USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= -0.0024 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 11 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 76:sc= 0.458 USER MOD Single : A 22 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 87:sc= 1.18 USER MOD Single : A 46 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.22) USER MOD Single : A 51 ASN : amide:sc= -9.15! C(o=-9.1!,f=-11!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.309 USER MOD Single : A 57 ASN :FLIP amide:sc= -2.33 F(o=-5.3!,f=-2.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.098) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.067) USER MOD Single : A 81 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.18) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.37) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.340 24.791 -11.003 1.00 0.00 N ATOM 2 CA MET A 1 10.874 25.942 -11.771 1.00 0.00 C ATOM 3 C MET A 1 11.535 25.990 -13.129 1.00 0.00 C ATOM 4 O MET A 1 10.884 26.180 -14.165 1.00 0.00 O ATOM 5 CB MET A 1 11.142 27.250 -10.977 1.00 0.00 C ATOM 6 CG MET A 1 10.185 28.425 -11.272 1.00 0.00 C ATOM 7 SD MET A 1 11.034 29.987 -10.992 1.00 0.00 S ATOM 8 CE MET A 1 9.792 31.092 -11.678 1.00 0.00 C ATOM 0 H1 MET A 1 10.871 24.780 -10.075 1.00 0.00 H new ATOM 0 H2 MET A 1 11.111 23.916 -11.516 1.00 0.00 H new ATOM 0 H3 MET A 1 12.369 24.856 -10.870 1.00 0.00 H new ATOM 0 HA MET A 1 9.800 25.843 -11.931 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.090 27.023 -9.912 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.161 27.576 -11.184 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.834 28.371 -12.303 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.305 28.359 -10.632 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.137 32.123 -11.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.626 30.847 -12.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.859 30.977 -11.127 1.00 0.00 H new ATOM 9 N LYS A 2 13.003 25.805 -13.150 1.00 0.00 N ATOM 10 CA LYS A 2 13.760 25.764 -14.397 1.00 0.00 C ATOM 11 C LYS A 2 13.775 24.369 -14.976 1.00 0.00 C ATOM 12 O LYS A 2 14.323 23.425 -14.390 1.00 0.00 O ATOM 13 CB LYS A 2 15.204 26.276 -14.143 1.00 0.00 C ATOM 14 CG LYS A 2 15.260 27.566 -13.288 1.00 0.00 C ATOM 15 CD LYS A 2 16.292 28.600 -13.748 1.00 0.00 C ATOM 16 CE LYS A 2 15.563 29.813 -14.341 1.00 0.00 C ATOM 17 NZ LYS A 2 16.532 30.895 -14.585 1.00 0.00 N ATOM 0 H LYS A 2 13.572 25.696 -12.311 1.00 0.00 H new ATOM 0 HA LYS A 2 13.276 26.414 -15.126 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.776 25.494 -13.644 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.689 26.463 -15.101 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.274 28.031 -13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.478 27.291 -12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.913 28.910 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.957 28.161 -14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.070 29.535 -15.272 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.785 30.154 -13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.039 31.718 -14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.983 31.166 -13.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.259 30.566 -15.253 1.00 0.00 H new ATOM 18 N LYS A 3 13.066 24.185 -16.262 1.00 0.00 N ATOM 19 CA LYS A 3 12.927 22.872 -16.885 1.00 0.00 C ATOM 20 C LYS A 3 11.989 21.994 -16.090 1.00 0.00 C ATOM 21 O LYS A 3 11.700 22.247 -14.912 1.00 0.00 O ATOM 22 CB LYS A 3 14.327 22.212 -17.017 1.00 0.00 C ATOM 23 CG LYS A 3 14.435 21.231 -18.211 1.00 0.00 C ATOM 24 CD LYS A 3 14.757 19.784 -17.830 1.00 0.00 C ATOM 25 CE LYS A 3 16.262 19.538 -18.001 1.00 0.00 C ATOM 26 NZ LYS A 3 16.549 19.226 -19.412 1.00 0.00 N ATOM 0 H LYS A 3 12.636 24.946 -16.788 1.00 0.00 H new ATOM 0 HA LYS A 3 12.497 22.994 -17.879 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.079 22.993 -17.129 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.557 21.677 -16.095 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.494 21.246 -18.761 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.207 21.593 -18.891 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.460 19.593 -16.799 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.191 19.096 -18.458 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.823 20.419 -17.690 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.582 18.715 -17.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.569 19.059 -19.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.024 18.374 -19.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.258 20.025 -20.010 1.00 0.00 H new ATOM 27 N ALA A 4 11.422 20.828 -16.801 1.00 0.00 N ATOM 28 CA ALA A 4 10.543 19.869 -16.137 1.00 0.00 C ATOM 29 C ALA A 4 11.342 18.872 -15.332 1.00 0.00 C ATOM 30 O ALA A 4 12.471 18.504 -15.684 1.00 0.00 O ATOM 31 CB ALA A 4 9.676 19.204 -17.220 1.00 0.00 C ATOM 0 H ALA A 4 11.603 20.620 -17.783 1.00 0.00 H new ATOM 0 HA ALA A 4 9.892 20.369 -15.420 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.006 18.480 -16.756 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.088 19.965 -17.734 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.318 18.695 -17.939 1.00 0.00 H new ATOM 32 N THR A 5 10.707 18.371 -14.094 1.00 0.00 N ATOM 33 CA THR A 5 11.351 17.375 -13.242 1.00 0.00 C ATOM 34 C THR A 5 11.035 15.974 -13.714 1.00 0.00 C ATOM 35 O THR A 5 9.879 15.626 -13.989 1.00 0.00 O ATOM 36 CB THR A 5 10.921 17.565 -11.749 1.00 0.00 C ATOM 37 OG1 THR A 5 10.610 18.928 -11.490 1.00 0.00 O ATOM 38 CG2 THR A 5 11.975 17.200 -10.681 1.00 0.00 C ATOM 0 H THR A 5 9.795 18.681 -13.759 1.00 0.00 H new ATOM 0 HA THR A 5 12.429 17.519 -13.310 1.00 0.00 H new ATOM 0 HB THR A 5 10.078 16.879 -11.658 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.341 19.030 -10.553 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.561 17.373 -9.688 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.247 16.149 -10.783 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.861 17.819 -10.818 1.00 0.00 H new ATOM 39 N CYS A 6 12.186 15.058 -13.866 1.00 0.00 N ATOM 40 CA CYS A 6 12.042 13.722 -14.436 1.00 0.00 C ATOM 41 C CYS A 6 11.373 12.785 -13.459 1.00 0.00 C ATOM 42 O CYS A 6 10.802 11.751 -13.833 1.00 0.00 O ATOM 43 CB CYS A 6 13.433 13.222 -14.873 1.00 0.00 C ATOM 44 SG CYS A 6 14.390 12.667 -13.444 1.00 0.00 S ATOM 0 H CYS A 6 13.139 15.294 -13.588 1.00 0.00 H new ATOM 0 HA CYS A 6 11.394 13.756 -15.312 1.00 0.00 H new ATOM 0 HB2 CYS A 6 13.324 12.403 -15.584 1.00 0.00 H new ATOM 0 HB3 CYS A 6 13.967 14.021 -15.387 1.00 0.00 H new ATOM 0 HG CYS A 6 15.556 12.249 -13.838 1.00 0.00 H new ATOM 45 N LEU A 7 11.450 13.162 -12.031 1.00 0.00 N ATOM 46 CA LEU A 7 10.736 12.418 -10.996 1.00 0.00 C ATOM 47 C LEU A 7 9.243 12.495 -11.210 1.00 0.00 C ATOM 48 O LEU A 7 8.576 13.462 -10.816 1.00 0.00 O ATOM 49 CB LEU A 7 11.125 12.937 -9.583 1.00 0.00 C ATOM 50 CG LEU A 7 12.325 12.263 -8.862 1.00 0.00 C ATOM 51 CD1 LEU A 7 13.274 11.635 -9.893 1.00 0.00 C ATOM 52 CD2 LEU A 7 13.105 13.238 -7.966 1.00 0.00 C ATOM 0 H LEU A 7 11.995 13.950 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 7 11.029 11.370 -11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.341 14.002 -9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.251 12.839 -8.939 1.00 0.00 H new ATOM 0 HG LEU A 7 11.911 11.490 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.112 11.165 -9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.737 10.884 -10.472 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.648 12.410 -10.562 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.931 12.712 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.497 14.055 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.441 13.640 -7.201 1.00 0.00 H new ATOM 53 N THR A 8 8.617 11.335 -11.881 1.00 0.00 N ATOM 54 CA THR A 8 7.219 11.345 -12.302 1.00 0.00 C ATOM 55 C THR A 8 6.377 10.441 -11.433 1.00 0.00 C ATOM 56 O THR A 8 6.832 9.399 -10.941 1.00 0.00 O ATOM 57 CB THR A 8 7.095 10.933 -13.808 1.00 0.00 C ATOM 58 OG1 THR A 8 8.049 9.929 -14.129 1.00 0.00 O ATOM 59 CG2 THR A 8 7.344 12.049 -14.846 1.00 0.00 C ATOM 0 H THR A 8 9.111 10.467 -12.090 1.00 0.00 H new ATOM 0 HA THR A 8 6.843 12.362 -12.187 1.00 0.00 H new ATOM 0 HB THR A 8 6.055 10.614 -13.881 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.958 9.681 -15.073 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.230 11.643 -15.851 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.624 12.853 -14.696 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.354 12.440 -14.725 1.00 0.00 H new ATOM 60 N ASP A 9 4.991 10.889 -11.172 1.00 0.00 N ATOM 61 CA ASP A 9 4.019 10.035 -10.497 1.00 0.00 C ATOM 62 C ASP A 9 4.015 8.649 -11.100 1.00 0.00 C ATOM 63 O ASP A 9 3.574 7.669 -10.484 1.00 0.00 O ATOM 64 CB ASP A 9 2.611 10.684 -10.535 1.00 0.00 C ATOM 65 CG ASP A 9 2.316 11.759 -9.479 1.00 0.00 C ATOM 66 OD1 ASP A 9 2.895 12.835 -9.443 1.00 0.00 O ATOM 67 OD2 ASP A 9 1.326 11.391 -8.610 1.00 0.00 O ATOM 0 H ASP A 9 4.630 11.804 -11.440 1.00 0.00 H new ATOM 0 HA ASP A 9 4.308 9.933 -9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.468 11.127 -11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.869 9.892 -10.431 1.00 0.00 H new ATOM 68 N ASP A 10 4.533 8.539 -12.482 1.00 0.00 N ATOM 69 CA ASP A 10 4.590 7.262 -13.187 1.00 0.00 C ATOM 70 C ASP A 10 5.613 6.343 -12.563 1.00 0.00 C ATOM 71 O ASP A 10 5.317 5.207 -12.162 1.00 0.00 O ATOM 72 CB ASP A 10 4.862 7.489 -14.697 1.00 0.00 C ATOM 73 CG ASP A 10 5.071 6.233 -15.556 1.00 0.00 C ATOM 74 OD1 ASP A 10 3.897 5.616 -15.887 1.00 0.00 O ATOM 75 OD2 ASP A 10 6.175 5.833 -15.895 1.00 0.00 O ATOM 0 H ASP A 10 4.878 9.332 -13.023 1.00 0.00 H new ATOM 0 HA ASP A 10 3.621 6.771 -13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.025 8.050 -15.113 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.747 8.118 -14.793 1.00 0.00 H new ATOM 76 N GLN A 11 6.987 6.878 -12.422 1.00 0.00 N ATOM 77 CA GLN A 11 8.079 6.060 -11.898 1.00 0.00 C ATOM 78 C GLN A 11 7.835 5.714 -10.446 1.00 0.00 C ATOM 79 O GLN A 11 8.169 4.630 -9.951 1.00 0.00 O ATOM 80 CB GLN A 11 9.403 6.834 -12.065 1.00 0.00 C ATOM 81 CG GLN A 11 9.751 7.308 -13.515 1.00 0.00 C ATOM 82 CD GLN A 11 11.207 7.242 -13.993 1.00 0.00 C ATOM 83 OE1 GLN A 11 11.484 7.287 -15.181 1.00 0.00 O ATOM 84 NE2 GLN A 11 12.177 7.142 -13.121 1.00 0.00 N ATOM 0 H GLN A 11 7.257 7.829 -12.675 1.00 0.00 H new ATOM 0 HA GLN A 11 8.136 5.123 -12.453 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.371 7.710 -11.417 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.216 6.202 -11.707 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.151 6.716 -14.207 