025 7.467 -8.346 1.00 32.32 C ATOM 2176 C TYR B 45 -4.713 6.720 -7.230 1.00 14.51 C ATOM 2177 O TYR B 45 -5.892 6.890 -7.032 1.00 53.10 O ATOM 2178 CB TYR B 45 -3.790 6.513 -9.539 1.00 3.34 C ATOM 2179 CG TYR B 45 -5.053 5.732 -9.927 1.00 42.13 C ATOM 2180 CD1 TYR B 45 -5.247 4.415 -9.509 1.00 2.10 C ATOM 2181 CD2 TYR B 45 -6.049 6.317 -10.683 1.00 53.32 C ATOM 2182 CE1 TYR B 45 -6.393 3.718 -9.840 1.00 3.42 C ATOM 2183 CE2 TYR B 45 -7.199 5.626 -11.013 1.00 55.34 C ATOM 2184 CZ TYR B 45 -7.365 4.332 -10.591 1.00 12.10 C ATOM 2185 OH TYR B 45 -8.515 3.648 -10.922 1.00 24.42 O ATOM 0 H TYR B 45 -1.958 7.805 -8.347 1.00 75.40 H new ATOM 0 HA TYR B 45 -4.676 8.272 -8.688 1.00 32.32 H new ATOM 0 HB2 TYR B 45 -3.445 7.089 -10.398 1.00 3.34 H new ATOM 0 HB3 TYR B 45 -2.996 5.810 -9.287 1.00 3.34 H new ATOM 0 HD1 TYR B 45 -4.486 3.931 -8.915 1.00 2.10 H new ATOM 0 HD2 TYR B 45 -5.927 7.335 -11.023 1.00 53.32 H new ATOM 0 HE1 TYR B 45 -6.523 2.698 -9.511 1.00 3.42 H new ATOM 0 HE2 TYR B 45 -7.967 6.105 -11.603 1.00 55.34 H new ATOM 0 HH TYR B 45 -8.860 3.185 -10.130 1.00 24.42 H new ATOM 2195 N LEU B 46 -3.991 5.896 -6.512 1.00 21.11 N ATOM 2196 CA LEU B 46 -4.627 5.099 -5.477 1.00 63.15 C ATOM 2197 C LEU B 46 -5.129 5.932 -4.306 1.00 55.34 C ATOM 2198 O LEU B 46 -6.181 5.635 -3.735 1.00 64.05 O ATOM 2199 CB LEU B 46 -3.799 3.883 -5.010 1.00 73.12 C ATOM 2200 CG LEU B 46 -3.596 2.725 -6.025 1.00 52.53 C ATOM 2201 CD1 LEU B 46 -2.697 3.099 -7.172 1.00 43.43 C ATOM 2202 CD2 LEU B 46 -3.087 1.488 -5.330 1.00 42.41 C ATOM 0 H LEU B 46 -2.986 5.756 -6.616 1.00 21.11 H new ATOM 0 HA LEU B 46 -5.505 4.679 -5.967 1.00 63.15 H new ATOM 0 HB2 LEU B 46 -2.815 4.242 -4.707 1.00 73.12 H new ATOM 0 HB3 LEU B 46 -4.276 3.472 -4.121 1.00 73.12 H new ATOM 0 HG LEU B 46 -4.576 2.514 -6.454 1.00 52.53 H new ATOM 0 HD11 LEU B 46 -2.594 2.249 -7.846 1.00 43.43 H new ATOM 0 HD12 LEU B 46 -3.129 3.941 -7.713 1.00 43.43 H new ATOM 0 HD13 LEU B 46 -1.716 3.379 -6.789 1.00 43.43 H new ATOM 0 HD21 LEU B 46 -2.952 0.690 -6.060 1.00 42.41 H new ATOM 0 HD22 LEU B 46 -2.133 1.707 -4.851 1.00 42.41 H new ATOM 0 HD23 LEU B 46 -3.808 1.172 -4.576 1.00 42.41 H new ATOM 2214 N LEU B 47 -4.405 6.977 -3.958 1.00 61.23 N ATOM 2215 CA LEU B 47 -4.825 7.820 -2.853 1.00 31.23 C ATOM 2216 C LEU B 47 -6.011 8.711 -3.242 1.00 63.44 C ATOM 2217 O LEU B 47 -6.924 8.919 -2.444 1.00 64.24 O ATOM 2218 CB LEU B 47 -3.664 8.676 -2.320 1.00 73.13 C ATOM 2219 CG LEU B 47 -2.431 7.922 -1.797 1.00 53.53 C ATOM 2220 CD1 LEU B 47 -1.396 8.897 -1.258 1.00 40.01 C ATOM 2221 CD2 LEU B 47 -2.813 6.902 -0.733 1.00 73.33 C ATOM 0 H LEU B 47 -3.538 7.261 -4.414 1.00 61.23 H new ATOM 0 HA LEU B 47 -5.149 7.154 -2.054 1.00 31.23 H new ATOM 0 HB2 LEU B 47 -3.340 9.344 -3.118 1.00 73.13 H new ATOM 0 HB3 LEU B 47 -4.046 9.303 -1.514 1.00 73.13 H new ATOM 0 HG LEU B 47 -1.993 7.379 -2.635 1.00 53.53 H new ATOM 0 HD11 LEU B 47 -0.531 8.344 -0.892 1.00 40.01 H new ATOM 0 HD12 LEU B 47 -1.084 9.574 -2.054 1.00 40.01 H new ATOM 0 HD13 LEU B 47 -1.830 9.473 -0.441 1.00 40.01 H new ATOM 0 HD21 LEU B 47 -1.918 6.387 -0.385 1.00 73.33 H new ATOM 0 HD22 LEU B 47 -3.288 7.411 0.106 1.00 73.33 H new ATOM 0 HD23 LEU B 47 -3.507 6.177 -1.157 1.00 73.33 H new ATOM 2233 N SER B 48 -6.011 9.208 -4.467 1.00 25.32 N ATOM 2234 CA SER B 48 -7.052 10.122 -4.910 1.00 30.04 C ATOM 2235 C SER B 48 -8.226 9.389 -5.597 1.00 32.34 C ATOM 2236 O SER B 48 -9.340 9.910 -5.634 1.00 21.11 O ATOM 2237 CB SER B 48 -6.443 11.174 -5.838 1.00 75.43 C ATOM 2238 OG SER B 48 -7.374 12.179 -6.215 1.00 24.44 O ATOM 0 H SER B 48 -5.305 8.995 -5.171 1.00 25.32 H new ATOM 0 HA SER B 48 -7.469 10.611 -4.030 1.00 30.04 H new ATOM 0 HB2 SER B 48 -5.592 11.641 -5.342 1.00 75.43 H new ATOM 0 HB3 SER B 48 -6.061 10.684 -6.734 1.00 75.43 H new ATOM 0 HG SER B 48 -7.357 12.292 -7.188 1.00 24.44 H new ATOM 2244 N GLY B 49 -7.968 8.208 -6.135 1.00 33.12 N ATOM 2245 CA GLY B 49 -8.995 7.420 -6.782 1.00 53.43 C ATOM 2246 C GLY B 49 -9.542 8.056 -8.045 1.00 63.34 C ATOM 2247 O GLY B 49 -10.757 8.183 -8.193 1.00 24.40 O ATOM 0 H GLY B 49 -7.045 7.774 -6.134 1.00 33.12 H new ATOM 0 HA2 GLY B 49 -8.589 6.439 -7.026 1.00 53.43 H new ATOM 0 HA3 GLY B 49 -9.814 7.260 -6.081 1.00 53.43 H new ATOM 2251 N ASP B 50 -8.671 8.469 -8.964 1.00 65.41 N ATOM 2252 CA ASP B 50 -9.163 9.071 -10.198 1.00 5.14 C ATOM 2253 C ASP B 50 -8.188 8.857 -11.357 1.00 61.24 C ATOM 2254 O ASP B 50 -7.003 9.166 -11.238 1.00 62.15 O ATOM 2255 CB ASP B 50 -9.439 10.557 -10.019 1.00 55.54 C ATOM 2256 CG ASP B 50 -10.224 11.123 -11.182 1.00 32.14 C ATOM 2257 OD1 ASP B 50 -9.626 11.577 -12.166 1.00 63.34 O ATOM 2258 OD2 ASP B 50 -11.480 11.117 -11.117 1.00 53.35 O ATOM 0 H ASP B 50 -7.656 8.401 -8.883 1.00 65.41 H new ATOM 0 HA ASP B 50 -10.100 8.570 -10.441 1.00 5.14 H new ATOM 0 HB2 ASP B 50 -9.993 10.716 -9.094 1.00 55.54 H new ATOM 0 HB3 ASP B 50 -8.495 11.094 -9.921 1.00 55.54 H new ATOM 2263 N PRO B 51 -8.692 8.320 -12.495 1.00 33.22 N ATOM 2264 CA PRO B 51 -7.897 7.996 -13.704 1.00 35.20 C ATOM 2265 C PRO B 51 -7.062 9.148 -14.280 1.00 51.01 C ATOM 2266 O PRO B 51 -6.090 8.893 -14.984 1.00 74.44 O ATOM 2267 CB PRO B 51 -8.935 7.527 -14.725 1.00 12.12 C ATOM 2268 CG PRO B 51 -10.240 7.981 -14.185 1.00 23.40 C ATOM 2269 CD PRO B 51 -10.103 7.959 -12.699 1.00 14.44 C ATOM 0 HA PRO B 51 -7.143 7.251 -13.448 1.00 35.20 H new ATOM 0 HB2 PRO B 51 -8.744 7.957 -15.708 1.00 12.12 H new ATOM 0 HB3 PRO B 51 -8.912 6.443 -14.842 1.00 12.12 H new ATOM 0 HG2 PRO B 51 -10.481 8.983 -14.539 1.00 23.40 H new ATOM 0 HG3 PRO B 51 -11.047 7.325 -14.512 1.00 23.40 H new ATOM 0 HD2 PRO B 51 -10.776 8.671 -12.220 1.00 14.44 H new ATOM 0 HD3 PRO B 51 -10.333 6.977 -12.286 1.00 14.44 H new ATOM 2277 N ALA B 52 -7.446 10.406 -13.986 1.00 14.01 N ATOM 2278 CA ALA B 52 -6.789 11.606 -14.568 1.00 3.01 C ATOM 2279 C ALA B 52 -5.273 11.654 -14.328 1.00 13.31 C ATOM 2280 O ALA B 52 -4.560 12.397 -15.003 1.00 4.43 O ATOM 2281 CB ALA B 52 -7.421 12.874 -14.030 1.00 64.55 C ATOM 0 H ALA B 52 -8.210 10.624 -13.347 1.00 14.01 H new ATOM 0 HA ALA B 52 -6.942 11.533 -15.645 1.00 3.01 H new ATOM 0 HB1 ALA B 52 -6.926 13.741 -14.468 1.00 64.55 H new ATOM 0 HB2 ALA B 52 -8.480 12.891 -14.289 1.00 64.55 H new ATOM 0 HB3 ALA B 52 -7.312 12.903 -12.946 1.00 64.55 H new ATOM 2287 N TYR B 53 -4.788 10.885 -13.376 1.00 33.32 N ATOM 2288 CA TYR B 53 -3.363 10.794 -13.123 1.00 74.22 C ATOM 2289 C TYR B 53 -2.624 10.103 -14.264 1.00 21.53 C ATOM 2290 O TYR B 53 -1.449 10.379 -14.514 1.00 72.21 O ATOM 2291 CB TYR B 53 -3.098 10.064 -11.816 1.00 50.53 C ATOM 2292 CG TYR B 53 -3.438 10.908 -10.644 1.00 74.31 C ATOM 2293 CD1 TYR B 53 -2.504 11.777 -10.141 1.00 35.04 C ATOM 2294 CD2 TYR B 53 -4.684 10.867 -10.053 1.00 22.33 C ATOM 2295 CE1 TYR B 53 -2.782 12.584 -9.087 1.00 60.34 C ATOM 2296 CE2 TYR B 53 -4.981 11.677 -8.987 1.00 4.33 C ATOM 2297 CZ TYR B 53 -4.023 12.537 -8.504 1.00 71.15 C ATOM 2298 OH TYR B 53 -4.307 13.354 -7.427 1.00 71.15 O ATOM 0 H TYR B 53 -5.363 10.310 -12.760 1.00 33.32 H new ATOM 0 HA TYR B 53 -2.984 11.813 -13.049 1.00 74.22 H new ATOM 0 HB2 TYR B 53 -3.683 9.145 -11.786 1.00 50.53 H new ATOM 0 HB3 TYR B 53 -2.048 9.775 -11.766 1.00 50.53 H new ATOM 0 HD1 TYR B 53 -1.525 11.820 -10.594 1.00 35.04 H new ATOM 0 HD2 TYR B 53 -5.434 10.190 -10.434 1.00 22.33 H new ATOM 0 HE1 TYR B 53 -2.030 13.260 -8.708 1.00 60.34 H new ATOM 0 HE2 TYR B 53 -5.959 11.640 -8.531 1.00 4.33 H new ATOM 0 HH TYR B 53 -5.276 13.379 -7.282 1.00 71.15 H new ATOM 2308 N ILE B 54 -3.320 9.243 -14.976 1.00 71.11 N ATOM 2309 CA ILE B 54 -2.704 8.457 -16.016 1.00 62.12 C ATOM 2310 C ILE B 54 -3.033 9.063 -17.393 1.00 1.35 C ATOM 2311 O ILE B 54 -4.198 9.313 -17.704 1.00 20.13 O ATOM 2312 CB ILE B 54 -3.171 6.971 -15.941 1.00 33.04 C ATOM 2313 CG1 ILE B 54 -2.981 6.418 -14.509 1.00 54.02 C ATOM 2314 CG2 ILE B 54 -2.415 6.101 -16.948 1.00 22.40 C ATOM 2315 CD1 ILE B 54 -1.562 6.526 -13.970 1.00 52.03 C ATOM 0 H ILE B 54 -4.318 9.072 -14.850 1.00 71.11 H new ATOM 0 HA ILE B 54 -1.624 8.473 -15.873 1.00 62.12 H new ATOM 0 HB ILE B 54 -4.231 6.940 -16.195 1.00 33.04 H new ATOM 0 HG12 ILE B 54 -3.653 6.951 -13.836 1.00 54.02 H new ATOM 0 HG13 ILE B 54 -3.282 5.370 -14.496 1.00 54.02 H new ATOM 0 HG21 ILE B 54 -2.763 5.071 -16.872 1.00 22.40 H new ATOM 0 HG22 ILE B 54 -2.596 6.471 -17.957 1.00 22.40 H new ATOM 0 HG23 ILE B 54 -1.347 6.141 -16.733 1.00 22.40 H new ATOM 0 HD11 ILE B 54 -1.524 6.114 -12.962 1.00 52.03 H new ATOM 0 HD12 ILE B 54 -0.884 5.968 -14.616 1.00 52.03 H new ATOM 0 HD13 ILE B 54 -1.261 7.573 -13.946 1.00 52.03 H new ATOM 2327 N PRO B 55 -2.000 9.321 -18.216 1.00 53.11 N ATOM 2328 CA PRO B 55 -2.145 9.954 -19.533 1.00 70.13 C ATOM 2329 C PRO B 55 -2.880 9.083 -20.555 1.00 10.30 C ATOM 2330 O PRO B 55 -2.897 7.851 -20.457 1.00 20.45 O ATOM 2331 CB PRO B 55 -0.690 10.163 -19.981 1.00 4.10 C ATOM 2332 CG PRO B 55 0.076 9.139 -19.243 1.00 20.33 C ATOM 2333 CD PRO B 55 -0.599 9.017 -17.920 1.00 5.54 C ATOM 0 HA PRO B 55 -2.741 10.864 -19.467 1.00 70.13 H new ATOM 0 HB2 PRO B 55 -0.585 10.037 -21.059 1.00 4.10 H new ATOM 0 HB3 PRO B 55 -0.342 11.168 -19.742 1.00 4.10 H new ATOM 0 HG2 PRO B 55 0.073 8.187 -19.775 1.00 20.33 H new ATOM 0 HG3 PRO B 55 1.118 9.436 -19.126 1.00 20.33 H new ATOM 0 HD2 PRO B 55 -0.486 8.016 -17.503 1.00 5.54 H new ATOM 0 HD3 PRO B 55 -0.183 9.714 -17.192 1.00 5.54 H new ATOM 2341 N ARG B 56 -3.447 9.736 -21.561 1.00 23.32 N ATOM 2342 CA ARG B 56 -4.201 9.058 -22.620 1.00 73.13 C ATOM 2343 C ARG B 56 -3.291 8.651 -23.764 1.00 61.35 C ATOM 2344 O ARG B 56 -3.746 8.272 -24.839 1.00 14.01 O ATOM 2345 CB ARG B 56 -5.335 9.942 -23.119 1.00 75.55 C ATOM 2346 CG ARG B 56 -6.339 10.288 -22.046 1.00 32.45 C ATOM 2347 CD ARG B 56 -7.437 11.178 -22.570 1.00 53.55 C ATOM 2348 NE ARG B 56 -8.399 11.505 -21.521 1.00 42.31 N ATOM 2349 CZ ARG B 56 -9.448 12.311 -21.662 1.00 71.34 C ATOM 2350 NH1 ARG B 56 -9.683 12.903 -22.831 1.00 12.04 N ATOM 2351 NH2 ARG B 56 -10.274 12.518 -20.634 1.00 73.00 N ATOM 0 H ARG B 56 -3.400 10.749 -21.670 1.00 23.32 H new ATOM 0 HA ARG B 56 -4.633 8.150 -22.199 1.00 73.13 H new ATOM 0 HB2 ARG B 56 -4.917 10.863 -23.526 1.00 75.55 H new ATOM 0 HB3 ARG B 56 -5.848 9.436 -23.937 1.00 75.55 H new ATOM 0 HG2 ARG B 56 -6.774 9.372 -21.647 1.00 32.45 H new ATOM 0 HG3 ARG B 56 -5.831 10.786 -21.220 1.00 32.45 H new ATOM 0 HD2 ARG B 56 -7.005 12.096 -22.970 1.00 53.55 H new ATOM 0 HD3 ARG B 56 -7.949 