USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot -141:sc= 0.599 USER MOD Set 1.2: A 52 HIS : no HD1:sc= 1.02 K(o=1.6,f=-5.7!) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.28 K(o=-0.3,f=-2.3!) USER MOD Set 2.2: A 48 ASN : amide:sc= -0.58 X(o=-0.3,f=-0.087) USER MOD Set 3.1: A 1 MET N :NH3+ 161:sc= 2.47 (180deg=1.08) USER MOD Set 3.2: A 60 ASN : amide:sc= 1.05 K(o=3.5,f=-8.3!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0143 (180deg=-0.312) USER MOD Single : A 6 TYR OH : rot 30:sc= 0.91 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.241 K(o=-0.24,f=-1) USER MOD Single : A 36 TYR OH : rot 30:sc= -0.285 USER MOD Single : A 37 SER OG : rot -36:sc= -0.122 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 71 THR OG1 : rot 24:sc= 1.05 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.436 USER MOD Single : A 79 GLN : amide:sc= -0.865 K(o=-0.87,f=0) USER MOD Single : A 82 GLN : amide:sc= -3.12! K(o=-3.1!,f=-0.97) USER MOD Single : A 83 THR OG1 : rot -52:sc= 1.43 USER MOD Single : A 85 TYR OH : rot -140:sc= 1.2 USER MOD Single : A 87 SER OG : rot 42:sc= 0.0521 USER MOD Single : A 90 MET CE :methyl 159:sc= -0.0276 (180deg=-0.752) USER MOD Single : A 91 TYR OH : rot 175:sc= 0.367 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -4.29! C(o=-4.3!,f=-7.5!) USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= -0.0886 (180deg=-0.397) USER MOD Single : A 105 SER OG : rot 100:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.613 2.008 -13.051 1.00 0.00 N ATOM 2 CA MET A 1 5.537 2.494 -11.653 1.00 0.00 C ATOM 3 C MET A 1 5.115 1.352 -10.729 1.00 0.00 C ATOM 4 O MET A 1 4.568 0.353 -11.193 1.00 0.00 O ATOM 5 CB MET A 1 4.549 3.652 -11.541 1.00 0.00 C ATOM 6 CG MET A 1 4.582 4.343 -10.188 1.00 0.00 C ATOM 7 SD MET A 1 6.234 4.907 -9.735 1.00 0.00 S ATOM 8 CE MET A 1 6.535 6.145 -10.997 1.00 0.00 C ATOM 0 H1 MET A 1 5.579 2.818 -13.702 1.00 0.00 H new ATOM 0 H2 MET A 1 6.503 1.489 -13.190 1.00 0.00 H new ATOM 0 H3 MET A 1 4.810 1.376 -13.243 1.00 0.00 H new ATOM 0 HA MET A 1 6.522 2.851 -11.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.767 4.383 -12.320 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.541 3.280 -11.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.903 5.195 -10.203 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.215 3.657 -9.425 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.325 6.819 -10.665 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.841 5.655 -11.921 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.622 6.714 -11.173 1.00 0.00 H new ATOM 20 N ARG A 2 5.358 1.489 -9.425 1.00 0.00 N ATOM 21 CA ARG A 2 5.031 0.434 -8.478 1.00 0.00 C ATOM 22 C ARG A 2 4.211 0.991 -7.325 1.00 0.00 C ATOM 23 O ARG A 2 4.469 2.093 -6.848 1.00 0.00 O ATOM 24 CB ARG A 2 6.295 -0.233 -7.928 1.00 0.00 C ATOM 25 CG ARG A 2 6.828 -1.367 -8.791 1.00 0.00 C ATOM 26 CD ARG A 2 7.602 -0.854 -9.994 1.00 0.00 C ATOM 27 NE ARG A 2 8.979 -0.494 -9.652 1.00 0.00 N ATOM 28 CZ ARG A 2 9.400 0.752 -9.439 1.00 0.00 C ATOM 29 NH1 ARG A 2 8.542 1.758 -9.495 1.00 0.00 N ATOM 30 NH2 ARG A 2 10.676 0.991 -9.166 1.00 0.00 N ATOM 0 H ARG A 2 5.779 2.318 -9.006 1.00 0.00 H new ATOM 0 HA ARG A 2 4.447 -0.316 -9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.073 0.523 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.084 -0.619 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.475 -2.006 -8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.997 -1.984 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.610 -1.618 -10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.093 0.016 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 2 9.662 -1.247 -9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.559 1.579 -9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.864 2.712 -9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.341 0.219 -9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.992 1.947 -9.004 1.00 0.00 H new ATOM 44 N ILE A 3 3.228 0.227 -6.882 1.00 0.00 N ATOM 45 CA ILE A 3 2.371 0.654 -5.790 1.00 0.00 C ATOM 46 C ILE A 3 2.066 -0.522 -4.867 1.00 0.00 C ATOM 47 O ILE A 3 2.014 -1.675 -5.306 1.00 0.00 O ATOM 48 CB ILE A 3 1.061 1.285 -6.320 1.00 0.00 C ATOM 49 CG1 ILE A 3 0.163 1.735 -5.161 1.00 0.00 C ATOM 50 CG2 ILE A 3 0.324 0.314 -7.231 1.00 0.00 C ATOM 51 CD1 ILE A 3 -1.099 2.440 -5.604 1.00 0.00 C ATOM 0 H ILE A 3 3.003 -0.693 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 3 2.901 1.418 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 3 1.323 2.167 -6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.109 0.864 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.731 2.401 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.594 0.779 -7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.959 0.058 -8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.078 -0.591 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.682 2.728 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.837 3.331 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.690 1.770 -6.229 1.00 0.00 H new ATOM 63 N PHE A 4 1.903 -0.227 -3.588 1.00 0.00 N ATOM 64 CA PHE A 4 1.635 -1.246 -2.592 1.00 0.00 C ATOM 65 C PHE A 4 0.136 -1.337 -2.325 1.00 0.00 C ATOM 66 O PHE A 4 -0.462 -0.416 -1.768 1.00 0.00 O ATOM 67 CB PHE A 4 2.397 -0.915 -1.304 1.00 0.00 C ATOM 68 CG PHE A 4 2.237 -1.932 -0.213 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.989 -3.094 -0.221 1.00 0.00 C ATOM 70 CD2 PHE A 4 1.341 -1.721 0.824 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.850 -4.029 0.784 1.00 0.00 C ATOM 72 CE2 PHE A 4 1.198 -2.653 1.832 1.00 0.00 C ATOM 73 CZ PHE A 4 1.952 -3.808 1.813 1.00 0.00 C ATOM 0 H PHE A 4 1.953 0.721 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 4 1.974 -2.214 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.457 -0.815 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.059 0.053 -0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.692 -3.271 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.749 -0.818 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.442 -4.932 0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.497 -2.478 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.841 -4.539 2.600 1.00 0.00 H new ATOM 83 N VAL A 5 -0.465 -2.443 -2.735 1.00 0.00 N ATOM 84 CA VAL A 5 -1.892 -2.650 -2.543 1.00 0.00 C ATOM 85 C VAL A 5 -2.148 -3.466 -1.288 1.00 0.00 C ATOM 86 O VAL A 5 -1.631 -4.567 -1.134 1.00 0.00 O ATOM 87 CB VAL A 5 -2.540 -3.347 -3.759 1.00 0.00 C ATOM 88 CG1 VAL A 5 -3.981 -3.746 -3.461 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.490 -2.427 -4.963 1.00 0.00 C ATOM 0 H VAL A 5 0.014 -3.212 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.349 -1.666 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.978 -4.256 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.411 -4.234 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.001 -4.433 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.562 -2.856 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.948 -2.923 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.033 -1.508 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.452 -2.188 -5.195 1.00 0.00 H new ATOM 99 N TYR A 6 -2.936 -2.908 -0.390 1.00 0.00 N ATOM 100 CA TYR A 6 -3.282 -3.572 0.859 1.00 0.00 C ATOM 101 C TYR A 6 -4.410 -4.588 0.661 1.00 0.00 C ATOM 102 O TYR A 6 -5.555 -4.368 1.075 1.00 0.00 O ATOM 103 CB TYR A 6 -3.663 -2.536 1.921 1.00 0.00 C ATOM 104 CG TYR A 6 -4.252 -1.260 1.348 1.00 0.00 C ATOM 105 CD1 TYR A 6 -5.424 -1.281 0.604 1.00 0.00 C ATOM 106 CD2 TYR A 6 -3.627 -0.033 1.548 1.00 0.00 C ATOM 107 CE1 TYR A 6 -5.957 -0.122 0.083 1.00 0.00 C ATOM 108 CE2 TYR A 6 -4.158 1.132 1.030 1.00 0.00 C ATOM 109 CZ TYR A 6 -5.323 1.079 0.296 1.00 0.00 C ATOM 110 OH TYR A 6 -5.868 2.233 -0.216 1.00 0.00 O ATOM 0 H TYR A 6 -3.355 -1.985 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.406 -4.121 1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.383 -2.981 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.778 -2.286 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.926 -2.221 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.711 0.009 2.118 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.871 -0.157 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.664 2.077 1.199 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.843 2.143 -0.261 1.00 0.00 H new ATOM 357 N ALA A 22 -2.312 -4.134 -14.613 1.00 0.00 N ATOM 358 CA ALA A 22 -1.813 -4.444 -13.280 1.00 0.00 C ATOM 359 C ALA A 22 -1.078 -5.778 -13.274 1.00 0.00 C ATOM 360 O ALA A 22 -1.696 -6.844 -13.327 1.00 0.00 O ATOM 361 CB ALA A 22 -2.950 -4.459 -12.270 1.00 0.00 C ATOM 0 HA ALA A 22 -1.108 -3.663 -12.993 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.555 -4.693 -11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.430 -3.480 -12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.681 -5.215 -12.557 1.00 0.00 H new ATOM 367 N GLN A 23 0.243 -5.710 -13.215 1.00 0.00 N ATOM 368 CA GLN A 23 1.072 -6.896 -13.264 1.00 0.00 C ATOM 369 C GLN A 23 1.429 -7.326 -11.855 1.00 0.00 C ATOM 370 O GLN A 23 2.003 -6.548 -11.085 1.00 0.00 O ATOM 371 CB GLN A 23 2.345 -6.615 -14.065 1.00 0.00 C ATOM 372 CG GLN A 23 3.245 -7.830 -14.232 1.00 0.00 C ATOM 373 CD GLN A 23 4.551 -7.497 -14.923 1.00 0.00 C ATOM 374 OE1 GLN A 23 4.618 -6.583 -15.742 1.00 0.00 O ATOM 375 NE2 GLN A 23 5.594 -8.244 -14.608 1.00 0.00 N ATOM 0 H GLN A 23 0.764 -4.837 -13.132 1.00 0.00 H new ATOM 0 HA GLN A 23 0.520 -7.698 -13.754 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.068 -6.241 -15.051 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.907 -5.823 -13.570 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.456 -8.259 -13.252 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.718 -8.592 -14.807 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.496 -8.993 -13.923 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.497 -8.071 -15.050 1.00 0.00 H new ATOM 384 N LEU A 24 1.073 -8.554 -11.513 1.00 0.00 N ATOM 385 CA LEU A 24 1.357 -9.085 -10.195 1.00 0.00 C ATOM 386 C LEU A 24 2.841 -9.403 -10.063 1.00 0.00 C ATOM 387 O LEU A 24 3.336 -10.362 -10.660 1.00 0.00 O ATOM 388 CB LEU A 24 0.516 -10.340 -9.917 1.00 0.00 C ATOM 389 CG LEU A 24 0.805 -11.032 -8.580 1.00 0.00 C ATOM 390 CD1 LEU A 24 0.502 -10.103 -7.411 1.00 0.00 C ATOM 391 CD2 LEU A 24 -0.002 -12.318 -8.462 1.00 0.00 C ATOM 0 H LEU A 24 0.586 -9.201 -12.133 1.00 0.00 H new ATOM 0 HA LEU A 24 1.092 -8.327 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.539 -10.066 -9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.682 -11.056 -10.722 1.00 0.00 H new ATOM 0 HG LEU A 24 1.865 -11.282 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.715 -10.617 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.123 -9.210 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.549 -9.816 