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.421 8.342 -13.611 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.965 7.103 -12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.146 7.103 -13.438 1.00 0.00 H new ATOM 85 N ARG A 12 7.205 6.777 -9.633 1.00 0.00 N ATOM 86 CA ARG A 12 6.727 6.587 -8.271 1.00 0.00 C ATOM 87 C ARG A 12 5.924 5.318 -8.114 1.00 0.00 C ATOM 88 O ARG A 12 6.288 4.306 -7.469 1.00 0.00 O ATOM 89 CB ARG A 12 5.816 7.817 -7.925 1.00 0.00 C ATOM 90 CG ARG A 12 6.548 9.067 -7.385 1.00 0.00 C ATOM 91 CD ARG A 12 7.107 8.896 -5.967 1.00 0.00 C ATOM 92 NE ARG A 12 6.849 10.153 -5.217 1.00 0.00 N ATOM 93 CZ ARG A 12 7.599 11.246 -5.266 1.00 0.00 C ATOM 94 NH1 ARG A 12 8.678 11.364 -5.981 1.00 0.00 N ATOM 95 NH2 ARG A 12 7.226 12.253 -4.558 1.00 0.00 N ATOM 0 H ARG A 12 7.063 7.725 -9.981 1.00 0.00 H new ATOM 0 HA ARG A 12 7.584 6.506 -7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.266 8.101 -8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.080 7.503 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.367 9.316 -8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.859 9.912 -7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.632 8.051 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.176 8.685 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 12 6.026 10.177 -4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.998 10.583 -6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.205 12.237 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.382 12.191 -3.988 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.774 13.113 -4.566 1.00 0.00 H new ATOM 96 N TRP A 13 4.581 5.354 -8.768 1.00 0.00 N ATOM 97 CA TRP A 13 3.622 4.281 -8.541 1.00 0.00 C ATOM 98 C TRP A 13 4.083 3.024 -9.250 1.00 0.00 C ATOM 99 O TRP A 13 3.673 1.903 -8.923 1.00 0.00 O ATOM 100 CB TRP A 13 2.206 4.695 -9.044 1.00 0.00 C ATOM 101 CG TRP A 13 1.332 3.429 -9.180 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.057 2.744 -10.379 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.779 2.684 -8.164 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.325 1.565 -10.134 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.173 1.546 -8.754 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.770 2.869 -6.757 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.451 0.584 -7.929 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.130 1.914 -5.968 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.474 0.788 -6.546 1.00 0.00 C ATOM 0 H TRP A 13 4.259 6.097 -9.389 1.00 0.00 H new ATOM 0 HA TRP A 13 3.561 4.086 -7.470 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.748 5.396 -8.346 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.282 5.205 -10.004 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.367 3.078 -11.358 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.014 0.884 -10.813 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.247 3.728 -6.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.904 -0.296 -8.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.099 2.043 -4.896 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.966 0.066 -5.911 1.00 0.00 H new ATOM 110 N GLN A 14 5.022 3.225 -10.380 1.00 0.00 N ATOM 111 CA GLN A 14 5.697 2.090 -11.013 1.00 0.00 C ATOM 112 C GLN A 14 6.515 1.359 -9.966 1.00 0.00 C ATOM 113 O GLN A 14 6.608 0.125 -9.955 1.00 0.00 O ATOM 114 CB GLN A 14 6.576 2.577 -12.178 1.00 0.00 C ATOM 115 CG GLN A 14 7.346 1.466 -12.972 1.00 0.00 C ATOM 116 CD GLN A 14 6.738 0.918 -14.269 1.00 0.00 C ATOM 117 OE1 GLN A 14 6.411 -0.254 -14.367 1.00 0.00 O ATOM 118 NE2 GLN A 14 6.555 1.713 -15.292 1.00 0.00 N ATOM 0 H GLN A 14 5.253 4.135 -10.779 1.00 0.00 H new ATOM 0 HA GLN A 14 4.961 1.400 -11.427 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.945 3.124 -12.878 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.305 3.286 -11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.334 1.859 -13.213 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.494 0.623 -12.297 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.822 2.695 -15.229 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.145 1.350 -16.153 1.00 0.00 H new ATOM 119 N SER A 15 7.226 2.223 -8.987 1.00 0.00 N ATOM 120 CA SER A 15 7.862 1.635 -7.807 1.00 0.00 C ATOM 121 C SER A 15 6.913 0.596 -7.228 1.00 0.00 C ATOM 122 O SER A 15 7.241 -0.587 -7.092 1.00 0.00 O ATOM 123 CB SER A 15 8.289 2.670 -6.743 1.00 0.00 C ATOM 124 OG SER A 15 8.959 3.806 -7.305 1.00 0.00 O ATOM 0 H SER A 15 7.316 3.236 -9.066 1.00 0.00 H new ATOM 0 HA SER A 15 8.796 1.170 -8.122 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.407 3.008 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.946 2.189 -6.019 1.00 0.00 H new ATOM 0 HG SER A 15 8.302 4.396 -7.731 1.00 0.00 H new ATOM 125 N VAL A 16 5.546 1.106 -6.902 1.00 0.00 N ATOM 126 CA VAL A 16 4.584 0.209 -6.258 1.00 0.00 C ATOM 127 C VAL A 16 4.243 -1.025 -7.053 1.00 0.00 C ATOM 128 O VAL A 16 4.308 -2.175 -6.541 1.00 0.00 O ATOM 129 CB VAL A 16 3.285 0.970 -5.797 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.520 0.342 -4.589 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.521 2.445 -5.394 1.00 0.00 C ATOM 0 H VAL A 16 5.209 2.050 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 16 5.103 -0.155 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 16 2.688 0.887 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.644 0.948 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.205 -0.670 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.177 0.309 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.576 2.895 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.226 2.487 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.927 2.994 -6.244 1.00 0.00 H new ATOM 132 N LEU A 17 3.774 -0.864 -8.444 1.00 0.00 N ATOM 133 CA LEU A 17 3.367 -2.011 -9.280 1.00 0.00 C ATOM 134 C LEU A 17 4.338 -3.147 -9.087 1.00 0.00 C ATOM 135 O LEU A 17 3.999 -4.330 -8.959 1.00 0.00 O ATOM 136 CB LEU A 17 3.312 -1.590 -10.775 1.00 0.00 C ATOM 137 CG LEU A 17 2.062 -0.783 -11.235 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.019 -0.697 -12.765 1.00 0.00 C ATOM 139 CD2 LEU A 17 0.751 -1.393 -10.713 1.00 0.00 C ATOM 0 H LEU A 17 3.701 0.039 -8.913 1.00 0.00 H new ATOM 0 HA LEU A 17 2.373 -2.341 -8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.199 -0.995 -10.992 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.376 -2.492 -11.384 1.00 0.00 H new ATOM 0 HG LEU A 17 2.153 0.217 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.140 -0.130 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.918 -0.198 -13.127 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.968 -1.702 -13.185 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.092 -0.795 -11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.651 -2.413 -11.085 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.764 -1.404 -9.623 1.00 0.00 H new ATOM 140 N ALA A 18 5.770 -2.741 -9.101 1.00 0.00 N ATOM 141 CA ALA A 18 6.870 -3.689 -8.999 1.00 0.00 C ATOM 142 C ALA A 18 7.067 -4.227 -7.602 1.00 0.00 C ATOM 143 O ALA A 18 6.401 -5.174 -7.162 1.00 0.00 O ATOM 144 CB ALA A 18 8.136 -2.986 -9.540 1.00 0.00 C ATOM 0 H ALA A 18 6.073 -1.771 -9.183 1.00 0.00 H new ATOM 0 HA ALA A 18 6.642 -4.573 -9.595 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.985 -3.667 -9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.976 -2.697 -10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.341 -2.097 -8.944 1.00 0.00 H new ATOM 145 N ARG A 19 8.131 -3.583 -6.799 1.00 0.00 N ATOM 146 CA ARG A 19 8.599 -4.121 -5.528 1.00 0.00 C ATOM 147 C ARG A 19 9.704 -3.259 -4.958 1.00 0.00 C ATOM 148 O ARG A 19 10.631 -3.753 -4.300 1.00 0.00 O ATOM 149 CB ARG A 19 9.088 -5.581 -5.748 1.00 0.00 C ATOM 150 CG ARG A 19 9.753 -5.853 -7.123 1.00 0.00 C ATOM 151 CD ARG A 19 10.822 -6.951 -7.055 1.00 0.00 C ATOM 152 NE ARG A 19 10.236 -8.209 -7.582 1.00 0.00 N ATOM 153 CZ ARG A 19 10.923 -9.269 -7.986 1.00 0.00 C ATOM 154 NH1 ARG A 19 12.221 -9.349 -7.977 1.00 0.00 N ATOM 155 NH2 ARG A 19 10.255 -10.282 -8.413 1.00 0.00 N ATOM 0 H ARG A 19 8.604 -2.725 -7.082 1.00 0.00 H new ATOM 0 HA ARG A 19 7.781 -4.121 -4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.800 -5.831 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.238 -6.253 -5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.987 -6.142 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.206 -4.933 -7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.696 -6.666 -7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.158 -7.090 -6.027 1.00 0.00 H new ATOM 0 HE ARG A 19 9.219 -8.263 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.778 -8.562 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.682 -10.198 -8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.236 -10.250 -8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.745 -11.118 -8.733 1.00 0.00 H new ATOM 156 N ASP A 20 9.639 -1.815 -5.265 1.00 0.00 N ATOM 157 CA ASP A 20 10.729 -0.892 -4.966 1.00 0.00 C ATOM 158 C ASP A 20 11.363 -1.187 -3.627 1.00 0.00 C ATOM 159 O ASP A 20 10.693 -1.531 -2.646 1.00 0.00 O ATOM 160 CB ASP A 20 10.245 0.578 -5.063 1.00 0.00 C ATOM 161 CG ASP A 20 11.117 1.635 -4.370 1.00 0.00 C ATOM 162 OD1 ASP A 20 11.399 1.589 -3.181 1.00 0.00 O ATOM 163 OD2 ASP A 20 11.558 2.605 -5.227 1.00 0.00 O ATOM 0 H ASP A 20 8.832 -1.371 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 20 11.505 -1.038 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.164 0.841 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.241 0.635 -4.642 1.00 0.00 H new ATOM 164 N PRO A 21 12.833 -1.050 -3.575 1.00 0.00 N ATOM 165 CA PRO A 21 13.731 -1.303 -2.350 1.00 0.00 C ATOM 166 C PRO A 21 13.063 -1.062 -1.020 1.00 0.00 C ATOM 167 O PRO A 21 12.307 -1.944 -0.535 1.00 0.00 O ATOM 168 CB PRO A 21 14.931 -0.393 -2.568 1.00 0.00 C ATOM 169 CG PRO A 21 15.154 -0.620 -4.083 1.00 0.00 C ATOM 170 CD PRO A 21 13.742 -0.646 -4.675 1.00 0.00 C ATOM 0 HA PRO A 21 14.003 -2.357 -2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.716 0.648 -2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.793 -0.687 -1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.754 0.178 -4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.681 -1.555 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.467 0.334 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.682 -1.349 -5.506 1.00 0.00 H new ATOM 171 N ASN A 22 13.331 0.182 -0.276 1.00 0.00 N ATOM 172 CA ASN A 22 12.578 0.541 0.932 1.00 0.00 C ATOM 173 C ASN A 22 11.387 1.374 0.511 1.00 0.00 C ATOM 174 O ASN A 22 10.232 0.942 0.420 1.00 0.00 O ATOM 175 CB ASN A 22 13.504 1.372 1.865 1.00 0.00 C ATOM 176 CG ASN A 22 12.875 2.155 3.022 1.00 0.00 C ATOM 177 OD1 ASN A 22 12.373 1.603 