10.681 -23.394 1.00 53.55 H new ATOM 0 HE ARG B 56 -8.255 11.080 -20.605 1.00 42.31 H new ATOM 0 HH11 ARG B 56 -9.058 12.739 -23.620 1.00 12.04 H new ATOM 0 HH12 ARG B 56 -10.488 13.521 -22.937 1.00 12.04 H new ATOM 0 HH21 ARG B 56 -10.101 12.058 -19.740 1.00 73.00 H new ATOM 0 HH22 ARG B 56 -11.078 13.136 -20.742 1.00 73.00 H new ATOM 2365 N TYR B 57 -2.007 8.752 -23.515 1.00 62.23 N ATOM 2366 CA TYR B 57 -0.965 8.321 -24.434 1.00 63.01 C ATOM 2367 C TYR B 57 -1.119 6.845 -24.769 1.00 64.15 C ATOM 2368 O TYR B 57 -0.933 6.426 -25.919 1.00 14.44 O ATOM 2369 CB TYR B 57 0.399 8.562 -23.771 1.00 51.23 C ATOM 2370 CG TYR B 57 1.606 8.031 -24.530 1.00 31.22 C ATOM 2371 CD1 TYR B 57 2.223 8.783 -25.515 1.00 60.15 C ATOM 2372 CD2 TYR B 57 2.128 6.775 -24.241 1.00 64.34 C ATOM 2373 CE1 TYR B 57 3.324 8.302 -26.191 1.00 54.12 C ATOM 2374 CE2 TYR B 57 3.224 6.285 -24.904 1.00 74.42 C ATOM 2375 CZ TYR B 57 3.824 7.052 -25.884 1.00 22.02 C ATOM 2376 OH TYR B 57 4.930 6.573 -26.554 1.00 21.21 O ATOM 0 H TYR B 57 -1.642 9.145 -22.647 1.00 62.23 H new ATOM 0 HA TYR B 57 -1.043 8.889 -25.361 1.00 63.01 H new ATOM 0 HB2 TYR B 57 0.527 9.635 -23.626 1.00 51.23 H new ATOM 0 HB3 TYR B 57 0.386 8.106 -22.781 1.00 51.23 H new ATOM 0 HD1 TYR B 57 1.836 9.762 -25.758 1.00 60.15 H new ATOM 0 HD2 TYR B 57 1.660 6.172 -23.477 1.00 64.34 H new ATOM 0 HE1 TYR B 57 3.794 8.900 -26.958 1.00 54.12 H new ATOM 0 HE2 TYR B 57 3.615 5.308 -24.662 1.00 74.42 H new ATOM 0 HH TYR B 57 5.154 5.680 -26.218 1.00 21.21 H new ATOM 2386 N GLN B 58 -1.478 6.076 -23.782 1.00 21.22 N ATOM 2387 CA GLN B 58 -1.573 4.668 -23.934 1.00 30.04 C ATOM 2388 C GLN B 58 -2.867 4.217 -23.287 1.00 20.53 C ATOM 2389 O GLN B 58 -3.444 4.951 -22.468 1.00 64.40 O ATOM 2390 CB GLN B 58 -0.360 4.023 -23.242 1.00 12.40 C ATOM 2391 CG GLN B 58 -0.132 2.559 -23.538 1.00 32.30 C ATOM 2392 CD GLN B 58 1.056 2.017 -22.785 1.00 41.30 C ATOM 2393 OE1 GLN B 58 0.918 1.555 -21.682 1.00 52.23 O ATOM 2394 NE2 GLN B 58 2.216 2.062 -23.386 1.00 62.13 N ATOM 0 H GLN B 58 -1.712 6.417 -22.850 1.00 21.22 H new ATOM 0 HA GLN B 58 -1.575 4.375 -24.984 1.00 30.04 H new ATOM 0 HB2 GLN B 58 0.534 4.575 -23.530 1.00 12.40 H new ATOM 0 HB3 GLN B 58 -0.475 4.142 -22.165 1.00 12.40 H new ATOM 0 HG2 GLN B 58 -1.023 1.991 -23.271 1.00 32.30 H new ATOM 0 HG3 GLN B 58 0.023 2.424 -24.608 1.00 32.30 H new ATOM 0 HE21 GLN B 58 2.291 2.462 -24.321 1.00 62.13 H new ATOM 0 HE22 GLN B 58 3.047 1.697 -22.920 1.00 62.13 H new ATOM 2403 N ASP B 59 -3.314 3.021 -23.632 1.00 51.43 N ATOM 2404 CA ASP B 59 -4.553 2.430 -23.088 1.00 0.02 C ATOM 2405 C ASP B 59 -4.489 2.225 -21.592 1.00 65.00 C ATOM 2406 O ASP B 59 -5.492 1.911 -20.978 1.00 20.20 O ATOM 2407 CB ASP B 59 -4.941 1.109 -23.764 1.00 53.32 C ATOM 2408 CG ASP B 59 -5.296 1.249 -25.223 1.00 75.11 C ATOM 2409 OD1 ASP B 59 -4.409 1.077 -26.090 1.00 22.15 O ATOM 2410 OD2 ASP B 59 -6.469 1.520 -25.527 1.00 64.01 O ATOM 0 H ASP B 59 -2.834 2.419 -24.301 1.00 51.43 H new ATOM 0 HA ASP B 59 -5.327 3.165 -23.311 1.00 0.02 H new ATOM 0 HB2 ASP B 59 -4.113 0.406 -23.668 1.00 53.32 H new ATOM 0 HB3 ASP B 59 -5.790 0.677 -23.234 1.00 53.32 H new ATOM 2415 N ALA B 60 -3.295 2.370 -21.014 1.00 13.44 N ATOM 2416 CA ALA B 60 -3.072 2.202 -19.578 1.00 51.21 C ATOM 2417 C ALA B 60 -4.085 2.988 -18.741 1.00 32.25 C ATOM 2418 O ALA B 60 -4.522 2.507 -17.703 1.00 20.43 O ATOM 2419 CB ALA B 60 -1.664 2.618 -19.214 1.00 5.34 C ATOM 0 H ALA B 60 -2.450 2.609 -21.533 1.00 13.44 H new ATOM 0 HA ALA B 60 -3.209 1.145 -19.351 1.00 51.21 H new ATOM 0 HB1 ALA B 60 -1.512 2.488 -18.143 1.00 5.34 H new ATOM 0 HB2 ALA B 60 -0.950 2.001 -19.760 1.00 5.34 H new ATOM 0 HB3 ALA B 60 -1.514 3.665 -19.477 1.00 5.34 H new ATOM 2425 N ARG B 61 -4.481 4.180 -19.219 1.00 40.33 N ATOM 2426 CA ARG B 61 -5.484 4.998 -18.519 1.00 54.13 C ATOM 2427 C ARG B 61 -6.820 4.259 -18.401 1.00 44.24 C ATOM 2428 O ARG B 61 -7.541 4.419 -17.438 1.00 20.25 O ATOM 2429 CB ARG B 61 -5.625 6.426 -19.159 1.00 73.30 C ATOM 2430 CG ARG B 61 -6.026 6.493 -20.652 1.00 14.01 C ATOM 2431 CD ARG B 61 -7.481 6.129 -20.903 1.00 1.42 C ATOM 2432 NE ARG B 61 -7.799 6.036 -22.328 1.00 33.40 N ATOM 2433 CZ ARG B 61 -9.011 5.726 -22.818 1.00 3.20 C ATOM 2434 NH1 ARG B 61 -10.064 5.609 -21.998 1.00 63.53 N ATOM 2435 NH2 ARG B 61 -9.167 5.555 -24.125 1.00 40.14 N ATOM 0 H ARG B 61 -4.125 4.595 -20.080 1.00 40.33 H new ATOM 0 HA ARG B 61 -5.130 5.162 -17.501 1.00 54.13 H new ATOM 0 HB2 ARG B 61 -6.366 6.982 -18.585 1.00 73.30 H new ATOM 0 HB3 ARG B 61 -4.674 6.945 -19.041 1.00 73.30 H new ATOM 0 HG2 ARG B 61 -5.842 7.500 -21.025 1.00 14.01 H new ATOM 0 HG3 ARG B 61 -5.387 5.819 -21.223 1.00 14.01 H new ATOM 0 HD2 ARG B 61 -7.702 5.176 -20.422 1.00 1.42 H new ATOM 0 HD3 ARG B 61 -8.124 6.877 -20.439 1.00 1.42 H new ATOM 0 HE ARG B 61 -7.049 6.219 -22.995 1.00 33.40 H new ATOM 0 HH11 ARG B 61 -9.948 5.756 -20.995 1.00 63.53 H new ATOM 0 HH12 ARG B 61 -10.981 5.373 -22.376 1.00 63.53 H new ATOM 0 HH21 ARG B 61 -8.369 5.659 -24.752 1.00 40.14 H new ATOM 0 HH22 ARG B 61 -10.085 5.320 -24.503 1.00 40.14 H new ATOM 2449 N ASN B 62 -7.131 3.474 -19.414 1.00 53.04 N ATOM 2450 CA ASN B 62 -8.335 2.652 -19.461 1.00 75.05 C ATOM 2451 C ASN B 62 -8.125 