USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 526 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 42 MET CE :methyl 151:sc= -0.0945 (180deg=-0.864) USER MOD Set 1.2: A 56 HIS : no HD1:sc=-0.000409 K(o=-0.095,f=-1.1) USER MOD Set 2.1: A 27 THR OG1 : rot -28:sc= 0.44 USER MOD Set 2.2: A 28 THR OG1 : rot 82:sc= 0.834 USER MOD Set 3.1: A 8 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 65 HIS : no HD1:sc= -0.755 K(o=-0.76,f=-1.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 53:sc= -1.27! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 146:sc= 1.85 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0959 K(o=-0.096,f=-2.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -2.26 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.853 K(o=-0.85,f=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -82:sc= 0.983 USER MOD Single : A 49 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.126) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= -0.0755 (180deg=-0.888) USER MOD Single : A 67 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.2!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 -6.434 14.852 -6.429 1.00 0.00 N ATOM 2 CA PRO A 5 -7.258 13.620 -6.415 1.00 0.00 C ATOM 3 C PRO A 5 -8.069 13.537 -5.119 1.00 0.00 C ATOM 4 O PRO A 5 -7.524 13.560 -4.031 1.00 0.00 O ATOM 5 CB PRO A 5 -6.238 12.492 -6.498 1.00 0.00 C ATOM 6 CG PRO A 5 -4.970 13.062 -5.949 1.00 0.00 C ATOM 7 CD PRO A 5 -5.032 14.562 -6.103 1.00 0.00 C ATOM 0 HA PRO A 5 -7.982 13.582 -7.229 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.562 11.626 -5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.105 12.157 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.852 12.791 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.108 12.659 -6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.728 15.066 -5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.364 14.906 -6.893 1.00 0.00 H new ATOM 15 N THR A 6 -9.368 13.456 -5.235 1.00 0.00 N ATOM 16 CA THR A 6 -10.240 13.389 -4.020 1.00 0.00 C ATOM 17 C THR A 6 -10.056 12.052 -3.285 1.00 0.00 C ATOM 18 O THR A 6 -10.038 12.007 -2.068 1.00 0.00 O ATOM 19 CB THR A 6 -11.673 13.516 -4.551 1.00 0.00 C ATOM 20 OG1 THR A 6 -11.807 14.745 -5.251 1.00 0.00 O ATOM 21 CG2 THR A 6 -12.662 13.492 -3.383 1.00 0.00 C ATOM 0 H THR A 6 -9.868 13.433 -6.124 1.00 0.00 H new ATOM 0 HA THR A 6 -9.995 14.172 -3.303 1.00 0.00 H new ATOM 0 HB THR A 6 -11.884 12.683 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.721 14.829 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.679 13.583 -3.765 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.561 12.552 -2.840 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.452 14.324 -2.711 1.00 0.00 H new ATOM 29 N ASP A 7 -9.934 10.966 -4.008 1.00 0.00 N ATOM 30 CA ASP A 7 -9.770 9.634 -3.343 1.00 0.00 C ATOM 31 C ASP A 7 -8.432 8.994 -3.726 1.00 0.00 C ATOM 32 O ASP A 7 -8.060 8.949 -4.882 1.00 0.00 O ATOM 33 CB ASP A 7 -10.948 8.785 -3.844 1.00 0.00 C ATOM 34 CG ASP A 7 -10.892 8.621 -5.372 1.00 0.00 C ATOM 35 OD1 ASP A 7 -10.226 9.414 -6.020 1.00 0.00 O ATOM 36 OD2 ASP A 7 -11.524 7.704 -5.867 1.00 0.00 O ATOM 0 H ASP A 7 -9.941 10.943 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.767 9.720 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.924 7.805 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.889 9.256 -3.558 1.00 0.00 H new ATOM 41 N CYS A 8 -7.711 8.502 -2.752 1.00 0.00 N ATOM 42 CA CYS A 8 -6.391 7.864 -3.029 1.00 0.00 C ATOM 43 C CYS A 8 -6.314 6.493 -2.346 1.00 0.00 C ATOM 44 O CYS A 8 -5.255 6.063 -1.930 1.00 0.00 O ATOM 45 CB CYS A 8 -5.357 8.827 -2.429 1.00 0.00 C ATOM 46 SG CYS A 8 -4.427 9.647 -3.751 1.00 0.00 S ATOM 0 H CYS A 8 -7.983 8.515 -1.769 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.223 7.696 -4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.858 9.572 -1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.674 8.280 -1.779 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.557 10.460 -3.230 1.00 0.00 H new ATOM 52 N SER A 9 -7.428 5.821 -2.203 1.00 0.00 N ATOM 53 CA SER A 9 -7.424 4.489 -1.515 1.00 0.00 C ATOM 54 C SER A 9 -6.502 3.507 -2.242 1.00 0.00 C ATOM 55 O SER A 9 -5.720 3.891 -3.091 1.00 0.00 O ATOM 56 CB SER A 9 -8.872 4.002 -1.573 1.00 0.00 C ATOM 57 OG SER A 9 -9.364 4.151 -2.898 1.00 0.00 O ATOM 0 H SER A 9 -8.341 6.135 -2.532 1.00 0.00 H new ATOM 0 HA SER A 9 -7.058 4.564 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.929 2.957 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.488 4.572 -0.878 1.00 0.00 H new ATOM 0 HG SER A 9 -10.292 3.838 -2.940 1.00 0.00 H new ATOM 63 N ILE A 10 -6.572 2.248 -1.894 1.00 0.00 N ATOM 64 CA ILE A 10 -5.681 1.232 -2.534 1.00 0.00 C ATOM 65 C ILE A 10 -6.069 0.993 -4.000 1.00 0.00 C ATOM 66 O ILE A 10 -5.213 0.825 -4.841 1.00 0.00 O ATOM 67 CB ILE A 10 -5.858 -0.045 -1.701 1.00 0.00 C ATOM 68 CG1 ILE A 10 -5.423 0.228 -0.258 1.00 0.00 C ATOM 69 CG2 ILE A 10 -4.997 -1.171 -2.280 1.00 0.00 C ATOM 70 CD1 ILE A 10 -5.816 -0.954 0.630 1.00 0.00 C ATOM 0 H ILE A 10 -7.211 1.877 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.643 1.564 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.906 -0.344 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.345 0.384 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.892 1.142 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.129 -2.073 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.300 -1.369 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.949 -0.873 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.505 -0.757 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.897 -1.090 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.326 -1.859 0.270 1.00 0.00 H new ATOM 82 N VAL A 11 -7.341 0.947 -4.313 1.00 0.00 N ATOM 83 CA VAL A 11 -7.760 0.685 -5.734 1.00 0.00 C ATOM 84 C VAL A 11 -7.069 1.660 -6.711 1.00 0.00 C ATOM 85 O VAL A 11 -6.433 1.244 -7.661 1.00 0.00 O ATOM 86 CB VAL A 11 -9.284 0.899 -5.741 1.00 0.00 C ATOM 87 CG1 VAL A 11 -9.834 0.729 -7.165 1.00 0.00 C ATOM 88 CG2 VAL A 11 -9.955 -0.123 -4.810 1.00 0.00 C ATOM 0 H VAL A 11 -8.107 1.078 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.480 -0.317 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.500 1.909 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.913 0.882 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.367 1.460 -7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.612 -0.276 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.034 0.032 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.731 -1.132 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.577 0.006 -3.796 1.00 0.00 H new ATOM 98 N SER A 12 -7.208 2.942 -6.496 1.00 0.00 N ATOM 99 CA SER A 12 -6.580 3.945 -7.423 1.00 0.00 C ATOM 100 C SER A 12 -5.050 3.797 -7.488 1.00 0.00 C ATOM 101 O SER A 12 -4.457 3.906 -8.544 1.00 0.00 O ATOM 102 CB SER A 12 -6.950 5.306 -6.835 1.00 0.00 C ATOM 103 OG SER A 12 -8.363 5.457 -6.856 1.00 0.00 O ATOM 0 H SER A 12 -7.730 3.344 -5.717 1.00 0.00 H new ATOM 0 HA SER A 12 -6.936 3.810 -8.444 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.579 5.387 -5.813 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.479 6.104 -7.409 1.00 0.00 H new ATOM 0 HG SER A 12 -8.605 6.328 -6.478 1.00 0.00 H new ATOM 109 N PHE A 13 -4.409 3.582 -6.368 1.00 0.00 N ATOM 110 CA PHE A 13 -2.910 3.461 -6.358 1.00 0.00 C ATOM 111 C PHE A 13 -2.431 2.298 -7.242 1.00 0.00 C ATOM 112 O PHE A 13 -1.500 2.439 -8.013 1.00 0.00 O ATOM 113 CB PHE A 13 -2.548 3.220 -4.888 1.00 0.00 C ATOM 114 CG PHE A 13 -1.050 3.075 -4.734 1.00 0.00 C ATOM 115 CD1 PHE A 13 -0.212 4.184 -4.906 1.00 0.00 C ATOM 116 CD2 PHE A 13 -0.502 1.827 -4.413 1.00 0.00 C ATOM 117 CE1 PHE A 13 1.173 4.045 -4.755 1.00 0.00 C ATOM 118 CE2 PHE A 13 0.883 1.688 -4.264 1.00 0.00 C ATOM 119 CZ PHE A 13 1.720 2.796 -4.435 1.00 0.00 C ATOM 0 H PHE A 13 -4.855 3.484 