3.990 1.00 0.00 O ATOM 178 ND2 ASN A 22 12.900 3.460 2.983 1.00 0.00 N ATOM 0 H ASN A 22 14.042 0.862 -0.545 1.00 0.00 H new ATOM 0 HA ASN A 22 12.238 -0.348 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.241 0.691 2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.048 2.083 1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.505 4.001 3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.315 3.938 2.183 1.00 0.00 H new ATOM 179 N ALA A 23 11.713 2.779 0.164 1.00 0.00 N ATOM 180 CA ALA A 23 10.806 3.706 -0.494 1.00 0.00 C ATOM 181 C ALA A 23 11.611 4.838 -1.123 1.00 0.00 C ATOM 182 O ALA A 23 12.024 5.774 -0.429 1.00 0.00 O ATOM 183 CB ALA A 23 9.778 4.202 0.531 1.00 0.00 C ATOM 0 H ALA A 23 12.621 3.194 0.372 1.00 0.00 H new ATOM 0 HA ALA A 23 10.258 3.218 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.091 4.899 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.218 3.354 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.293 4.707 1.348 1.00 0.00 H new ATOM 184 N ASP A 24 11.884 4.690 -2.568 1.00 0.00 N ATOM 185 CA ASP A 24 12.794 5.593 -3.274 1.00 0.00 C ATOM 186 C ASP A 24 12.674 7.001 -2.706 1.00 0.00 C ATOM 187 O ASP A 24 11.636 7.677 -2.703 1.00 0.00 O ATOM 188 CB ASP A 24 12.528 5.555 -4.798 1.00 0.00 C ATOM 189 CG ASP A 24 13.677 5.059 -5.690 1.00 0.00 C ATOM 190 OD1 ASP A 24 14.776 4.753 -5.252 1.00 0.00 O ATOM 191 OD2 ASP A 24 13.342 5.025 -7.015 1.00 0.00 O ATOM 0 H ASP A 24 11.468 3.967 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 24 13.821 5.260 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.661 4.919 -4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.257 6.560 -5.121 1.00 0.00 H new ATOM 192 N GLY A 25 13.901 7.487 -2.030 1.00 0.00 N ATOM 193 CA GLY A 25 14.041 8.801 -1.359 1.00 0.00 C ATOM 194 C GLY A 25 13.644 8.503 0.096 1.00 0.00 C ATOM 195 O GLY A 25 14.452 8.118 0.947 1.00 0.00 O ATOM 0 H GLY A 25 14.753 6.928 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.061 9.180 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.391 9.552 -1.807 1.00 0.00 H new ATOM 196 N GLU A 26 12.208 8.678 0.362 1.00 0.00 N ATOM 197 CA GLU A 26 11.563 8.155 1.559 1.00 0.00 C ATOM 198 C GLU A 26 10.066 8.115 1.352 1.00 0.00 C ATOM 199 O GLU A 26 9.272 8.134 2.302 1.00 0.00 O ATOM 200 CB GLU A 26 12.042 9.021 2.764 1.00 0.00 C ATOM 201 CG GLU A 26 13.205 8.441 3.635 1.00 0.00 C ATOM 202 CD GLU A 26 14.577 9.114 3.568 1.00 0.00 C ATOM 203 OE1 GLU A 26 14.528 10.428 3.213 1.00 0.00 O ATOM 204 OE2 GLU A 26 15.621 8.523 3.812 1.00 0.00 O ATOM 0 H GLU A 26 11.575 9.172 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 26 11.842 7.124 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.357 9.991 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.186 9.198 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.879 8.457 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.336 7.395 3.358 1.00 0.00 H new ATOM 205 N PHE A 27 9.600 8.030 -0.063 1.00 0.00 N ATOM 206 CA PHE A 27 8.193 8.229 -0.390 1.00 0.00 C ATOM 207 C PHE A 27 7.235 7.217 0.184 1.00 0.00 C ATOM 208 O PHE A 27 7.583 6.112 0.618 1.00 0.00 O ATOM 209 CB PHE A 27 7.972 8.361 -1.923 1.00 0.00 C ATOM 210 CG PHE A 27 7.699 7.087 -2.740 1.00 0.00 C ATOM 211 CD1 PHE A 27 6.504 6.373 -2.609 1.00 0.00 C ATOM 212 CD2 PHE A 27 8.665 6.645 -3.654 1.00 0.00 C ATOM 213 CE1 PHE A 27 6.283 5.232 -3.377 1.00 0.00 C ATOM 214 CE2 PHE A 27 8.443 5.507 -4.419 1.00 0.00 C ATOM 215 CZ PHE A 27 7.251 4.799 -4.282 1.00 0.00 C ATOM 0 H PHE A 27 10.205 7.836 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 27 7.950 9.169 0.105 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.134 9.040 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.855 8.842 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.751 6.707 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 27 9.589 7.193 -3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.360 4.682 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.194 5.171 -5.119 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.077 3.915 -4.877 1.00 0.00 H new ATOM 216 N VAL A 28 5.811 7.647 0.234 1.00 0.00 N ATOM 217 CA VAL A 28 4.751 6.897 0.904 1.00 0.00 C ATOM 218 C VAL A 28 3.446 7.068 0.148 1.00 0.00 C ATOM 219 O VAL A 28 3.246 8.111 -0.518 1.00 0.00 O ATOM 220 CB VAL A 28 4.608 7.399 2.393 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.929 7.502 3.213 1.00 0.00 C ATOM 222 CG2 VAL A 28 3.942 8.792 2.528 1.00 0.00 C ATOM 0 H VAL A 28 5.480 8.507 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 28 5.004 5.837 0.919 1.00 0.00 H new ATOM 0 HB VAL A 28 3.983 6.604 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.706 7.857 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.399 6.520 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.607 8.201 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.880 9.065 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.537 9.533 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.939 8.758 2.103 1.00 0.00 H new ATOM 223 N PHE A 29 2.423 6.006 0.209 1.00 0.00 N ATOM 224 CA PHE A 29 1.219 6.030 -0.633 1.00 0.00 C ATOM 225 C PHE A 29 -0.001 5.752 0.214 1.00 0.00 C ATOM 226 O PHE A 29 0.054 4.990 1.194 1.00 0.00 O ATOM 227 CB PHE A 29 1.311 4.974 -1.772 1.00 0.00 C ATOM 228 CG PHE A 29 1.157 3.496 -1.380 1.00 0.00 C ATOM 229 CD1 PHE A 29 1.557 3.048 -0.119 1.00 0.00 C ATOM 230 CD2 PHE A 29 0.652 2.578 -2.308 1.00 0.00 C ATOM 231 CE1 PHE A 29 1.455 1.699 0.211 1.00 0.00 C ATOM 232 CE2 PHE A 29 0.540 1.232 -1.975 1.00 0.00 C ATOM 233 CZ PHE A 29 0.944 0.792 -0.717 1.00 0.00 C ATOM 0 H PHE A 29 2.483 5.198 0.829 1.00 0.00 H new ATOM 0 HA PHE A 29 1.139 7.019 -1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.545 5.208 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.276 5.093 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.947 3.750 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.348 2.916 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.771 1.355 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.140 0.529 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.861 -0.254 -0.460 1.00 0.00 H new ATOM 234 N ALA A 30 -1.248 6.455 -0.150 1.00 0.00 N ATOM 235 CA ALA A 30 -2.436 6.408 0.698 1.00 0.00 C ATOM 236 C ALA A 30 -3.645 5.972 -0.096 1.00 0.00 C ATOM 237 O ALA A 30 -4.276 6.761 -0.811 1.00 0.00 O ATOM 238 CB ALA A 30 -2.610 7.796 1.337 1.00 0.00 C ATOM 0 H ALA A 30 -1.361 7.008 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.321 5.668 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.492 7.793 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.729 8.035 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.733 8.544 0.554 1.00 0.00 H new ATOM 239 N VAL A 31 -4.050 4.558 0.058 1.00 0.00 N ATOM 240 CA VAL A 31 -5.262 4.034 -0.572 1.00 0.00 C ATOM 241 C VAL A 31 -6.457 4.260 0.321 1.00 0.00 C ATOM 242 O VAL A 31 -6.657 3.573 1.334 1.00 0.00 O ATOM 243 CB VAL A 31 -5.057 2.512 -0.935 1.00 0.00 C ATOM 244 CG1 VAL A 31 -5.216 1.480 0.215 1.00 0.00 C ATOM 245 CG2 VAL A 31 -5.979 2.001 -2.070 1.00 0.00 C ATOM 0 H VAL A 31 -3.526 3.871 0.600 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.457 4.569 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.010 2.550 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.049 0.475 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.488 1.693 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.223 1.547 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.775 0.947 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.021 2.122 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.791 2.574 -2.978 1.00 0.00 H new ATOM 246 N ARG A 32 -7.365 5.372 -0.051 1.00 0.00 N ATOM 247 CA ARG A 32 -8.446 5.802 0.829 1.00 0.00 C ATOM 248 C ARG A 32 -9.675 4.930 0.742 1.00 0.00 C ATOM 249 O ARG A 32 -10.792 5.370 1.094 1.00 0.00 O ATOM 250 CB ARG A 32 -8.789 7.286 0.508 1.00 0.00 C ATOM 251 CG ARG A 32 -9.475 7.518 -0.863 1.00 0.00 C ATOM 252 CD ARG A 32 -11.007 7.423 -0.776 1.00 0.00 C ATOM 253 NE ARG A 32 -11.585 8.273 -1.847 1.00 0.00 N ATOM 254 CZ ARG A 32 -12.563 9.157 -1.714 1.00 0.00 C ATOM 255 NH1 ARG A 32 -13.171 9.419 -0.596 1.00 0.00 N ATOM 256 NH2 ARG A 32 -12.933 9.798 -2.768 1.00 0.00 N ATOM 0 H ARG A 32 -7.297 5.897 -0.923 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.098 5.706 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.440 7.671 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.870 7.871 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.196 8.500 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.108 6.782 -1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.331 6.389 -0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.354 7.756 0.202 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.189 8.166 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.903 8.929 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.917 10.115 -0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.477 9.616 -3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.683 10.487 -2.709 1.00 0.00 H new ATOM 257 N THR A 33 -9.525 3.537 0.271 1.00 0.00 N ATOM 258 CA THR A 33 -10.654 2.606 0.226 1.00 0.00 C ATOM 259 C THR A 33 -10.536 1.568 1.317 1.00 0.00 C ATOM 260 O THR A 33 -11.532 1.110 1.893 1.00 0.00 O ATOM 261 CB THR A 33 -10.750 1.926 -1.180 1.00 0.00 C ATOM 262 OG1 THR A 33 -12.080 1.488 -1.432 1.00 0.00 O ATOM 263 CG2 THR A 33 -9.883 0.665 -1.393 1.00 0.00 C ATOM 0 H THR A 33 -8.642 3.139 -0.048 1.00 0.00 H new ATOM 0 HA THR A 33 -11.571 3.171 0.395 1.00 0.00 H new ATOM 0 HB THR A 33 -10.394 2.712 -1.846 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.124 1.066 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.035 0.285 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.832 0.919 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.170 -0.100 -0.671 1.00 0.00 H new ATOM 264 N THR A 34 -9.166 1.120 1.648 1.00 0.00 N ATOM 265 CA THR A 34 -8.883 0.252 2.786 1.00 0.00 C ATOM 266 C THR A 34 -8.428 1.052 3.984 1.00 0.00 C ATOM 267 O THR A 34 -8.180 0.499 5.069 1.00 0.00 O ATOM 268 CB THR A 34 -7.812 -0.826 2.404 1.00 0.00 C ATOM 269 OG1 THR A 34 -8.065 -1.341 1.103 1.00 0.00 O ATOM 270 CG2 THR A 34 -7.745 -2.075 3.309 1.00 0.00 C ATOM 0 H THR A 34 -8.340 1.384 1.111 1.00 0.00 H new ATOM 0 HA THR A 34 -9.808 -0.258 3.056 1.00 0.00 H new ATOM 0 HB THR A 34 -6.877 -0.274 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.386 -2.012 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.968 -2.747 2.945 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.514 -1.772 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.706 -2.589 3.292 1.00 0.00 H new ATOM 271 N GLY A 35 -8.279 2.514 3.812 1.00 0.00 N ATOM 272 CA GLY A 35 -8.003 3.395 4.944 1.00 0.00 C