1.424 -18.587 1.00 4.24 C ATOM 2452 O ASN B 62 -8.950 1.085 -17.756 1.00 2.54 O ATOM 2453 CB ASN B 62 -8.613 2.217 -20.932 1.00 44.52 C ATOM 2454 CG ASN B 62 -9.909 1.412 -21.136 1.00 70.53 C ATOM 2455 OD1 ASN B 62 -10.361 0.673 -20.263 1.00 73.31 O ATOM 2456 ND2 ASN B 62 -10.503 1.540 -22.299 1.00 24.45 N ATOM 0 H ASN B 62 -6.546 3.385 -20.245 1.00 53.04 H new ATOM 0 HA ASN B 62 -9.190 3.221 -19.094 1.00 75.05 H new ATOM 0 HB2 ASN B 62 -8.654 3.109 -21.558 1.00 44.52 H new ATOM 0 HB3 ASN B 62 -7.772 1.619 -21.284 1.00 44.52 H new ATOM 0 HD21 ASN B 62 -11.359 1.020 -22.495 1.00 24.45 H new ATOM 0 HD22 ASN B 62 -10.109 2.159 -23.007 1.00 24.45 H new ATOM 2463 N LEU B 63 -6.983 0.789 -18.785 1.00 22.11 N ATOM 2464 CA LEU B 63 -6.621 -0.467 -18.124 1.00 41.01 C ATOM 2465 C LEU B 63 -6.636 -0.355 -16.604 1.00 34.20 C ATOM 2466 O LEU B 63 -7.166 -1.226 -15.914 1.00 4.45 O ATOM 2467 CB LEU B 63 -5.252 -0.925 -18.617 1.00 1.12 C ATOM 2468 CG LEU B 63 -5.135 -1.139 -20.134 1.00 72.11 C ATOM 2469 CD1 LEU B 63 -3.714 -1.493 -20.528 1.00 55.14 C ATOM 2470 CD2 LEU B 63 -6.109 -2.209 -20.612 1.00 74.33 C ATOM 0 H LEU B 63 -6.263 1.133 -19.421 1.00 22.11 H new ATOM 0 HA LEU B 63 -7.375 -1.209 -18.386 1.00 41.01 H new ATOM 0 HB2 LEU B 63 -4.510 -0.187 -18.313 1.00 1.12 H new ATOM 0 HB3 LEU B 63 -4.998 -1.858 -18.115 1.00 1.12 H new ATOM 0 HG LEU B 63 -5.396 -0.200 -20.622 1.00 72.11 H new ATOM 0 HD11 LEU B 63 -3.661 -1.639 -21.607 1.00 55.14 H new ATOM 0 HD12 LEU B 63 -3.044 -0.684 -20.238 1.00 55.14 H new ATOM 0 HD13 LEU B 63 -3.414 -2.411 -20.023 1.00 55.14 H new ATOM 0 HD21 LEU B 63 -6.005 -2.340 -21.689 1.00 74.33 H new ATOM 0 HD22 LEU B 63 -5.890 -3.151 -20.109 1.00 74.33 H new ATOM 0 HD23 LEU B 63 -7.129 -1.902 -20.381 1.00 74.33 H new ATOM 2482 N ILE B 64 -6.088 0.724 -16.091 1.00 21.21 N ATOM 2483 CA ILE B 64 -6.029 0.940 -14.651 1.00 71.45 C ATOM 2484 C ILE B 64 -7.433 1.276 -14.117 1.00 32.43 C ATOM 2485 O ILE B 64 -7.791 0.939 -12.997 1.00 75.34 O ATOM 2486 CB ILE B 64 -5.041 2.102 -14.309 1.00 1.14 C ATOM 2487 CG1 ILE B 64 -4.777 2.169 -12.799 1.00 44.34 C ATOM 2488 CG2 ILE B 64 -5.602 3.450 -14.815 1.00 31.23 C ATOM 2489 CD1 ILE B 64 -3.725 3.189 -12.410 1.00 63.43 C ATOM 0 H ILE B 64 -5.674 1.472 -16.647 1.00 21.21 H new ATOM 0 HA ILE B 64 -5.669 0.027 -14.177 1.00 71.45 H new ATOM 0 HB ILE B 64 -4.095 1.904 -14.812 1.00 1.14 H new ATOM 0 HG12 ILE B 64 -5.709 2.407 -12.286 1.00 44.34 H new ATOM 0 HG13 ILE B 64 -4.464 1.185 -12.450 1.00 44.34 H new ATOM 0 HG21 ILE B 64 -4.903 4.250 -14.570 1.00 31.23 H new ATOM 0 HG22 ILE B 64 -5.737 3.405 -15.896 1.00 31.23 H new ATOM 0 HG23 ILE B 64 -6.562 3.647 -14.337 1.00 31.23 H new ATOM 0 HD11 ILE B 64 -3.592 3.180 -11.328 1.00 63.43 H new ATOM 0 HD12 ILE B 64 -2.781 2.940 -12.894 1.00 63.43 H new ATOM 0 HD13 ILE B 64 -4.045 4.181 -12.728 1.00 63.43 H new ATOM 2501 N ARG B 65 -8.228 1.862 -14.997 1.00 32.15 N ATOM 2502 CA ARG B 65 -9.545 2.387 -14.694 1.00 14.30 C ATOM 2503 C ARG B 65 -10.554 1.220 -14.667 1.00 70.13 C ATOM 2504 O ARG B 65 -11.691 1.349 -14.203 1.00 35.12 O ATOM 2505 CB ARG B 65 -9.845 3.441 -15.793 1.00 72.21 C ATOM 2506 CG ARG B 65 -10.982 4.431 -15.580 1.00 71.44 C ATOM 2507 CD ARG B 65 -12.339 3.811 -15.655 1.00 42.04 C ATOM 2508 NE ARG B 65 -13.401 4.820 -15.542 1.00 72.41 N ATOM 2509 CZ ARG B 65 -14.644 4.688 -16.015 1.00 13.35 C ATOM 2510 NH1 ARG B 65 -14.998 3.583 -16.683 1.00 24.41 N ATOM 2511 NH2 ARG B 65 -15.536 5.671 -15.831 1.00 40.54 N ATOM 0 H ARG B 65 -7.963 1.988 -15.974 1.00 32.15 H new ATOM 0 HA ARG B 65 -9.611 2.864 -13.716 1.00 14.30 H new ATOM 0 HB2 ARG B 65 -8.934 4.017 -15.953 1.00 72.21 H new ATOM 0 HB3 ARG B 65 -10.048 2.902 -16.718 1.00 72.21 H new ATOM 0 HG2 ARG B 65 -10.862 4.905 -14.606 1.00 71.44 H new ATOM 0 HG3 ARG B 65 -10.911 5.220 -16.329 1.00 71.44 H new ATOM 0 HD2 ARG B 65 -12.444 3.276 -16.599 1.00 42.04 H new ATOM 0 HD3 ARG B 65 -12.448 3.076 -14.858 1.00 42.04 H new ATOM 0 HE ARG B 65 -13.171 5.691 -15.064 1.00 72.41 H new ATOM 0 HH11 ARG B 65 -14.318 2.838 -16.833 1.00 24.41 H new ATOM 0 HH12 ARG B 65 -15.948 3.486 -17.042 1.00 24.41 H new ATOM 0 HH21 ARG B 65 -15.266 6.518 -15.331 1.00 40.54 H new ATOM 0 HH22 ARG B 65 -16.485 5.572 -16.191 1.00 40.54 H new ATOM 2525 N ARG B 66 -10.090 0.062 -15.126 1.00 3.32 N ATOM 2526 CA ARG B 66 -10.882 -1.160 -15.114 1.00 1.41 C ATOM 2527 C ARG B 66 -10.903 -1.723 -13.703 1.00 0.22 C ATOM 2528 O ARG B 66 -11.639 -2.662 -13.395 1.00 75.24 O ATOM 2529 CB ARG B 66 -10.279 -2.191 -16.067 1.00 25.33 C ATOM 2530 CG ARG B 66 -10.257 -1.761 -17.523 1.00 2.42 C ATOM 2531 CD ARG B 66 -9.562 -2.793 -18.392 1.00 30.03 C ATOM 2532 NE ARG B 66 -10.228 -4.088 -18.353 1.00 0.31 N ATOM 2533 CZ ARG B 66 -9.717 -5.225 -18.833 1.00 21.31 C ATOM 2534 NH1 ARG B 66 -8.497 -5.245 -19.375 1.00 45.51 N ATOM 2535 NH2 ARG B 66 -10.420 -6.331 -18.763 1.00 11.22 N ATOM 0 H ARG B 66 -9.155 -0.054 -15.516 1.00 3.32 H new ATOM 0 HA ARG B 66 -11.897 -0.934 -15.440 1.00 1.41 H new ATOM 0 HB2 ARG B 66 -9.259 -2.409 -15.750 1.00 25.33 H new ATOM 0 HB3 ARG B 66 -10.844 -3.119 -15.983 1.00 25.33 H new ATOM 0 HG2 ARG B 66 -11.278 -1.613 -17.876 1.00 2.42 H new ATOM 0 HG3 ARG B 66 -9.746 -0.802 -17.614 1.00 2.42 H new