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.430 4.352 -6.762 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.905 4.050 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.047 2.321 -4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.634 5.146 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.148 0.972 -4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.819 4.900 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.305 0.725 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.788 2.688 -4.320 1.00 0.00 H new ATOM 129 N LEU A 14 -3.051 1.157 -7.121 1.00 0.00 N ATOM 130 CA LEU A 14 -2.633 -0.026 -7.934 1.00 0.00 C ATOM 131 C LEU A 14 -2.807 0.251 -9.430 1.00 0.00 C ATOM 132 O LEU A 14 -1.976 -0.121 -10.234 1.00 0.00 O ATOM 133 CB LEU A 14 -3.543 -1.169 -7.479 1.00 0.00 C ATOM 134 CG LEU A 14 -3.168 -1.574 -6.052 1.00 0.00 C ATOM 135 CD1 LEU A 14 -4.198 -2.566 -5.512 1.00 0.00 C ATOM 136 CD2 LEU A 14 -1.783 -2.225 -6.055 1.00 0.00 C ATOM 0 H LEU A 14 -3.835 0.990 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.580 -0.266 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.587 -0.857 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.440 -2.021 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.153 -0.689 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.929 -2.853 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.184 -2.101 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.217 -3.452 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.515 -2.514 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.798 -3.109 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.048 -1.516 -6.436 1.00 0.00 H new ATOM 148 N ALA A 15 -3.876 0.909 -9.811 1.00 0.00 N ATOM 149 CA ALA A 15 -4.095 1.210 -11.263 1.00 0.00 C ATOM 150 C ALA A 15 -2.930 2.046 -11.798 1.00 0.00 C ATOM 151 O ALA A 15 -2.419 1.806 -12.875 1.00 0.00 O ATOM 152 CB ALA A 15 -5.399 2.008 -11.321 1.00 0.00 C ATOM 0 H ALA A 15 -4.604 1.250 -9.183 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.152 0.306 -11.869 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.623 2.264 -12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.211 1.408 -10.912 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.293 2.922 -10.736 1.00 0.00 H new ATOM 158 N ARG A 16 -2.512 3.025 -11.042 1.00 0.00 N ATOM 159 CA ARG A 16 -1.378 3.891 -11.485 1.00 0.00 C ATOM 160 C ARG A 16 -0.098 3.056 -11.618 1.00 0.00 C ATOM 161 O ARG A 16 0.786 3.383 -12.387 1.00 0.00 O ATOM 162 CB ARG A 16 -1.223 4.940 -10.385 1.00 0.00 C ATOM 163 CG ARG A 16 -2.434 5.875 -10.407 1.00 0.00 C ATOM 164 CD ARG A 16 -2.252 6.973 -9.359 1.00 0.00 C ATOM 165 NE ARG A 16 -1.068 7.745 -9.824 1.00 0.00 N ATOM 166 CZ ARG A 16 -1.222 8.947 -10.310 1.00 0.00 C ATOM 167 NH1 ARG A 16 -2.121 9.166 -11.232 1.00 0.00 N ATOM 168 NH2 ARG A 16 -0.478 9.927 -9.876 1.00 0.00 N ATOM 0 H ARG A 16 -2.908 3.264 -10.133 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.563 4.348 -12.457 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.141 4.455 -9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.306 5.510 -10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.547 6.318 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.345 5.312 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.136 7.607 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.086 6.551 -8.368 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.136 7.335 -9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.701 8.399 -11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.243 10.104 -11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.224 9.754 -9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.599 10.866 -10.256 1.00 0.00 H new ATOM 182 N LEU A 17 -0.002 1.975 -10.884 1.00 0.00 N ATOM 183 CA LEU A 17 1.210 1.103 -10.969 1.00 0.00 C ATOM 184 C LEU A 17 0.924 -0.115 -11.873 1.00 0.00 C ATOM 185 O LEU A 17 1.704 -1.046 -11.939 1.00 0.00 O ATOM 186 CB LEU A 17 1.458 0.661 -9.519 1.00 0.00 C ATOM 187 CG LEU A 17 2.815 -0.044 -9.391 1.00 0.00 C ATOM 188 CD1 LEU A 17 3.943 0.990 -9.440 1.00 0.00 C ATOM 189 CD2 LEU A 17 2.866 -0.798 -8.059 1.00 0.00 C ATOM 0 H LEU A 17 -0.714 1.658 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 17 2.072 1.613 -11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.430 1.528 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.662 -0.010 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 17 2.940 -0.746 -10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.904 0.484 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.904 1.527 -10.388 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.825 1.696 -8.618 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.828 -1.301 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.741 -0.093 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.065 -1.537 -8.028 1.00 0.00 H new ATOM 201 N GLY A 18 -0.187 -0.116 -12.580 1.00 0.00 N ATOM 202 CA GLY A 18 -0.507 -1.270 -13.472 1.00 0.00 C ATOM 203 C GLY A 18 -0.822 -2.498 -12.617 1.00 0.00 C ATOM 204 O GLY A 18 -0.585 -3.622 -13.018 1.00 0.00 O ATOM 0 H GLY A 18 -0.880 0.632 -12.574 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.358 -1.028 -14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.335 -1.479 -14.132 1.00 0.00 H new ATOM 208 N CYS A 19 -1.348 -2.290 -11.435 1.00 0.00 N ATOM 209 CA CYS A 19 -1.674 -3.439 -10.538 1.00 0.00 C ATOM 210 C CYS A 19 -3.179 -3.489 -10.267 1.00 0.00 C ATOM 211 O CYS A 19 -3.853 -2.476 -10.282 1.00 0.00 O ATOM 212 CB CYS A 19 -0.913 -3.159 -9.240 1.00 0.00 C ATOM 213 SG CYS A 19 0.867 -3.140 -9.569 1.00 0.00 S ATOM 0 H CYS A 19 -1.566 -1.370 -11.053 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.395 -4.396 -10.980 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.226 -2.202 -8.823 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.147 -3.922 -8.498 1.00 0.00 H new ATOM 0 HG CYS A 19 1.119 -2.322 -10.548 1.00 0.00 H new ATOM 219 N SER A 20 -3.711 -4.661 -10.014 1.00 0.00 N ATOM 220 CA SER A 20 -5.178 -4.788 -9.732 1.00 0.00 C ATOM 221 C SER A 20 -5.515 -6.232 -9.322 1.00 0.00 C ATOM 222 O SER A 20 -6.373 -6.467 -8.494 1.00 0.00 O ATOM 223 CB SER A 20 -5.884 -4.429 -11.042 1.00 0.00 C ATOM 224 OG SER A 20 -7.264 -4.210 -10.785 1.00 0.00 O ATOM 0 H SER A 20 -3.191 -5.538 -9.990 1.00 0.00 H new ATOM 0 HA SER A 20 -5.491 -4.137 -8.915 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.437 -3.535 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.760 -5.233 -11.768 1.00 0.00 H new ATOM 0 HG SER A 20 -7.720 -3.978 -11.621 1.00 0.00 H new ATOM 230 N SER A 21 -4.850 -7.195 -9.912 1.00 0.00 N ATOM 231 CA SER A 21 -5.124 -8.631 -9.583 1.00 0.00 C ATOM 232 C SER A 21 -4.896 -8.918 -8.094 1.00 0.00 C ATOM 233 O SER A 21 -5.493 -9.820 -7.538 1.00 0.00 O ATOM 234 CB SER A 21 -4.134 -9.430 -10.432 1.00 0.00 C ATOM 235 OG SER A 21 -4.364 -9.153 -11.806 1.00 0.00 O ATOM 0 H SER A 21 -4.124 -7.048 -10.613 1.00 0.00 H new ATOM 0 HA SER A 21 -6.161 -8.895 -9.791 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.111 -9.167 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.250 -10.497 -10.240 1.00 0.00 H new ATOM 0 HG SER A 21 -3.730 -9.662 -12.353 1.00 0.00 H new ATOM 241 N CYS A 22 -4.045 -8.163 -7.443 1.00 0.00 N ATOM 242 CA CYS A 22 -3.790 -8.401 -5.986 1.00 0.00 C ATOM 243 C CYS A 22 -4.760 -7.585 -5.114 1.00 0.00 C ATOM 244 O CYS A 22 -4.690 -7.626 -3.900 1.00 0.00 O ATOM 245 CB CYS A 22 -2.350 -7.936 -5.758 1.00 0.00 C ATOM 246 SG CYS A 22 -1.203 -9.190 -6.382 1.00 0.00 S ATOM 0 H CYS A 22 -3.517 -7.394 -7.855 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.938 -9.447 -5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.179 -6.987 -6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.176 -7.765 -4.696 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.144 -8.609 -6.862 1.00 0.00 H new ATOM 252 N LEU A 23 -5.647 -6.832 -5.721 1.00 0.00 N ATOM 253 CA LEU A 23 -6.601 -5.998 -4.925 