ATOM 273 C GLY A 35 -6.651 3.097 5.546 1.00 0.00 C ATOM 274 O GLY A 35 -6.494 3.008 6.774 1.00 0.00 O ATOM 0 H GLY A 35 -8.357 2.993 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.038 4.434 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.777 3.273 5.702 1.00 0.00 H new ATOM 275 N ILE A 36 -5.531 2.879 4.603 1.00 0.00 N ATOM 276 CA ILE A 36 -4.152 2.749 5.062 1.00 0.00 C ATOM 277 C ILE A 36 -3.199 3.541 4.200 1.00 0.00 C ATOM 278 O ILE A 36 -3.346 3.624 2.969 1.00 0.00 O ATOM 279 CB ILE A 36 -3.721 1.227 5.179 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.345 0.527 3.835 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.803 0.353 5.891 1.00 0.00 C ATOM 282 CD1 ILE A 36 -2.140 -0.436 3.887 1.00 0.00 C ATOM 0 H ILE A 36 -5.646 2.807 3.592 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.100 3.176 6.064 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.814 1.287 5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.214 -0.029 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.137 1.298 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.459 -0.680 5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.972 0.733 6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.734 0.396 5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.972 -0.863 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.251 0.110 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.345 -1.237 4.598 1.00 0.00 H new ATOM 283 N PHE A 37 -2.091 4.227 4.897 1.00 0.00 N ATOM 284 CA PHE A 37 -0.984 4.880 4.173 1.00 0.00 C ATOM 285 C PHE A 37 0.296 4.142 4.490 1.00 0.00 C ATOM 286 O PHE A 37 0.634 3.962 5.688 1.00 0.00 O ATOM 287 CB PHE A 37 -0.828 6.368 4.598 1.00 0.00 C ATOM 288 CG PHE A 37 0.001 6.660 5.861 1.00 0.00 C ATOM 289 CD1 PHE A 37 -0.604 6.614 7.120 1.00 0.00 C ATOM 290 CD2 PHE A 37 1.347 7.034 5.754 1.00 0.00 C ATOM 291 CE1 PHE A 37 0.130 6.931 8.260 1.00 0.00 C ATOM 292 CE2 PHE A 37 2.080 7.339 6.896 1.00 0.00 C ATOM 293 CZ PHE A 37 1.472 7.290 8.148 1.00 0.00 C ATOM 0 H PHE A 37 -2.019 4.293 5.912 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.200 4.852 3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.378 6.910 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.825 6.782 4.746 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.643 6.332 7.209 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.816 7.086 4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.341 6.899 9.231 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.121 7.614 6.812 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.041 7.531 9.034 1.00 0.00 H new ATOM 294 N CYS A 38 1.118 3.602 3.390 1.00 0.00 N ATOM 295 CA CYS A 38 2.241 2.704 3.631 1.00 0.00 C ATOM 296 C CYS A 38 3.440 3.027 2.780 1.00 0.00 C ATOM 297 O CYS A 38 3.357 3.772 1.788 1.00 0.00 O ATOM 298 CB CYS A 38 1.749 1.254 3.336 1.00 0.00 C ATOM 299 SG CYS A 38 3.044 0.046 3.705 1.00 0.00 S ATOM 0 H CYS A 38 0.958 3.817 2.406 1.00 0.00 H new ATOM 0 HA CYS A 38 2.566 2.816 4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.863 1.038 3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.456 1.171 2.289 1.00 0.00 H new ATOM 300 N ARG A 39 4.731 2.453 3.204 1.00 0.00 N ATOM 301 CA ARG A 39 5.891 2.436 2.307 1.00 0.00 C ATOM 302 C ARG A 39 5.738 1.231 1.395 1.00 0.00 C ATOM 303 O ARG A 39 5.630 0.088 1.871 1.00 0.00 O ATOM 304 CB ARG A 39 7.199 2.387 3.132 1.00 0.00 C ATOM 305 CG ARG A 39 8.395 1.696 2.421 1.00 0.00 C ATOM 306 CD ARG A 39 9.673 1.720 3.269 1.00 0.00 C ATOM 307 NE ARG A 39 9.399 1.015 4.547 1.00 0.00 N ATOM 308 CZ ARG A 39 9.708 -0.246 4.817 1.00 0.00 C ATOM 309 NH1 ARG A 39 10.296 -1.053 3.984 1.00 0.00 N ATOM 310 NH2 ARG A 39 9.402 -0.695 5.983 1.00 0.00 N ATOM 0 H ARG A 39 4.900 2.041 4.122 1.00 0.00 H new ATOM 0 HA ARG A 39 5.943 3.341 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.488 3.406 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.001 1.866 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.132 0.663 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.584 2.192 1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.491 1.236 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.982 2.748 3.461 1.00 0.00 H new ATOM 0 HE ARG A 39 8.932 1.547 5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.551 -0.727 3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.503 -2.012 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.940 -0.087 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.622 -1.659 6.232 1.00 0.00 H new ATOM 311 N PRO A 40 5.705 1.476 -0.054 1.00 0.00 N ATOM 312 CA PRO A 40 5.508 0.437 -1.174 1.00 0.00 C ATOM 313 C PRO A 40 5.762 -1.004 -0.813 1.00 0.00 C ATOM 314 O PRO A 40 6.933 -1.443 -0.738 1.00 0.00 O ATOM 315 CB PRO A 40 6.487 0.901 -2.258 1.00 0.00 C ATOM 316 CG PRO A 40 6.296 2.424 -2.176 1.00 0.00 C ATOM 317 CD PRO A 40 5.855 2.776 -0.752 1.00 0.00 C ATOM 0 HA PRO A 40 4.458 0.413 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.513 0.600 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.235 0.504 -3.241 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.225 2.937 -2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.548 2.753 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.594 3.405 -0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.916 3.330 -0.757 1.00 0.00 H new ATOM 318 N SER A 41 4.600 -1.881 -0.512 1.00 0.00 N ATOM 319 CA SER A 41 4.765 -3.318 -0.324 1.00 0.00 C ATOM 320 C SER A 41 3.505 -4.102 -0.067 1.00 0.00 C ATOM 321 O SER A 41 3.139 -5.017 -0.831 1.00 0.00 O ATOM 322 CB SER A 41 5.809 -3.580 0.811 1.00 0.00 C ATOM 323 OG SER A 41 5.746 -2.608 1.856 1.00 0.00 O ATOM 0 H SER A 41 3.640 -1.548 -0.420 1.00 0.00 H new ATOM 0 HA SER A 41 5.119 -3.690 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.640 -4.571 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.811 -3.582 0.383 1.00 0.00 H new ATOM 0 HG SER A 41 5.082 -2.886 2.521 1.00 0.00 H new ATOM 324 N CYS A 42 2.679 -3.729 1.105 1.00 0.00 N ATOM 325 CA CYS A 42 1.581 -4.505 1.659 1.00 0.00 C ATOM 326 C CYS A 42 1.309 -5.807 0.943 1.00 0.00 C ATOM 327 O CYS A 42 0.561 -5.914 -0.036 1.00 0.00 O ATOM 328 CB CYS A 42 0.318 -3.652 1.890 1.00 0.00 C ATOM 329 SG CYS A 42 0.603 -1.921 2.310 1.00 0.00 S ATOM 0 H CYS A 42 2.839 -2.863 1.619 1.00 0.00 H new ATOM 0 HA CYS A 42 1.923 -4.820 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.293 -3.691 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.264 -4.109 2.690 1.00 0.00 H new ATOM 330 N ARG A 43 2.052 -6.985 1.463 1.00 0.00 N ATOM 331 CA ARG A 43 1.845 -8.377 1.086 1.00 0.00 C ATOM 332 C ARG A 43 0.526 -8.639 0.410 1.00 0.00 C ATOM 333 O ARG A 43 0.461 -9.390 -0.591 1.00 0.00 O ATOM 334 CB ARG A 43 1.979 -9.242 2.386 1.00 0.00 C ATOM 335 CG ARG A 43 1.949 -8.431 3.707 1.00 0.00 C ATOM 336 CD ARG A 43 2.253 -9.274 4.950 1.00 0.00 C ATOM 337 NE ARG A 43 1.520 -10.561 4.853 1.00 0.00 N ATOM 338 CZ ARG A 43 0.213 -10.718 5.013 1.00 0.00 C ATOM 339 NH1 ARG A 43 -0.616 -9.750 5.273 1.00 0.00 N ATOM 340 NH2 ARG A 43 -0.260 -11.909 4.902 1.00 0.00 N ATOM 0 H ARG A 43 2.794 -6.882 2.155 1.00 0.00 H new ATOM 0 HA ARG A 43 2.598 -8.643 0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.170 -9.973 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.913 -9.801 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.674 -7.620 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.967 -7.973 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.325 -9.456 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.954 -8.738 5.851 1.00 0.00 H new ATOM 0 HE ARG A 43 2.068 -11.396 4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.271 -8.795 5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.611 -9.946 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.365 -12.689 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.260 -12.073 5.018 1.00 0.00 H new ATOM 341 N ALA A 44 -0.693 -8.031 0.981 1.00 0.00 N ATOM 342 CA ALA A 44 -2.025 -8.366 0.506 1.00 0.00 C ATOM 343 C ALA A 44 -2.159 -8.093 -0.984 1.00 0.00 C ATOM 344 O ALA A 44 -1.237 -7.657 -1.681 1.00 0.00 O ATOM 345 CB ALA A 44 -3.052 -7.561 1.328 1.00 0.00 C ATOM 0 H ALA A 44 -0.681 -7.345 1.736 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.211 -9.431 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.059 -7.799 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.957 -7.819 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.867 -6.495 1.197 1.00 0.00 H new ATOM 346 N ARG A 45 -3.512 -8.372 -1.537 1.00 0.00 N ATOM 347 CA ARG A 45 -3.815 -8.260 -2.958 1.00 0.00 C ATOM 348 C ARG A 45 -3.387 -6.924 -3.519 1.00 0.00 C ATOM 349 O ARG A 45 -3.387 -6.710 -4.742 1.00 0.00 O ATOM 350 CB ARG A 45 -5.332 -8.507 -3.177 1.00 0.00 C ATOM 351 CG ARG A 45 -5.751 -8.719 -4.656 1.00 0.00 C ATOM 352 CD ARG A 45 -5.995 -10.194 -4.997 1.00 0.00 C ATOM 353 NE ARG A 45 -4.712 -10.790 -5.448 1.00 0.00 N ATOM 354 CZ ARG A 45 -4.513 -12.073 -5.722 1.00 0.00 C ATOM 355 NH1 ARG A 45 -5.429 -12.992 -5.637 1.00 0.00 N ATOM 356 NH2 ARG A 45 -3.334 -12.424 -6.097 1.00 0.00 N ATOM 0 H ARG A 45 -4.307 -8.657 -0.964 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.247 -9.017 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.630 -9.383 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.885 -7.658 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.658 -8.149 -4.858 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.974 -8.323 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.375 -10.727 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.750 -10.283 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.917 -10.160 -5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.374 -12.745 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.203 -13.960 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.594 -11.726 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.139 -13.401 -6.317 1.00 0.00 H new ATOM 357 N HIS A 46 -3.018 -5.876 -2.545 1.00 0.00 N ATOM 358 CA HIS A 46 -2.408 -4.606 -2.923 1.00 0.00 C ATOM 359 C HIS A 46 -3.456 -3.583 -3.292 1.00 0.00 C ATOM 360 O HIS A 46 -4.566 -3.911 -3.735 1.00 0.00 O ATOM 361 CB HIS A 46 -1.472 -4.873 -4.111 1.00 0.00 C ATOM 362 CG HIS A 46 -0.040 -4.537 -3.814 1.00 0.00 C ATOM 363 ND1 HIS A 46 1.072 -5.240 -4.273 1.00 0.00 N ATOM 364 CD2 HIS A 46 0.331 -3.456 -3.028 1.00 0.00 C ATOM 365 CE1 HIS A 46 2.053 -4.507 -3.715 1.00 0.00 C ATOM 366 NE2 HIS A 46 1.700 -3.432 -2.959 1.00 0.00 N ATOM 0 H HIS A 46 -3.167 -5.974 -1.541 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.850 -4.198 -2.080 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.542 -5.923 -4.393 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.806 -4.289 -4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.341 -2.756 -2.554 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.091 -4.765 -3.863 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.303 -2.774 -2.465 1.00 0.00 H new ATOM 367 N ALA A 47 -3.092 -2.168 -3.057 1.00 0.00 N ATOM 368 CA ALA A 47 -4.056 -1.083 -3.215 1.00 0.00 C ATOM 369 C ALA A 47 -4.109 -0.615 -4.651 1.00 0.00 C ATOM 370 O ALA A 47 -3.095 -0.584 -5.363 1.00 0.00 O ATOM 371 CB ALA A 47 -3.659 0.038 -2.239 1.00 0.00 C ATOM 0 H ALA A 47 -2.161 -1.862 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.065 -1.420 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.361 0.867 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.681 -0.344 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.653 0.386 -2.475 1.00 0.00 H new ATOM 372 N LEU A 48 -5.440 -0.236 -5.171 1.00 0.00 N ATOM 373 CA LEU A 48 -5.600 0.391 -6.481 1.00 0.00 C ATOM 374 C LEU A 48 -4.976 1.768 -6.490 1.00 0.00 C ATOM 375 O LEU A 48 -5.062 2.525 -5.512 1.00 0.00 O ATOM 376 CB LEU A 48 -7.102 0.450 -6.878 1.00 0.00 C ATOM 377 CG LEU A 48 -8.091 -0.489 -6.136 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.595 0.184 -4.852 1.00 0.00 C ATOM 379 CD2 LEU A 48 -9.288 -0.903 -7.008 1.00 0.00 C ATOM 0 H LEU A 48 -6.313 -0.383 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.081 -0.216 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.445 1.475 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.174 0.235 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.540 -1.397 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.288 -0.483 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.750 0.401 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.106 1.113 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.945 -1.559 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.840 -0.014 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.929 -1.430 -7.892 1.00 0.00 H new ATOM 380 N ARG A 49 -4.294 2.175 -7.737 1.00 0.00 N ATOM 381 CA ARG A 49 -3.729 3.508 -7.920 1.00 0.00 C ATOM 382 C ARG A 49 -4.796 4.528 -8.241 1.00 0.00 C ATOM 383 O ARG A 49 -4.500 5.704 -8.512 1.00 0.00 O ATOM 384 CB ARG A 49 -2.664 3.444 -9.055 1.00 0.00 C ATOM 385 CG ARG A 49 -3.128 2.706 -10.338 1.00 0.00 C ATOM 386 CD ARG A 49 -2.554 3.322 -11.619 1.00 0.00 C ATOM 387 NE ARG A 49 -3.675 3.893 -12.408 1.00 0.00 N ATOM 388 CZ ARG A 49 -3.548 4.697 -13.456 1.00 0.00 C ATOM 389 NH1 ARG A 49 -2.410 5.093 -13.943 1.00 0.00 N ATOM 390 NH2 ARG A 49 -4.627 5.107 -14.022 1.00 0.00 N ATOM 0 H ARG A 49 -4.175 1.559 -8.541 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.261 3.827 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.375 4.461 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.772 2.950 -8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.829 1.660 -10.278 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.217 2.724 -10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.829 4.098 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.028 2.565 -12.201 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.622 3.647 -12.120 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.537 4.784 -13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.390 5.713 -14.753 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.535 4.813 -13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.575 5.726 -14.831 1.00 0.00 H new ATOM 391 N GLU A 50 -6.201 4.068 -8.234 1.00 0.00 N ATOM 392 CA GLU A 50 -7.297 4.904 -8.708 1.00 0.00 C ATOM 393 C GLU A 50 -7.851 5.801 -7.627 1.00 0.00 C ATOM 394 O GLU A 50 -8.552 6.794 -7.924 1.00 0.00 O ATOM 395 CB GLU A 50 -8.406 3.975 -9.285 1.00 0.00 C ATOM 396 CG GLU A 50 -7.937 2.661 -9.992 1.00 0.00 C ATOM 397 CD GLU A 50 -8.146 2.530 -11.502 1.00 0.00 C ATOM 398 OE1 GLU A 50 -7.335 3.338 -12.240 1.00 0.00 O ATOM 399 OE2 GLU A 50 -8.966 1.769 -11.998 1.00 0.00 O ATOM 0 H GLU A 50 -6.492 3.149 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.919 5.570 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.075 3.700 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.993 4.552 -9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.872 2.539 -9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.448 1.826 -9.513 1.00 0.00 H new ATOM 400 N ASN A 51 -7.514 5.495 -6.231 1.00 0.00 N ATOM 401 CA ASN A 51 -8.054 6.263 -5.080 1.00 0.00 C ATOM 402 C ASN A 51 -6.882 6.593 -4.175 1.00 0.00 C ATOM 403 O ASN A 51 -7.033 6.928 -2.991 1.00 0.00 O ATOM 404 CB ASN A 51 -8.957 5.256 -4.317 1.00 0.00 C ATOM 405 CG ASN A 51 -8.205 4.189 -3.488 1.00 0.00 C ATOM 406 OD1 ASN A 51 -7.475 3.356 -3.999 1.00 0.00 O ATOM 407 ND2 ASN A 51 -8.383 4.186 -2.196 1.00 0.00 N ATOM 0 H ASN A 51 -6.888 4.736 -5.961 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.583 7.168 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.613 5.815 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.596 4.747 -5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.913 3.489 -1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.992 4.880 -1.764 1.00 0.00 H new ATOM 408 N VAL A 52 -5.540 6.426 -4.776 1.00 0.00 N ATOM 409 CA VAL A 52 -4.322 6.346 -3.969 1.00 0.00 C ATOM 410 C VAL A 52 -3.619 7.675 -3.946 1.00 0.00 C ATOM 411 O VAL A 52 -3.635 8.399 -4.981 1.00 0.00 O ATOM 412 CB VAL A 52 -3.399 5.188 -4.540 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.193 5.615 -5.416 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.811 4.273 -3.434 1.00 0.00 C ATOM 0 H VAL A 52 -5.378 6.356 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.572 6.105 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.118 4.669 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.647 4.729 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.552 6.160 -6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.531 6.257 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.190 3.503 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.205 4.870 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.624 3.803 -2.881 1.00 0.00 H new ATOM 415 N SER A 53 -2.948 8.150 -2.719 1.00 0.00 N ATOM 416 CA SER A 53 -2.302 9.465 -2.644 1.00 0.00 C ATOM 417 C SER A 53 -0.877 9.354 -2.163 1.00 0.00 C ATOM 418 O SER A 53 -0.561 8.599 -1.230 1.00 0.00 O ATOM 419 CB SER A 53 -3.136 10.447 -1.787 1.00 0.00 C ATOM 420 OG SER A 53 -2.753 11.815 -1.978 1.00 0.00 O ATOM 0 H SER A 53 -2.890 7.606 -1.858 1.00 0.00 H new ATOM 0 HA SER A 53 -2.260 9.877 -3.652 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.191 10.332 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.026 10.187 -0.734 1.00 0.00 H new ATOM 0 HG SER A 53 -3.311 12.392 -1.416 1.00 0.00 H new ATOM 421 N PHE A 54 0.140 10.221 -2.817 1.00 0.00 N ATOM 422 CA PHE A 54 1.565 10.056 -2.565 1.00 0.00 C ATOM 423 C PHE A 54 2.170 11.187 -1.760 1.00 0.00 C ATOM 424 O PHE A 54 1.678 12.320 -1.707 1.00 0.00 O ATOM 425 CB PHE A 54 2.359 9.923 -3.900 1.00 0.00 C ATOM 426 CG PHE A 54 2.477 8.501 -4.475 1.00 0.00 C ATOM 427 CD1 PHE A 54 2.664 7.420 -3.607 1.00 0.00 C ATOM 428 CD2 PHE A 54 2.404 8.276 -5.851 1.00 0.00 C ATOM 429 CE1 PHE A 54 2.774 6.128 -4.109 1.00 0.00 C ATOM 430 CE2 PHE A 54 2.515 6.982 -6.353 1.00 0.00 C ATOM 431 CZ PHE A 54 2.699 5.909 -5.483 1.00 0.00 C ATOM 0 H PHE A 54 -0.087 10.971 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 54 1.647 9.142 -1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.883 10.558 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.364 10.315 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.723 7.590 -2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.261 9.106 -6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.917 5.296 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.458 6.810 -7.418 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.784 4.906 -5.874 1.00 0.00 H new ATOM 432 N TYR A 55 3.399 10.837 -1.009 1.00 0.00 N ATOM 433 CA TYR A 55 4.137 11.775 -0.169 1.00 0.00 C ATOM 434 C TYR A 55 5.612 11.422 -0.172 1.00 0.00 C ATOM 435 O TYR A 55 5.986 10.274 -0.506 1.00 0.00 O ATOM 436 CB TYR A 55 3.634 11.675 1.302 1.00 0.00 C ATOM 437 CG TYR A 55 2.145 11.326 1.481 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.662 10.018 1.484 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.234 12.392 1.648 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.304 9.767 1.656 1.00 0.00 C ATOM 441 CE2 TYR A 55 -0.122 12.137 1.817 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.585 10.824 1.823 1.00 0.00 C ATOM 443 OH TYR A 55 -1.918 10.573 1.996 1.00 0.00 O ATOM 0 H TYR A 55 3.813 9.905 -1.032 1.00 0.00 H new ATOM 0 HA TYR A 55 3.983 12.780 -0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.229 10.921 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.826 12.627 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.347 9.193 1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.593 13.411 1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.060 8.750 1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.815 12.956 1.943 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.400 11.420 2.099 1.00 0.00 H new ATOM 444 N ALA A 56 6.610 12.453 0.186 1.00 0.00 N ATOM 445 CA ALA A 56 8.043 12.175 0.265 1.00 0.00 C ATOM 446 C ALA A 56 8.407 11.413 1.516 1.00 0.00 C ATOM 447 O ALA A 56 9.495 10.813 1.609 1.00 0.00 O ATOM 448 CB ALA A 56 8.786 13.522 0.157 1.00 0.00 C ATOM 0 H ALA A 56 6.365 13.420 0.400 1.00 0.00 H new ATOM 0 HA ALA A 56 8.343 11.524 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.861 13.350 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.543 13.996 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.480 14.173 0.976 1.00 0.00 H new ATOM 449 N ASN A 57 7.451 11.441 2.645 1.00 0.00 N ATOM 450 CA ASN A 57 7.628 10.596 3.821 1.00 0.00 C ATOM 451 C ASN A 57 6.331 10.424 4.579 1.00 0.00 C ATOM 452 O ASN A 57 5.306 11.052 4.283 1.00 0.00 O ATOM 453 CB ASN A 57 8.731 11.182 4.749 1.00 0.00 C ATOM 454 CG ASN A 57 8.288 11.714 6.116 1.00 0.00 C ATOM 455 OD1 ASN A 57 7.253 12.508 6.174 1.00 0.00 O flip ATOM 456 ND2 ASN A 57 8.861 11.421 7.156 1.00 0.00 N flip ATOM 0 H ASN A 57 6.625 12.038 2.676 1.00 0.00 H new ATOM 0 HA ASN A 57 7.944 9.610 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.479 10.407 4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.225 11.994 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.672 10.802 7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.528 11.795 8.045 1.00 0.00 H new ATOM 457 N ALA A 58 6.376 9.485 5.723 1.00 0.00 N ATOM 458 CA ALA A 58 5.199 9.165 6.524 1.00 0.00 C ATOM 459 C ALA A 58 4.676 10.382 7.251 1.00 0.00 C ATOM 460 O ALA A 58 3.467 10.656 7.265 1.00 0.00 O ATOM 461 CB ALA A 58 5.575 8.021 7.485 1.00 0.00 C ATOM 0 H ALA A 58 7.224 9.005 6.023 1.00 0.00 H new ATOM 0 HA ALA A 58 4.383 8.838 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.711 