ATOM 0 HD2 ARG B 66 -9.529 -2.435 -19.421 1.00 30.03 H new ATOM 0 HD3 ARG B 66 -8.530 -2.908 -18.061 1.00 30.03 H new ATOM 0 HE ARG B 66 -11.154 -4.130 -17.927 1.00 0.31 H new ATOM 0 HH11 ARG B 66 -7.947 -4.387 -19.425 1.00 45.51 H new ATOM 0 HH12 ARG B 66 -8.115 -6.118 -19.739 1.00 45.51 H new ATOM 0 HH21 ARG B 66 -11.350 -6.319 -18.344 1.00 11.22 H new ATOM 0 HH22 ARG B 66 -10.036 -7.203 -19.127 1.00 11.22 H new ATOM 2549 N HIS B 67 -10.077 -1.143 -12.862 1.00 63.15 N ATOM 2550 CA HIS B 67 -9.992 -1.490 -11.473 1.00 21.11 C ATOM 2551 C HIS B 67 -10.342 -0.240 -10.685 1.00 14.31 C ATOM 2552 O HIS B 67 -10.428 0.851 -11.258 1.00 43.44 O ATOM 2553 CB HIS B 67 -8.566 -1.979 -11.102 1.00 30.35 C ATOM 2554 CG HIS B 67 -8.101 -3.213 -11.844 1.00 33.11 C ATOM 2555 ND1 HIS B 67 -7.947 -4.455 -11.256 1.00 52.40 N ATOM 2556 CD2 HIS B 67 -7.722 -3.377 -13.135 1.00 60.52 C ATOM 2557 CE1 HIS B 67 -7.500 -5.307 -12.152 1.00 42.00 C ATOM 2558 NE2 HIS B 67 -7.359 -4.682 -13.291 1.00 51.11 N ATOM 0 H HIS B 67 -9.434 -0.401 -13.137 1.00 63.15 H new ATOM 0 HA HIS B 67 -10.677 -2.307 -11.244 1.00 21.11 H new ATOM 0 HB2 HIS B 67 -7.860 -1.171 -11.293 1.00 30.35 H new ATOM 0 HB3 HIS B 67 -8.535 -2.183 -10.032 1.00 30.35 H new ATOM 0 HD1 HIS B 67 -8.148 -4.675 -10.281 1.00 52.40 H new ATOM 0 HD2 HIS B 67 -7.710 -2.614 -13.900 1.00 60.52 H new ATOM 0 HE1 HIS B 67 -7.285 -6.351 -11.976 1.00 42.00 H new ATOM 2567 N GLU B 68 -10.558 -0.381 -9.413 1.00 73.22 N ATOM 2568 CA GLU B 68 -10.900 0.751 -8.587 1.00 54.44 C ATOM 2569 C GLU B 68 -9.634 1.384 -8.006 1.00 1.33 C ATOM 2570 O GLU B 68 -9.080 2.305 -8.593 1.00 75.14 O ATOM 2571 CB GLU B 68 -11.841 0.326 -7.492 1.00 43.11 C ATOM 2572 CG GLU B 68 -13.127 -0.299 -7.980 1.00 43.25 C ATOM 2573 CD GLU B 68 -13.946 -0.801 -6.841 1.00 34.14 C ATOM 2574 OE1 GLU B 68 -13.750 -1.964 -6.429 1.00 1.12 O ATOM 2575 OE2 GLU B 68 -14.770 -0.042 -6.305 1.00 4.11 O ATOM 0 H GLU B 68 -10.505 -1.270 -8.917 1.00 73.22 H new ATOM 0 HA GLU B 68 -11.403 1.499 -9.199 1.00 54.44 H new ATOM 0 HB2 GLU B 68 -11.328 -0.386 -6.845 1.00 43.11 H new ATOM 0 HB3 GLU B 68 -12.083 1.195 -6.880 1.00 43.11 H new ATOM 0 HG2 GLU B 68 -13.699 0.435 -8.547 1.00 43.25 H new ATOM 0 HG3 GLU B 68 -12.901 -1.121 -8.659 1.00 43.25 H new ATOM 2582 N ARG B 69 -9.163 0.857 -6.859 1.00 31.25 N ATOM 2583 CA ARG B 69 -7.884 1.283 -6.270 1.00 63.01 C ATOM 2584 C ARG B 69 -7.484 0.450 -5.061 1.00 31.03 C ATOM 2585 O ARG B 69 -6.306 0.183 -4.849 1.00 45.13 O ATOM 2586 CB ARG B 69 -7.731 2.827 -5.971 1.00 3.45 C ATOM 2587 CG ARG B 69 -8.565 3.524 -4.844 1.00 54.12 C ATOM 2588 CD ARG B 69 -10.074 3.684 -5.111 1.00 14.33 C ATOM 2589 NE ARG B 69 -10.874 2.500 -4.774 1.00 13.23 N ATOM 2590 CZ ARG B 69 -12.215 2.408 -4.935 1.00 72.40 C ATOM 2591 NH1 ARG B 69 -12.901 3.396 -5.503 1.00 73.12 N ATOM 2592 NH2 ARG B 69 -12.844 1.319 -4.530 1.00 73.22 N ATOM 0 H ARG B 69 -9.650 0.137 -6.325 1.00 31.25 H new ATOM 0 HA ARG B 69 -7.178 1.089 -7.078 1.00 63.01 H new ATOM 0 HB2 ARG B 69 -6.680 3.004 -5.744 1.00 3.45 H new ATOM 0 HB3 ARG B 69 -7.950 3.354 -6.900 1.00 3.45 H new ATOM 0 HG2 ARG B 69 -8.439 2.954 -3.923 1.00 54.12 H new ATOM 0 HG3 ARG B 69 -8.142 4.513 -4.667 1.00 54.12 H new ATOM 0 HD2 ARG B 69 -10.445 4.534 -4.538 1.00 14.33 H new ATOM 0 HD3 ARG B 69 -10.222 3.921 -6.165 1.00 14.33 H new ATOM 0 HE ARG B 69 -10.385 1.690 -4.392 1.00 13.23 H new ATOM 0 HH11 ARG B 69 -12.417 4.235 -5.823 1.00 73.12 H new ATOM 0 HH12 ARG B 69 -13.911 3.315 -5.619 1.00 73.12 H new ATOM 0 HH21 ARG B 69 -12.319 0.557 -4.100 1.00 73.22 H new ATOM 0 HH22 ARG B 69 -13.854 1.240 -4.647 1.00 73.22 H new ATOM 2606 N ASP B 70 -8.460 0.002 -4.305 1.00 25.25 N ATOM 2607 CA ASP B 70 -8.194 -0.756 -3.079 1.00 55.13 C ATOM 2608 C ASP B 70 -7.665 -2.154 -3.368 1.00 44.32 C ATOM 2609 O ASP B 70 -6.729 -2.594 -2.713 1.00 53.41 O ATOM 2610 CB ASP B 70 -9.423 -0.776 -2.158 1.00 72.51 C ATOM 2611 CG ASP B 70 -10.652 -1.291 -2.842 1.00 22.51 C ATOM 2612 OD1 ASP B 70 -11.186 -0.573 -3.716 1.00 61.22 O ATOM 2613 OD2 ASP B 70 -11.118 -2.392 -2.521 1.00 22.32 O ATOM 0 H ASP B 70 -9.450 0.143 -4.508 1.00 25.25 H new ATOM 0 HA ASP B 70 -7.399 -0.237 -2.544 1.00 55.13 H new ATOM 0 HB2 ASP B 70 -9.209 -1.397 -1.288 1.00 72.51 H new ATOM 0 HB3 ASP B 70 -9.613 0.233 -1.791 1.00 72.51 H new ATOM 2618 N GLU B 71 -8.233 -2.825 -4.379 1.00 1.43 N ATOM 2619 CA GLU B 71 -7.769 -4.169 -4.807 1.00 70.22 C ATOM 2620 C GLU B 71 -6.263 -4.136 -5.096 1.00 63.44 C ATOM 2621 O GLU B 71 -5.501 -5.032 -4.695 1.00 52.44 O ATOM 2622 CB GLU B 71 -8.490 -4.568 -6.096 1.00 13.32 C ATOM 2623 CG GLU B 71 -8.073 -5.916 -6.663 1.00 42.25 C ATOM 2624 CD GLU B 71 -8.633 -6.155 -8.042 1.00 72.00 C ATOM 2625 OE1 GLU B 71 -7.927 -5.885 -9.027 1.00 42.30 O ATOM 2626 OE2 GLU B 71 -9.784 -6.609 -8.167 1.00 4.22 O ATOM 0 H GLU B 71 -9.017 -2.465 -4.923 1.00 1.43 H new ATOM 0 HA GLU B 71 -7.981 -4.883 -4.011 1.00 70.22 H new ATOM 0 HB2 GLU B 71 -9.563 -4.585 -5.906 1.00 13.32 H new ATOM 0 HB3 GLU B 71 -8.311 -3.801 -6.849 1.00 13.32 H new ATOM 0 HG2 GLU B 71 -6.985 -5.971 -6.701 1.00 42.25 H new ATOM 0 HG3 GLU B 71 -8.409 -6.709 -5.994 1.00 42.25 H new ATOM 2633 N ILE B 72 -5.858 -3.082 -5.783 1.00 2.23 N ATOM 2634 CA ILE B 72 -4.487 -2.884 -6.183 1.00 51.41 C ATOM 2635 C ILE B 72 -3.602 -2.679 -4.964 1.00 13.44 C ATOM 2636 O ILE B 72 -2.570 -3.332 -4.817 1.00 1.33 O ATOM 2637 CB ILE B 72 -4.363 -1.650 -7.126 1.00 24.04 C ATOM 2638 CG1 ILE B 72 -5.268 -1.825 -8.359 1.00 12.44 C ATOM 2639 CG2 ILE B 72 -2.906 -1.436 -7.553 1.00 30.44 C ATOM 2640 CD1 ILE B 72 -5.253 -0.643 -9.315 1.00 44.44 C ATOM 0 H ILE B 72 -6.484 -2.334 -6.080 1.00 2.23 H new ATOM 0 HA ILE B 72 -4.160 -3.776 -6.718 1.00 51.41 H new ATOM 0 HB ILE B 72 -4.689 -0.766 -6.579 1.00 24.04 H new ATOM 0 HG12 ILE B 72 -4.958 -2.719 -8.900 1.00 12.44 H new ATOM 0 HG13 ILE B 72 -6.291 -1.994 -8.024 1.00 12.44 H new ATOM 0 HG21 ILE B 72 -2.843 -0.569 -8.211 1.00 30.44 H new ATOM 0 HG22 ILE B 72 -2.289 -1.267 -6.670 1.00 30.44 H new ATOM 0 HG23 ILE B 72 -2.548 -2.319 -8.082 1.00 30.44 H new ATOM 0 HD11 ILE B 72 -5.916 -0.847 -10.156 1.00 44.44 H new ATOM 0 HD12 ILE B 72 -5.593 0.251 -8.793 1.00 44.44 H new ATOM 0 HD13 ILE B 72 -4.239 -0.485 -9.682 1.00 44.44 H new ATOM 2652 N MET B 73 -4.039 -1.804 -4.074 1.00 33.34 N ATOM 2653 CA MET B 73 -3.256 -1.424 -2.906 1.00 20.33 C ATOM 2654 C MET B 73 -3.055 -2.633 -1.977 1.00 45.14 C ATOM 2655 O MET B 73 -1.947 -2.845 -1.451 1.00 75.35 O ATOM 2656 CB MET B 73 -3.938 -0.249 -2.176 1.00 31.14 C ATOM 2657 CG MET B 73 -3.044 0.541 -1.203 1.00 43.13 C ATOM 2658 SD MET B 73 -2.446 -0.402 0.202 1.00 45.24 S ATOM 2659 CE MET B 73 -1.460 0.825 1.018 1.00 55.23 C ATOM 0 H MET B 73 -4.944 -1.337 -4.139 1.00 33.34 H new ATOM 0 HA MET B 73 -2.268 -1.092 -3.226 1.00 20.33 H new ATOM 0 HB2 MET B 73 -4.329 0.441 -2.923 1.00 31.14 H new ATOM 0 HB3 MET B 73 -4.793 -0.636 -1.622 1.00 31.14 H new ATOM 0 HG2 MET B 73 -2.187 0.930 -1.753 1.00 43.13 H new ATOM 0 HG3 MET B 73 -3.603 1.401 -0.834 1.00 43.13 H new ATOM 0 HE1 MET B 73 -0.439 0.459 1.125 1.00 55.23 H new ATOM 0 HE2 MET B 73 -1.457 1.741 0.427 1.00 55.23 H new ATOM 0 HE3 MET B 73 -1.877 1.030 2.004 1.00 55.23 H new ATOM 2669 N GLU B 74 -4.108 -3.448 -1.808 1.00 43.54 N ATOM 2670 CA GLU B 74 -4.013 -4.655 -0.976 1.00 43.20 C ATOM 2671 C GLU B 74 -2.912 -5.554 -1.494 1.00 11.24 C ATOM 2672 O GLU B 74 -2.089 -6.061 -0.726 1.00 65.40 O ATOM 2673 CB GLU B 74 -5.316 -5.462 -0.991 1.00 33.34 C ATOM 2674 CG GLU B 74 -6.537 -4.770 -0.432 1.00 55.21 C ATOM 2675 CD GLU B 74 -7.741 -5.682 -0.465 1.00 1.00 C ATOM 2676 OE1 GLU B 74 -8.426 -5.747 -1.517 1.00 25.41 O ATOM 2677 OE2 GLU B 74 -8.005 -6.373 0.537 1.00 42.15 O ATOM 0 H GLU B 74 -5.024 -3.295 -2.231 1.00 43.54 H new ATOM 0 HA GLU B 74 -3.806 -4.324 0.042 1.00 43.20 H new ATOM 0 HB2 GLU B 74 -5.528 -5.751 -2.020 1.00 33.34 H new ATOM 0 HB3 GLU B 74 -5.156 -6.381 -0.428 1.00 33.34 H new ATOM 0 HG2 GLU B 74 -6.343 -4.455 0.593 1.00 55.21 H new ATOM 0 HG3 GLU B 74 -6.744 -3.868 -1.008 1.00 55.21 H new ATOM 2684 N GLU B 75 -2.880 -5.718 -2.803 1.00 40.30 N ATOM 2685 CA GLU B 75 -1.944 -6.606 -3.434 1.00 32.55 C ATOM 2686 C GLU B 75 -0.529 -6.049 -3.279 1.00 14.15 C ATOM 2687 O GLU B 75 0.419 -6.801 -3.046 1.00 63.35 O ATOM 2688 CB GLU B 75 -2.272 -6.756 -4.909 1.00 62.11 C ATOM 2689 CG GLU B 75 -1.808 -8.069 -5.506 1.00 73.42 C ATOM 2690 CD GLU B 75 -2.585 -9.232 -4.915 1.00 22.04 C ATOM 2691 OE1 GLU B 75 -2.126 -9.836 -3.929 1.00 15.43 O ATOM 2692 OE2 GLU B 75 -3.695 -9.533 -5.410 1.00 41.34 O ATOM 0 H GLU B 75 -3.504 -5.237 -3.451 1.00 40.30 H new ATOM 0 HA GLU B 75 -2.008 -7.584 -2.957 1.00 32.55 H new ATOM 0 HB2 GLU B 75 -3.350 -6.667 -5.043 1.00 62.11 H new ATOM 0 HB3 GLU B 75 -1.813 -5.935 -5.459 1.00 62.11 H new ATOM 0 HG2 GLU B 75 -1.940 -8.049 -6.588 1.00 73.42 H new ATOM 0 HG3 GLU B 75 -0.743 -8.204 -5.318 1.00 73.42 H new ATOM 2699 N LEU B 76 -0.407 -4.714 -3.396 1.00 30.11 N ATOM 2700 CA LEU B 76 0.882 -4.028 -3.253 1.00 52.40 C ATOM 2701 C LEU B 76 1.472 -4.307 -1.887 1.00 24.24 C ATOM 2702 O LEU B 76 2.630 -4.713 -1.777 1.00 12.51 O ATOM 2703 CB LEU B 76 0.734 -2.499 -3.420 1.00 60.43 C ATOM 2704 CG LEU B 76 0.176 -1.976 -4.748 1.00 74.40 C ATOM 2705 CD1 LEU B 76 0.120 -0.457 -4.734 1.00 13.51 C ATOM 2706 CD2 LEU B 76 1.004 -2.460 -5.919 1.00 4.24 C ATOM 0 H LEU B 76 -1.191 -4.091 -3.590 1.00 30.11 H new ATOM 0 HA LEU B 76 1.539 -4.407 -4.036 1.00 52.40 H new ATOM 0 HB2 LEU B 76 0.090 -2.135 -2.620 1.00 60.43 H new ATOM 0 HB3 LEU B 76 1.715 -2.049 -3.269 1.00 60.43 H new ATOM 0 HG LEU B 76 -0.835 -2.367 -4.866 1.00 74.40 H new ATOM 0 HD11 LEU B 76 -0.278 -0.099 -5.683 1.00 13.51 H new ATOM 0 HD12 LEU B 76 -0.525 -0.124 -3.921 1.00 13.51 H new ATOM 0 HD13 LEU B 76 1.123 -0.057 -4.588 1.00 13.51 H new ATOM 0 HD21 LEU B 76 0.583 -2.073 -6.847 1.00 4.24 H new ATOM 0 HD22 LEU B 76 2.029 -2.107 -5.810 1.00 4.24 H new ATOM 0 HD23 LEU B 76 0.996 -3.550 -5.944 1.00 4.24 H new ATOM 2718 N THR B 77 0.655 -4.118 -0.853 1.00 72.32 N ATOM 2719 CA THR B 77 1.079 -4.326 0.513 1.00 3.11 C ATOM 2720 C THR B 77 1.535 -5.791 0.743 1.00 25.45 C ATOM 2721 O THR B 77 2.588 -6.042 1.349 1.00 3.43 O ATOM 2722 CB THR B 77 -0.077 -3.957 1.469 1.00 45.22 C ATOM 2723 OG1 THR B 77 -0.477 -2.601 1.211 1.00 10.32 O ATOM 2724 CG2 THR B 77 0.345 -4.074 2.925 1.00 25.14 C ATOM 0 H THR B 77 -0.315 -3.817 -0.947 1.00 72.32 H new ATOM 0 HA THR B 77 1.935 -3.683 0.717 1.00 3.11 H new