1.00 0.00 C ATOM 254 C LEU A 23 -7.461 -6.888 -4.014 1.00 0.00 C ATOM 255 O LEU A 23 -7.749 -6.532 -2.888 1.00 0.00 O ATOM 256 CB LEU A 23 -7.478 -5.290 -5.966 1.00 0.00 C ATOM 257 CG LEU A 23 -8.487 -4.379 -5.260 1.00 0.00 C ATOM 258 CD1 LEU A 23 -7.757 -3.170 -4.670 1.00 0.00 C ATOM 259 CD2 LEU A 23 -9.535 -3.898 -6.267 1.00 0.00 C ATOM 0 H LEU A 23 -5.751 -6.760 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.083 -5.290 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.855 -4.704 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.003 -6.027 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.979 -4.934 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.475 -2.521 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.011 -3.510 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.265 -2.616 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.253 -3.250 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.044 -3.344 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.056 -4.758 -6.689 1.00 0.00 H new ATOM 271 N ASP A 24 -7.894 -8.026 -4.498 1.00 0.00 N ATOM 272 CA ASP A 24 -8.763 -8.928 -3.668 1.00 0.00 C ATOM 273 C ASP A 24 -8.120 -9.251 -2.309 1.00 0.00 C ATOM 274 O ASP A 24 -8.807 -9.370 -1.313 1.00 0.00 O ATOM 275 CB ASP A 24 -8.913 -10.207 -4.499 1.00 0.00 C ATOM 276 CG ASP A 24 -9.785 -9.923 -5.725 1.00 0.00 C ATOM 277 OD1 ASP A 24 -10.659 -9.077 -5.628 1.00 0.00 O ATOM 278 OD2 ASP A 24 -9.566 -10.561 -6.742 1.00 0.00 O ATOM 0 H ASP A 24 -7.684 -8.373 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.719 -8.455 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.933 -10.566 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.363 -10.995 -3.895 1.00 0.00 H new ATOM 283 N TYR A 25 -6.821 -9.412 -2.258 1.00 0.00 N ATOM 284 CA TYR A 25 -6.164 -9.741 -0.951 1.00 0.00 C ATOM 285 C TYR A 25 -6.374 -8.598 0.052 1.00 0.00 C ATOM 286 O TYR A 25 -6.608 -8.830 1.225 1.00 0.00 O ATOM 287 CB TYR A 25 -4.676 -9.923 -1.269 1.00 0.00 C ATOM 288 CG TYR A 25 -4.495 -11.139 -2.150 1.00 0.00 C ATOM 289 CD1 TYR A 25 -4.326 -12.405 -1.572 1.00 0.00 C ATOM 290 CD2 TYR A 25 -4.499 -11.002 -3.543 1.00 0.00 C ATOM 291 CE1 TYR A 25 -4.161 -13.531 -2.388 1.00 0.00 C ATOM 292 CE2 TYR A 25 -4.333 -12.128 -4.359 1.00 0.00 C ATOM 293 CZ TYR A 25 -4.165 -13.393 -3.782 1.00 0.00 C ATOM 294 OH TYR A 25 -4.005 -14.503 -4.590 1.00 0.00 O ATOM 0 H TYR A 25 -6.190 -9.331 -3.056 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.585 -10.639 -0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.289 -9.036 -1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.108 -10.041 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.323 -12.512 -0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.630 -10.027 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.031 -14.506 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.335 -12.021 -5.434 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.033 -14.230 -5.531 1.00 0.00 H new ATOM 304 N PHE A 26 -6.286 -7.371 -0.398 1.00 0.00 N ATOM 305 CA PHE A 26 -6.476 -6.210 0.531 1.00 0.00 C ATOM 306 C PHE A 26 -7.928 -6.152 1.019 1.00 0.00 C ATOM 307 O PHE A 26 -8.196 -5.867 2.166 1.00 0.00 O ATOM 308 CB PHE A 26 -6.175 -4.965 -0.306 1.00 0.00 C ATOM 309 CG PHE A 26 -4.712 -4.922 -0.671 1.00 0.00 C ATOM 310 CD1 PHE A 26 -3.775 -4.410 0.235 1.00 0.00 C ATOM 311 CD2 PHE A 26 -4.294 -5.377 -1.927 1.00 0.00 C ATOM 312 CE1 PHE A 26 -2.420 -4.357 -0.115 1.00 0.00 C ATOM 313 CE2 PHE A 26 -2.940 -5.324 -2.277 1.00 0.00 C ATOM 314 CZ PHE A 26 -2.003 -4.814 -1.370 1.00 0.00 C ATOM 0 H PHE A 26 -6.091 -7.121 -1.368 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.832 -6.289 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.783 -4.971 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.444 -4.069 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.097 -4.056 1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.017 -5.769 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.697 -3.963 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.618 -5.676 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.958 -4.773 -1.639 1.00 0.00 H new ATOM 324 N THR A 27 -8.856 -6.415 0.141 1.00 0.00 N ATOM 325 CA THR A 27 -10.297 -6.369 0.534 1.00 0.00 C ATOM 326 C THR A 27 -10.605 -7.460 1.562 1.00 0.00 C ATOM 327 O THR A 27 -11.345 -7.247 2.504 1.00 0.00 O ATOM 328 CB THR A 27 -11.084 -6.594 -0.760 1.00 0.00 C ATOM 329 OG1 THR A 27 -10.740 -7.856 -1.313 1.00 0.00 O ATOM 330 CG2 THR A 27 -10.759 -5.488 -1.769 1.00 0.00 C ATOM 0 H THR A 27 -8.681 -6.660 -0.833 1.00 0.00 H new ATOM 0 HA THR A 27 -10.562 -5.420 0.999 1.00 0.00 H new ATOM 0 HB THR A 27 -12.151 -6.572 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.827 -8.092 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.323 -5.655 -2.687 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.030 -4.520 -1.348 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.692 -5.500 -1.991 1.00 0.00 H new ATOM 338 N THR A 28 -10.042 -8.624 1.384 1.00 0.00 N ATOM 339 CA THR A 28 -10.294 -9.743 2.342 1.00 0.00 C ATOM 340 C THR A 28 -9.719 -9.430 3.733 1.00 0.00 C ATOM 341 O THR A 28 -10.093 -10.051 4.710 1.00 0.00 O ATOM 342 CB THR A 28 -9.587 -10.960 1.734 1.00 0.00 C ATOM 343 OG1 THR A 28 -10.122 -11.221 0.445 1.00 0.00 O ATOM 344 CG2 THR A 28 -9.796 -12.183 2.632 1.00 0.00 C ATOM 0 H THR A 28 -9.415 -8.851 0.613 1.00 0.00 H new ATOM 0 HA THR A 28 -11.362 -9.912 2.483 1.00 0.00 H new ATOM 0 HB THR A 28 -8.520 -10.754 1.652 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.701 -10.627 -0.211 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.292 -13.045 2.196 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.383 -11.983 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.862 -12.392 2.720 1.00 0.00 H new ATOM 352 N GLN A 29 -8.797 -8.503 3.830 1.00 0.00 N ATOM 353 CA GLN A 29 -8.185 -8.192 5.162 1.00 0.00 C ATOM 354 C GLN A 29 -8.815 -6.952 5.813 1.00 0.00 C ATOM 355 O GLN A 29 -8.495 -6.617 6.939 1.00 0.00 O ATOM 356 CB GLN A 29 -6.715 -7.920 4.843 1.00 0.00 C ATOM 357 CG GLN A 29 -6.078 -9.162 4.212 1.00 0.00 C ATOM 358 CD GLN A 29 -5.706 -10.169 5.305 1.00 0.00 C ATOM 359 OE1 GLN A 29 -5.582 -9.812 6.460 1.00 0.00 O ATOM 360 NE2 GLN A 29 -5.512 -11.423 4.988 1.00 0.00 N ATOM 0 H GLN A 29 -8.443 -7.950 3.049 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.335 -9.008 5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.633 -7.073 4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.181 -7.650 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.772 -9.618 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.189 -8.879 3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.615 -11.726 4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.257 -12.098 5.709 1.00 0.00 H new ATOM 369 N GLY A 30 -9.685 -6.256 5.123 1.00 0.00 N ATOM 370 CA GLY A 30 -10.302 -5.029 5.715 1.00 0.00 C ATOM 371 C GLY A 30 -9.440 -3.794 5.393 1.00 0.00 C ATOM 372 O GLY A 30 -9.666 -2.720 5.916 1.00 0.00 O ATOM 0 H GLY A 30 -9.994 -6.484 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.309 -4.892 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.396 -5.145 6.795 1.00 0.00 H new ATOM 376 N LEU A 31 -8.468 -3.939 4.523 1.00 0.00 N ATOM 377 CA LEU A 31 -7.607 -2.780 4.147 1.00 0.00 C ATOM 378 C LEU A 31 -8.136 -2.164 2.856 1.00 0.00 C ATOM 379 O LEU A 31 -8.096 -2.773 1.803 1.00 0.00 O ATOM 380 CB LEU A 31 -6.213 -3.372 3.949 1.00 0.00 C ATOM 381 CG LEU A 31 -5.568 -3.602 5.318 1.00 0.00 C ATOM 382 CD1 LEU A 31 -4.797 -4.925 5.312 1.00 0.00 C ATOM 383 CD2 LEU A 31 -4.602 -2.456 5.631 1.00 0.00 C ATOM 0 H LEU A 31 -8.236 -4.816 4.057 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.595 -1.991 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.278 -4.312 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.599 -2.697 3.353 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.349 -3.640 