USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 86 GLN : amide:sc= 0.383 K(o=0.79,f=-0.021) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -122:sc= 0.412 (180deg=0) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -110:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= 0.873 K(o=2.1,f=-6.1!) USER MOD Set 3.1: A 11 CYS SG : rot -170:sc= -5.6! USER MOD Set 3.2: A 17 HIS : no HE2:sc= 1.11 K(o=-4.5,f=-15!) USER MOD Set 4.1: A 9 CYS SG : rot -34:sc= 0.969 USER MOD Set 4.2: A 64 SER OG : rot 8:sc= 1.51 USER MOD Single : A 1 MET CE :methyl 139:sc= -0.0774 (180deg=-0.486) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0938) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 150:sc= 1.05 (180deg=0.475) USER MOD Single : A 4 LYS NZ :NH3+ 137:sc= 1.21 (180deg=-0.418) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -23:sc= -0.0403 USER MOD Single : A 20 MET CE :methyl -179:sc= -0.996 (180deg=-0.999) USER MOD Single : A 23 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.017) USER MOD Single : A 34 TYR OH : rot -119:sc= -1.75! USER MOD Single : A 40 THR OG1 : rot -139:sc= -1.61! USER MOD Single : A 41 GLN : amide:sc= -3.71! C(o=-3.7!,f=-6.4!) USER MOD Single : A 47 GLN : amide:sc= -0.558 K(o=-0.56,f=0) USER MOD Single : A 51 THR OG1 : rot -63:sc= 0.806 USER MOD Single : A 53 GLN : amide:sc= 0.284 X(o=0.28,f=-0.1) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0.0526 USER MOD Single : A 63 HIS : no HD1:sc= -0.233 K(o=-0.23,f=-2.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.317 X(o=0.32,f=-0.033) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.75) USER MOD Single : A 97 LYS NZ :NH3+ -146:sc= 0.822 (180deg=0.58) USER MOD Single : A 102 MET CE :methyl -174:sc= -1.2 (180deg=-1.31) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.511 K(o=-0.51,f=-4.3!) USER MOD Single : A 108 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.216 1.683 -1.956 1.00 0.00 N ATOM 2 CA MET A 1 2.996 0.435 -1.181 1.00 0.00 C ATOM 3 C MET A 1 4.147 -0.553 -1.423 1.00 0.00 C ATOM 4 O MET A 1 4.743 -1.078 -0.469 1.00 0.00 O ATOM 5 CB MET A 1 1.632 -0.214 -1.542 1.00 0.00 C ATOM 6 CG MET A 1 0.414 0.664 -1.220 1.00 0.00 C ATOM 7 SD MET A 1 -1.164 -0.115 -1.644 1.00 0.00 S ATOM 8 CE MET A 1 -1.143 -1.587 -0.611 1.00 0.00 C ATOM 0 H1 MET A 1 2.528 2.403 -1.657 1.00 0.00 H new ATOM 0 H2 MET A 1 4.180 2.033 -1.784 1.00 0.00 H new ATOM 0 H3 MET A 1 3.094 1.488 -2.970 1.00 0.00 H new ATOM 0 HA MET A 1 2.974 0.692 -0.122 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.625 -0.450 -2.606 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.538 -1.158 -1.005 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.419 0.903 -0.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.502 1.607 -1.759 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.134 -1.748 -0.187 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.861 -2.450 -1.214 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.421 -1.456 0.195 1.00 0.00 H new ATOM 18 N SER A 2 4.446 -0.802 -2.716 1.00 0.00 N ATOM 19 CA SER A 2 5.540 -1.685 -3.141 1.00 0.00 C ATOM 20 C SER A 2 6.909 -1.076 -2.773 1.00 0.00 C ATOM 21 O SER A 2 7.402 -0.163 -3.453 1.00 0.00 O ATOM 22 CB SER A 2 5.444 -1.943 -4.662 1.00 0.00 C ATOM 23 OG SER A 2 4.203 -2.531 -5.001 1.00 0.00 O ATOM 0 H SER A 2 3.929 -0.391 -3.494 1.00 0.00 H new ATOM 0 HA SER A 2 5.448 -2.637 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.564 -1.004 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.258 -2.597 -4.975 1.00 0.00 H new ATOM 0 HG SER A 2 4.166 -2.683 -5.969 1.00 0.00 H new ATOM 29 N LYS A 3 7.477 -1.562 -1.664 1.00 0.00 N ATOM 30 CA LYS A 3 8.814 -1.155 -1.172 1.00 0.00 C ATOM 31 C LYS A 3 9.920 -1.905 -1.948 1.00 0.00 C ATOM 32 O LYS A 3 9.632 -2.745 -2.826 1.00 0.00 O ATOM 33 CB LYS A 3 8.936 -1.353 0.389 1.00 0.00 C ATOM 34 CG LYS A 3 7.888 -2.285 1.036 1.00 0.00 C ATOM 35 CD LYS A 3 8.014 -2.345 2.580 1.00 0.00 C ATOM 36 CE LYS A 3 7.104 -3.416 3.201 1.00 0.00 C ATOM 37 NZ LYS A 3 7.223 -3.462 4.686 1.00 0.00 N ATOM 0 H LYS A 3 7.023 -2.257 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 3 8.946 -0.089 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.928 -1.746 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.868 -0.375 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.888 -1.941 