7.761 8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.887 7.150 6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.393 8.342 8.130 1.00 0.00 H new ATOM 462 N SER A 59 5.670 11.200 7.978 1.00 0.00 N ATOM 463 CA SER A 59 5.269 12.295 8.857 1.00 0.00 C ATOM 464 C SER A 59 4.338 13.254 8.153 1.00 0.00 C ATOM 465 O SER A 59 3.660 14.080 8.787 1.00 0.00 O ATOM 466 CB SER A 59 6.503 13.024 9.445 1.00 0.00 C ATOM 467 OG SER A 59 6.241 13.622 10.720 1.00 0.00 O ATOM 0 H SER A 59 6.678 11.058 7.916 1.00 0.00 H new ATOM 0 HA SER A 59 4.717 11.864 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.325 12.315 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.830 13.795 8.748 1.00 0.00 H new ATOM 0 HG SER A 59 7.051 14.066 11.046 1.00 0.00 H new ATOM 468 N GLU A 60 4.259 13.154 6.680 1.00 0.00 N ATOM 469 CA GLU A 60 3.286 13.919 5.905 1.00 0.00 C ATOM 470 C GLU A 60 1.925 13.265 5.926 1.00 0.00 C ATOM 471 O GLU A 60 0.936 13.842 6.399 1.00 0.00 O ATOM 472 CB GLU A 60 3.807 14.074 4.448 1.00 0.00 C ATOM 473 CG GLU A 60 2.728 14.196 3.321 1.00 0.00 C ATOM 474 CD GLU A 60 2.557 15.541 2.613 1.00 0.00 C ATOM 475 OE1 GLU A 60 2.538 16.609 3.459 1.00 0.00 O ATOM 476 OE2 GLU A 60 2.447 15.646 1.398 1.00 0.00 O ATOM 0 H GLU A 60 4.866 12.557 6.118 1.00 0.00 H new ATOM 0 HA GLU A 60 3.171 14.905 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.442 14.959 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.440 13.216 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.957 13.449 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.765 13.925 3.754 1.00 0.00 H new ATOM 477 N ALA A 61 1.823 11.920 5.317 1.00 0.00 N ATOM 478 CA ALA A 61 0.608 11.118 5.419 1.00 0.00 C ATOM 479 C ALA A 61 0.099 11.033 6.838 1.00 0.00 C ATOM 480 O ALA A 61 -1.048 10.609 7.083 1.00 0.00 O ATOM 481 CB ALA A 61 0.900 9.741 4.801 1.00 0.00 C ATOM 0 H ALA A 61 2.578 11.473 4.797 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.202 11.594 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.008 9.118 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.185 9.864 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.715 9.263 5.345 1.00 0.00 H new ATOM 482 N LEU A 62 1.003 11.461 7.926 1.00 0.00 N ATOM 483 CA LEU A 62 0.543 11.583 9.310 1.00 0.00 C ATOM 484 C LEU A 62 -0.108 12.928 9.534 1.00 0.00 C ATOM 485 O LEU A 62 -1.198 13.039 10.112 1.00 0.00 O ATOM 486 CB LEU A 62 1.724 11.361 10.296 1.00 0.00 C ATOM 487 CG LEU A 62 1.414 10.796 11.708 1.00 0.00 C ATOM 488 CD1 LEU A 62 2.153 11.614 12.777 1.00 0.00 C ATOM 489 CD2 LEU A 62 -0.090 10.770 12.023 1.00 0.00 C ATOM 0 H LEU A 62 1.986 11.695 7.788 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.204 10.812 9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.433 10.686 9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.232 12.317 10.426 1.00 0.00 H new ATOM 0 HG LEU A 62 1.763 9.764 11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.929 11.210 13.764 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.227 11.560 12.598 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.829 12.653 12.729 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.245 10.365 13.023 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.489 11.783 11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.604 10.143 11.294 1.00 0.00 H new ATOM 490 N ALA A 63 0.652 14.106 9.064 1.00 0.00 N ATOM 491 CA ALA A 63 0.081 15.451 9.047 1.00 0.00 C ATOM 492 C ALA A 63 -1.263 15.468 8.359 1.00 0.00 C ATOM 493 O ALA A 63 -2.130 16.309 8.648 1.00 0.00 O ATOM 494 CB ALA A 63 1.102 16.392 8.383 1.00 0.00 C ATOM 0 H ALA A 63 1.613 14.058 8.725 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.109 15.797 10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.700 17.405 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.030 16.384 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.300 16.054 7.366 1.00 0.00 H new ATOM 495 N ALA A 64 -1.509 14.418 7.346 1.00 0.00 N ATOM 496 CA ALA A 64 -2.824 14.226 6.739 1.00 0.00 C ATOM 497 C ALA A 64 -3.781 13.662 7.774 1.00 0.00 C ATOM 498 O ALA A 64 -4.965 14.011 7.853 1.00 0.00 O ATOM 499 CB ALA A 64 -2.651 13.305 5.523 1.00 0.00 C ATOM 0 H ALA A 64 -0.794 13.773 7.011 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.253 15.168 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.619 13.143 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.970 13.769 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.241 12.348 5.847 1.00 0.00 H new ATOM 500 N GLY A 65 -3.193 12.630 8.663 1.00 0.00 N ATOM 501 CA GLY A 65 -3.913 12.097 9.816 1.00 0.00 C ATOM 502 C GLY A 65 -4.371 10.679 9.521 1.00 0.00 C ATOM 503 O GLY A 65 -5.362 10.172 10.061 1.00 0.00 O ATOM 0 H GLY A 65 -2.264 12.232 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.269 12.106 10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.773 12.727 10.044 1.00 0.00 H new ATOM 504 N PHE A 66 -3.564 9.961 8.509 1.00 0.00 N ATOM 505 CA PHE A 66 -3.951 8.663 7.970 1.00 0.00 C ATOM 506 C PHE A 66 -3.401 7.523 8.790 1.00 0.00 C ATOM 507 O PHE A 66 -2.789 7.738 9.859 1.00 0.00 O ATOM 508 CB PHE A 66 -3.430 8.533 6.502 1.00 0.00 C ATOM 509 CG PHE A 66 -4.263 7.610 5.599 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.618 7.408 5.916 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.704 6.949 4.505 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.398 6.560 5.139 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.489 6.099 3.730 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.832 5.904 4.048 1.00 0.00 C ATOM 0 H PHE A 66 -2.691 10.324 8.126 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.039 8.605 7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.400 9.526 6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.405 8.164 6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.054 7.913 6.765 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.663 7.096 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.440 6.410 5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.057 5.590 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.436 5.242 3.446 1.00 0.00 H new ATOM 515 N ARG A 67 -3.578 6.148 8.276 1.00 0.00 N ATOM 516 CA ARG A 67 -3.225 4.980 9.088 1.00 0.00 C ATOM 517 C ARG A 67 -1.842 4.472 8.765 1.00 0.00 C ATOM 518 O ARG A 67 -1.566 3.964 7.671 1.00 0.00 O ATOM 519 CB ARG A 67 -4.325 3.900 8.915 1.00 0.00 C ATOM 520 CG ARG A 67 -3.823 2.437 8.806 1.00 0.00 C ATOM 521 CD ARG A 67 -3.112 1.957 10.078 1.00 0.00 C ATOM 522 NE ARG A 67 -3.638 0.612 10.426 1.00 0.00 N ATOM 523 CZ ARG A 67 -4.233 0.289 11.567 1.00 0.00 C ATOM 524 NH1 ARG A 67 -4.434 1.116 12.550 1.00 0.00 N ATOM 525 NH2 ARG A 67 -4.636 -0.925 11.703 1.00 0.00 N ATOM 0 H ARG A 67 -3.946 5.926 7.351 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.185 5.262 10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.010 3.967 9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.900 4.135 8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.669 1.782 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.141 2.354 7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.035 1.914 9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.285 2.656 10.896 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.533 -0.125 9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.126 2.085 12.472 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.899 0.795 13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.493 -1.597 10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.098 -1.215 12.565 1.00 0.00 H new ATOM 526 N PRO A 68 -0.818 4.645 9.823 1.00 0.00 N ATOM 527 CA PRO A 68 0.654 4.245 9.755 1.00 0.00 C ATOM 528 C PRO A 68 0.916 2.798 9.393 1.00 0.00 C ATOM 529 O PRO A 68 0.688 1.890 10.219 1.00 0.00 O ATOM 530 CB PRO A 68 1.237 4.482 11.151 1.00 0.00 C ATOM 531 CG PRO A 68 0.358 5.635 11.657 1.00 0.00 C ATOM 532 CD PRO A 68 -1.042 5.256 11.160 1.00 0.00 C ATOM 0 HA PRO A 68 1.107 4.840 8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.159 3.598 11.784 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.292 4.755 11.114 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.390 5.718 12.743 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.682 6.595 11.254 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.526 4.555 11.839 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.688 6.131 11.092 1.00 0.00 H new ATOM 533 N CYS A 69 1.444 2.489 8.048 1.00 0.00 N ATOM 534 CA CYS A 69 1.905 1.156 7.657 1.00 0.00 C ATOM 535 C CYS A 69 3.390 1.193 7.355 1.00 0.00 C ATOM 536 O CYS A 69 3.879 1.553 6.276 1.00 0.00 O ATOM 537 CB CYS A 69 1.003 0.655 6.518 1.00 0.00 C ATOM 538 SG CYS A 69 1.066 -1.129 6.267 1.00 0.00 S ATOM 0 H CYS A 69 1.521 3.184 7.305 1.00 0.00 H new ATOM 0 HA CYS A 69 1.812 0.427 8.462 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.026 0.946 6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.293 1.153 5.593 1.00 0.00 H new ATOM 539 N LYS A 70 4.262 0.796 8.506 1.00 0.00 N ATOM 540 CA LYS A 70 5.714 0.917 8.493 1.00 0.00 C ATOM 541 C LYS A 70 6.328 -0.195 7.673 1.00 0.00 C ATOM 542 O LYS A 70 6.526 -0.060 6.453 1.00 0.00 O ATOM 543 CB LYS A 70 6.251 0.885 9.950 1.00 0.00 C ATOM 544 CG LYS A 70 5.867 2.136 10.779 1.00 0.00 C ATOM 545 CD LYS A 70 6.572 3.429 10.358 1.00 0.00 C ATOM 546 CE LYS A 70 6.127 4.570 11.282 1.00 0.00 C ATOM 547 NZ LYS A 70 5.996 5.811 10.497 1.00 0.00 N ATOM 0 H LYS A 70 3.893 0.414 9.377 1.00 0.00 H new ATOM 0 HA LYS A 70 5.991 1.867 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.868 -0.004 10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.337 0.794 9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.790 2.286 10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.091 1.942 11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.653 3.302 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.331 3.668 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.176 4.322 11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.853 4.708 12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.694 6.586 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.913 6.049 10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.288 5.675 9.747 1.00 0.00 H new ATOM 548 N ARG A 71 6.712 -1.426 8.397 1.00 0.00 N ATOM 549 CA ARG A 71 7.122 -2.630 7.659 1.00 0.00 C ATOM 550 C ARG A 71 5.972 -3.032 6.751 1.00 0.00 C ATOM 551 O ARG A 71 6.064 -2.941 5.523 1.00 0.00 O ATOM 552 CB ARG A 71 7.497 -3.755 8.651 1.00 0.00 C ATOM 553 CG ARG A 71 8.044 -3.276 10.023 1.00 0.00 C ATOM 554 CD ARG A 71 9.523 -2.875 9.958 1.00 0.00 C ATOM 555 NE ARG A 71 10.083 -2.930 11.332 1.00 0.00 N ATOM 556 CZ ARG A 71 10.648 -3.992 11.892 1.00 0.00 C ATOM 557 NH1 ARG A 71 10.794 -5.141 11.302 1.00 0.00 N