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.340 -5.084 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.482 -5.744 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.020 -4.890 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.144 -2.622 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.825 -2.416 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.148 -1.513 5.643 1.00 0.00 H new ATOM 395 N THR A 32 -8.646 -0.966 2.936 1.00 0.00 N ATOM 396 CA THR A 32 -9.203 -0.301 1.720 1.00 0.00 C ATOM 397 C THR A 32 -8.732 1.152 1.617 1.00 0.00 C ATOM 398 O THR A 32 -9.427 1.991 1.076 1.00 0.00 O ATOM 399 CB THR A 32 -10.720 -0.356 1.906 1.00 0.00 C ATOM 400 OG1 THR A 32 -11.046 0.019 3.237 1.00 0.00 O ATOM 401 CG2 THR A 32 -11.219 -1.776 1.637 1.00 0.00 C ATOM 0 H THR A 32 -8.702 -0.416 3.793 1.00 0.00 H new ATOM 0 HA THR A 32 -8.875 -0.794 0.805 1.00 0.00 H new ATOM 0 HB THR A 32 -11.197 0.331 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.018 -0.014 3.357 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.300 -1.813 1.770 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.969 -2.062 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.744 -2.467 2.334 1.00 0.00 H new ATOM 409 N THR A 33 -7.562 1.459 2.119 1.00 0.00 N ATOM 410 CA THR A 33 -7.058 2.864 2.033 1.00 0.00 C ATOM 411 C THR A 33 -5.526 2.878 1.966 1.00 0.00 C ATOM 412 O THR A 33 -4.859 2.083 2.602 1.00 0.00 O ATOM 413 CB THR A 33 -7.555 3.547 3.310 1.00 0.00 C ATOM 414 OG1 THR A 33 -7.312 2.703 4.425 1.00 0.00 O ATOM 415 CG2 THR A 33 -9.056 3.823 3.193 1.00 0.00 C ATOM 0 H THR A 33 -6.936 0.800 2.583 1.00 0.00 H new ATOM 0 HA THR A 33 -7.414 3.375 1.138 1.00 0.00 H new ATOM 0 HB THR A 33 -7.024 4.489 3.447 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.629 3.141 5.242 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.409 4.309 4.103 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.241 4.474 2.339 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.589 2.882 3.054 1.00 0.00 H new ATOM 423 N ILE A 34 -4.972 3.780 1.198 1.00 0.00 N ATOM 424 CA ILE A 34 -3.488 3.866 1.074 1.00 0.00 C ATOM 425 C ILE A 34 -2.860 4.295 2.412 1.00 0.00 C ATOM 426 O ILE A 34 -1.710 4.010 2.688 1.00 0.00 O ATOM 427 CB ILE A 34 -3.253 4.913 -0.030 1.00 0.00 C ATOM 428 CG1 ILE A 34 -1.785 4.896 -0.431 1.00 0.00 C ATOM 429 CG2 ILE A 34 -3.638 6.317 0.456 1.00 0.00 C ATOM 430 CD1 ILE A 34 -1.590 5.737 -1.696 1.00 0.00 C ATOM 0 H ILE A 34 -5.489 4.466 0.648 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.027 2.910 0.824 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.878 4.664 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.171 5.291 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.458 3.872 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.463 7.039 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.692 6.330 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.032 6.581 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.538 5.724 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.192 5.322 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.901 6.764 -1.502 1.00 0.00 H new ATOM 442 N TYR A 35 -3.615 4.978 3.237 1.00 0.00 N ATOM 443 CA TYR A 35 -3.079 5.431 4.557 1.00 0.00 C ATOM 444 C TYR A 35 -2.779 4.233 5.458 1.00 0.00 C ATOM 445 O TYR A 35 -1.935 4.305 6.330 1.00 0.00 O ATOM 446 CB TYR A 35 -4.173 6.307 5.166 1.00 0.00 C ATOM 447 CG TYR A 35 -4.219 7.619 4.425 1.00 0.00 C ATOM 448 CD1 TYR A 35 -3.348 8.652 4.789 1.00 0.00 C ATOM 449 CD2 TYR A 35 -5.122 7.801 3.372 1.00 0.00 C ATOM 450 CE1 TYR A 35 -3.380 9.869 4.101 1.00 0.00 C ATOM 451 CE2 TYR A 35 -5.156 9.020 2.683 1.00 0.00 C ATOM 452 CZ TYR A 35 -4.284 10.053 3.048 1.00 0.00 C ATOM 453 OH TYR A 35 -4.313 11.254 2.368 1.00 0.00 O ATOM 0 H TYR A 35 -4.583 5.242 3.052 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.143 5.978 4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.138 5.804 5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.973 6.479 6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.651 8.509 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.792 7.002 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.708 10.666 4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.854 9.163 1.871 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.996 11.216 1.666 1.00 0.00 H new ATOM 463 N GLN A 36 -3.457 3.134 5.250 1.00 0.00 N ATOM 464 CA GLN A 36 -3.203 1.927 6.093 1.00 0.00 C ATOM 465 C GLN A 36 -1.803 1.383 5.804 1.00 0.00 C ATOM 466 O GLN A 36 -1.099 0.949 6.695 1.00 0.00 O ATOM 467 CB GLN A 36 -4.257 0.902 5.664 1.00 0.00 C ATOM 468 CG GLN A 36 -5.641 1.353 6.131 1.00 0.00 C ATOM 469 CD GLN A 36 -5.901 0.828 7.544 1.00 0.00 C ATOM 470 OE1 GLN A 36 -5.758 1.552 8.510 1.00 0.00 O ATOM 471 NE2 GLN A 36 -6.285 -0.409 7.702 1.00 0.00 N ATOM 0 H GLN A 36 -4.175 3.020 4.534 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.262 2.151 7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.248 0.790 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.021 -0.074 6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.703 2.441 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.405 0.982 5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.404 -1.014 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.466 -0.771 8.638 1.00 0.00 H new ATOM 480 N ILE A 37 -1.408 1.389 4.556 1.00 0.00 N ATOM 481 CA ILE A 37 -0.062 0.853 4.187 1.00 0.00 C ATOM 482 C ILE A 37 0.959 1.977 3.930 1.00 0.00 C ATOM 483 O ILE A 37 2.047 1.720 3.448 1.00 0.00 O ATOM 484 CB ILE A 37 -0.288 0.028 2.914 1.00 0.00 C ATOM 485 CG1 ILE A 37 -0.855 0.915 1.798 1.00 0.00 C ATOM 486 CG2 ILE A 37 -1.275 -1.106 3.204 1.00 0.00 C ATOM 487 CD1 ILE A 37 -0.787 0.159 0.470 1.00 0.00 C ATOM 0 H ILE A 37 -1.961 1.743 3.775 1.00 0.00 H new ATOM 0 HA ILE A 37 0.355 0.257 4.999 1.00 0.00 H new ATOM 0 HB ILE A 37 0.668 -0.386 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.886 1.188 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.287 1.843 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.434 -1.691 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.870 -1.750 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.224 -0.686 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.189 0.785 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.250 -0.091 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.374 -0.757 0.542 1.00 0.00 H new ATOM 499 N GLU A 38 0.632 3.211 4.241 1.00 0.00 N ATOM 500 CA GLU A 38 1.608 4.327 4.004 1.00 0.00 C ATOM 501 C GLU A 38 2.903 4.102 4.794 1.00 0.00 C ATOM 502 O GLU A 38 3.985 4.393 4.318 1.00 0.00 O ATOM 503 CB GLU A 38 0.901 5.606 4.471 1.00 0.00 C ATOM 504 CG GLU A 38 0.283 6.313 3.265 1.00 0.00 C ATOM 505 CD GLU A 38 1.331 7.227 2.627 1.00 0.00 C ATOM 506 OE1 GLU A 38 1.815 8.110 3.316 1.00 0.00 O ATOM 507 OE2 GLU A 38 1.636 7.024 1.463 1.00 0.00 O ATOM 0 H GLU A 38 -0.261 3.493 4.645 1.00 0.00 H new ATOM 0 HA GLU A 38 1.894 4.388 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.128 5.362 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.611 6.266 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.068 5.580 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.585 6.895 3.575 1.00 0.00 H new ATOM 514 N HIS A 39 2.802 3.591 5.995 1.00 0.00 N ATOM 515 CA HIS A 39 4.029 3.347 6.820 1.00 0.00 C ATOM 516 C HIS A 39 4.467 1.873 6.732 1.00 0.00 C ATOM 517 O HIS A 39 5.544 1.514 7.169 1.00 0.00 O ATOM 518 CB HIS A 39 3.606 3.686 8.251 1.00 0.00 C ATOM 519 CG HIS A 39 3.207 5.136 8.336 1.00 0.00 C ATOM 520 ND1 HIS A 39 2.303 5.596 9.280 1.00 0.00 N ATOM 521 CD2 HIS A 39 3.579 6.239 7.607 1.00 0.00 C ATOM 522 CE1 HIS A 39 2.163 6.922 9.097 1.00 0.00 C ATOM 523 NE2 HIS A 39 2.919 7.365 8.090 1.00 0.00 N ATOM 0 H HIS A 39 1.923 3.331 6.442 1.00 0.00 H new ATOM 0 HA HIS A 39 4.875 3.944 6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.773 3.052 8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.426 