ATOM 0 HB THR B 77 -0.901 -4.649 1.293 1.00 45.22 H new ATOM 0 HG1 THR B 77 -1.072 -2.578 0.433 1.00 10.32 H new ATOM 0 HG21 THR B 77 -0.493 -3.807 3.569 1.00 25.14 H new ATOM 0 HG22 THR B 77 0.651 -5.099 3.134 1.00 25.14 H new ATOM 0 HG23 THR B 77 1.180 -3.400 3.117 1.00 25.14 H new ATOM 2732 N LYS B 78 0.761 -6.733 0.221 1.00 3.10 N ATOM 2733 CA LYS B 78 1.056 -8.153 0.371 1.00 60.12 C ATOM 2734 C LYS B 78 2.321 -8.549 -0.360 1.00 62.32 C ATOM 2735 O LYS B 78 3.201 -9.169 0.208 1.00 45.12 O ATOM 2736 CB LYS B 78 -0.108 -8.994 -0.130 1.00 22.23 C ATOM 2737 CG LYS B 78 -1.367 -8.800 0.667 1.00 60.34 C ATOM 2738 CD LYS B 78 -2.549 -9.567 0.095 1.00 61.41 C ATOM 2739 CE LYS B 78 -2.313 -11.068 0.093 1.00 74.12 C ATOM 2740 NZ LYS B 78 -3.463 -11.810 -0.448 1.00 25.32 N ATOM 0 H LYS B 78 -0.084 -6.537 -0.315 1.00 3.10 H new ATOM 0 HA LYS B 78 1.209 -8.338 1.434 1.00 60.12 H new ATOM 0 HB2 LYS B 78 -0.304 -8.746 -1.173 1.00 22.23 H new ATOM 0 HB3 LYS B 78 0.174 -10.046 -0.101 1.00 22.23 H new ATOM 0 HG2 LYS B 78 -1.194 -9.120 1.694 1.00 60.34 H new ATOM 0 HG3 LYS B 78 -1.610 -7.738 0.701 1.00 60.34 H new ATOM 0 HD2 LYS B 78 -3.442 -9.342 0.678 1.00 61.41 H new ATOM 0 HD3 LYS B 78 -2.740 -9.230 -0.924 1.00 61.41 H new ATOM 0 HE2 LYS B 78 -1.426 -11.294 -0.499 1.00 74.12 H new ATOM 0 HE3 LYS B 78 -2.112 -11.404 1.110 1.00 74.12 H new ATOM 0 HZ1 LYS B 78 -3.258 -12.829 -0.430 1.00 25.32 H new ATOM 0 HZ2 LYS B 78 -4.305 -11.616 0.131 1.00 25.32 H new ATOM 0 HZ3 LYS B 78 -3.640 -11.510 -1.428 1.00 25.32 H new ATOM 2754 N TYR B 79 2.406 -8.165 -1.601 1.00 64.20 N ATOM 2755 CA TYR B 79 3.513 -8.540 -2.464 1.00 14.33 C ATOM 2756 C TYR B 79 4.830 -7.941 -1.954 1.00 74.34 C ATOM 2757 O TYR B 79 5.898 -8.578 -2.039 1.00 63.34 O ATOM 2758 CB TYR B 79 3.208 -8.063 -3.874 1.00 72.12 C ATOM 2759 CG TYR B 79 4.135 -8.545 -4.966 1.00 34.22 C ATOM 2760 CD1 TYR B 79 3.741 -9.567 -5.806 1.00 35.24 C ATOM 2761 CD2 TYR B 79 5.367 -7.951 -5.188 1.00 25.12 C ATOM 2762 CE1 TYR B 79 4.548 -9.997 -6.831 1.00 23.12 C ATOM 2763 CE2 TYR B 79 6.182 -8.370 -6.224 1.00 5.52 C ATOM 2764 CZ TYR B 79 5.764 -9.399 -7.043 1.00 62.13 C ATOM 2765 OH TYR B 79 6.557 -9.822 -8.091 1.00 53.41 O ATOM 0 H TYR B 79 1.708 -7.577 -2.056 1.00 64.20 H new ATOM 0 HA TYR B 79 3.630 -9.624 -2.462 1.00 14.33 H new ATOM 0 HB2 TYR B 79 2.194 -8.373 -4.127 1.00 72.12 H new ATOM 0 HB3 TYR B 79 3.218 -6.973 -3.875 1.00 72.12 H new ATOM 0 HD1 TYR B 79 2.781 -10.037 -5.655 1.00 35.24 H new ATOM 0 HD2 TYR B 79 5.696 -7.150 -4.543 1.00 25.12 H new ATOM 0 HE1 TYR B 79 4.225 -10.806 -7.470 1.00 23.12 H new ATOM 0 HE2 TYR B 79 7.138 -7.896 -6.391 1.00 5.52 H new ATOM 0 HH TYR B 79 7.385 -9.298 -8.107 1.00 53.41 H new ATOM 2775 N TYR B 80 4.751 -6.731 -1.424 1.00 40.13 N ATOM 2776 CA TYR B 80 5.906 -6.047 -0.863 1.00 71.52 C ATOM 2777 C TYR B 80 6.476 -6.873 0.288 1.00 11.32 C ATOM 2778 O TYR B 80 7.670 -7.203 0.317 1.00 35.21 O ATOM 2779 CB TYR B 80 5.481 -4.655 -0.361 1.00 24.53 C ATOM 2780 CG TYR B 80 6.600 -3.785 0.183 1.00 0.23 C ATOM 2781 CD1 TYR B 80 7.313 -2.951 -0.656 1.00 43.25 C ATOM 2782 CD2 TYR B 80 6.932 -3.791 1.533 1.00 63.14 C ATOM 2783 CE1 TYR B 80 8.325 -2.143 -0.174 1.00 14.52 C ATOM 2784 CE2 TYR B 80 7.945 -2.986 2.024 1.00 74.52 C ATOM 2785 CZ TYR B 80 8.638 -2.165 1.163 1.00 74.35 C ATOM 2786 OH TYR B 80 9.656 -1.357 1.643 1.00 23.41 O ATOM 0 H TYR B 80 3.885 -6.195 -1.370 1.00 40.13 H new ATOM 0 HA TYR B 80 6.674 -5.929 -1.628 1.00 71.52 H new ATOM 0 HB2 TYR B 80 4.998 -4.124 -1.182 1.00 24.53 H new ATOM 0 HB3 TYR B 80 4.732 -4.783 0.420 1.00 24.53 H new ATOM 0 HD1 TYR B 80 7.075 -2.930 -1.709 1.00 43.25 H new ATOM 0 HD2 TYR B 80 6.390 -4.435 2.210 1.00 63.14 H new ATOM 0 HE1 TYR B 80 8.868 -1.496 -0.847 1.00 14.52 H new ATOM 0 HE2 TYR B 80 8.190 -3.002 3.076 1.00 74.52 H new ATOM 0 HH TYR B 80 9.598 -1.304 2.620 1.00 23.41 H new ATOM 2796 N LEU B 81 5.605 -7.236 1.205 1.00 23.15 N ATOM 2797 CA LEU B 81 5.991 -7.988 2.380 1.00 42.25 C ATOM 2798 C LEU B 81 6.321 -9.442 2.049 1.00 14.35 C ATOM 2799 O LEU B 81 7.106 -10.082 2.759 1.00 43.43 O ATOM 2800 CB LEU B 81 4.917 -7.889 3.456 1.00 22.33 C ATOM 2801 CG LEU B 81 4.652 -6.486 4.016 1.00 11.31 C ATOM 2802 CD1 LEU B 81 3.530 -6.523 5.041 1.00 3.23 C ATOM 2803 CD2 LEU B 81 5.919 -5.902 4.635 1.00 53.05 C ATOM 0 H LEU B 81 4.610 -7.018 1.157 1.00 23.15 H new ATOM 0 HA LEU B 81 6.906 -7.543 2.770 1.00 42.25 H new ATOM 0 HB2 LEU B 81 3.984 -8.277 3.047 1.00 22.33 H new ATOM 0 HB3 LEU B 81 5.198 -8.541 4.283 1.00 22.33 H new ATOM 0 HG LEU B 81 4.346 -5.843 3.191 1.00 11.31 H new ATOM 0 HD11 LEU B 81 3.357 -5.518 5.427 1.00 3.23 H new ATOM 0 HD12 LEU B 81 2.619 -6.893 4.570 1.00 3.23 H new ATOM 0 HD13 LEU B 81 3.809 -7.184 5.862 1.00 3.23 H new ATOM 0 HD21 LEU B 81 5.708 -4.907 5.026 1.00 53.05 H new ATOM 0 HD22 LEU B 81 6.258 -6.546 5.447 1.00 53.05 H new ATOM 0 HD23 LEU B 81 6.698 -5.836 3.875 1.00 53.05 H new ATOM 2815 N ALA B 82 5.754 -9.955 0.962 1.00 62.34 N ATOM 2816 CA ALA B 82 6.006 -11.328 0.542 1.00 23.41 C ATOM 2817 C ALA B 82 7.461 -11.488 0.165 1.00 4.10 C ATOM 2818 O ALA B 82 8.098 -12.475 0.505 1.00 4.12 O ATOM 2819 CB ALA B 82 5.109 -11.711 -0.624 1.00 44.20 C ATOM 0 H ALA B 82 5.116 -9.439 0.356 1.00 