ATOM 558 NH2 ARG A 71 11.077 -3.869 13.098 1.00 0.00 N ATOM 0 H ARG A 71 6.719 -1.521 9.413 1.00 0.00 H new ATOM 0 HA ARG A 71 8.006 -2.437 7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.615 -4.372 8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.246 -4.394 8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.455 -2.426 10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.918 -4.071 10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.070 -3.548 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.626 -1.871 9.546 1.00 0.00 H new ATOM 0 HE ARG A 71 10.029 -2.080 11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.464 -5.269 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.239 -5.915 11.796 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.976 -2.979 13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.518 -4.661 13.566 1.00 0.00 H new ATOM 559 N CYS A 72 4.777 -3.570 7.434 1.00 0.00 N ATOM 560 CA CYS A 72 3.499 -3.805 6.782 1.00 0.00 C ATOM 561 C CYS A 72 2.500 -4.394 7.777 1.00 0.00 C ATOM 562 O CYS A 72 2.158 -5.581 7.788 1.00 0.00 O ATOM 563 CB CYS A 72 3.683 -4.606 5.482 1.00 0.00 C ATOM 564 SG CYS A 72 3.594 -3.479 4.048 1.00 0.00 S ATOM 0 H CYS A 72 4.773 -3.815 8.424 1.00 0.00 H new ATOM 0 HA CYS A 72 3.061 -2.860 6.459 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.644 -5.121 5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.912 -5.372 5.403 1.00 0.00 H new ATOM 565 N GLN A 73 1.995 -3.428 8.774 1.00 0.00 N ATOM 566 CA GLN A 73 1.181 -3.784 9.947 1.00 0.00 C ATOM 567 C GLN A 73 0.127 -4.820 9.704 1.00 0.00 C ATOM 568 O GLN A 73 -0.161 -5.673 10.574 1.00 0.00 O ATOM 569 CB GLN A 73 0.522 -2.464 10.482 1.00 0.00 C ATOM 570 CG GLN A 73 0.538 -2.296 12.035 1.00 0.00 C ATOM 571 CD GLN A 73 1.854 -2.508 12.797 1.00 0.00 C ATOM 572 OE1 GLN A 73 2.604 -1.574 13.031 1.00 0.00 O ATOM 573 NE2 GLN A 73 2.198 -3.709 13.185 1.00 0.00 N ATOM 0 H GLN A 73 2.184 -2.428 8.710 1.00 0.00 H new ATOM 0 HA GLN A 73 1.851 -4.244 10.674 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.036 -1.613 10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.512 -2.428 10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.187 -1.289 12.260 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.196 -2.989 12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.583 -4.501 12.998 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.081 -3.853 13.675 1.00 0.00 H new ATOM 574 N PRO A 74 -0.561 -4.802 8.399 1.00 0.00 N ATOM 575 CA PRO A 74 -1.680 -5.747 7.942 1.00 0.00 C ATOM 576 C PRO A 74 -1.556 -7.167 8.445 1.00 0.00 C ATOM 577 O PRO A 74 -2.528 -7.785 8.898 1.00 0.00 O ATOM 578 CB PRO A 74 -1.612 -5.737 6.419 1.00 0.00 C ATOM 579 CG PRO A 74 -1.289 -4.255 6.165 1.00 0.00 C ATOM 580 CD PRO A 74 -0.307 -3.869 7.276 1.00 0.00 C ATOM 0 HA PRO A 74 -2.628 -5.396 8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.839 -6.402 6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.552 -6.041 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.847 -4.110 5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.190 -3.642 6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.723 -3.949 6.929 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.459 -2.836 7.587 1.00 0.00 H new ATOM 581 N ASP A 75 -0.201 -7.760 8.399 1.00 0.00 N ATOM 582 CA ASP A 75 0.114 -9.051 9.003 1.00 0.00 C ATOM 583 C ASP A 75 1.488 -9.524 8.581 1.00 0.00 C ATOM 584 O ASP A 75 1.642 -10.411 7.731 1.00 0.00 O ATOM 585 CB ASP A 75 -0.981 -10.098 8.677 1.00 0.00 C ATOM 586 CG ASP A 75 -1.199 -11.212 9.713 1.00 0.00 C ATOM 587 OD1 ASP A 75 -0.048 -11.881 10.022 1.00 0.00 O ATOM 588 OD2 ASP A 75 -2.289 -11.455 10.211 1.00 0.00 O ATOM 0 H ASP A 75 0.594 -7.310 7.946 1.00 0.00 H new ATOM 0 HA ASP A 75 0.131 -8.927 10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.925 -9.571 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.734 -10.564 7.723 1.00 0.00 H new ATOM 589 N LYS A 76 2.633 -8.838 9.217 1.00 0.00 N ATOM 590 CA LYS A 76 4.013 -9.053 8.792 1.00 0.00 C ATOM 591 C LYS A 76 4.577 -10.330 9.366 1.00 0.00 C ATOM 592 O LYS A 76 5.662 -10.793 8.964 1.00 0.00 O ATOM 593 CB LYS A 76 4.866 -7.814 9.180 1.00 0.00 C ATOM 594 CG LYS A 76 6.284 -8.129 9.711 1.00 0.00 C ATOM 595 CD LYS A 76 7.349 -8.347 8.633 1.00 0.00 C ATOM 596 CE LYS A 76 8.733 -8.402 9.295 1.00 0.00 C ATOM 597 NZ LYS A 76 9.754 -8.690 8.272 1.00 0.00 N ATOM 0 H LYS A 76 2.535 -8.176 9.987 1.00 0.00 H new ATOM 0 HA LYS A 76 4.040 -9.169 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.958 -7.169 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.329 -7.247 9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.604 -7.310 10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.232 -9.022 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.153 -9.274 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.314 -7.539 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.951 -7.454 9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.749 -9.171 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.692 -8.728 8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.547 -9.605 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.744 -7.941 7.551 1.00 0.00 H new ATOM 598 N ALA A 77 3.777 -11.025 10.390 1.00 0.00 N ATOM 599 CA ALA A 77 4.131 -12.355 10.902 1.00 0.00 C ATOM 600 C ALA A 77 3.139 -12.866 11.924 1.00 0.00 C ATOM 601 O ALA A 77 1.999 -13.228 11.592 1.00 0.00 O ATOM 602 CB ALA A 77 5.578 -12.296 11.413 1.00 0.00 C ATOM 0 H ALA A 77 2.933 -10.632 10.807 1.00 0.00 H new ATOM 0 HA ALA A 77 4.076 -13.092 10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.867 -13.273 11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.242 -12.019 10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.653 -11.554 12.208 1.00 0.00 H new ATOM 603 N ASN A 78 3.603 -12.949 13.325 1.00 0.00 N ATOM 604 CA ASN A 78 2.803 -13.584 14.369 1.00 0.00 C ATOM 605 C ASN A 78 2.389 -12.587 15.424 1.00 0.00 C ATOM 606 O ASN A 78 2.961 -12.518 16.520 1.00 0.00 O ATOM 607 CB ASN A 78 3.615 -14.752 15.003 1.00 0.00 C ATOM 608 CG ASN A 78 5.127 -14.551 15.141 1.00 0.00 C ATOM 609 OD1 ASN A 78 5.893 -14.680 14.197 1.00 0.00 O ATOM 610 ND2 ASN A 78 5.615 -14.230 16.309 1.00 0.00 N ATOM 0 H ASN A 78 4.495 -12.576 13.650 1.00 0.00 H new ATOM 0 HA ASN A 78 1.892 -13.980 13.921 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.207 -14.949 15.994 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.445 -15.647 14.405 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.619 -14.091 16.422 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.992 -14.118 17.109 1.00 0.00 H new ATOM 611 N PRO A 79 1.244 -11.718 15.081 1.00 0.00 N ATOM 612 CA PRO A 79 0.623 -10.642 15.977 1.00 0.00 C ATOM 613 C PRO A 79 0.442 -11.050 17.424 1.00 0.00 C ATOM 614 O PRO A 79 -0.619 -11.543 17.832 1.00 0.00 O ATOM 615 CB PRO A 79 -0.751 -10.352 15.381 1.00 0.00 C ATOM 616 CG PRO A 79 -0.446 -10.500 13.882 1.00 0.00 C ATOM 617 CD PRO A 79 0.479 -11.720 13.811 1.00 0.00 C ATOM 0 HA PRO A 79 1.297 -9.785 15.999 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -1.508 -11.059 15.721 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.110 -9.354 15.634 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.356 -10.655 13.303 1.00 0.00 H new ATOM 0 HG3 PRO A 79 0.038 -9.608 13.483 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.095 -12.640 13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.147 -11.656 12.952 1.00 0.00 H new ATOM 618 N ARG A 80 1.610 -10.857 18.309 1.00 0.00 N ATOM 619 CA ARG A 80 1.625 -11.335 19.688 1.00 0.00 C ATOM 620 C ARG A 80 0.377 -10.905 20.424 1.00 0.00 C ATOM 621 O ARG A 80 0.061 -9.712 20.528 1.00 0.00 O ATOM 622 CB ARG A 80 2.906 -10.808 20.391 1.00 0.00 C ATOM 623 CG ARG A 80 3.093 -9.268 20.341 1.00 0.00 C ATOM 624 CD ARG A 80 4.514 -8.861 19.932 1.00 0.00 C ATOM 625 NE ARG A 80 5.477 -9.615 20.773 1.00 0.00 N ATOM 626 CZ ARG A 80 6.797 -9.484 20.739 1.00 0.00 C ATOM 627 NH1 ARG A 80 7.432 -8.660 19.959 1.00 0.00 N ATOM 628 NH2 ARG A 80 7.487 -10.222 21.534 1.00 0.00 N ATOM 0 H ARG A 80 2.467 -10.386 18.020 1.00 0.00 H new ATOM 0 HA ARG A 80 1.638 -12.425 19.694 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.886 -11.123 21.434 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.775 -11.280 19.932 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.379 -8.841 19.636 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.865 -8.846 21.320 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.682 -9.077 18.877 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.654 -7.788 20.064 1.00 0.00 H new ATOM 0 HE ARG A 80 5.092 -10.291 21.433 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.912 -8.060 19.319 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.451 -8.613 19.987 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.017 -10.877 22.159 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.505 -10.153 21.540 1.00 0.00 H new ATOM 629 N GLN A 81 -0.464 -11.988 20.978 1.00 0.00 N ATOM 630 CA GLN A 81 -1.748 -11.720 21.617 1.00 0.00 C ATOM 631 C GLN A 81 -1.643 -10.561 22.580 1.00 0.00 C ATOM 632 O GLN A 81 -0.732 -10.489 23.417 1.00 0.00 O ATOM 633 CB GLN A 81 -2.218 -13.000 22.343 1.00 0.00 C ATOM 634 CG GLN A 81 -3.727 -13.047 22.754 1.00 0.00 C ATOM 635 CD GLN A 81 -4.125 -13.738 24.065 1.00 0.00 C ATOM 636 OE1 GLN A 81 -5.198 -13.507 24.600 1.00 0.00 O ATOM 637 NE2 GLN A 81 -3.310 -14.595 24.625 1.00 0.00 N ATOM 0 H GLN A 81 -0.208 -12.975 20.951 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.479 -11.442 20.858 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.012 -13.855 21.699 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.614 -13.125 23.242 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.086 -12.019 22.803 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.272 -13.536 21.947 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.410 -14.800 24.192 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.575 -15.058 25.494 1.00 0.00 H new ATOM 638 N HIS A 82 -2.690 -9.523 22.473 1.00 0.00 N ATOM 639 CA HIS A 82 -2.697 -8.338 23.326 1.00 0.00 C ATOM 640 C HIS A 82 -3.022 -8.703 24.756 1.00 0.00 C ATOM 641 O HIS A 82 -4.157 -9.065 25.094 1.00 0.00 O ATOM 642 CB HIS A 82 -3.772 -7.399 22.756 1.00 0.00 C ATOM 643 CG HIS A 82 -3.417 -5.952 22.931 1.00 0.00 C ATOM 644 ND1 HIS A 82 -4.290 -4.939 23.322 1.00 0.00 N ATOM 645 CD2 HIS A 82 -2.137 -5.462 22.711 1.00 0.00 C ATOM 646 CE1 HIS A 82 -3.446 -3.890 23.308 1.00 0.00 C ATOM 647 NE2 HIS A 82 -2.151 -4.113 22.955 1.00 0.00 N ATOM 0 H HIS A 82 -3.463 -9.565 21.809 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.717 -7.862 23.335 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.911 -7.611 21.696 