3.484 8.940 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.278 6.233 6.784 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.518 7.551 9.692 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.996 8.323 7.748 1.00 0.00 H new ATOM 531 N TYR A 40 3.630 1.018 6.194 1.00 0.00 N ATOM 532 CA TYR A 40 3.984 -0.434 6.100 1.00 0.00 C ATOM 533 C TYR A 40 5.266 -0.648 5.287 1.00 0.00 C ATOM 534 O TYR A 40 5.518 0.027 4.308 1.00 0.00 O ATOM 535 CB TYR A 40 2.794 -1.090 5.396 1.00 0.00 C ATOM 536 CG TYR A 40 1.770 -1.509 6.424 1.00 0.00 C ATOM 537 CD1 TYR A 40 1.157 -0.549 7.237 1.00 0.00 C ATOM 538 CD2 TYR A 40 1.438 -2.861 6.566 1.00 0.00 C ATOM 539 CE1 TYR A 40 0.210 -0.940 8.191 1.00 0.00 C ATOM 540 CE2 TYR A 40 0.490 -3.254 7.520 1.00 0.00 C ATOM 541 CZ TYR A 40 -0.124 -2.293 8.333 1.00 0.00 C ATOM 542 OH TYR A 40 -1.057 -2.683 9.275 1.00 0.00 O ATOM 0 H TYR A 40 2.715 1.264 5.815 1.00 0.00 H new ATOM 0 HA TYR A 40 4.173 -0.860 7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.348 -0.393 4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.128 -1.957 4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.415 0.494 7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.913 -3.602 5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.263 -0.198 8.818 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.233 -4.297 7.628 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.171 -3.656 9.239 1.00 0.00 H new ATOM 552 N SER A 41 6.067 -1.600 5.693 1.00 0.00 N ATOM 553 CA SER A 41 7.336 -1.902 4.966 1.00 0.00 C ATOM 554 C SER A 41 7.152 -3.162 4.114 1.00 0.00 C ATOM 555 O SER A 41 6.095 -3.757 4.107 1.00 0.00 O ATOM 556 CB SER A 41 8.372 -2.143 6.062 1.00 0.00 C ATOM 557 OG SER A 41 8.647 -0.916 6.726 1.00 0.00 O ATOM 0 H SER A 41 5.893 -2.188 6.508 1.00 0.00 H new ATOM 0 HA SER A 41 7.638 -1.097 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.000 -2.880 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.287 -2.550 5.631 1.00 0.00 H new ATOM 0 HG SER A 41 9.310 -1.067 7.431 1.00 0.00 H new ATOM 563 N MET A 42 8.165 -3.561 3.388 1.00 0.00 N ATOM 564 CA MET A 42 8.041 -4.779 2.523 1.00 0.00 C ATOM 565 C MET A 42 7.778 -6.032 3.373 1.00 0.00 C ATOM 566 O MET A 42 6.994 -6.886 3.001 1.00 0.00 O ATOM 567 CB MET A 42 9.383 -4.894 1.799 1.00 0.00 C ATOM 568 CG MET A 42 9.506 -3.757 0.783 1.00 0.00 C ATOM 569 SD MET A 42 11.090 -3.882 -0.082 1.00 0.00 S ATOM 570 CE MET A 42 10.669 -5.312 -1.105 1.00 0.00 C ATOM 0 H MET A 42 9.073 -3.098 3.355 1.00 0.00 H new ATOM 0 HA MET A 42 7.206 -4.696 1.828 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.202 -4.847 2.517 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.456 -5.858 1.295 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.685 -3.805 0.068 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.432 -2.794 1.289 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.232 -5.271 -2.037 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.919 -6.228 -0.570 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.602 -5.300 -1.325 1.00 0.00 H new ATOM 580 N ASP A 43 8.428 -6.149 4.504 1.00 0.00 N ATOM 581 CA ASP A 43 8.221 -7.349 5.379 1.00 0.00 C ATOM 582 C ASP A 43 6.808 -7.340 5.979 1.00 0.00 C ATOM 583 O ASP A 43 6.160 -8.363 6.082 1.00 0.00 O ATOM 584 CB ASP A 43 9.274 -7.228 6.485 1.00 0.00 C ATOM 585 CG ASP A 43 10.667 -7.471 5.897 1.00 0.00 C ATOM 586 OD1 ASP A 43 10.774 -8.281 4.991 1.00 0.00 O ATOM 587 OD2 ASP A 43 11.605 -6.848 6.369 1.00 0.00 O ATOM 0 H ASP A 43 9.095 -5.465 4.862 1.00 0.00 H new ATOM 0 HA ASP A 43 8.321 -8.281 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.227 -6.238 6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.071 -7.951 7.275 1.00 0.00 H new ATOM 592 N ASP A 44 6.338 -6.188 6.375 1.00 0.00 N ATOM 593 CA ASP A 44 4.969 -6.084 6.975 1.00 0.00 C ATOM 594 C ASP A 44 3.887 -6.442 5.948 1.00 0.00 C ATOM 595 O ASP A 44 2.875 -7.031 6.278 1.00 0.00 O ATOM 596 CB ASP A 44 4.823 -4.621 7.408 1.00 0.00 C ATOM 597 CG ASP A 44 5.659 -4.357 8.667 1.00 0.00 C ATOM 598 OD1 ASP A 44 5.905 -5.299 9.405 1.00 0.00 O ATOM 599 OD2 ASP A 44 6.034 -3.215 8.873 1.00 0.00 O ATOM 0 H ASP A 44 6.845 -5.305 6.310 1.00 0.00 H new ATOM 0 HA ASP A 44 4.849 -6.775 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.146 -3.961 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.775 -4.395 7.604 1.00 0.00 H new ATOM 604 N LEU A 45 4.087 -6.069 4.712 1.00 0.00 N ATOM 605 CA LEU A 45 3.072 -6.358 3.650 1.00 0.00 C ATOM 606 C LEU A 45 3.012 -7.857 3.331 1.00 0.00 C ATOM 607 O LEU A 45 2.002 -8.351 2.867 1.00 0.00 O ATOM 608 CB LEU A 45 3.534 -5.561 2.428 1.00 0.00 C ATOM 609 CG LEU A 45 2.508 -5.699 1.301 1.00 0.00 C ATOM 610 CD1 LEU A 45 1.183 -5.065 1.732 1.00 0.00 C ATOM 611 CD2 LEU A 45 3.027 -4.981 0.054 1.00 0.00 C ATOM 0 H LEU A 45 4.916 -5.572 4.387 1.00 0.00 H new ATOM 0 HA LEU A 45 2.068 -6.077 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.658 -4.511 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.506 -5.922 2.093 1.00 0.00 H new ATOM 0 HG LEU A 45 2.352 -6.755 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.454 -5.164 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.811 -5.570 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.339 -4.009 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.298 -5.077 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.181 -3.926 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.972 -5.428 -0.256 1.00 0.00 H new ATOM 623 N ALA A 46 4.082 -8.583 3.561 1.00 0.00 N ATOM 624 CA ALA A 46 4.073 -10.052 3.251 1.00 0.00 C ATOM 625 C ALA A 46 2.936 -10.751 4.003 1.00 0.00 C ATOM 626 O ALA A 46 2.234 -11.575 3.448 1.00 0.00 O ATOM 627 CB ALA A 46 5.430 -10.577 3.725 1.00 0.00 C ATOM 0 H ALA A 46 4.956 -8.226 3.947 1.00 0.00 H new ATOM 0 HA ALA A 46 3.914 -10.241 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.494 -11.647 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.227 -10.062 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.537 -10.396 4.795 1.00 0.00 H new ATOM 633 N SER A 47 2.747 -10.436 5.265 1.00 0.00 N ATOM 634 CA SER A 47 1.652 -11.091 6.056 1.00 0.00 C ATOM 635 C SER A 47 0.297 -10.931 5.350 1.00 0.00 C ATOM 636 O SER A 47 -0.632 -11.676 5.598 1.00 0.00 O ATOM 637 CB SER A 47 1.635 -10.359 7.399 1.00 0.00 C ATOM 638 OG SER A 47 1.145 -9.038 7.207 1.00 0.00 O ATOM 0 H SER A 47 3.303 -9.754 5.781 1.00 0.00 H new ATOM 0 HA SER A 47 1.824 -12.161 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.005 -10.893 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.639 -10.329 7.823 1.00 0.00 H new ATOM 0 HG SER A 47 1.870 -8.464 6.883 1.00 0.00 H new ATOM 644 N LEU A 48 0.178 -9.960 4.476 1.00 0.00 N ATOM 645 CA LEU A 48 -1.115 -9.734 3.751 1.00 0.00 C ATOM 646 C LEU A 48 -1.354 -10.780 2.638 1.00 0.00 C ATOM 647 O LEU A 48 -2.316 -10.677 1.911 1.00 0.00 O ATOM 648 CB LEU A 48 -0.988 -8.334 3.154 1.00 0.00 C ATOM 649 CG LEU A 48 -2.346 -7.630 3.216 1.00 0.00 C ATOM 650 CD1 LEU A 48 -2.513 -6.958 4.582 1.00 0.00 C ATOM 651 CD2 LEU A 48 -2.428 -6.572 2.112 1.00 0.00 C ATOM 0 H LEU A 48 0.925 -9.310 4.232 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.966 -9.830 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.242 -7.759 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.645 -8.397 2.121 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.139 -8.364 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.480 -6.457 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.459 -7.712 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.718 -6.226 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.396 -6.072 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.634 -5.839 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.313 -7.051 1.140 1.00 0.00 H new ATOM 663 N LYS A 49 -0.485 -11.775 2.516 1.00 0.00 N ATOM 664 CA LYS A 49 -0.610 -12.880 1.483 1.00 0.00 C ATOM 665 C LYS A 49 -0.157 -12.429 0.092 