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.215 -12.797 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.066 -12.087 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.267 -12.992 -9.275 1.00 0.00 H new ATOM 403 N LEU A 25 3.546 -8.571 -9.313 1.00 0.00 N ATOM 404 CA LEU A 25 4.953 -8.802 -9.036 1.00 0.00 C ATOM 405 C LEU A 25 5.094 -9.813 -7.907 1.00 0.00 C ATOM 406 O LEU A 25 5.911 -10.729 -7.971 1.00 0.00 O ATOM 407 CB LEU A 25 5.647 -7.489 -8.668 1.00 0.00 C ATOM 408 CG LEU A 25 5.664 -6.427 -9.772 1.00 0.00 C ATOM 409 CD1 LEU A 25 6.353 -5.164 -9.283 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.354 -6.961 -11.019 1.00 0.00 C ATOM 0 H LEU A 25 3.165 -7.728 -8.885 1.00 0.00 H new ATOM 0 HA LEU A 25 5.431 -9.201 -9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.154 -7.070 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.676 -7.708 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 25 4.633 -6.182 -10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.356 -4.420 -10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.818 -4.769 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.379 -5.396 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.356 -6.192 -11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.381 -7.235 -10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.820 -7.839 -11.382 1.00 0.00 H new ATOM 422 N GLY A 26 4.288 -9.633 -6.875 1.00 0.00 N ATOM 423 CA GLY A 26 4.255 -10.578 -5.782 1.00 0.00 C ATOM 424 C GLY A 26 3.713 -9.941 -4.531 1.00 0.00 C ATOM 425 O GLY A 26 3.742 -8.716 -4.400 1.00 0.00 O ATOM 0 H GLY A 26 3.651 -8.843 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.637 -11.433 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.260 -10.957 -5.595 1.00 0.00 H new ATOM 429 N ASP A 27 3.204 -10.747 -3.615 1.00 0.00 N ATOM 430 CA ASP A 27 2.682 -10.204 -2.375 1.00 0.00 C ATOM 431 C ASP A 27 3.809 -9.855 -1.437 1.00 0.00 C ATOM 432 O ASP A 27 4.930 -10.355 -1.562 1.00 0.00 O ATOM 433 CB ASP A 27 1.699 -11.145 -1.674 1.00 0.00 C ATOM 434 CG ASP A 27 2.333 -12.424 -1.158 1.00 0.00 C ATOM 435 OD1 ASP A 27 2.361 -13.425 -1.907 1.00 0.00 O ATOM 436 OD2 ASP A 27 2.773 -12.443 0.010 1.00 0.00 O ATOM 0 H ASP A 27 3.142 -11.761 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 27 2.129 -9.304 -2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.238 -10.617 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.899 -11.402 -2.369 1.00 0.00 H new ATOM 441 N PHE A 28 3.496 -8.978 -0.520 1.00 0.00 N ATOM 442 CA PHE A 28 4.457 -8.519 0.462 1.00 0.00 C ATOM 443 C PHE A 28 3.747 -8.120 1.753 1.00 0.00 C ATOM 444 O PHE A 28 3.306 -6.982 1.913 1.00 0.00 O ATOM 445 CB PHE A 28 5.265 -7.347 -0.110 1.00 0.00 C ATOM 446 CG PHE A 28 6.371 -6.850 0.783 1.00 0.00 C ATOM 447 CD1 PHE A 28 7.133 -7.733 1.536 1.00 0.00 C ATOM 448 CD2 PHE A 28 6.655 -5.497 0.854 1.00 0.00 C ATOM 449 CE1 PHE A 28 8.152 -7.269 2.347 1.00 0.00 C ATOM 450 CE2 PHE A 28 7.673 -5.030 1.662 1.00 0.00 C ATOM 451 CZ PHE A 28 8.423 -5.917 2.409 1.00 0.00 C ATOM 0 H PHE A 28 2.571 -8.559 -0.428 1.00 0.00 H new ATOM 0 HA PHE A 28 5.146 -9.330 0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.696 -7.652 -1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.585 -6.521 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.928 -8.792 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.074 -4.798 0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.736 -7.964 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.882 -3.972 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.220 -5.553 3.041 1.00 0.00 H new ATOM 461 N SER A 29 3.597 -9.083 2.651 1.00 0.00 N ATOM 462 CA SER A 29 3.023 -8.818 3.962 1.00 0.00 C ATOM 463 C SER A 29 4.079 -8.207 4.876 1.00 0.00 C ATOM 464 O SER A 29 5.185 -8.742 5.005 1.00 0.00 O ATOM 465 CB SER A 29 2.462 -10.110 4.571 1.00 0.00 C ATOM 466 OG SER A 29 1.389 -10.624 3.791 1.00 0.00 O ATOM 0 H SER A 29 3.865 -10.055 2.496 1.00 0.00 H new ATOM 0 HA SER A 29 2.202 -8.109 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.254 -10.856 4.641 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.116 -9.916 5.586 1.00 0.00 H new ATOM 0 HG SER A 29 0.691 -10.973 4.384 1.00 0.00 H new ATOM 472 N ILE A 30 3.743 -7.093 5.514 1.00 0.00 N ATOM 473 CA ILE A 30 4.715 -6.352 6.302 1.00 0.00 C ATOM 474 C ILE A 30 4.252 -6.191 7.740 1.00 0.00 C ATOM 475 O ILE A 30 3.064 -6.005 8.005 1.00 0.00 O ATOM 476 CB ILE A 30 5.004 -4.965 5.690 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.706 -4.187 5.463 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.768 -5.114 4.390 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.912 -2.847 4.787 1.00 0.00 C ATOM 0 H ILE A 30 2.808 -6.685 5.501 1.00 0.00 H new ATOM 0 HA ILE A 30 5.637 -6.933 6.292 1.00 0.00 H new ATOM 0 HB ILE A 30 5.617 -4.401 6.393 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.032 -4.791 4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.215 -4.028 6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.965 -4.128 3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.713 -5.623 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.176 -5.698 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.949 -2.352 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.561 -2.224 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.375 -2.999 3.812 1.00 0.00 H new ATOM 491 N ASP A 31 5.194 -6.285 8.660 1.00 0.00 N ATOM 492 CA ASP A 31 4.898 -6.160 10.073 1.00 0.00 C ATOM 493 C ASP A 31 5.052 -4.717 10.523 1.00 0.00 C ATOM 494 O ASP A 31 5.627 -3.897 9.806 1.00 0.00 O ATOM 495 CB ASP A 31 5.826 -7.058 10.893 1.00 0.00 C ATOM 496 CG ASP A 31 5.486 -8.533 10.778 1.00 0.00 C ATOM 497 OD1 ASP A 31 5.832 -9.156 9.751 1.00 0.00 O ATOM 498 OD2 ASP A 31 4.877 -9.079 11.724 1.00 0.00 O ATOM 0 H ASP A 31 6.179 -6.449 8.450 1.00 0.00 H new ATOM 0 HA ASP A 31 3.866 -6.473 10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.854 -6.902 10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.776 -6.761 11.941 1.00 0.00 H new ATOM 503 N ASN A 32 4.528 -4.424 11.709 1.00 0.00 N ATOM 504 CA ASN A 32 4.616 -3.093 12.313 1.00 0.00 C ATOM 505 C ASN A 32 3.765 -2.069 11.570 1.00 0.00 C ATOM 506 O ASN A 32 4.068 -0.875 11.579 1.00 0.00 O ATOM 507 CB ASN A 32 6.071 -2.621 12.399 1.00 0.00 C ATOM 508 CG ASN A 32 6.827 -3.312 13.512 1.00 0.00 C ATOM 509 OD1 ASN A 32 6.256 -3.651 14.551 1.00 0.00 O ATOM 510 ND2 ASN A 32 8.113 -3.534 13.304 1.00 0.00 N ATOM 0 H ASN A 32 4.028 -5.103 12.283 1.00 0.00 H new ATOM 0 HA ASN A 32 4.219 -3.178 13.324 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.570 -2.811 11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.093 -1.543 12.560 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.672 -4.002 14.018 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.547 -3.237 12.430 1.00 0.00 H new ATOM 517 N TYR A 33 2.688 -2.533 10.949 1.00 0.00 N ATOM 518 CA TYR A 33 1.714 -1.640 10.332 1.00 0.00 C ATOM 519 C TYR A 33 0.300 -2.099 10.654 1.00 0.00 C ATOM 520 O TYR A 33 0.074 -3.261 10.976 1.00 0.00 O ATOM 521 CB TYR A 33 1.895 -1.564 8.813 1.00 0.00 C ATOM 522 CG TYR A 33 3.200 -0.943 8.371 1.00 0.00 C ATOM 523 CD1 TYR A 33 3.338 0.435 8.280 1.00 0.00 C ATOM 524 CD2 TYR A 33 4.292 -1.734 8.042 1.00 0.00 C ATOM 525 CE1 TYR A 33 4.528 1.008 7.874 1.00 0.00 C ATOM 526 CE2 TYR A 33 5.486 -1.169 7.637 1.00 0.00 C ATOM 527 CZ TYR A 33 5.599 0.203 7.553 1.00 0.00 C ATOM 528 OH TYR A 33 6.786 0.771 7.149 1.00 0.00 O ATOM 0 H TYR A 33 2.466 -3.524 10.859 1.00 0.00 H new ATOM 0 HA TYR A 33 1.879 -0.644 10.743 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.827 -2.571 8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.071 -0.990 8.389 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.501 1.070 8.531 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.207 -2.809 8.104 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.618 2.082 7.809 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.327 -1.799 7.387 1.00 0.00 H new ATOM 0 HH TYR A 33 7.439 0.065 6.962 1.00 0.00 H new ATOM 538 N GLN A 34 -0.650 -1.187 10.567 1.00 0.00 N ATOM 539 CA GLN A 34 -2.039 -1.511 10.841 1.00 0.00 C ATOM 540 C GLN A 34 -2.904 -1.090 9.660 1.00 0.00 C ATOM 541 O GLN A 34 -2.550 -0.163 8.932 1.00 0.00 O ATOM 542 CB GLN A 34 -2.505 -0.815 12.120 1.00 0.00 C ATOM 543 CG GLN A 34 -1.562 -1.014 13.299 1.00 0.00 C ATOM 544 CD GLN A 34 -1.913 -0.139 14.485 1.00 0.00 C ATOM 545 OE1 GLN A 34 -2.692 -0.530 15.351 1.00 0.00 O ATOM 546 NE2 GLN A 34 -1.333 1.053 14.536 1.00 0.00 N ATOM 0 H GLN A 34 -0.486 -0.214 10.308 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.133 -2.587 10.985 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.610 0.252 11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.493 -1.189 12.388 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.586 -2.060 13.605 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.542 -0.798 12.983 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.692 1.340 13.797 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.528 1.682 15.315 1.00 0.00 H new ATOM 555 N LEU A 35 -4.031 -1.764 9.470 1.00 0.00 N ATOM 556 CA LEU A 35 -4.876 -1.513 8.307 1.00 0.00 C ATOM 557 C LEU A 35 -6.259 -1.037 8.742 1.00 0.00 C ATOM 558 O LEU A 35 -6.918 -1.684 9.543 1.00 0.00 O ATOM 559 CB LEU A 35 -4.996 -2.792 7.467 1.00 0.00 C ATOM 560 CG LEU A 35 -5.714 -2.641 6.124 1.00 0.00 C ATOM 561 CD1 LEU A 35 -4.943 -1.701 5.209 1.00 0.00 C ATOM 562 CD2 LEU A 35 -5.886 -3.998 5.463 1.00 0.00 C ATOM 0 H LEU A 35 -4.381 -2.485 10.101 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.418 -0.730 7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.994 -3.177 7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.522 -3.543 8.056 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.700 -2.213 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.469 -1.606 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.862 -0.721 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.945 -2.102 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.398 -3.876 4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.907 -4.447 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.476 -4.646 6.111 1.00 0.00 H new ATOM 574 N TYR A 36 -6.688 0.102 8.222 1.00 0.00 N ATOM 575 CA TYR A 36 -8.005 0.639 8.538 1.00 0.00 C ATOM 576 C TYR A 36 -9.011 0.262 7.464 1.00 0.00 C ATOM 577 O TYR A 36 -8.717 0.336 6.273 1.00 0.00 O ATOM 578 CB TYR A 36 -7.964 2.162 8.656 1.00 0.00 C ATOM 579 CG TYR A 36 -7.055 2.666 9.742 1.00 0.00 C ATOM 580 CD1 TYR A 36 -7.494 2.756 11.055 1.00 0.00 C ATOM 581 CD2 TYR A 36 -5.755 3.053 9.453 1.00 0.00 C ATOM 582 CE1 TYR A 36 -6.660 3.218 12.052 1.00 0.00 C ATOM 583 CE2 TYR A 36 -4.918 3.515 10.441 1.00 0.00 C ATOM 584 CZ TYR A 36 -5.373 3.595 11.742 1.00 0.00 C ATOM 585 OH TYR A 36 -4.540 4.061 12.732 1.00 0.00 O ATOM 0 H TYR A 36 -6.143 0.675 7.578 