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.724 -7.599 23.248 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.280 -6.042 22.402 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.787 -2.899 23.570 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.383 -3.444 22.889 1.00 0.00 H new ATOM 648 N ARG A 83 -1.911 -8.601 25.727 1.00 0.00 N ATOM 649 CA ARG A 83 -2.106 -8.844 27.154 1.00 0.00 C ATOM 650 C ARG A 83 -0.975 -8.253 27.962 1.00 0.00 C ATOM 651 O ARG A 83 -0.594 -8.767 29.023 1.00 0.00 O ATOM 652 CB ARG A 83 -2.234 -10.373 27.392 1.00 0.00 C ATOM 653 CG ARG A 83 -2.998 -10.772 28.683 1.00 0.00 C ATOM 654 CD ARG A 83 -2.557 -12.136 29.230 1.00 0.00 C ATOM 655 NE ARG A 83 -2.727 -12.125 30.705 1.00 0.00 N ATOM 656 CZ ARG A 83 -2.311 -13.072 31.535 1.00 0.00 C ATOM 657 NH1 ARG A 83 -1.690 -14.152 31.164 1.00 0.00 N ATOM 658 NH2 ARG A 83 -2.539 -12.903 32.790 1.00 0.00 N ATOM 0 H ARG A 83 -0.954 -8.359 25.470 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.022 -8.355 27.485 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.740 -10.818 26.535 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.234 -10.805 27.431 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.839 -10.010 29.446 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.068 -10.796 28.475 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.152 -12.934 28.785 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.517 -12.331 28.969 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.204 -11.322 31.114 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.493 -14.313 30.176 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.399 -14.838 31.861 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.023 -12.065 33.112 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.236 -13.607 33.463 1.00 0.00 H new ATOM 659 N LEU A 84 -0.363 -7.017 27.428 1.00 0.00 N ATOM 660 CA LEU A 84 0.743 -6.346 28.105 1.00 0.00 C ATOM 661 C LEU A 84 0.232 -5.384 29.152 1.00 0.00 C ATOM 662 O LEU A 84 -0.913 -5.472 29.616 1.00 0.00 O ATOM 663 CB LEU A 84 1.651 -5.616 27.076 1.00 0.00 C ATOM 664 CG LEU A 84 1.879 -6.288 25.695 1.00 0.00 C ATOM 665 CD1 LEU A 84 2.396 -5.255 24.684 1.00 0.00 C ATOM 666 CD2 LEU A 84 2.853 -7.476 25.766 1.00 0.00 C ATOM 0 H LEU A 84 -0.667 -6.560 26.568 1.00 0.00 H new ATOM 0 HA LEU A 84 1.342 -7.103 28.611 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.227 -4.627 26.900 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.626 -5.467 27.539 1.00 0.00 H new ATOM 0 HG LEU A 84 0.914 -6.678 25.370 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.552 -5.737 23.719 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.664 -4.454 24.575 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.339 -4.839 25.039 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.974 -7.907 24.772 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.820 -7.132 26.133 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.456 -8.232 26.443 1.00 0.00 H new ATOM 667 N ASP A 85 1.174 -4.332 29.590 1.00 0.00 N ATOM 668 CA ASP A 85 0.793 -3.303 30.553 1.00 0.00 C ATOM 669 C ASP A 85 0.681 -1.952 29.886 1.00 0.00 C ATOM 670 O ASP A 85 1.376 -1.649 28.907 1.00 0.00 O ATOM 671 CB ASP A 85 1.791 -3.281 31.740 1.00 0.00 C ATOM 672 CG ASP A 85 1.186 -3.186 33.148 1.00 0.00 C ATOM 673 OD1 ASP A 85 0.020 -3.460 33.392 1.00 0.00 O ATOM 674 OD2 ASP A 85 2.087 -2.762 34.085 1.00 0.00 O ATOM 0 H ASP A 85 2.134 -4.256 29.255 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.192 -3.545 30.951 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.398 -4.185 31.691 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.466 -2.436 31.602 1.00 0.00 H new ATOM 675 N LYS A 86 -0.291 -1.007 30.478 1.00 0.00 N ATOM 676 CA LYS A 86 -0.498 0.332 29.935 1.00 0.00 C ATOM 677 C LYS A 86 -0.745 1.331 31.041 1.00 0.00 C ATOM 678 O LYS A 86 -1.856 1.853 31.212 1.00 0.00 O ATOM 679 CB LYS A 86 -1.685 0.307 28.934 1.00 0.00 C ATOM 680 CG LYS A 86 -1.646 1.462 27.903 1.00 0.00 C ATOM 681 CD LYS A 86 -2.464 2.698 28.290 1.00 0.00 C ATOM 682 CE LYS A 86 -3.190 3.233 27.048 1.00 0.00 C ATOM 683 NZ LYS A 86 -3.152 4.706 27.055 1.00 0.00 N ATOM 0 H LYS A 86 -0.870 -1.224 31.289 1.00 0.00 H new ATOM 0 HA LYS A 86 0.404 0.644 29.408 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.682 -0.645 28.402 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.621 0.358 29.491 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.609 1.762 27.754 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.010 1.088 26.946 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.186 2.443 29.066 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.811 3.466 28.703 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.717 2.850 26.144 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.223 2.885 27.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.644 5.070 26.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.622 5.061 27.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.163 5.028 27.044 1.00 0.00 H new ATOM 684 N ILE A 87 0.408 1.643 31.913 1.00 0.00 N ATOM 685 CA ILE A 87 0.345 2.683 32.936 1.00 0.00 C ATOM 686 C ILE A 87 1.321 3.799 32.643 1.00 0.00 C ATOM 687 O ILE A 87 1.646 4.622 33.512 1.00 0.00 O ATOM 688 CB ILE A 87 0.562 2.080 34.384 1.00 0.00 C ATOM 689 CG1 ILE A 87 1.686 0.998 34.476 1.00 0.00 C ATOM 690 CG2 ILE A 87 -0.743 1.478 34.990 1.00 0.00 C ATOM 691 CD1 ILE A 87 3.125 1.501 34.246 1.00 0.00 C ATOM 0 H ILE A 87 1.306 1.162 31.859 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.656 3.113 32.912 1.00 0.00 H new ATOM 0 HB ILE A 87 0.878 2.947 34.964 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.637 0.534 35.461 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.473 0.218 33.745 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.533 1.080 35.983 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.502 2.256 35.064 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.107 0.676 34.347 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.821 0.666 34.333 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.203 1.936 33.250 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.370 2.257 34.992 1.00 0.00 H new ATOM 692 N THR A 88 1.838 3.882 31.260 1.00 0.00 N ATOM 693 CA THR A 88 2.789 4.913 30.852 1.00 0.00 C ATOM 694 C THR A 88 2.356 5.565 29.560 1.00 0.00 C ATOM 695 O THR A 88 1.925 4.901 28.607 1.00 0.00 O ATOM 696 CB THR A 88 4.229 4.314 30.717 1.00 0.00 C ATOM 697 OG1 THR A 88 4.681 3.816 31.969 1.00 0.00 O ATOM 698 CG2 THR A 88 5.337 5.290 30.266 1.00 0.00 C ATOM 0 H THR A 88 1.571 3.239 30.515 1.00 0.00 H new ATOM 0 HA THR A 88 2.810 5.680 31.626 1.00 0.00 H new ATOM 0 HB THR A 88 4.097 3.555 29.946 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.582 3.444 31.867 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.288 4.760 30.209 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.088 5.695 29.285 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.418 6.105 30.985 1.00 0.00 H new ATOM 699 N HIS A 89 2.440 7.041 29.510 1.00 0.00 N ATOM 700 CA HIS A 89 2.146 7.795 28.293 1.00 0.00 C ATOM 701 C HIS A 89 3.309 8.683 27.917 1.00 0.00 C ATOM 702 O HIS A 89 3.139 9.804 27.419 1.00 0.00 O ATOM 703 CB HIS A 89 0.899 8.640 28.598 1.00 0.00 C ATOM 704 CG HIS A 89 0.348 9.306 27.371 1.00 0.00 C ATOM 705 ND1 HIS A 89 0.219 10.680 27.177 1.00 0.00 N ATOM 706 CD2 HIS A 89 -0.106 8.593 26.270 1.00 0.00 C ATOM 707 CE1 HIS A 89 -0.318 10.688 25.943 1.00 0.00 C ATOM 708 NE2 HIS A 89 -0.542 9.493 25.332 1.00 0.00 N ATOM 0 H HIS A 89 2.704 7.620 30.307 1.00 0.00 H new ATOM 0 HA HIS A 89 1.974 7.125 27.450 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.131 8.004 29.039 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.150 9.399 29.339 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.114 7.518 26.170 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.564 11.617 25.451 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -0.935 9.312 24.408 1.00 0.00 H new ATOM 709 N ALA A 90 4.658 8.153 28.212 1.00 0.00 N ATOM 710 CA ALA A 90 5.866 8.944 27.995 1.00 0.00 C ATOM 711 C ALA A 90 6.900 8.152 27.230 1.00 0.00 C ATOM 712 O ALA A 90 7.476 7.176 27.730 1.00 0.00 O ATOM 713 CB ALA A 90 6.372 9.410 29.372 1.00 0.00 C ATOM 0 H ALA A 90 4.831 7.217 28.580 1.00 0.00 H new ATOM 0 HA ALA A 90 5.653 9.818 27.380 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.276 10.005 29.245 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.605 10.014 29.856 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.594 8.541 29.991 1.00 0.00 H new ATOM 714 N CYS A 91 7.159 8.584 25.839 1.00 0.00 N ATOM 715 CA CYS A 91 8.070 7.858 24.960 1.00 0.00 C ATOM 716 C CYS A 91 9.457 8.454 25.007 1.00 0.00 C ATOM 717 O CYS A 91 10.458 7.760 25.234 1.00 0.00 O ATOM 718 CB CYS A 91 7.480 7.854 23.536 1.00 0.00 C ATOM 719 SG CYS A 91 6.016 6.798 23.453 1.00 0.00 S ATOM 0 H CYS A 91 6.727 9.402 25.410 1.00 0.00 H new ATOM 0 HA CYS A 91 8.173 6.826 25.297 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.218 8.871 23.243 1.00 0.00 H new ATOM 0 HB3 CYS A 91 8.230 7.501 22.828 1.00 0.00 H new ATOM 0 HG CYS A 91 5.537 6.814 22.244 1.00 0.00 H new ATOM 720 N ARG A 92 9.549 9.916 24.806 1.00 0.00 N ATOM 721 CA ARG A 92 10.823 10.627 24.864 1.00 0.00 C ATOM 722 C ARG A 92 11.342 10.693 26.281 1.00 0.00 C ATOM 723 O ARG A 92 11.185 9.768 27.075 1.00 0.00 O ATOM 724 CB ARG A 92 10.635 12.047 24.263 1.00 0.00 C ATOM 725 CG ARG A 92 9.726 12.110 23.007 1.00 0.00 C ATOM 726 CD ARG A 92 9.753 13.486 22.329 1.00 0.00 C ATOM 727 NE ARG A 92 11.147 13.997 22.364 1.00 0.00 N ATOM 728 CZ ARG A 92 11.647 14.808 23.286 1.00 0.00 C ATOM 729 NH1 ARG A 92 10.975 15.271 24.298 1.00 0.00 N ATOM 730 NH2 ARG A 92 12.879 15.156 23.165 1.00 0.00 N ATOM 731 OXT ARG A 92 12.042 11.888 26.637 1.00 0.00 O ATOM 0 H ARG A 92 8.744 10.514 24.617 1.00 0.00 H new ATOM 0 HA ARG A 92 11.567 10.088 24.278 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.215 12.698 25.030 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.615 12.449 24.005 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.045 11.351 22.293 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.702 11.869 23.292 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.403 13.409 21.300 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.083 14.175 22.843 1.00 0.00 H new ATOM 0 HE ARG A 92 11.773 13.699 21.616 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.996 15.013 24.421 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.427 15.892 24.969 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.432 14.809 22.381 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.303 15.779 23.853 1.00 0.00 H new TER 732 ARG A 92 HETATM 733 ZN ZN A 93 1.865 -1.897 4.309 1.00 0.00 ZN