1.00 0.00 C ATOM 666 O LYS A 49 -0.236 -13.193 -0.853 1.00 0.00 O ATOM 667 CB LYS A 49 -2.083 -13.328 1.424 1.00 0.00 C ATOM 668 CG LYS A 49 -2.560 -13.738 2.815 1.00 0.00 C ATOM 669 CD LYS A 49 -4.021 -14.180 2.740 1.00 0.00 C ATOM 670 CE LYS A 49 -4.504 -14.592 4.132 1.00 0.00 C ATOM 671 NZ LYS A 49 -3.990 -15.977 4.326 1.00 0.00 N ATOM 0 H LYS A 49 0.337 -11.869 3.113 1.00 0.00 H new ATOM 0 HA LYS A 49 0.039 -13.703 1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.703 -12.517 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.190 -14.164 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.942 -14.550 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.456 -12.903 3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.638 -13.368 2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.124 -15.015 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.120 -13.918 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.592 -14.562 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.789 -16.640 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.375 -16.234 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.446 -16.025 5.211 1.00 0.00 H new ATOM 685 N ILE A 50 0.347 -11.230 -0.053 1.00 0.00 N ATOM 686 CA ILE A 50 0.830 -10.787 -1.398 1.00 0.00 C ATOM 687 C ILE A 50 2.187 -11.445 -1.694 1.00 0.00 C ATOM 688 O ILE A 50 3.052 -11.459 -0.839 1.00 0.00 O ATOM 689 CB ILE A 50 0.963 -9.264 -1.298 1.00 0.00 C ATOM 690 CG1 ILE A 50 -0.410 -8.657 -0.997 1.00 0.00 C ATOM 691 CG2 ILE A 50 1.485 -8.702 -2.622 1.00 0.00 C ATOM 692 CD1 ILE A 50 -0.239 -7.257 -0.407 1.00 0.00 C ATOM 0 H ILE A 50 0.445 -10.543 0.694 1.00 0.00 H new ATOM 0 HA ILE A 50 0.154 -11.069 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 50 1.662 -9.013 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.004 -8.607 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.953 -9.292 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.578 -7.619 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.461 -9.135 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.789 -8.951 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.219 -6.829 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.338 -7.319 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.286 -6.623 -1.121 1.00 0.00 H new ATOM 704 N PRO A 51 2.342 -11.958 -2.897 1.00 0.00 N ATOM 705 CA PRO A 51 3.652 -12.594 -3.234 1.00 0.00 C ATOM 706 C PRO A 51 4.766 -11.546 -3.129 1.00 0.00 C ATOM 707 O PRO A 51 4.488 -10.368 -3.016 1.00 0.00 O ATOM 708 CB PRO A 51 3.479 -13.075 -4.671 1.00 0.00 C ATOM 709 CG PRO A 51 2.417 -12.200 -5.245 1.00 0.00 C ATOM 710 CD PRO A 51 1.522 -11.778 -4.108 1.00 0.00 C ATOM 0 HA PRO A 51 3.923 -13.412 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.409 -12.986 -5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.186 -14.124 -4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.857 -11.329 -5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.847 -12.735 -6.005 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.203 -10.742 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.619 -12.387 -4.068 1.00 0.00 H new ATOM 718 N GLU A 52 6.015 -11.946 -3.159 1.00 0.00 N ATOM 719 CA GLU A 52 7.123 -10.950 -3.050 1.00 0.00 C ATOM 720 C GLU A 52 7.195 -10.089 -4.312 1.00 0.00 C ATOM 721 O GLU A 52 7.591 -8.941 -4.269 1.00 0.00 O ATOM 722 CB GLU A 52 8.395 -11.786 -2.879 1.00 0.00 C ATOM 723 CG GLU A 52 9.596 -10.856 -2.726 1.00 0.00 C ATOM 724 CD GLU A 52 10.888 -11.671 -2.553 1.00 0.00 C ATOM 725 OE1 GLU A 52 10.796 -12.868 -2.323 1.00 0.00 O ATOM 726 OE2 GLU A 52 11.949 -11.081 -2.661 1.00 0.00 O ATOM 0 H GLU A 52 6.313 -12.917 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 52 6.979 -10.262 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.306 -12.430 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.534 -12.438 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.679 -10.212 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.452 -10.204 -1.864 1.00 0.00 H new ATOM 733 N GLN A 53 6.815 -10.642 -5.431 1.00 0.00 N ATOM 734 CA GLN A 53 6.859 -9.867 -6.710 1.00 0.00 C ATOM 735 C GLN A 53 5.957 -8.621 -6.605 1.00 0.00 C ATOM 736 O GLN A 53 6.146 -7.648 -7.314 1.00 0.00 O ATOM 737 CB GLN A 53 6.346 -10.855 -7.778 1.00 0.00 C ATOM 738 CG GLN A 53 5.922 -10.108 -9.048 1.00 0.00 C ATOM 739 CD GLN A 53 6.206 -10.972 -10.276 1.00 0.00 C ATOM 740 OE1 GLN A 53 7.331 -11.052 -10.729 1.00 0.00 O ATOM 741 NE2 GLN A 53 5.228 -11.628 -10.837 1.00 0.00 N ATOM 0 H GLN A 53 6.475 -11.600 -5.518 1.00 0.00 H new ATOM 0 HA GLN A 53 7.856 -9.498 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.127 -11.577 -8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.501 -11.419 -7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.861 -9.865 -9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.462 -9.164 -9.123 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.284 -11.560 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.407 -12.209 -11.656 1.00 0.00 H new ATOM 750 N PHE A 54 5.003 -8.640 -5.716 1.00 0.00 N ATOM 751 CA PHE A 54 4.103 -7.463 -5.550 1.00 0.00 C ATOM 752 C PHE A 54 4.504 -6.622 -4.330 1.00 0.00 C ATOM 753 O PHE A 54 4.060 -5.500 -4.187 1.00 0.00 O ATOM 754 CB PHE A 54 2.704 -8.055 -5.371 1.00 0.00 C ATOM 755 CG PHE A 54 2.043 -8.177 -6.724 1.00 0.00 C ATOM 756 CD1 PHE A 54 2.325 -9.273 -7.549 1.00 0.00 C ATOM 757 CD2 PHE A 54 1.157 -7.184 -7.159 1.00 0.00 C ATOM 758 CE1 PHE A 54 1.718 -9.376 -8.808 1.00 0.00 C ATOM 759 CE2 PHE A 54 0.553 -7.286 -8.417 1.00 0.00 C ATOM 760 CZ PHE A 54 0.833 -8.382 -9.241 1.00 0.00 C ATOM 0 H PHE A 54 4.807 -9.424 -5.094 1.00 0.00 H new ATOM 0 HA PHE A 54 4.156 -6.791 -6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.768 -9.033 -4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.107 -7.419 -4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.010 -10.038 -7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.940 -6.339 -6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.933 -10.222 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.129 -6.519 -8.752 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.366 -8.461 -10.212 1.00 0.00 H new ATOM 770 N ARG A 55 5.334 -7.142 -3.449 1.00 0.00 N ATOM 771 CA ARG A 55 5.740 -6.332 -2.255 1.00 0.00 C ATOM 772 C ARG A 55 6.645 -5.169 -2.676 1.00 0.00 C ATOM 773 O ARG A 55 6.526 -4.072 -2.166 1.00 0.00 O ATOM 774 CB ARG A 55 6.506 -7.285 -1.327 1.00 0.00 C ATOM 775 CG ARG A 55 5.547 -8.296 -0.696 1.00 0.00 C ATOM 776 CD ARG A 55 6.225 -8.966 0.506 1.00 0.00 C ATOM 777 NE ARG A 55 7.413 -9.675 -0.040 1.00 0.00 N ATOM 778 CZ ARG A 55 7.701 -10.877 0.380 1.00 0.00 C ATOM 779 NH1 ARG A 55 6.800 -11.820 0.323 1.00 0.00 N ATOM 780 NH2 ARG A 55 8.885 -11.135 0.865 1.00 0.00 N ATOM 0 H ARG A 55 5.740 -8.076 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 55 4.869 -5.904 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.279 -7.809 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.011 -6.716 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.632 -7.796 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.260 -9.048 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.519 -8.227 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.547 -9.662 0.999 1.00 0.00 H new ATOM 0 HE ARG A 55 8.001 -9.223 -0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.872 -11.617 -0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.024 -12.760 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.587 -10.397 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.108 -12.075 1.193 1.00 0.00 H new ATOM 794 N HIS A 56 7.546 -5.400 -3.599 1.00 0.00 N ATOM 795 CA HIS A 56 8.457 -4.301 -4.049 1.00 0.00 C ATOM 796 C HIS A 56 7.741 -3.374 -5.030 1.00 0.00 C ATOM 797 O HIS A 56 7.948 -2.178 -5.023 1.00 0.00 O ATOM 798 CB HIS A 56 9.635 -4.997 -4.734 1.00 0.00 C ATOM 799 CG HIS A 56 10.716 -3.985 -5.005 1.00 0.00 C ATOM 800 ND1 HIS