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.308 0.210 9.493 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.642 2.582 7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.973 2.529 8.841 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.503 2.460 11.300 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.395 2.991 8.437 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.015 3.284 13.070 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.909 3.814 10.200 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.781 3.644 13.586 1.00 0.00 H new ATOM 595 N SER A 37 -10.196 -0.127 7.890 1.00 0.00 N ATOM 596 CA SER A 37 -11.285 -0.395 6.973 1.00 0.00 C ATOM 597 C SER A 37 -12.348 0.692 7.111 1.00 0.00 C ATOM 598 O SER A 37 -13.119 0.717 8.074 1.00 0.00 O ATOM 599 CB SER A 37 -11.869 -1.790 7.221 1.00 0.00 C ATOM 600 OG SER A 37 -12.162 -1.992 8.593 1.00 0.00 O ATOM 0 H SER A 37 -10.430 -0.265 8.873 1.00 0.00 H new ATOM 0 HA SER A 37 -10.909 -0.380 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.777 -1.916 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.162 -2.547 6.883 1.00 0.00 H new ATOM 0 HG SER A 37 -11.485 -1.543 9.142 1.00 0.00 H new ATOM 606 N LEU A 38 -12.342 1.619 6.166 1.00 0.00 N ATOM 607 CA LEU A 38 -13.267 2.742 6.185 1.00 0.00 C ATOM 608 C LEU A 38 -14.340 2.587 5.116 1.00 0.00 C ATOM 609 O LEU A 38 -15.207 3.451 4.957 1.00 0.00 O ATOM 610 CB LEU A 38 -12.516 4.071 5.995 1.00 0.00 C ATOM 611 CG LEU A 38 -11.474 4.116 4.873 1.00 0.00 C ATOM 612 CD1 LEU A 38 -11.323 5.538 4.353 1.00 0.00 C ATOM 613 CD2 LEU A 38 -10.131 3.605 5.377 1.00 0.00 C ATOM 0 H LEU A 38 -11.703 1.615 5.371 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.754 2.753 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.251 4.854 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.018 4.318 6.933 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.813 3.474 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.580 5.557 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.280 5.887 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.001 6.190 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.401 3.643 4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.791 4.230 6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.239 2.576 5.721 1.00 0.00 H new ATOM 625 N GLY A 39 -14.294 1.472 4.405 1.00 0.00 N ATOM 626 CA GLY A 39 -15.201 1.262 3.299 1.00 0.00 C ATOM 627 C GLY A 39 -14.669 1.894 2.030 1.00 0.00 C ATOM 628 O GLY A 39 -13.910 2.863 2.099 1.00 0.00 O ATOM 0 H GLY A 39 -13.642 0.706 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.348 0.193 3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.176 1.686 3.539 1.00 0.00 H new ATOM 632 N HIS A 40 -15.066 1.348 0.876 1.00 0.00 N ATOM 633 CA HIS A 40 -14.581 1.803 -0.439 1.00 0.00 C ATOM 634 C HIS A 40 -13.117 1.414 -0.649 1.00 0.00 C ATOM 635 O HIS A 40 -12.762 0.757 -1.630 1.00 0.00 O ATOM 636 CB HIS A 40 -14.719 3.326 -0.600 1.00 0.00 C ATOM 637 CG HIS A 40 -16.095 3.861 -0.378 1.00 0.00 C ATOM 638 ND1 HIS A 40 -16.530 4.341 0.840 1.00 0.00 N ATOM 639 CD2 HIS A 40 -17.128 4.014 -1.233 1.00 0.00 C ATOM 640 CE1 HIS A 40 -17.774 4.765 0.723 1.00 0.00 C ATOM 641 NE2 HIS A 40 -18.161 4.579 -0.525 1.00 0.00 N ATOM 0 H HIS A 40 -15.733 0.578 0.823 1.00 0.00 H new ATOM 0 HA HIS A 40 -15.201 1.311 -1.188 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.039 3.813 0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.396 3.601 -1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -17.140 3.743 -2.278 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.373 5.192 1.514 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -19.078 4.816 -0.903 1.00 0.00 H new ATOM 650 N TYR A 41 -12.283 1.818 0.296 1.00 0.00 N ATOM 651 CA TYR A 41 -10.848 1.627 0.216 1.00 0.00 C ATOM 652 C TYR A 41 -10.228 1.684 1.608 1.00 0.00 C ATOM 653 O TYR A 41 -10.514 2.589 2.384 1.00 0.00 O ATOM 654 CB TYR A 41 -10.225 2.701 -0.691 1.00 0.00 C ATOM 655 CG TYR A 41 -10.788 4.096 -0.484 1.00 0.00 C ATOM 656 CD1 TYR A 41 -10.412 4.874 0.605 1.00 0.00 C ATOM 657 CD2 TYR A 41 -11.698 4.635 -1.385 1.00 0.00 C ATOM 658 CE1 TYR A 41 -10.923 6.143 0.788 1.00 0.00 C ATOM 659 CE2 TYR A 41 -12.213 5.903 -1.208 1.00 0.00 C ATOM 660 CZ TYR A 41 -11.822 6.653 -0.121 1.00 0.00 C ATOM 661 OH TYR A 41 -12.338 7.913 0.060 1.00 0.00 O ATOM 0 H TYR A 41 -12.588 2.291 1.146 1.00 0.00 H new ATOM 0 HA TYR A 41 -10.647 0.645 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.149 2.727 -0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.374 2.412 -1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.707 4.478 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.008 4.051 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.619 6.733 1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.920 6.305 -1.919 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.957 8.121 -0.671 1.00 0.00 H new ATOM 671 N PRO A 42 -9.413 0.686 1.964 1.00 0.00 N ATOM 672 CA PRO A 42 -8.687 0.677 3.235 1.00 0.00 C ATOM 673 C PRO A 42 -7.529 1.678 3.262 1.00 0.00 C ATOM 674 O PRO A 42 -7.253 2.372 2.277 1.00 0.00 O ATOM 675 CB PRO A 42 -8.147 -0.761 3.342 1.00 0.00 C ATOM 676 CG PRO A 42 -8.849 -1.531 2.273 1.00 0.00 C ATOM 677 CD PRO A 42 -9.173 -0.537 1.197 1.00 0.00 C ATOM 0 HA PRO A 42 -9.334 0.967 4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.067 -0.786 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.348 -1.184 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.217 -2.331 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.755 -1.998 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.351 -0.419 0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.049 -0.833 0.620 1.00 0.00 H new ATOM 685 N GLY A 43 -6.863 1.745 4.404 1.00 0.00 N ATOM 686 CA GLY A 43 -5.696 2.593 4.566 1.00 0.00 C ATOM 687 C GLY A 43 -4.756 2.004 5.593 1.00 0.00 C ATOM 688 O GLY A 43 -5.177 1.178 6.392 1.00 0.00 O ATOM 0 H GLY A 43 -7.115 1.216 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.181 2.700 3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.004 3.592 4.876 1.00 0.00 H new ATOM 692 N ALA A 44 -3.498 2.415 5.596 1.00 0.00 N ATOM 693 CA ALA A 44 -2.522 1.794 6.484 1.00 0.00 C ATOM 694 C ALA A 44 -1.710 2.832 7.240 1.00 0.00 C ATOM 695 O ALA A 44 -1.619 3.981 6.816 1.00 0.00 O ATOM 696 CB ALA A 44 -1.605 0.876 5.692 1.00 0.00 C ATOM 0 H ALA A 44 -3.131 3.162 5.006 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.068 1.205 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.880 0.417 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.197 0.097 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.080 1.454 4.932 1.00 0.00 H new ATOM 702 N VAL A 45 -1.136 2.415 8.367 1.00 0.00 N ATOM 703 CA VAL A 45 -0.277 3.274 9.186 1.00 0.00 C ATOM 704 C VAL A 45 0.748 2.423 9.922 1.00 0.00 C ATOM 705 O VAL A 45 0.577 1.208 10.021 1.00 0.00 O ATOM 706 CB VAL A 45 -1.062 4.087 10.248 1.00 0.00 C ATOM 707 CG1 VAL A 45 -2.052 5.049 9.610 1.00 0.00 C ATOM 708 CG2 VAL A 45 -1.747 3.155 11.238 1.00 0.00 C ATOM 0 H VAL A 45 -1.252 1.473 8.740 1.00 0.00 H new ATOM 0 HA VAL A 45 0.196 3.975 8.498 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.343 4.696 10.797 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.580 5.598 10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.517 5.751 8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.770 4.488 9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.292 3.744 11.975 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.442 2.506 10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.997 2.546 11.743 1.00 0.00 H new ATOM 718 N PRO A 46 1.824 3.035 10.447 1.00 0.00 N ATOM 719 CA PRO A 46 2.801 2.333 11.286 1.00 0.00 C ATOM 720 C PRO A 46 2.195 1.890 12.621 1.00 0.00 C ATOM 721 O PRO A 46 1.144 2.385 13.038 1.00 0.00 O ATOM 722 CB PRO A 46 3.907 3.375 11.520 1.00 0.00 C ATOM 723 CG PRO A 46 3.672 4.435 10.499 1.00 0.00 C ATOM 724 CD PRO A 46 2.192 4.445 10.253 1.00 0.00 C ATOM 0 HA PRO A 46 3.161 1.421 10.811 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.856 3.783 12.529 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.896 2.931 11.406 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.015 5.406 10.857 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.220 4.222 9.581 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.670 5.100 10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.951 4.792 9.248 1.00 0.00 H new ATOM 732 N GLY A 47 2.855 0.950 13.279 1.00 0.00 N ATOM 733 CA GLY A 47 2.385 0.461 14.559 1.00 0.00 C ATOM 734 C GLY A 47 2.969 -0.896 14.878 1.00 0.00 C ATOM 735 O GLY A 47 4.183 -1.079 14.818 1.00 0.00 O ATOM 0 H GLY A 47 3.715 0.514 12.947 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.656 1.169 15.342 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.297 0.397 14.549 1.00 0.00 H new ATOM 739 N ASN A 48 2.115 -1.850 15.209 1.00 0.00 N ATOM 740 CA ASN A 48 2.558 -3.214 15.453 1.00 0.00 C ATOM 741 C ASN A 48 1.484 -4.192 14.997 1.00 0.00 C ATOM 742 O ASN A 48 0.583 -4.548 15.755 1.00 0.00 O ATOM 743 CB ASN A 48 2.883 -3.442 16.933 1.00 0.00 C ATOM 744 CG ASN A 48 3.579 -4.774 17.183 1.00 0.00 C ATOM 745 OD1 ASN A 48 3.334 -5.430 18.195 1.00 0.00 O ATOM 746 ND2 ASN A 48 4.483 -5.162 16.291 1.00 0.00 N ATOM 0 H ASN A 48 1.111 -1.706 15.315 1.00 0.00 H new ATOM 0 HA ASN A 48 3.471 -3.382 14.882 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.519 -2.632 17.290 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.961 -3.404 17.513 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.000 -6.029 16.433 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.660 -4.593 15.463 1.00 0.00 H new ATOM 753 N GLY A 49 1.564 -4.575 13.737 1.00 0.00 N ATOM 754 CA GLY A 49 0.621 -5.513 13.169 1.00 0.00 C ATOM 755 C GLY A 49 1.082 -5.975 11.807 1.00 0.00 C ATOM 756 O GLY A 49 2.018 -5.405 11.248 1.00 0.00 O ATOM 0 H GLY A 49 2.278 -4.247 13.086 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.511 -6.371 13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.360 -5.045 13.087 1.00 0.00 H new ATOM 760 N THR A 50 0.441 -6.995 11.270 1.00 0.00 N ATOM 761 CA THR A 50 0.848 -7.547 9.991 1.00 0.00 C ATOM 762 C THR A 50 -0.093 -7.105 8.877 1.00 0.00 C ATOM 763 O THR A 50 -1.248 -7.511 8.842 1.00 0.00 O ATOM 764 CB THR A 50 0.858 -9.081 10.047 1.00 0.00 C ATOM 765 OG1 THR A 50 1.365 -9.516 11.314 1.00 0.00 O ATOM 766 CG2 THR A 50 1.713 -9.657 8.932 1.00 0.00 C ATOM 0 H THR A 50 -0.361 -7.458 11.697 1.00 0.00 H new ATOM 0 HA THR A 50 1.851 -7.177 9.781 1.00 0.00 H new ATOM 0 HB THR A 50 -0.165 -9.436 9.919 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.368 -10.495 11.346 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.705 -10.745 8.992 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.313 -9.344 7.968 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.736 -9.296 9.035 1.00 