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.999 -3.289 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.050 -2.552 2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.763 -1.371 3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.068 -3.214 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.359 -4.392 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.319 -3.772 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.973 -4.131 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.460 -2.515 5.045 1.00 0.00 H new ATOM 51 N LYS A 4 11.187 -1.621 -1.611 1.00 0.00 N ATOM 52 CA LYS A 4 12.336 -2.145 -2.371 1.00 0.00 C ATOM 53 C LYS A 4 13.494 -2.464 -1.398 1.00 0.00 C ATOM 54 O LYS A 4 13.757 -1.713 -0.461 1.00 0.00 O ATOM 55 CB LYS A 4 12.746 -1.098 -3.473 1.00 0.00 C ATOM 56 CG LYS A 4 13.383 -1.663 -4.770 1.00 0.00 C ATOM 57 CD LYS A 4 14.783 -2.269 -4.575 1.00 0.00 C ATOM 58 CE LYS A 4 15.357 -2.857 -5.870 1.00 0.00 C ATOM 59 NZ LYS A 4 15.526 -1.830 -6.922 1.00 0.00 N ATOM 0 H LYS A 4 11.444 -1.032 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 4 12.074 -3.073 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.858 -0.530 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.449 -0.393 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.723 -2.427 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.445 -0.864 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.458 -1.501 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.734 -3.050 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.320 -3.322 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.696 -3.643 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.442 -1.966 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.759 -1.918 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.496 -0.884 -6.491 1.00 0.00 H new ATOM 73 N LEU A 5 14.172 -3.585 -1.645 1.00 0.00 N ATOM 74 CA LEU A 5 15.349 -4.024 -0.885 1.00 0.00 C ATOM 75 C LEU A 5 16.458 -4.342 -1.879 1.00 0.00 C ATOM 76 O LEU A 5 16.203 -4.884 -2.956 1.00 0.00 O ATOM 77 CB LEU A 5 15.005 -5.269 -0.013 1.00 0.00 C ATOM 78 CG LEU A 5 16.157 -5.866 0.895 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.609 -6.406 2.229 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.957 -6.990 0.191 1.00 0.00 C ATOM 0 H LEU A 5 13.915 -4.228 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 5 15.676 -3.236 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.169 -5.006 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.657 -6.060 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 5 16.832 -5.032 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.430 -6.807 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.125 -5.598 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.884 -7.196 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.732 -7.360 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.284 -7.806 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.419 -6.596 -0.714 1.00 0.00 H new ATOM 92 N ILE A 6 17.683 -3.970 -1.535 1.00 0.00 N ATOM 93 CA ILE A 6 18.878 -4.377 -2.273 1.00 0.00 C ATOM 94 C ILE A 6 19.879 -4.954 -1.273 1.00 0.00 C ATOM 95 O ILE A 6 19.794 -4.686 -0.065 1.00 0.00 O ATOM 96 CB ILE A 6 19.518 -3.194 -3.094 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.151 -2.112 -2.171 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.477 -2.564 -4.052 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.808 -0.963 -2.906 1.00 0.00 C ATOM 0 H ILE A 6 17.880 -3.374 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 6 18.596 -5.129 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 6 20.327 -3.617 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.376 -1.712 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.893 -2.588 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.941 -1.750 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.118 -3.322 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.638 -2.177 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.221 -0.258 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.609 -1.346 -3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.068 -0.456 -3.525 1.00 0.00 H new ATOM 111 N ALA A 7 20.803 -5.760 -1.774 1.00 0.00 N ATOM 112 CA ALA A 7 21.869 -6.352 -0.964 1.00 0.00 C ATOM 113 C ALA A 7 23.128 -6.503 -1.810 1.00 0.00 C ATOM 114 O ALA A 7 23.092 -6.323 -3.028 1.00 0.00 O ATOM 115 CB ALA A 7 21.425 -7.695 -0.352 1.00 0.00 C ATOM 0 H ALA A 7 20.839 -6.026 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 7 22.092 -5.688 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.238 -8.110 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.554 -7.535 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.168 -8.391 -1.150 1.00 0.00 H new ATOM 121 N LEU A 8 24.241 -6.825 -1.159 1.00 0.00 N ATOM 122 CA LEU A 8 25.528 -6.987 -1.827 1.00 0.00 C ATOM 123 C LEU A 8 26.273 -8.128 -1.137 1.00 0.00 C ATOM 124 O LEU A 8 26.584 -8.037 0.049 1.00 0.00 O ATOM 125 CB LEU A 8 26.328 -5.643 -1.785 1.00 0.00 C ATOM 126 CG LEU A 8 27.518 -5.481 -2.795 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.027 -4.024 -2.829 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.681 -6.444 -2.490 1.00 0.00 C ATOM 0 H LEU A 8 24.276 -6.981 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 8 25.397 -7.238 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.626 -4.827 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.722 -5.517 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 8 27.126 -5.740 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.851 -3.943 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.217 -3.363 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.372 -3.736 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.479 -6.292 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.061 -6.249 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.327 -7.473 -2.550 1.00 0.00 H new ATOM 140 N CYS A 9 26.552 -9.186 -1.900 1.00 0.00 N ATOM 141 CA CYS A 9 27.312 -10.342 -1.440 1.00 0.00 C ATOM 142 C CYS A 9 28.704 -10.336 -2.104 1.00 0.00 C ATOM 143 O CYS A 9 28.811 -10.581 -3.302 1.00 0.00 O ATOM 144 CB CYS A 9 26.527 -11.624 -1.775 1.00 0.00 C ATOM 145 SG CYS A 9 24.852 -11.665 -1.091 1.00 0.00 S ATOM 0 H CYS A 9 26.250 -9.262 -2.871 1.00 0.00 H new ATOM 0 HA CYS A 9 27.456 -10.302 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.468 -11.728 -2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.082 -12.485 -1.401 1.00 0.00 H new ATOM 0 HG CYS A 9 24.836 -11.050 0.054 1.00 0.00 H new ATOM 151 N ALA A 10 29.764 -10.038 -1.321 1.00 0.00 N ATOM 152 CA ALA A 10 31.162 -9.980 -1.841 1.00 0.00 C ATOM 153 C ALA A 10 32.076 -10.941 -1.055 1.00 0.00 C ATOM 154 O ALA A 10 32.150 -10.858 0.174 1.00 0.00 O ATOM 155 CB ALA A 10 31.713 -8.542 -1.798 1.00 0.00 C ATOM 0 H ALA A 10 29.685 -9.833 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 10 31.146 -10.299 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.733 -8.531 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.087 -7.894 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.710 -8.182 -0.769 1.00 0.00 H new ATOM 161 N CYS A 11 32.756 -11.867 -1.768 1.00 0.00 N ATOM 162 CA CYS A 11 33.663 -12.864 -1.149 1.00 0.00 C ATOM 163 C CYS A 11 34.907 -13.127 -2.024 1.00 0.00 C ATOM 164 O CYS A 11 34.810 -13.139 -3.255 1.00 0.00 O ATOM 165 CB CYS A 11 32.924 -14.203 -0.845 1.00 0.00 C ATOM 166 SG CYS A 11 32.316 -14.314 0.846 1.00 0.00 S ATOM 0 H CYS A 11 32.693 -11.945 -2.783 1.00 0.00 H new ATOM 0 HA CYS A 11 33.998 -12.437 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.085 -14.311 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.602 -15.035 -1.035 1.00 0.00 H new ATOM 0 HG CYS A 11 31.911 -15.526 1.083 1.00 0.00 H new ATOM 172 N PRO A 12 36.094 -13.367 -1.376 1.00 0.00 N ATOM 173 CA PRO A 12 37.342 -13.752 -2.073 1.00 0.00 C ATOM 174 C PRO A 12 37.415 -15.271 -2.358 1.00 0.00 C ATOM 175 O PRO A 12 38.256 -15.707 -3.153 1.00 0.00 O ATOM 176 CB PRO A 12 38.428 -13.293 -1.071 1.00 0.00 C ATOM 177 CG PRO A 12 37.805 -13.508 0.274 1.00 0.00 C ATOM 178 CD PRO A 12 36.318 -13.258 0.100 1.00 0.00 C ATOM 0 HA PRO A 12 37.441 -13.302 -3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.343 -13.874 -1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.694 -12.247 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.990 -14.521 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.230 -12.828 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.725 -13.991 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.034 -12.274 0.474 1.00 0.00 H new ATOM 186 N MET A 13 36.534 -16.061 -1.694 1.00 