62.34 H new ATOM 0 HA ALA B 82 5.778 -11.995 1.374 1.00 23.41 H new ATOM 0 HB1 ALA B 82 5.316 -12.740 -0.919 1.00 44.20 H new ATOM 0 HB2 ALA B 82 4.065 -11.622 -0.324 1.00 44.20 H new ATOM 0 HB3 ALA B 82 5.303 -11.046 -1.466 1.00 44.20 H new ATOM 2825 N ASN B 83 7.999 -10.479 -0.495 1.00 23.41 N ATOM 2826 CA ASN B 83 9.395 -10.501 -0.912 1.00 65.10 C ATOM 2827 C ASN B 83 10.347 -10.260 0.246 1.00 10.33 C ATOM 2828 O ASN B 83 11.545 -10.536 0.146 1.00 5.25 O ATOM 2829 CB ASN B 83 9.661 -9.568 -2.091 1.00 15.53 C ATOM 2830 CG ASN B 83 9.081 -10.105 -3.386 1.00 55.54 C ATOM 2831 OD1 ASN B 83 9.756 -10.823 -4.123 1.00 64.43 O ATOM 2832 ND2 ASN B 83 7.840 -9.786 -3.672 1.00 62.44 N ATOM 0 H ASN B 83 7.493 -9.632 -0.755 1.00 23.41 H new ATOM 0 HA ASN B 83 9.597 -11.511 -1.268 1.00 65.10 H new ATOM 0 HB2 ASN B 83 9.232 -8.588 -1.881 1.00 15.53 H new ATOM 0 HB3 ASN B 83 10.736 -9.428 -2.206 1.00 15.53 H new ATOM 0 HD21 ASN B 83 7.408 -10.136 -4.527 1.00 62.44 H new ATOM 0 HD22 ASN B 83 7.308 -9.188 -3.039 1.00 62.44 H new ATOM 2839 N HIS B 84 9.813 -9.756 1.357 1.00 0.54 N ATOM 2840 CA HIS B 84 10.596 -9.637 2.587 1.00 13.43 C ATOM 2841 C HIS B 84 10.741 -11.042 3.161 1.00 23.44 C ATOM 2842 O HIS B 84 11.682 -11.336 3.878 1.00 50.34 O ATOM 2843 CB HIS B 84 9.874 -8.721 3.638 1.00 3.23 C ATOM 2844 CG HIS B 84 10.616 -8.492 4.988 1.00 63.32 C ATOM 2845 ND1 HIS B 84 11.352 -9.464 5.648 1.00 33.21 N ATOM 2846 CD2 HIS B 84 10.705 -7.392 5.778 1.00 71.32 C ATOM 2847 CE1 HIS B 84 11.844 -8.981 6.755 1.00 60.52 C ATOM 2848 NE2 HIS B 84 11.477 -7.731 6.869 1.00 24.41 N ATOM 0 H HIS B 84 8.851 -9.426 1.432 1.00 0.54 H new ATOM 0 HA HIS B 84 11.564 -9.186 2.366 1.00 13.43 H new ATOM 0 HB2 HIS B 84 9.696 -7.749 3.178 1.00 3.23 H new ATOM 0 HB3 HIS B 84 8.898 -9.155 3.855 1.00 3.23 H new ATOM 0 HD1 HIS B 84 11.489 -10.419 5.316 1.00 33.21 H new ATOM 0 HD2 HIS B 84 10.254 -6.429 5.587 1.00 71.32 H new ATOM 0 HE1 HIS B 84 12.454 -9.524 7.461 1.00 60.52 H new ATOM 0 HE2 HIS B 84 11.722 -7.109 7.639 1.00 24.41 H new ATOM 2857 N GLY B 85 9.831 -11.914 2.804 1.00 43.01 N ATOM 2858 CA GLY B 85 9.842 -13.208 3.388 1.00 74.32 C ATOM 2859 C GLY B 85 8.756 -13.359 4.418 1.00 71.02 C ATOM 2860 O GLY B 85 8.903 -14.099 5.384 1.00 3.33 O ATOM 0 H GLY B 85 9.091 -11.745 2.123 1.00 43.01 H new ATOM 0 HA2 GLY B 85 9.714 -13.960 2.610 1.00 74.32 H new ATOM 0 HA3 GLY B 85 10.812 -13.391 3.851 1.00 74.32 H new ATOM 2864 N ILE B 86 7.722 -12.583 4.285 1.00 54.15 N ATOM 2865 CA ILE B 86 6.599 -12.710 5.165 1.00 42.52 C ATOM 2866 C ILE B 86 5.499 -13.493 4.465 1.00 25.22 C ATOM 2867 O ILE B 86 5.099 -13.148 3.350 1.00 15.30 O ATOM 2868 CB ILE B 86 6.064 -11.332 5.621 1.00 42.55 C ATOM 2869 CG1 ILE B 86 7.166 -10.562 6.359 1.00 71.23 C ATOM 2870 CG2 ILE B 86 4.832 -11.494 6.512 1.00 41.31 C ATOM 2871 CD1 ILE B 86 6.729 -9.215 6.861 1.00 2.54 C ATOM 0 H ILE B 86 7.633 -11.855 3.576 1.00 54.15 H new ATOM 0 HA ILE B 86 6.926 -13.242 6.058 1.00 42.52 H new ATOM 0 HB ILE B 86 5.767 -10.765 4.739 1.00 42.55 H new ATOM 0 HG12 ILE B 86 7.512 -11.160 7.202 1.00 71.23 H new ATOM 0 HG13 ILE B 86 8.017 -10.432 5.690 1.00 71.23 H new ATOM 0 HG21 ILE B 86 4.474 -10.512 6.820 1.00 41.31 H new ATOM 0 HG22 ILE B 86 4.047 -12.009 5.958 1.00 41.31 H new ATOM 0 HG23 ILE B 86 5.095 -12.077 7.394 1.00 41.31 H new ATOM 0 HD11 ILE B 86 7.561 -8.730 7.372 1.00 2.54 H new ATOM 0 HD12 ILE B 86 6.411 -8.599 6.020 1.00 2.54 H new ATOM 0 HD13 ILE B 86 5.898 -9.338 7.556 1.00 2.54 H new ATOM 2883 N ASP B 87 5.035 -14.542 5.105 1.00 13.11 N ATOM 2884 CA ASP B 87 3.948 -15.345 4.552 1.00 25.22 C ATOM 2885 C ASP B 87 2.638 -14.668 4.799 1.00 51.23 C ATOM 2886 O ASP B 87 2.238 -14.461 5.959 1.00 0.11 O ATOM 2887 CB ASP B 87 3.907 -16.775 5.133 1.00 62.01 C ATOM 2888 CG ASP B 87 4.892 -17.741 4.511 1.00 1.04 C ATOM 2889 OD1 ASP B 87 6.070 -17.723 4.856 1.00 34.24 O ATOM 2890 OD2 ASP B 87 4.458 -18.579 3.682 1.00 1.15 O ATOM 0 H ASP B 87 5.386 -14.865 6.006 1.00 13.11 H new ATOM 0 HA ASP B 87 4.132 -15.434 3.481 1.00 25.22 H new ATOM 0 HB2 ASP B 87 4.099 -16.722 6.205 1.00 62.01 H new ATOM 0 HB3 ASP B 87 2.900 -17.174 5.008 1.00 62.01 H new ATOM 2895 N ILE B 88 1.966 -14.331 3.733 1.00 3.41 N ATOM 2896 CA ILE B 88 0.698 -13.651 3.799 1.00 13.13 C ATOM 2897 C ILE B 88 -0.331 -14.448 3.033 1.00 33.23 C ATOM 2898 O ILE B 88 -0.051 -14.948 1.939 1.00 51.14 O ATOM 2899 CB ILE B 88 0.777 -12.233 3.176 1.00 1.55 C ATOM 2900 CG1 ILE B 88 1.901 -11.420 3.818 1.00 54.41 C ATOM 2901 CG2 ILE B 88 -0.557 -11.506 3.352 1.00 11.31 C ATOM 2902 CD1 ILE B 88 2.057 -10.037 3.243 1.00 24.33 C ATOM 0 H ILE B 88 2.285 -14.522 2.783 1.00 3.41 H new ATOM 0 HA ILE B 88 0.423 -13.557 4.850 1.00 13.13 H new ATOM 0 HB ILE B 88 0.990 -12.338 2.112 1.00 1.55 H new ATOM 0 HG12 ILE B 88 1.712 -11.339 4.888 1.00 54.41 H new ATOM 0 HG13 ILE B 88 2.840 -11.960 3.700 1.00 54.41 H new ATOM 0 HG21 ILE B 88 -0.490 -10.511 2.911 1.00 11.31 H new ATOM 0 HG22 ILE B 88 -1.347 -12.070 2.857 1.00 11.31 H new ATOM 0 HG23 ILE B 88 -0.786 -11.417 4.414 1.00 11.31 H new ATOM 0 HD11 ILE B 88 2.874 -9.522 3.749 1.00 24.33 H new ATOM 0 HD12 ILE B 88 2.278 -10.109 2.178 1.00 24.33 H new ATOM 0 HD13 ILE B 88 1.132 -9.478 3.385 1.00 24.33 H new