0.00 H new ATOM 774 N VAL A 51 0.392 -6.286 7.962 1.00 0.00 N ATOM 775 CA VAL A 51 -0.426 -5.858 6.846 1.00 0.00 C ATOM 776 C VAL A 51 -0.110 -6.702 5.628 1.00 0.00 C ATOM 777 O VAL A 51 1.009 -6.677 5.115 1.00 0.00 O ATOM 778 CB VAL A 51 -0.230 -4.363 6.516 1.00 0.00 C ATOM 779 CG1 VAL A 51 -0.978 -3.985 5.244 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.705 -3.505 7.673 1.00 0.00 C ATOM 0 H VAL A 51 1.339 -5.908 7.970 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.469 -5.992 7.132 1.00 0.00 H new ATOM 0 HB VAL A 51 0.833 -4.186 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.824 -2.927 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.603 -4.580 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.043 -4.178 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.562 -2.453 7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.763 -3.694 7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.132 -3.751 8.567 1.00 0.00 H new ATOM 790 N HIS A 52 -1.089 -7.475 5.193 1.00 0.00 N ATOM 791 CA HIS A 52 -0.928 -8.309 4.024 1.00 0.00 C ATOM 792 C HIS A 52 -1.081 -7.460 2.770 1.00 0.00 C ATOM 793 O HIS A 52 -2.181 -7.045 2.417 1.00 0.00 O ATOM 794 CB HIS A 52 -1.956 -9.440 4.034 1.00 0.00 C ATOM 795 CG HIS A 52 -1.825 -10.380 5.193 1.00 0.00 C ATOM 796 ND1 HIS A 52 -0.837 -11.335 5.279 1.00 0.00 N ATOM 797 CD2 HIS A 52 -2.570 -10.513 6.314 1.00 0.00 C ATOM 798 CE1 HIS A 52 -0.983 -12.016 6.399 1.00 0.00 C ATOM 799 NE2 HIS A 52 -2.028 -11.539 7.047 1.00 0.00 N ATOM 0 H HIS A 52 -2.005 -7.540 5.636 1.00 0.00 H new ATOM 0 HA HIS A 52 0.067 -8.753 4.033 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.956 -9.007 4.044 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.864 -10.008 3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.432 -9.921 6.583 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.353 -12.828 6.730 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.376 -11.877 7.944 1.00 0.00 H new ATOM 808 N GLY A 53 0.028 -7.176 2.116 1.00 0.00 N ATOM 809 CA GLY A 53 -0.015 -6.332 0.949 1.00 0.00 C ATOM 810 C GLY A 53 0.439 -7.045 -0.296 1.00 0.00 C ATOM 811 O GLY A 53 0.981 -8.145 -0.228 1.00 0.00 O ATOM 0 H GLY A 53 0.956 -7.514 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.032 -5.969 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.615 -5.458 1.113 1.00 0.00 H new ATOM 815 N GLU A 54 0.203 -6.421 -1.433 1.00 0.00 N ATOM 816 CA GLU A 54 0.610 -6.960 -2.717 1.00 0.00 C ATOM 817 C GLU A 54 1.329 -5.885 -3.514 1.00 0.00 C ATOM 818 O GLU A 54 0.822 -4.771 -3.661 1.00 0.00 O ATOM 819 CB GLU A 54 -0.608 -7.447 -3.499 1.00 0.00 C ATOM 820 CG GLU A 54 -1.489 -8.413 -2.728 1.00 0.00 C ATOM 821 CD GLU A 54 -2.768 -8.740 -3.464 1.00 0.00 C ATOM 822 OE1 GLU A 54 -3.510 -7.805 -3.817 1.00 0.00 O ATOM 823 OE2 GLU A 54 -3.052 -9.939 -3.678 1.00 0.00 O ATOM 0 H GLU A 54 -0.278 -5.523 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 54 1.280 -7.803 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.205 -6.585 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.269 -7.931 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.936 -9.333 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.732 -7.983 -1.757 1.00 0.00 H new ATOM 830 N VAL A 55 2.511 -6.203 -4.014 1.00 0.00 N ATOM 831 CA VAL A 55 3.254 -5.256 -4.831 1.00 0.00 C ATOM 832 C VAL A 55 2.926 -5.460 -6.307 1.00 0.00 C ATOM 833 O VAL A 55 3.170 -6.530 -6.874 1.00 0.00 O ATOM 834 CB VAL A 55 4.779 -5.370 -4.601 1.00 0.00 C ATOM 835 CG1 VAL A 55 5.536 -4.350 -5.442 1.00 0.00 C ATOM 836 CG2 VAL A 55 5.102 -5.184 -3.126 1.00 0.00 C ATOM 0 H VAL A 55 2.974 -7.100 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 55 2.950 -4.253 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 55 5.097 -6.366 -4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.606 -4.452 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.328 -4.523 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.216 -3.344 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.178 -5.266 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.765 -4.200 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.595 -5.952 -2.543 1.00 0.00 H new ATOM 846 N TYR A 56 2.349 -4.433 -6.919 1.00 0.00 N ATOM 847 CA TYR A 56 1.932 -4.503 -8.314 1.00 0.00 C ATOM 848 C TYR A 56 2.695 -3.511 -9.177 1.00 0.00 C ATOM 849 O TYR A 56 3.180 -2.484 -8.690 1.00 0.00 O ATOM 850 CB TYR A 56 0.435 -4.221 -8.442 1.00 0.00 C ATOM 851 CG TYR A 56 -0.446 -5.430 -8.251 1.00 0.00 C ATOM 852 CD1 TYR A 56 -0.821 -5.855 -6.985 1.00 0.00 C ATOM 853 CD2 TYR A 56 -0.910 -6.143 -9.347 1.00 0.00 C ATOM 854 CE1 TYR A 56 -1.634 -6.960 -6.819 1.00 0.00 C ATOM 855 CE2 TYR A 56 -1.721 -7.246 -9.191 1.00 0.00 C ATOM 856 CZ TYR A 56 -2.081 -7.652 -7.925 1.00 0.00 C ATOM 857 OH TYR A 56 -2.885 -8.755 -7.768 1.00 0.00 O ATOM 0 H TYR A 56 2.159 -3.538 -6.469 1.00 0.00 H new ATOM 0 HA TYR A 56 2.150 -5.512 -8.663 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.156 -3.464 -7.709 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.241 -3.797 -9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.473 -5.315 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.630 -5.828 -10.341 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.918 -7.280 -5.827 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.072 -7.789 -10.056 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.110 -9.123 -8.648 1.00 0.00 H new ATOM 867 N ARG A 57 2.790 -3.823 -10.462 1.00 0.00 N ATOM 868 CA ARG A 57 3.382 -2.913 -11.424 1.00 0.00 C ATOM 869 C ARG A 57 2.294 -2.347 -12.326 1.00 0.00 C ATOM 870 O ARG A 57 1.470 -3.094 -12.856 1.00 0.00 O ATOM 871 CB ARG A 57 4.434 -3.621 -12.277 1.00 0.00 C ATOM 872 CG ARG A 57 5.378 -2.660 -12.980 1.00 0.00 C ATOM 873 CD ARG A 57 6.158 -3.340 -14.091 1.00 0.00 C ATOM 874 NE ARG A 57 5.385 -3.422 -15.328 1.00 0.00 N ATOM 875 CZ ARG A 57 5.916 -3.701 -16.518 1.00 0.00 C ATOM 876 NH1 ARG A 57 7.210 -3.984 -16.625 1.00 0.00 N ATOM 877 NH2 ARG A 57 5.153 -3.697 -17.604 1.00 0.00 N ATOM 0 H ARG A 57 2.463 -4.703 -10.860 1.00 0.00 H new ATOM 0 HA ARG A 57 3.870 -2.106 -10.877 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.014 -4.293 -11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.933 -4.239 -13.022 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.807 -1.829 -13.394 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.073 -2.239 -12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.081 -2.790 -14.275 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.442 -4.343 -13.773 1.00 0.00 H new ATOM 0 HE ARG A 57 4.380 -3.256 -15.278 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.802 -3.988 -15.794 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.612 -4.197 -17.538 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.159 -3.480 -17.528 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.560 -3.911 -18.514 1.00 0.00 H new ATOM 891 N ILE A 58 2.286 -1.033 -12.476 1.00 0.00 N ATOM 892 CA ILE A 58 1.336 -0.355 -13.348 1.00 0.00 C ATOM 893 C ILE A 58 2.009 0.826 -14.034 1.00 0.00 C ATOM 894 O ILE A 58 3.156 1.150 -13.715 1.00 0.00 O ATOM 895 CB ILE A 58 0.075 0.131 -12.580 1.00 0.00 C ATOM 896 CG1 ILE A 58 0.417 0.566 -11.144 1.00 0.00 C ATOM 897 CG2 ILE A 58 -0.994 -0.951 -12.565 1.00 0.00 C ATOM 898 CD1 ILE A 58 1.182 1.869 -11.050 1.00 0.00 C ATOM 0 H ILE A 58 2.935 -0.406 -11.999 1.00 0.00 H new ATOM 0 HA ILE A 58 1.007 -1.079 -14.094 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.314 1.002 -13.107 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.508 0.660 -10.576 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.004 -0.221 -10.669 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.868 -0.591 -12.023 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.277 -1.197 -13.588 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.603 -1.842 -12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.381 2.100 -10.003 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.126 1.776 -11.587 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.591 2.671 -11.492 1.00 0.00 H new ATOM 910 N ASP A 59 1.314 1.445 -14.985 1.00 0.00 N ATOM 911 CA ASP A 59 1.826 2.637 -15.665 1.00 0.00 C ATOM 912 C ASP A 59 2.281 3.679 -14.651 1.00 0.00 C ATOM 913 O ASP A 59 1.651 3.854 -13.606 1.00 0.00 O ATOM 914 CB ASP A 59 0.764 3.274 -16.572 1.00 0.00 C ATOM 915 CG ASP A 59 0.264 2.355 -17.667 1.00 0.00 C ATOM 916 OD1 ASP A 59 1.081 1.908 -18.499 1.00 0.00 O ATOM 917 OD2 ASP A 59 -0.958 2.102 -17.717 1.00 0.00 O ATOM 0 H ASP A 59 0.394 1.142 -15.304 1.00 0.00 H new ATOM 0 HA ASP A 59 2.668 2.314 -16.276 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.082 3.588 -15.960 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.180 4.173 -17.027 1.00 0.00 H new ATOM 922 N ASN A 60 3.375 4.366 -14.956 1.00 0.00 N ATOM 923 CA ASN A 60 3.839 5.474 -14.121 1.00 0.00 C ATOM 924 C ASN A 60 2.713 6.497 -13.969 1.00 0.00 C ATOM 925 O ASN A 60 2.477 7.049 -12.886 1.00 0.00 O ATOM 926 CB ASN A 60 5.072 6.147 -14.743 1.00 0.00 C ATOM 927 CG ASN A 60 6.307 5.264 -14.715 1.00 0.00 C ATOM 928 OD1 ASN A 60 6.209 4.039 -14.734 1.00 0.00 O ATOM 929 ND2 ASN A 60 7.478 5.880 -14.677 1.00 0.00 N ATOM 0 H ASN A 60 3.958 4.179 -15.772 1.00 0.00 H new ATOM 0 HA ASN A 60 4.119 5.083 -13.143 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.849 6.418 -15.775 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.282 7.073 -14.208 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.340 5.336 -14.662 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.518 6.899 -14.662 1.00 0.00 H new ATOM 936 N ALA A 61 2.001 6.709 -15.073 1.00 0.00 N ATOM 937 CA ALA A 61 0.890 7.650 -15.123 1.00 0.00 C ATOM 938 C ALA A 61 -0.245 7.230 -14.194 1.00 0.00 C ATOM 939 O ALA A 61 -0.880 8.076 -13.582 1.00 0.00 O ATOM 940 CB ALA A 61 0.381 7.782 -16.552 1.00 0.00 C ATOM 0 H ALA A 61 2.180 6.232 -15.957 1.00 0.00 H new ATOM 0 HA ALA A 61 1.256 8.618 -14.781 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.449 8.488 -16.579 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.185 8.144 -17.193 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.042 6.809 -16.909 1.00 0.00 H new ATOM 946 N THR A 62 -0.491 5.923 -14.093 1.00 0.00 N ATOM 947 CA THR A 62 -1.537 5.393 -13.217 1.00 0.00 C ATOM 948 C THR A 62 -1.340 5.864 -11.777 1.00 0.00 C ATOM 949 O THR A 62 -2.299 6.178 -11.071 1.00 0.00 O ATOM 950 CB THR A 62 -1.539 3.854 -13.245 1.00 0.00 C ATOM 951 OG1 THR A 62 -1.630 3.393 -14.597 1.00 0.00 O ATOM 952 CG2 THR A 62 -2.699 3.290 -12.438 1.00 0.00 C ATOM 0 H THR A 62 0.023 5.209 -14.610 1.00 0.00 H new ATOM 0 HA THR A 62 -2.492 5.767 -13.586 1.00 0.00 H new ATOM 0 HB THR A 62 -0.607 3.507 -12.798 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.629 2.413 -14.609 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.674 2.201 -12.477 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.615 