A 56 11.460 -3.406 -3.988 1.00 0.00 N ATOM 801 CD2 HIS A 56 11.186 -3.433 -6.172 1.00 0.00 C ATOM 802 CE1 HIS A 56 12.328 -2.548 -4.557 1.00 0.00 C ATOM 803 NE2 HIS A 56 12.203 -2.527 -5.887 1.00 0.00 N ATOM 0 H HIS A 56 7.690 -6.299 -4.059 1.00 0.00 H new ATOM 0 HA HIS A 56 8.783 -3.683 -3.212 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.019 -5.797 -4.101 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.309 -5.458 -5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.821 -3.667 -7.161 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.038 -1.950 -4.006 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.738 -1.967 -6.551 1.00 0.00 H new ATOM 811 N ALA A 57 6.920 -3.920 -5.890 1.00 0.00 N ATOM 812 CA ALA A 57 6.203 -3.068 -6.893 1.00 0.00 C ATOM 813 C ALA A 57 5.251 -2.077 -6.207 1.00 0.00 C ATOM 814 O ALA A 57 5.180 -0.920 -6.580 1.00 0.00 O ATOM 815 CB ALA A 57 5.414 -4.053 -7.756 1.00 0.00 C ATOM 0 H ALA A 57 6.714 -4.917 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 57 6.900 -2.467 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.859 -3.506 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.102 -4.748 -8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.717 -4.609 -7.129 1.00 0.00 H new ATOM 821 N ILE A 58 4.516 -2.520 -5.218 1.00 0.00 N ATOM 822 CA ILE A 58 3.559 -1.604 -4.513 1.00 0.00 C ATOM 823 C ILE A 58 4.308 -0.669 -3.552 1.00 0.00 C ATOM 824 O ILE A 58 3.985 0.497 -3.429 1.00 0.00 O ATOM 825 CB ILE A 58 2.610 -2.530 -3.740 1.00 0.00 C ATOM 826 CG1 ILE A 58 1.882 -3.454 -4.719 1.00 0.00 C ATOM 827 CG2 ILE A 58 1.566 -1.699 -2.984 1.00 0.00 C ATOM 828 CD1 ILE A 58 1.132 -4.532 -3.933 1.00 0.00 C ATOM 0 H ILE A 58 4.535 -3.477 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 58 3.022 -0.963 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 58 3.195 -3.118 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.184 -2.880 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.596 -3.915 -5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.897 -2.364 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.069 -1.034 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.989 -1.107 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.612 -5.193 -4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.842 -5.112 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.408 -4.060 -3.269 1.00 0.00 H new ATOM 840 N TRP A 59 5.289 -1.183 -2.857 1.00 0.00 N ATOM 841 CA TRP A 59 6.054 -0.344 -1.878 1.00 0.00 C ATOM 842 C TRP A 59 6.724 0.844 -2.581 1.00 0.00 C ATOM 843 O TRP A 59 6.778 1.938 -2.053 1.00 0.00 O ATOM 844 CB TRP A 59 7.105 -1.287 -1.278 1.00 0.00 C ATOM 845 CG TRP A 59 7.763 -0.626 -0.108 1.00 0.00 C ATOM 846 CD1 TRP A 59 7.111 -0.119 0.963 1.00 0.00 C ATOM 847 CD2 TRP A 59 9.183 -0.399 0.133 1.00 0.00 C ATOM 848 NE1 TRP A 59 8.037 0.408 1.843 1.00 0.00 N ATOM 849 CE2 TRP A 59 9.328 0.259 1.377 1.00 0.00 C ATOM 850 CE3 TRP A 59 10.346 -0.696 -0.599 1.00 0.00 C ATOM 851 CZ2 TRP A 59 10.582 0.611 1.877 1.00 0.00 C ATOM 852 CZ3 TRP A 59 11.611 -0.345 -0.098 1.00 0.00 C ATOM 853 CH2 TRP A 59 11.727 0.307 1.137 1.00 0.00 C ATOM 0 H TRP A 59 5.597 -2.153 -2.924 1.00 0.00 H new ATOM 0 HA TRP A 59 5.404 0.081 -1.113 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.635 -2.219 -0.965 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.851 -1.543 -2.031 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.041 -0.125 1.107 1.00 0.00 H new ATOM 0 HE1 TRP A 59 7.796 0.853 2.729 1.00 0.00 H new ATOM 0 HE3 TRP A 59 10.267 -1.197 -1.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 10.667 1.115 2.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 12.498 -0.579 -0.668 1.00 0.00 H new ATOM 0 HH2 TRP A 59 12.702 0.575 1.517 1.00 0.00 H new ATOM 864 N LYS A 60 7.246 0.627 -3.758 1.00 0.00 N ATOM 865 CA LYS A 60 7.938 1.728 -4.507 1.00 0.00 C ATOM 866 C LYS A 60 6.992 2.906 -4.786 1.00 0.00 C ATOM 867 O LYS A 60 7.382 4.055 -4.681 1.00 0.00 O ATOM 868 CB LYS A 60 8.379 1.086 -5.828 1.00 0.00 C ATOM 869 CG LYS A 60 9.108 2.116 -6.699 1.00 0.00 C ATOM 870 CD LYS A 60 9.491 1.473 -8.032 1.00 0.00 C ATOM 871 CE LYS A 60 10.088 2.533 -8.964 1.00 0.00 C ATOM 872 NZ LYS A 60 11.309 3.028 -8.268 1.00 0.00 N ATOM 0 H LYS A 60 7.225 -0.271 -4.241 1.00 0.00 H new ATOM 0 HA LYS A 60 8.771 2.135 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.035 0.239 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.510 0.698 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.468 2.982 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.000 2.476 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.212 0.672 -7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.613 1.021 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.335 2.107 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.381 3.343 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.963 3.438 -8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.042 3.755 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.775 2.237 -7.779 1.00 0.00 H new ATOM 886 N GLY A 61 5.767 2.637 -5.155 1.00 0.00 N ATOM 887 CA GLY A 61 4.811 3.745 -5.459 1.00 0.00 C ATOM 888 C GLY A 61 4.508 4.546 -4.193 1.00 0.00 C ATOM 889 O GLY A 61 4.208 5.723 -4.251 1.00 0.00 O ATOM 0 H GLY A 61 5.386 1.697 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.234 4.401 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.887 3.336 -5.868 1.00 0.00 H new ATOM 893 N ILE A 62 4.568 3.910 -3.052 1.00 0.00 N ATOM 894 CA ILE A 62 4.263 4.626 -1.773 1.00 0.00 C ATOM 895 C ILE A 62 5.311 5.712 -1.488 1.00 0.00 C ATOM 896 O ILE A 62 4.974 6.798 -1.052 1.00 0.00 O ATOM 897 CB ILE A 62 4.294 3.527 -0.700 1.00 0.00 C ATOM 898 CG1 ILE A 62 3.162 2.537 -0.976 1.00 0.00 C ATOM 899 CG2 ILE A 62 4.102 4.138 0.694 1.00 0.00 C ATOM 900 CD1 ILE A 62 3.328 1.302 -0.092 1.00 0.00 C ATOM 0 H ILE A 62 4.815 2.926 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 62 3.303 5.141 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 62 5.258 3.020 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.199 3.008 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.168 2.247 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.126 3.348 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.902 4.851 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.141 4.650 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.519 0.600 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.284 0.825 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.300 1.599 0.956 1.00 0.00 H new ATOM 912 N LEU A 63 6.569 5.433 -1.722 1.00 0.00 N ATOM 913 CA LEU A 63 7.625 6.462 -1.452 1.00 0.00 C ATOM 914 C LEU A 63 7.381 7.720 -2.292 1.00 0.00 C ATOM 915 O LEU A 63 7.417 8.827 -1.787 1.00 0.00 O ATOM 916 CB LEU A 63 8.948 5.808 -1.850 1.00 0.00 C ATOM 917 CG LEU A 63 9.293 4.702 -0.853 1.00 0.00 C ATOM 918 CD1 LEU A 63 10.508 3.921 -1.356 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.614 5.323 0.510 1.00 0.00 C ATOM 0 H LEU A 63 6.911 4.544 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 63 7.623 6.772 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.873 5.395 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.742 6.554 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 63 8.443 4.027 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.754 3.132 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.280 3.477 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.358 4.596 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.860 4.534 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.463 5.999 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.748 5.878 0.870 1.00 0.00 H new ATOM 931 N ASP A 64 7.160 7.558 -3.571 1.00 0.00 N ATOM 932 CA ASP A 64 6.942 8.745 -4.456 1.00 0.00 C ATOM 933 C ASP A 64 5.726 9.557 -4.002 1.00 0.00 C ATOM 934 O ASP A 64 5.746 10.774 -4.024 1.00 0.00 O ATOM 935 CB ASP A 64 6.689 8.165 -5.852 1.00 0.00 C ATOM 