3.618 -11.402 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.640 3.646 -12.856 1.00 0.00 H new ATOM 960 N LEU A 63 -0.086 5.919 -11.362 1.00 0.00 N ATOM 961 CA LEU A 63 0.265 6.333 -10.014 1.00 0.00 C ATOM 962 C LEU A 63 -0.081 7.802 -9.835 1.00 0.00 C ATOM 963 O LEU A 63 -0.776 8.184 -8.895 1.00 0.00 O ATOM 964 CB LEU A 63 1.757 6.099 -9.771 1.00 0.00 C ATOM 965 CG LEU A 63 2.130 5.530 -8.396 1.00 0.00 C ATOM 966 CD1 LEU A 63 1.928 6.556 -7.302 1.00 0.00 C ATOM 967 CD2 LEU A 63 1.321 4.275 -8.101 1.00 0.00 C ATOM 0 H LEU A 63 0.714 5.679 -11.947 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.298 5.745 -9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.128 5.418 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.280 7.046 -9.905 1.00 0.00 H new ATOM 0 HG LEU A 63 3.188 5.269 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.201 6.121 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.555 7.426 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.882 6.861 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.599 3.885 -7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.258 4.517 -8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.526 3.523 -8.863 1.00 0.00 H new ATOM 979 N ALA A 64 0.384 8.617 -10.777 1.00 0.00 N ATOM 980 CA ALA A 64 0.085 10.044 -10.768 1.00 0.00 C ATOM 981 C ALA A 64 -1.414 10.284 -10.914 1.00 0.00 C ATOM 982 O ALA A 64 -1.947 11.272 -10.409 1.00 0.00 O ATOM 983 CB ALA A 64 0.850 10.748 -11.880 1.00 0.00 C ATOM 0 H ALA A 64 0.969 8.313 -11.556 1.00 0.00 H new ATOM 0 HA ALA A 64 0.402 10.457 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.618 11.813 -11.863 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.921 10.607 -11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.559 10.329 -12.843 1.00 0.00 H new ATOM 989 N GLU A 65 -2.082 9.364 -11.599 1.00 0.00 N ATOM 990 CA GLU A 65 -3.522 9.444 -11.812 1.00 0.00 C ATOM 991 C GLU A 65 -4.263 9.258 -10.493 1.00 0.00 C ATOM 992 O GLU A 65 -5.116 10.069 -10.126 1.00 0.00 O ATOM 993 CB GLU A 65 -3.963 8.378 -12.825 1.00 0.00 C ATOM 994 CG GLU A 65 -5.464 8.329 -13.072 1.00 0.00 C ATOM 995 CD GLU A 65 -5.839 7.308 -14.130 1.00 0.00 C ATOM 996 OE1 GLU A 65 -5.722 7.615 -15.333 1.00 0.00 O ATOM 997 OE2 GLU A 65 -6.239 6.186 -13.764 1.00 0.00 O ATOM 0 H GLU A 65 -1.644 8.545 -12.021 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.764 10.429 -12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.457 8.563 -13.772 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.633 7.401 -12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.976 8.089 -12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.812 9.315 -13.382 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.913 8.193 -9.778 1.00 0.00 N ATOM 1005 CA LEU A 66 -4.518 7.901 -8.485 1.00 0.00 C ATOM 1006 C LEU A 66 -4.229 9.034 -7.507 1.00 0.00 C ATOM 1007 O LEU A 66 -5.097 9.429 -6.728 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.994 6.557 -7.945 1.00 0.00 C ATOM 1009 CG LEU A 66 -4.710 6.001 -6.701 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -4.573 4.483 -6.656 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -4.148 6.617 -5.420 1.00 0.00 C ATOM 0 H LEU A 66 -3.210 7.516 -10.075 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.598 7.820 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.065 5.816 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.936 6.671 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.765 6.266 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.082 4.098 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.021 4.051 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.518 4.214 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.673 6.206 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.085 6.387 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.285 7.698 -5.446 1.00 0.00 H new ATOM 1023 N ASP A 67 -3.014 9.566 -7.567 1.00 0.00 N ATOM 1024 CA ASP A 67 -2.616 10.668 -6.698 1.00 0.00 C ATOM 1025 C ASP A 67 -3.433 11.924 -6.966 1.00 0.00 C ATOM 1026 O ASP A 67 -3.897 12.575 -6.035 1.00 0.00 O ATOM 1027 CB ASP A 67 -1.130 10.985 -6.853 1.00 0.00 C ATOM 1028 CG ASP A 67 -0.274 10.206 -5.881 1.00 0.00 C ATOM 1029 OD1 ASP A 67 -0.676 10.084 -4.701 1.00 0.00 O ATOM 1030 OD2 ASP A 67 0.811 9.738 -6.277 1.00 0.00 O ATOM 0 H ASP A 67 -2.286 9.252 -8.209 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.807 10.343 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.817 10.759 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.970 12.052 -6.700 1.00 0.00 H new ATOM 1035 N ALA A 68 -3.610 12.264 -8.237 1.00 0.00 N ATOM 1036 CA ALA A 68 -4.369 13.455 -8.608 1.00 0.00 C ATOM 1037 C ALA A 68 -5.830 13.333 -8.189 1.00 0.00 C ATOM 1038 O ALA A 68 -6.499 14.332 -7.923 1.00 0.00 O ATOM 1039 CB ALA A 68 -4.270 13.698 -10.105 1.00 0.00 C ATOM 0 H ALA A 68 -3.240 11.735 -9.027 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.937 14.306 -8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.840 14.589 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.226 13.841 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.673 12.838 -10.641 1.00 0.00 H new ATOM 1045 N LEU A 69 -6.317 12.104 -8.138 1.00 0.00 N ATOM 1046 CA LEU A 69 -7.697 11.844 -7.768 1.00 0.00 C ATOM 1047 C LEU A 69 -7.885 11.750 -6.257 1.00 0.00 C ATOM 1048 O LEU A 69 -8.717 12.451 -5.682 1.00 0.00 O ATOM 1049 CB LEU A 69 -8.173 10.553 -8.434 1.00 0.00 C ATOM 1050 CG LEU A 69 -8.591 10.698 -9.895 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -8.905 9.339 -10.503 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -9.793 11.617 -9.993 1.00 0.00 C ATOM 0 H LEU A 69 -5.773 11.267 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.295 12.687 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.374 9.814 -8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.017 10.159 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.764 11.133 -10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.201 9.466 -11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.020 8.704 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.719 8.872 -9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.089 11.719 -11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.620 11.197 -9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.535 12.597 -9.592 1.00 0.00 H new ATOM 1064 N ARG A 70 -7.108 10.889 -5.620 1.00 0.00 N ATOM 1065 CA ARG A 70 -7.357 10.531 -4.230 1.00 0.00 C ATOM 1066 C ARG A 70 -6.715 11.510 -3.245 1.00 0.00 C ATOM 1067 O ARG A 70 -7.324 11.867 -2.237 1.00 0.00 O ATOM 1068 CB ARG A 70 -6.857 9.110 -3.958 1.00 0.00 C ATOM 1069 CG ARG A 70 -7.164 8.603 -2.557 1.00 0.00 C ATOM 1070 CD ARG A 70 -6.773 7.144 -2.396 1.00 0.00 C ATOM 1071 NE ARG A 70 -7.136 6.619 -1.078 1.00 0.00 N ATOM 1072 CZ ARG A 70 -6.670 5.475 -0.572 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -5.795 4.748 -1.257 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -7.071 5.073 0.631 1.00 0.00 N ATOM 0 H ARG A 70 -6.302 10.426 -6.040 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.435 10.581 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.306 8.433 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.779 9.079 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.629 9.207 -1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.228 8.721 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.261 6.551 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.698 7.039 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.786 7.162 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.477 5.063 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.441 3.874 -0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.732 5.638 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.717 4.199 1.021 1.00 0.00 H new ATOM 1088 N THR A 71 -5.490 11.937 -3.522 1.00 0.00 N ATOM 1089 CA THR A 71 -4.750 12.753 -2.570 1.00 0.00 C ATOM 1090 C THR A 71 -4.656 14.212 -3.004 1.00 0.00 C ATOM 1091 O THR A 71 -5.255 15.089 -2.377 1.00 0.00 O ATOM 1092 CB THR A 71 -3.327 12.201 -2.341 1.00 0.00 C ATOM 1093 OG1 THR A 71 -2.746 11.800 -3.593 1.00 0.00 O ATOM 1094 CG2 THR A 71 -3.348 11.030 -1.375 1.00 0.00 C ATOM 0 H THR A 71 -4.992 11.734 -4.389 1.00 0.00 H new ATOM 0 HA THR A 71 -5.311 12.707 -1.637 1.00 0.00 H new ATOM 0 HB THR A 71 -2.719 12.993 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.180 12.285 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.333 10.659 -1.231 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.755 11.355 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.971 10.233 -1.782 1.00 0.00 H new ATOM 1140 N GLU A 75 -4.151 14.128 1.944 1.00 0.00 N ATOM 1141 CA GLU A 75 -5.115 13.228 2.573 1.00 0.00 C ATOM 1142 C GLU A 75 -4.359 12.057 3.201 1.00 0.00 C ATOM 1143 O GLU A 75 -4.680 11.590 4.297 1.00 0.00 O ATOM 1144 CB GLU A 75 -6.119 12.725 1.529 1.00 0.00 C ATOM 1145 CG GLU A 75 -7.247 11.877 2.101 1.00 0.00 C ATOM 1146 CD GLU A 75 -8.179 12.659 3.000 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -8.843 13.595 2.506 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -8.257 12.340 4.202 1.00 0.00 O ATOM 0 HA GLU A 75 -5.668 13.757 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.551 13.583 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.584 12.140 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.820 11.445 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.820 11.047 2.664 1.00 0.00 H new ATOM 1155 N TYR A 76 -3.341 11.602 2.483 1.00 0.00 N ATOM 1156 CA TYR A 76 -2.421 10.592 2.976 1.00 0.00 C ATOM 1157 C TYR A 76 -1.003 11.025 2.646 1.00 0.00 C ATOM 1158 O TYR A 76 -0.795 11.860 1.761 1.00 0.00 O ATOM 1159 CB TYR A 76 -2.662 9.228 2.316 1.00 0.00 C ATOM 1160 CG TYR A 76 -4.098 8.750 2.297 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -4.948 9.091 1.255 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -4.593 7.934 3.304 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -6.252 8.640 1.221 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -5.895 7.472 3.274 1.00 0.00 C ATOM 1165 CZ TYR A 76 -6.719 7.830 2.232 1.00 0.00 C ATOM 1166 OH TYR A 76 -8.013 7.360 2.187 1.00 0.00 O ATOM 0 H TYR A 76 -3.131 11.926 1.539 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.577 10.492 4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.300 9.274 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -2.058 8.483 2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.583 9.720 0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.950 7.655 4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.903 8.921 0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.263 6.834 4.064 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.186 6.802 2.974 1.00 0.00 H new ATOM 1176 N ALA A 77 -0.037 10.464 3.342 1.00 0.00 N ATOM 1177 CA ALA A 77 1.356 10.658 2.978 1.00 0.00 C ATOM 1178 C ALA A 77 1.777 9.602 1.984 1.00 0.00 C ATOM 1179 O ALA A 77 1.432 8.428 2.132 1.00 0.00 O ATOM 1180 CB ALA A 77 2.265 10.605 4.191 1.00 0.00 C ATOM 0 H ALA A 77 -0.186 9.872 4.159 1.00 0.00 H new ATOM 0 HA ALA A 77 1.448 11.648 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.298 10.754 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.981 11.389 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.169 9.633 4.675 1.00 0.00 H new ATOM 1186 N ARG A 78 2.505 10.020 0.968 1.00 0.00 N ATOM 1187 CA ARG A 78 3.051 9.091 0.009 1.00 0.00 C ATOM 1188 C ARG A 78 4.346 8.524 0.556 1.00 0.00 C ATOM 1189 O ARG A 78 5.382 9.188 0.553 1.00 0.00 O ATOM 1190 CB ARG A 78 3.278 9.784 -1.330 1.00 0.00 C ATOM 1191 CG ARG A 78 1.993 10.315 -1.936 1.00 0.00 C ATOM 1192 CD ARG A 78 2.258 11.273 -3.078 1.00 0.00 C ATOM 1193 NE ARG A 78 1.012 11.792 -3.635 1.00 0.00 N ATOM 1194 CZ ARG A 78 0.753 13.080 -3.851 1.00 0.00 C ATOM 1195 NH1 ARG A 78 1.654 14.009 -3.560 1.00 0.00 N ATOM 1196 NH2 ARG A 78 -0.418 13.440 -4.360 1.00 0.00 N ATOM 0 H ARG A 78 2.730 10.998 0.788 1.00 0.00 H new ATOM 0 HA ARG A 78 2.348 8.275 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.979 10.607 -1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.740 9.083 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.390 9.481 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.411 10.821 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.874 12.100 -2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.824 10.764 -3.859 1.00 0.00 H new ATOM 0 HE ARG A 78 0.286 11.118 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.556 13.739 -3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.445 14.993 -3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.116 12.731 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.620 14.426 -4.527 1.00 0.00 H new ATOM 1210 N GLN A 79 4.268 7.308 1.052 1.00 0.00 N ATOM 1211 CA GLN A 79 5.391 6.676 1.711 1.00 0.00 C ATOM 1212 C GLN A 79 6.020 5.668 0.776 1.00 0.00 C ATOM 1213 O GLN A 79 5.502 4.569 0.593 1.00 0.00 O ATOM 1214 CB GLN A 79 4.936 5.983 2.999 1.00 0.00 C ATOM 1215 CG GLN A 79 6.077 5.394 3.815 1.00 0.00 C ATOM 1216 CD GLN A 79 5.612 4.753 5.112 1.00 0.00 C ATOM 1217 OE1 GLN A 79 6.346 4.727 6.098 1.00 0.00 O ATOM 1218 NE2 GLN A 79 4.396 4.231 5.126 1.00 0.00 N ATOM 0 H GLN A 79 3.428 6.731 1.010 1.00 0.00 H new ATOM 0 HA GLN A 79 6.125 7.439 1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.394 6.701 3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.235 5.188 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.598 4.649 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.797 6.180 4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.814 4.271 4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.040 3.789 5.974 1.00 0.00 H new ATOM 1227 N LEU A 80 7.113 6.056 0.159 1.00 0.00 N ATOM 1228 CA LEU A 80 7.791 5.179 -0.764 1.00 0.00 C ATOM 1229 C LEU A 80 8.579 4.131 0.000 1.00 0.00 C ATOM 1230 O LEU A 80 9.613 4.426 0.597 1.00 0.00 O ATOM 1231 CB LEU A 80 8.715 5.961 -1.684 1.00 0.00 C ATOM 1232 CG LEU A 80 9.416 5.111 -2.734 1.00 0.00 C ATOM 1233 CD1 LEU A 80 8.411 4.553 -3.727 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.481 5.921 -3.446 1.00 0.00 C ATOM 0 H LEU A 80 7.549 6.970 0.280 1.00 0.00 H new ATOM 0 HA LEU A 80 7.039 4.685 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.137 6.736 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.468 6.466 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 80 9.901 4.273 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.931 3.948 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.684 3.935 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.896 5.375 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.973 5.298 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.019 6.779 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.218 6.269 -2.722 1.00 0.00 H new ATOM 1246 N ILE A 81 8.078 2.913 -0.014 1.00 0.00 N ATOM 1247 CA ILE A 81 8.698 1.830 0.718 1.00 0.00 C ATOM 1248 C ILE A 81 9.504 0.946 -0.214 1.00 0.00 C ATOM 1249 O ILE A 81 9.092 0.660 -1.342 1.00 0.00 O ATOM 1250 CB ILE A 81 7.653 0.985 1.469 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.594 0.447 0.503 1.00 0.00 C ATOM 1252 CG2 ILE A 81 7.004 1.831 2.551 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.658 -0.568 1.124 1.00 0.00 C ATOM 0 H ILE A 81 7.238 2.648 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 81 9.368 2.276 1.454 1.00 0.00 H new ATOM 0 HB ILE A 81 8.151 0.131 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.007 1.282 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.094 -0.009 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.264 1.235 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.766 2.174 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.516 2.693 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.937 -0.902 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.233 -1.422 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.129 -0.111 1.961 1.00 0.00 H new ATOM 1265 N GLN A 82 10.664 0.535 0.250 1.00 0.00 N ATOM 1266 CA GLN A 82 11.553 -0.276 -0.554 1.00 0.00 C ATOM 1267 C GLN A 82 11.209 -1.751 -0.420 1.00 0.00 C ATOM 1268 O GLN A 82 11.464 -2.373 0.611 1.00 0.00 O ATOM 1269 CB GLN A 82 13.013 -0.020 -0.163 1.00 0.00 C ATOM 1270 CG GLN A 82 14.023 -0.813 -0.982 1.00 0.00 C ATOM 1271 CD GLN A 82 13.775 -0.719 -2.479 1.00 0.00 C ATOM 1272 OE1 GLN A 82 14.094 -1.641 -3.228 1.00 0.00 O ATOM 1273 NE2 GLN A 82 13.199 0.387 -2.926 1.00 0.00 N ATOM 0 H GLN A 82 11.015 0.750 1.183 1.00 0.00 H new ATOM 0 HA GLN A 82 11.423 0.006 -1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.227 1.043 -0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.144 -0.264 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.027 -0.450 -0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.988 -1.859 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.948 1.131 -2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.006 0.495 -3.922 1.00 0.00 H new ATOM 1282 N THR A 83 10.607 -2.298 -1.460 1.00 0.00 N ATOM 1283 CA THR A 83 10.264 -3.707 -1.475 1.00 0.00 C ATOM 1284 C THR A 83 11.265 -4.458 -2.351 1.00 0.00 C ATOM 1285 O THR A 83 11.967 -3.840 -3.153 1.00 0.00 O ATOM 1286 CB THR A 83 8.829 -3.924 -2.012 1.00 0.00 C ATOM 1287 OG1 THR A 83 8.849 -4.108 -3.430 1.00 0.00 O ATOM 1288 CG2 THR A 83 7.952 -2.726 -1.679 1.00 0.00 C ATOM 0 H THR A 83 10.346 -1.788 -2.304 1.00 0.00 H new ATOM 0 HA THR A 83 10.304 -4.088 -0.454 1.00 0.00 H new ATOM 0 HB THR A 83 8.421 -4.816 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.344 -3.373 -3.848 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.946 -2.894 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.910 -2.595 -0.598 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.371 -1.830 -2.137 1.00 0.00 H new ATOM 1296 N PRO A 84 11.360 -5.791 -2.215 1.00 0.00 N ATOM 1297 CA PRO A 84 12.240 -6.608 -3.060 1.00 0.00 C ATOM 1298 C PRO A 84 11.857 -6.523 -4.536 1.00 0.00 C ATOM 1299 O PRO A 84 12.674 -6.784 -5.421 1.00 0.00 O ATOM 1300 CB PRO A 84 12.028 -8.035 -2.541 1.00 0.00 C ATOM 1301 CG PRO A 84 11.443 -7.874 -1.177 1.00 0.00 C ATOM 1302 CD PRO A 84 10.640 -6.606 -1.222 1.00 0.00 C ATOM 0 HA PRO A 84 13.276 -6.274 -3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.358 -8.595 -3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.969 -8.584 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.814 -8.726 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.226 -7.814 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.609 -6.792 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.604 -6.117 -0.249 1.00 0.00 H new ATOM 1310 N TYR A 85 10.614 -6.132 -4.791 1.00 0.00 N ATOM 1311 CA TYR A 85 10.094 -6.041 -6.146 1.00 0.00 C ATOM 1312 C TYR A 85 10.337 -4.643 -6.705 1.00 0.00 C ATOM 1313 O TYR A 85 10.052 -4.360 -7.870 1.00 0.00 O ATOM 1314 CB TYR A 85 8.591 -6.346 -6.154 1.00 0.00 C ATOM 1315 CG TYR A 85 8.208 -7.567 -5.347 1.00 0.00 C ATOM 1316 CD1 TYR A 85 8.242 -8.838 -5.903 1.00 0.00 C ATOM 1317 CD2 TYR A 85 7.805 -7.443 -4.023 1.00 0.00 C ATOM 1318 CE1 TYR A 85 7.886 -9.952 -5.162 1.00 0.00 C ATOM 1319 CE2 TYR A 85 7.451 -8.549 -3.275 1.00 0.00 C ATOM 1320 CZ TYR A 85 7.491 -9.801 -3.847 1.00 0.00 C ATOM 1321 OH TYR A 85 7.139 -10.907 -3.104 1.00 0.00 O ATOM 0 H TYR A 85 9.943 -5.871 -4.068 1.00 0.00 H new ATOM 0 HA TYR A 85 10.610 -6.771 -6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.053 -5.482 -5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.264 -6.487 -7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.551 -8.960 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.768 -6.463 -3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.917 -10.934 -5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.144 -8.432 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 85 6.363 -10.692 -2.546 1.00 0.00 H new ATOM 1331 N GLY A 86 10.869 -3.772 -5.859 1.00 0.00 N ATOM 1332 CA GLY A 86 11.097 -2.397 -6.243 1.00 0.00 C ATOM 1333 C GLY A 86 10.443 -1.434 -5.276 1.00 0.00 C ATOM 1334 O GLY A 86 9.639 -1.840 -4.437 1.00 0.00 O ATOM 0 H GLY A 86 11.149 -3.998 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.169 -2.202 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.705 -2.229 -7.246 1.00 0.00 H new ATOM 1338 N SER A 87 10.801 -0.167 -5.364 1.00 0.00 N ATOM 1339 CA SER A 87 10.212 0.850 -4.515 1.00 0.00 C ATOM 1340 C SER A 87 8.731 1.051 -4.839 1.00 0.00 C ATOM 1341 O SER A 87 8.370 1.380 -5.972 1.00 0.00 O ATOM 1342 CB SER A 87 10.992 2.149 -4.670 1.00 0.00 C ATOM 1343 OG SER A 87 11.252 2.421 -6.039 1.00 0.00 O ATOM 0 H SER A 87 11.501 0.183 -6.019 1.00 0.00 H new ATOM 0 HA SER A 87 10.270 0.523 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.427 2.972 -4.232 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.932 2.081 -4.123 1.00 0.00 H new ATOM 0 HG SER A 87 10.453 2.220 -6.570 1.00 0.00 H new ATOM 1349 N ALA A 88 7.880 0.851 -3.841 1.00 0.00 N ATOM 1350 CA ALA A 88 6.441 0.959 -4.027 1.00 0.00 C ATOM 1351 C ALA A 88 5.869 2.087 -3.177 1.00 0.00 C ATOM 1352 O ALA A 88 6.362 2.360 -2.084 1.00 0.00 O ATOM 1353 CB ALA A 88 5.763 -0.360 -3.683 1.00 0.00 C ATOM 0 H ALA A 88 8.164 0.612 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 88 6.248 1.189 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.687 -0.264 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.147 -1.147 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.969 -0.615 -2.643 1.00 0.00 H new ATOM 1359 N TRP A 89 4.838 2.744 -3.685 1.00 0.00 N ATOM 1360 CA TRP A 89 4.211 3.845 -2.965 1.00 0.00 C ATOM 1361 C TRP A 89 3.150 3.336 -1.992 1.00 0.00 C ATOM 1362 O TRP A 89 2.204 2.652 -2.387 1.00 0.00 O ATOM 1363 CB TRP A 89 3.585 4.836 -3.944 1.00 0.00 C ATOM 1364 CG TRP A 89 4.584 5.484 -4.835 1.00 0.00 C ATOM 1365 CD1 TRP A 89 4.961 5.067 -6.072 1.00 0.00 C ATOM 1366 CD2 TRP A 89 5.343 6.666 -4.553 1.00 0.00 C ATOM 1367 NE1 TRP A 89 5.912 5.911 -6.580 1.00 0.00 N ATOM 1368 CE2 TRP A 89 6.165 6.903 -5.668 1.00 0.00 C ATOM 1369 CE3 TRP A 89 5.408 7.549 -3.468 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 7.045 7.981 -5.731 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 6.281 8.619 -3.532 1.00 0.00 C ATOM 1372 CH2 TRP A 89 7.089 8.827 -4.656 1.00 0.00 C ATOM 0 H TRP A 89 4.417 2.536 -4.591 1.00 0.00 H new ATOM 0 HA TRP A 89 4.988 4.352 -2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.845 4.317 -4.554 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.054 5.605 -3.384 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.569 4.198 -6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 89 6.361 5.817 -7.491 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.788 7.397 -2.