936 CG ASP A 64 7.978 7.556 -6.419 1.00 0.00 C ATOM 937 OD1 ASP A 64 9.044 7.877 -5.914 1.00 0.00 O ATOM 938 OD2 ASP A 64 7.876 6.776 -7.351 1.00 0.00 O ATOM 0 H ASP A 64 7.121 6.655 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 64 7.798 9.420 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.911 7.403 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.325 8.948 -6.518 1.00 0.00 H new ATOM 943 N HIS A 65 4.666 8.899 -3.604 1.00 0.00 N ATOM 944 CA HIS A 65 3.443 9.640 -3.160 1.00 0.00 C ATOM 945 C HIS A 65 3.768 10.538 -1.960 1.00 0.00 C ATOM 946 O HIS A 65 3.299 11.654 -1.860 1.00 0.00 O ATOM 947 CB HIS A 65 2.432 8.560 -2.765 1.00 0.00 C ATOM 948 CG HIS A 65 1.144 9.207 -2.330 1.00 0.00 C ATOM 949 ND1 HIS A 65 0.357 9.945 -3.203 1.00 0.00 N ATOM 950 CD2 HIS A 65 0.494 9.241 -1.122 1.00 0.00 C ATOM 951 CE1 HIS A 65 -0.710 10.385 -2.514 1.00 0.00 C ATOM 952 NE2 HIS A 65 -0.677 9.986 -1.240 1.00 0.00 N ATOM 0 H HIS A 65 4.593 7.882 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 65 3.054 10.289 -3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.249 7.893 -3.608 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.835 7.949 -1.957 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.838 8.763 -0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.499 10.988 -2.939 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.362 10.184 -0.510 1.00 0.00 H new ATOM 960 N ARG A 66 4.559 10.043 -1.049 1.00 0.00 N ATOM 961 CA ARG A 66 4.921 10.839 0.162 1.00 0.00 C ATOM 962 C ARG A 66 5.728 12.081 -0.228 1.00 0.00 C ATOM 963 O ARG A 66 5.570 13.142 0.346 1.00 0.00 O ATOM 964 CB ARG A 66 5.771 9.899 1.023 1.00 0.00 C ATOM 965 CG ARG A 66 6.000 10.531 2.398 1.00 0.00 C ATOM 966 CD ARG A 66 4.700 10.483 3.202 1.00 0.00 C ATOM 967 NE ARG A 66 4.998 11.226 4.458 1.00 0.00 N ATOM 968 CZ ARG A 66 5.450 10.588 5.503 1.00 0.00 C ATOM 969 NH1 ARG A 66 4.615 10.009 6.323 1.00 0.00 N ATOM 970 NH2 ARG A 66 6.734 10.530 5.728 1.00 0.00 N ATOM 0 H ARG A 66 4.975 9.113 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 66 4.037 11.192 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.270 8.937 1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.727 9.707 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.789 9.998 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.333 11.563 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.879 10.946 2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.403 9.455 3.412 1.00 0.00 H new ATOM 0 HE ARG A 66 4.849 12.234 4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.612 10.056 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.966 9.510 7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.385 10.983 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.087 10.031 6.545 1.00 0.00 H new ATOM 984 N GLN A 67 6.615 11.943 -1.177 1.00 0.00 N ATOM 985 CA GLN A 67 7.475 13.097 -1.591 1.00 0.00 C ATOM 986 C GLN A 67 6.637 14.278 -2.103 1.00 0.00 C ATOM 987 O GLN A 67 6.968 15.422 -1.849 1.00 0.00 O ATOM 988 CB GLN A 67 8.372 12.547 -2.703 1.00 0.00 C ATOM 989 CG GLN A 67 9.376 11.565 -2.094 1.00 0.00 C ATOM 990 CD GLN A 67 10.191 10.898 -3.203 1.00 0.00 C ATOM 991 OE1 GLN A 67 9.768 10.852 -4.342 1.00 0.00 O ATOM 992 NE2 GLN A 67 11.352 10.376 -2.918 1.00 0.00 N ATOM 0 H GLN A 67 6.784 11.077 -1.688 1.00 0.00 H new ATOM 0 HA GLN A 67 8.049 13.485 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.769 12.047 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.897 13.362 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.041 12.090 -1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.850 10.808 -1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.708 10.414 -1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.904 9.930 -3.650 1.00 0.00 H new ATOM 1001 N LEU A 68 5.570 14.027 -2.824 1.00 0.00 N ATOM 1002 CA LEU A 68 4.741 15.165 -3.343 1.00 0.00 C ATOM 1003 C LEU A 68 4.020 15.881 -2.185 1.00 0.00 C ATOM 1004 O LEU A 68 3.653 17.036 -2.292 1.00 0.00 O ATOM 1005 CB LEU A 68 3.744 14.538 -4.346 1.00 0.00 C ATOM 1006 CG LEU A 68 2.559 13.870 -3.620 1.00 0.00 C ATOM 1007 CD1 LEU A 68 1.334 14.787 -3.681 1.00 0.00 C ATOM 1008 CD2 LEU A 68 2.223 12.540 -4.296 1.00 0.00 C ATOM 0 H LEU A 68 5.239 13.095 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 68 5.350 15.925 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.371 15.309 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.259 13.799 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 68 2.833 13.693 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.498 14.312 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.565 15.736 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.065 14.966 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.385 12.071 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.954 12.719 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.090 11.881 -4.253 1.00 0.00 H new ATOM 1020 N HIS A 69 3.809 15.195 -1.089 1.00 0.00 N ATOM 1021 CA HIS A 69 3.103 15.816 0.072 1.00 0.00 C ATOM 1022 C HIS A 69 4.108 16.494 1.011 1.00 0.00 C ATOM 1023 O HIS A 69 4.827 15.837 1.740 1.00 0.00 O ATOM 1024 CB HIS A 69 2.426 14.636 0.773 1.00 0.00 C ATOM 1025 CG HIS A 69 1.598 15.127 1.930 1.00 0.00 C ATOM 1026 ND1 HIS A 69 0.427 15.846 1.749 1.00 0.00 N ATOM 1027 CD2 HIS A 69 1.751 14.995 3.288 1.00 0.00 C ATOM 1028 CE1 HIS A 69 -0.076 16.115 2.968 1.00 0.00 C ATOM 1029 NE2 HIS A 69 0.692 15.619 3.942 1.00 0.00 N ATOM 0 H HIS A 69 4.097 14.227 -0.949 1.00 0.00 H new ATOM 0 HA HIS A 69 2.394 16.586 -0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.794 14.097 0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 69 3.180 13.933 1.128 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.569 14.485 3.775 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.990 16.665 3.138 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.536 15.684 4.948 1.00 0.00 H new ATOM 1037 N GLU A 70 4.154 17.803 1.002 1.00 0.00 N ATOM 1038 CA GLU A 70 5.103 18.531 1.897 1.00 0.00 C ATOM 1039 C GLU A 70 4.349 19.086 3.107 1.00 0.00 C ATOM 1040 O GLU A 70 3.326 19.731 2.968 1.00 0.00 O ATOM 1041 CB GLU A 70 5.669 19.671 1.046 1.00 0.00 C ATOM 1042 CG GLU A 70 6.764 20.407 1.828 1.00 0.00 C ATOM 1043 CD GLU A 70 7.926 19.452 2.137 1.00 0.00 C ATOM 1044 OE1 GLU A 70 8.096 18.493 1.400 1.00 0.00 O ATOM 1045 OE2 GLU A 70 8.624 19.698 3.107 1.00 0.00 O ATOM 0 H GLU A 70 3.574 18.399 0.412 1.00 0.00 H new ATOM 0 HA GLU A 70 5.894 17.884 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.077 19.275 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.873 20.365 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.126 21.257 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.354 20.805 2.756 1.00 0.00 H new ATOM 1052 N PHE A 71 4.846 18.837 4.291 1.00 0.00 N ATOM 1053 CA PHE A 71 4.159 19.342 5.515 1.00 0.00 C ATOM 1054 C PHE A 71 4.612 20.771 5.828 1.00 0.00 C ATOM 1055 O PHE A 71 3.863 21.716 5.674 1.00 0.00 O ATOM 1056 CB PHE A 71 4.585 18.386 6.629 1.00 0.00 C ATOM 1057 CG PHE A 71 3.591 18.472 7.758 1.00 0.00 C ATOM 1058 CD1 PHE A 71 2.283 18.013 7.569 1.00 0.00 C ATOM 1059 CD2 PHE A 71 3.973 19.011 8.991 1.00 0.00 C ATOM 1060 CE1 PHE A 71 1.355 18.095 8.613 1.00 0.00 C ATOM 1061 CE2 PHE A 71 3.045 19.092 10.037 1.00 0.00 C ATOM 1062 CZ PHE A 71 1.736 18.634 9.846 1.00 0.00 C ATOM 0 H PHE A 71 5.699 18.305 4.462 1.00 0.00 H new ATOM 0 HA PHE A 71 3.076 19.374 5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.636 17.365 6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.582 18.644 6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.990 17.595 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.983 19.365 9.136 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.345 17.742 8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.339 19.507 10.990 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.020 18.697 10.652 1.00 0.00 H new TER 1072 PHE A 71