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.670 8.143 -6.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.341 9.306 -2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.761 9.672 -4.675 1.00 0.00 H new ATOM 1383 N MET A 90 3.337 3.653 -0.720 1.00 0.00 N ATOM 1384 CA MET A 90 2.365 3.327 0.317 1.00 0.00 C ATOM 1385 C MET A 90 1.623 4.597 0.738 1.00 0.00 C ATOM 1386 O MET A 90 2.167 5.695 0.636 1.00 0.00 O ATOM 1387 CB MET A 90 3.085 2.719 1.526 1.00 0.00 C ATOM 1388 CG MET A 90 2.170 2.016 2.514 1.00 0.00 C ATOM 1389 SD MET A 90 3.075 1.345 3.921 1.00 0.00 S ATOM 1390 CE MET A 90 1.775 0.457 4.771 1.00 0.00 C ATOM 0 H MET A 90 4.164 4.142 -0.376 1.00 0.00 H new ATOM 0 HA MET A 90 1.648 2.604 -0.071 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.830 2.007 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.624 3.510 2.048 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.416 2.717 2.870 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.641 1.209 2.006 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.216 -0.297 5.423 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.188 1.155 5.368 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.128 -0.029 4.040 1.00 0.00 H new ATOM 1400 N TYR A 91 0.389 4.454 1.203 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.398 5.603 1.643 1.00 0.00 C ATOM 1402 C TYR A 91 -0.793 5.461 3.109 1.00 0.00 C ATOM 1403 O TYR A 91 -1.458 4.494 3.488 1.00 0.00 O ATOM 1404 CB TYR A 91 -1.660 5.755 0.783 1.00 0.00 C ATOM 1405 CG TYR A 91 -1.394 6.161 -0.652 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -1.149 5.206 -1.632 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -1.392 7.500 -1.028 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -0.910 5.573 -2.943 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -1.158 7.874 -2.338 1.00 0.00 C ATOM 1410 CZ TYR A 91 -0.918 6.908 -3.291 1.00 0.00 C ATOM 1411 OH TYR A 91 -0.694 7.272 -4.599 1.00 0.00 O ATOM 0 H TYR A 91 -0.089 3.557 1.286 1.00 0.00 H new ATOM 0 HA TYR A 91 0.221 6.493 1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.203 4.810 0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.311 6.498 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.145 4.160 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.576 8.261 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.718 4.818 -3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.163 8.918 -2.613 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.812 8.240 -4.694 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.381 6.421 3.933 1.00 0.00 N ATOM 1422 CA VAL A 92 -0.749 6.424 5.339 1.00 0.00 C ATOM 1423 C VAL A 92 -1.764 7.522 5.619 1.00 0.00 C ATOM 1424 O VAL A 92 -1.526 8.691 5.306 1.00 0.00 O ATOM 1425 CB VAL A 92 0.494 6.583 6.249 1.00 0.00 C ATOM 1426 CG1 VAL A 92 0.125 7.129 7.622 1.00 0.00 C ATOM 1427 CG2 VAL A 92 1.201 5.247 6.400 1.00 0.00 C ATOM 0 H VAL A 92 0.207 7.204 3.648 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.204 5.461 5.568 1.00 0.00 H new ATOM 0 HB VAL A 92 1.161 7.301 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.025 7.225 8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.344 8.107 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.570 6.446 8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.074 5.368 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.520 4.523 6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.517 4.890 5.420 1.00 0.00 H new ATOM 1437 N TYR A 93 -2.900 7.130 6.187 1.00 0.00 N ATOM 1438 CA TYR A 93 -3.966 8.066 6.513 1.00 0.00 C ATOM 1439 C TYR A 93 -3.466 9.072 7.531 1.00 0.00 C ATOM 1440 O TYR A 93 -3.059 8.711 8.635 1.00 0.00 O ATOM 1441 CB TYR A 93 -5.196 7.311 7.030 1.00 0.00 C ATOM 1442 CG TYR A 93 -6.416 8.183 7.254 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -6.877 9.038 6.259 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -7.112 8.144 8.455 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -7.993 9.831 6.457 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -8.232 8.931 8.658 1.00 0.00 C ATOM 1447 CZ TYR A 93 -8.667 9.773 7.659 1.00 0.00 C ATOM 1448 OH TYR A 93 -9.783 10.555 7.860 1.00 0.00 O ATOM 0 H TYR A 93 -3.105 6.161 6.432 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.264 8.606 5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.451 6.526 6.318 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.938 6.820 7.968 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.354 9.084 5.315 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.774 7.489 9.244 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.335 10.492 5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.763 8.885 9.597 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.139 10.393 8.759 1.00 0.00 H new ATOM 1458 N GLN A 94 -3.479 10.330 7.136 1.00 0.00 N ATOM 1459 CA GLN A 94 -2.842 11.371 7.911 1.00 0.00 C ATOM 1460 C GLN A 94 -3.783 11.956 8.949 1.00 0.00 C ATOM 1461 O GLN A 94 -3.359 12.345 10.037 1.00 0.00 O ATOM 1462 CB GLN A 94 -2.362 12.479 6.987 1.00 0.00 C ATOM 1463 CG GLN A 94 -0.933 12.886 7.262 1.00 0.00 C ATOM 1464 CD GLN A 94 0.047 12.171 6.364 1.00 0.00 C ATOM 1465 OE1 GLN A 94 0.461 12.711 5.341 1.00 0.00 O ATOM 1466 NE2 GLN A 94 0.367 10.926 6.693 1.00 0.00 N ATOM 0 H GLN A 94 -3.926 10.655 6.279 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.996 10.924 8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.449 12.147 5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.011 13.347 7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.831 13.962 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.691 12.674 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.001 10.515 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.979 10.380 6.087 1.00 0.00 H new ATOM 1475 N ARG A 95 -5.055 12.018 8.608 1.00 0.00 N ATOM 1476 CA ARG A 95 -6.034 12.672 9.454 1.00 0.00 C ATOM 1477 C ARG A 95 -6.518 11.732 10.557 1.00 0.00 C ATOM 1478 O ARG A 95 -6.320 10.519 10.473 1.00 0.00 O ATOM 1479 CB ARG A 95 -7.195 13.173 8.598 1.00 0.00 C ATOM 1480 CG ARG A 95 -6.739 14.106 7.488 1.00 0.00 C ATOM 1481 CD ARG A 95 -7.905 14.838 6.852 1.00 0.00 C ATOM 1482 NE ARG A 95 -8.826 13.941 6.167 1.00 0.00 N ATOM 1483 CZ ARG A 95 -10.136 13.919 6.384 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -10.665 14.651 7.358 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -10.912 13.144 5.641 1.00 0.00 N ATOM 0 H ARG A 95 -5.436 11.622 7.748 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.568 13.527 9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.715 12.320 8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.913 13.692 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.031 14.831 7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.210 13.533 6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.446 15.389 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.524 15.572 6.142 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.442 13.292 5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.065 15.233 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.672 14.631 7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.503 12.567 4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.919 13.124 5.804 1.00 0.00 H new ATOM 1499 N PRO A 96 -7.122 12.286 11.623 1.00 0.00 N ATOM 1500 CA PRO A 96 -7.646 11.496 12.740 1.00 0.00 C ATOM 1501 C PRO A 96 -8.617 10.413 12.285 1.00 0.00 C ATOM 1502 O PRO A 96 -9.519 10.666 11.482 1.00 0.00 O ATOM 1503 CB PRO A 96 -8.374 12.527 13.605 1.00 0.00 C ATOM 1504 CG PRO A 96 -7.723 13.824 13.277 1.00 0.00 C ATOM 1505 CD PRO A 96 -7.327 13.732 11.832 1.00 0.00 C ATOM 0 HA PRO A 96 -6.850 10.966 13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.440 12.551 13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.278 12.293 14.665 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.406 14.657 13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.853 13.995 13.910 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.104 14.126 11.177 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.419 14.300 11.628 1.00 0.00 H new ATOM 1513 N VAL A 97 -8.426 9.209 12.808 1.00 0.00 N ATOM 1514 CA VAL A 97 -9.286 8.081 12.492 1.00 0.00 C ATOM 1515 C VAL A 97 -10.595 8.187 13.267 1.00 0.00 C ATOM 1516 O VAL A 97 -10.860 7.442 14.213 1.00 0.00 O ATOM 1517 CB VAL A 97 -8.583 6.729 12.753 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -7.509 6.495 11.703 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -7.970 6.678 14.147 1.00 0.00 C ATOM 0 H VAL A 97 -7.673 8.989 13.460 1.00 0.00 H new ATOM 0 HA VAL A 97 -9.510 8.115 11.426 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.333 5.941 12.690 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.017 5.541 11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.965 6.478 10.713 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.773 7.298 11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.484 5.714 14.296 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.233 7.475 14.250 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.753 6.809 14.894 1.00 0.00 H new ATOM 1529 N ASP A 98 -11.373 9.173 12.847 1.00 0.00 N ATOM 1530 CA ASP A 98 -12.653 9.537 13.454 1.00 0.00 C ATOM 1531 C ASP A 98 -13.503 8.329 13.803 1.00 0.00 C ATOM 1532 O ASP A 98 -13.693 7.995 14.975 1.00 0.00 O ATOM 1533 CB ASP A 98 -13.416 10.454 12.496 1.00 0.00 C ATOM 1534 CG ASP A 98 -14.626 11.105 13.131 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -15.702 10.476 13.165 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -14.510 12.267 13.569 1.00 0.00 O ATOM 0 H ASP A 98 -11.128 9.762 12.051 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.441 10.052 14.391 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.743 11.230 12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.735 9.877 11.628 1.00 0.00 H new ATOM 1541 N GLY A 99 -14.003 7.691 12.782 1.00 0.00 N ATOM 1542 CA GLY A 99 -14.859 6.534 12.961 1.00 0.00 C ATOM 1543 C GLY A 99 -14.519 5.423 11.996 1.00 0.00 C ATOM 1544 O GLY A 99 -15.349 5.023 11.178 1.00 0.00 O ATOM 0 H GLY A 99 -13.836 7.948 11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.764 6.168 13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.899 6.828 12.823 1.00 0.00 H new ATOM 1548 N LEU A 100 -13.295 4.928 12.082 1.00 0.00 N ATOM 1549 CA LEU A 100 -12.840 3.881 11.181 1.00 0.00 C ATOM 1550 C LEU A 100 -12.637 2.579 11.942 1.00 0.00 C ATOM 1551 O LEU A 100 -12.411 2.588 13.148 1.00 0.00 O ATOM 1552 CB LEU A 100 -11.531 4.277 10.496 1.00 0.00 C ATOM 1553 CG LEU A 100 -11.486 5.692 9.912 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -10.191 5.907 9.149 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -12.684 5.948 9.010 1.00 0.00 C ATOM 0 H LEU A 100 -12.601 5.233 12.764 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.607 3.741 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.720 4.176 11.218 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.334 3.567 9.693 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.528 6.402 10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.173 6.917 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.345 5.774 9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.124 5.185 8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.628 6.960 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.681 5.231 8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.603 5.837 9.585 1.00 0.00 H new ATOM 1567 N LYS A 101 -12.713 1.465 11.231 1.00 0.00 N ATOM 1568 CA LYS A 101 -12.516 0.161 11.843 1.00 0.00 C ATOM 1569 C LYS A 101 -11.091 -0.321 11.604 1.00 0.00 C ATOM 1570 O LYS A 101 -10.681 -0.544 10.465 1.00 0.00 O ATOM 1571 CB LYS A 101 -13.528 -0.842 11.292 1.00 0.00 C ATOM 1572 CG LYS A 101 -14.957 -0.549 11.718 1.00 0.00 C ATOM 1573 CD LYS A 101 -15.949 -1.470 11.026 1.00 0.00 C ATOM 1574 CE LYS A 101 -16.116 -1.113 9.557 1.00 0.00 C ATOM 1575 NZ LYS A 101 -16.709 0.241 9.381 1.00 0.00 N ATOM 0 H LYS A 101 -12.910 1.438 10.230 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.674 0.248 12.918 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -13.473 -0.842 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.255 -1.843 11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.046 -0.664 12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.201 0.488 11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.610 -2.502 11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -16.915 -1.408 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -15.146 -1.152 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.752 -1.854 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -17.102 0.326 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.467 0.381 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.973 0.963 9.519 1.00 0.00 H new ATOM 1589 N LEU A 102 -10.343 -0.473 12.680 1.00 0.00 N ATOM 1590 CA LEU A 102 -8.933 -0.811 12.598 1.00 0.00 C ATOM 1591 C LEU A 102 -8.722 -2.320 12.612 1.00 0.00 C ATOM 1592 O LEU A 102 -9.220 -3.017 13.496 1.00 0.00 O ATOM 1593 CB LEU A 102 -8.182 -0.168 13.771 1.00 0.00 C ATOM 1594 CG LEU A 102 -6.700 -0.532 13.890 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -5.949 -0.146 12.628 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -6.085 0.141 15.108 1.00 0.00 C ATOM 0 H LEU A 102 -10.693 -0.366 13.632 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.544 -0.427 11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.265 0.915 13.682 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.682 -0.451 14.697 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.620 -1.612 14.015 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.898 -0.414 12.734 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.374 -0.676 11.775 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.035 0.929 12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.031 -0.128 15.179 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.178 1.223 15.012 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.605 -0.189 16.007 1.00 0.00 H new ATOM 1608 N ILE A 103 -7.991 -2.823 11.626 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.584 -4.216 11.621 1.00 0.00 C ATOM 1610 C ILE A 103 -6.187 -4.337 12.220 1.00 0.00 C ATOM 1611 O ILE A 103 -5.185 -4.075 11.543 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.553 -4.846 10.209 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -8.712 -4.360 9.332 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -7.599 -6.362 10.336 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -8.606 -4.829 7.889 1.00 0.00 C ATOM 0 H ILE A 103 -7.669 -2.285 10.821 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.329 -4.753 12.208 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.628 -4.535 9.723 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.652 -4.714 9.755 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.743 -3.271 9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.577 -6.811 9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.737 -6.705 10.908 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.515 -6.657 10.848 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -9.456 -4.452 7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.681 -4.453 7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.605 -5.919 7.860 1.00 0.00 H new ATOM 1627 N GLU A 104 -6.135 -4.702 13.492 1.00 0.00 N ATOM 1628 CA GLU A 104 -4.882 -4.951 14.213 1.00 0.00 C ATOM 1629 C GLU A 104 -4.126 -6.183 13.686 1.00 0.00 C ATOM 1630 O GLU A 104 -3.295 -6.759 14.389 1.00 0.00 O ATOM 1631 CB GLU A 104 -5.144 -5.062 15.725 1.00 0.00 C ATOM 1632 CG GLU A 104 -6.398 -5.840 16.117 1.00 0.00 C ATOM 1633 CD GLU A 104 -6.308 -7.324 15.824 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -6.582 -7.728 14.675 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -5.979 -8.096 16.748 1.00 0.00 O ATOM 0 H GLU A 104 -6.968 -4.837 14.065 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.233 -4.094 14.032 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.281 -5.537 16.192 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.217 -4.056 16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.585 -5.699 17.182 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.254 -5.425 15.585 1.00 0.00 H new ATOM 1642 N SER A 105 -4.374 -6.532 12.430 1.00 0.00 N ATOM 1643 CA SER A 105 -3.794 -7.720 11.809 1.00 0.00 C ATOM 1644 C SER A 105 -3.865 -7.610 10.284 1.00 0.00 C ATOM 1645 O SER A 105 -3.714 -8.611 9.586 1.00 0.00 O ATOM 1646 CB SER A 105 -4.552 -8.985 12.246 1.00 0.00 C ATOM 1647 OG SER A 105 -4.561 -9.136 13.655 1.00 0.00 O ATOM 0 H SER A 105 -4.984 -5.999 11.810 1.00 0.00 H new ATOM 0 HA SER A 105 -2.754 -7.790 12.128 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.577 -8.938 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.090 -9.861 11.790 1.00 0.00 H new ATOM 0 HG SER A 105 -5.420 -8.827 14.012 1.00 0.00 H new ATOM 1653 N GLY A 106 -4.076 -6.371 9.796 1.00 0.00 N ATOM 1654 CA GLY A 106 -4.033 -6.056 8.365 1.00 0.00 C ATOM 1655 C GLY A 106 -4.568 -7.144 7.453 1.00 0.00 C ATOM 1656 O GLY A 106 -3.899 -7.530 6.491 1.00 0.00 O ATOM 0 H GLY A 106 -4.280 -5.565 10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.604 -5.144 8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -3.001 -5.844 8.086 1.00 0.00 H new ATOM 1660 N ASP A 107 -5.764 -7.631 7.741 1.00 0.00 N ATOM 1661 CA ASP A 107 -6.347 -8.708 6.956 1.00 0.00 C ATOM 1662 C ASP A 107 -7.815 -8.418 6.641 1.00 0.00 C ATOM 1663 O ASP A 107 -8.586 -8.031 7.516 1.00 0.00 O ATOM 1664 CB ASP A 107 -6.217 -10.034 7.706 1.00 0.00 C ATOM 1665 CG ASP A 107 -6.311 -11.224 6.779 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -7.415 -11.506 6.287 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -5.271 -11.869 6.531 1.00 0.00 O ATOM 0 H ASP A 107 -6.348 -7.300 8.509 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.805 -8.780 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -5.263 -10.060 8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.000 -10.101 8.461 1.00 0.00 H new ATOM 1672 N TRP A 108 -8.180 -8.604 5.381 1.00 0.00 N ATOM 1673 CA TRP A 108 -9.530 -8.331 4.896 1.00 0.00 C ATOM 1674 C TRP A 108 -10.344 -9.615 4.872 1.00 0.00 C ATOM 1675 O TRP A 108 -11.557 -9.609 4.654 1.00 0.00 O ATOM 1676 CB TRP A 108 -9.488 -7.708 3.483 1.00 0.00 C ATOM 1677 CG TRP A 108 -8.626 -8.469 2.525 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -9.013 -9.240 1.468 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -7.213 -8.518 2.564 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -7.903 -9.774 0.853 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -6.783 -9.344 1.518 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -6.275 -7.936 3.401 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -5.435 -9.604 1.295 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -4.956 -8.183 3.193 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -4.533 -9.017 2.143 1.00 0.00 C ATOM 0 H TRP A 108 -7.547 -8.950 4.660 1.00 0.00 H new ATOM 0 HA TRP A 108 -10.002 -7.619 5.574 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -10.502 -7.656 3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -9.122 -6.684 3.556 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -10.035 -9.406 1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -7.912 -10.387 0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -6.589 -7.293 4.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.112 -10.243 0.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.221 -7.732 3.844 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -3.478 -9.198 2.002 1.00 0.00 H new ATOM 1696 N LEU A 109 -9.656 -10.716 5.118 1.00 0.00 N ATOM 1697 CA LEU A 109 -10.237 -12.039 5.033 1.00 0.00 C ATOM 1698 C LEU A 109 -10.428 -12.616 6.423 1.00 0.00 C ATOM 1699 O LEU A 109 -10.597 -13.828 6.585 1.00 0.00 O ATOM 1700 CB LEU A 109 -9.311 -12.941 4.223 1.00 0.00 C ATOM 1701 CG LEU A 109 -9.003 -12.434 2.819 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -7.532 -12.626 2.495 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -9.878 -13.139 1.801 1.00 0.00 C ATOM 0 H LEU A 109 -8.671 -10.714 5.384 1.00 0.00 H new ATOM 0 HA LEU A 109 -11.209 -11.976 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.374 -13.060 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.763 -13.930 4.147 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.222 -11.367 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.330 -12.259 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.926 -12.072 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -7.282 -13.686 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.647 -12.767 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.690 -14.212 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.927 -12.946 2.027 1.00 0.00 H new