0.00 N ATOM 187 CA MET A 13 36.389 -17.508 -1.947 1.00 0.00 C ATOM 188 C MET A 13 35.976 -17.738 -3.405 1.00 0.00 C ATOM 189 O MET A 13 36.631 -18.477 -4.143 1.00 0.00 O ATOM 190 CB MET A 13 35.328 -18.126 -0.986 1.00 0.00 C ATOM 191 CG MET A 13 34.987 -19.601 -1.259 1.00 0.00 C ATOM 192 SD MET A 13 33.676 -20.228 -0.185 1.00 0.00 S ATOM 193 CE MET A 13 33.336 -21.832 -0.921 1.00 0.00 C ATOM 0 H MET A 13 35.907 -15.709 -0.970 1.00 0.00 H new ATOM 0 HA MET A 13 37.346 -17.996 -1.763 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.690 -18.036 0.038 1.00 0.00 H new ATOM 0 HB3 MET A 13 34.412 -17.538 -1.053 1.00 0.00 H new ATOM 0 HG2 MET A 13 34.682 -19.712 -2.300 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.883 -20.207 -1.123 1.00 0.00 H new ATOM 0 HE1 MET A 13 32.546 -22.330 -0.359 1.00 0.00 H new ATOM 0 HE2 MET A 13 33.016 -21.698 -1.954 1.00 0.00 H new ATOM 0 HE3 MET A 13 34.239 -22.442 -0.897 1.00 0.00 H new ATOM 203 N GLY A 14 34.895 -17.059 -3.803 1.00 0.00 N ATOM 204 CA GLY A 14 34.351 -17.170 -5.145 1.00 0.00 C ATOM 205 C GLY A 14 32.887 -16.773 -5.201 1.00 0.00 C ATOM 206 O GLY A 14 32.265 -16.518 -4.152 1.00 0.00 O ATOM 0 H GLY A 14 34.379 -16.420 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.924 -16.537 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.462 -18.195 -5.497 1.00 0.00 H new ATOM 210 N LEU A 15 32.330 -16.752 -6.427 1.00 0.00 N ATOM 211 CA LEU A 15 30.909 -16.443 -6.655 1.00 0.00 C ATOM 212 C LEU A 15 29.986 -17.538 -6.090 1.00 0.00 C ATOM 213 O LEU A 15 28.820 -17.275 -5.837 1.00 0.00 O ATOM 214 CB LEU A 15 30.612 -16.186 -8.161 1.00 0.00 C ATOM 215 CG LEU A 15 31.090 -14.808 -8.744 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.657 -14.648 -10.223 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.578 -13.618 -7.885 1.00 0.00 C ATOM 0 H LEU A 15 32.851 -16.948 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 15 30.696 -15.522 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.078 -16.982 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.536 -16.267 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 15 32.179 -14.798 -8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.001 -13.685 -10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.094 -15.449 -10.819 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.570 -14.697 -10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.927 -12.680 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.488 -13.625 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.959 -13.713 -6.868 1.00 0.00 H new ATOM 229 N ALA A 16 30.522 -18.750 -5.880 1.00 0.00 N ATOM 230 CA ALA A 16 29.778 -19.852 -5.231 1.00 0.00 C ATOM 231 C ALA A 16 29.274 -19.425 -3.831 1.00 0.00 C ATOM 232 O ALA A 16 28.101 -19.620 -3.489 1.00 0.00 O ATOM 233 CB ALA A 16 30.667 -21.097 -5.127 1.00 0.00 C ATOM 0 H ALA A 16 31.474 -18.997 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 16 28.909 -20.092 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.110 -21.903 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.972 -21.411 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.551 -20.864 -4.534 1.00 0.00 H new ATOM 239 N HIS A 17 30.179 -18.786 -3.061 1.00 0.00 N ATOM 240 CA HIS A 17 29.892 -18.320 -1.696 1.00 0.00 C ATOM 241 C HIS A 17 28.878 -17.161 -1.741 1.00 0.00 C ATOM 242 O HIS A 17 27.897 -17.146 -0.980 1.00 0.00 O ATOM 243 CB HIS A 17 31.214 -17.874 -0.992 1.00 0.00 C ATOM 244 CG HIS A 17 31.155 -17.823 0.523 1.00 0.00 C ATOM 245 ND1 HIS A 17 32.096 -17.172 1.292 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.284 -18.371 1.402 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.805 -17.327 2.571 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.708 -18.048 2.665 1.00 0.00 N ATOM 0 H HIS A 17 31.128 -18.580 -3.372 1.00 0.00 H new ATOM 0 HA HIS A 17 29.458 -19.138 -1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 17 32.011 -18.557 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.488 -16.886 -1.362 1.00 0.00 H new ATOM 0 HD1 HIS A 17 32.894 -16.651 0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.412 -18.957 1.153 1.00 0.00 H new ATOM 0 HE1 HIS A 17 32.372 -16.929 3.400 1.00 0.00 H new ATOM 257 N THR A 18 29.116 -16.219 -2.676 1.00 0.00 N ATOM 258 CA THR A 18 28.294 -15.005 -2.826 1.00 0.00 C ATOM 259 C THR A 18 26.853 -15.350 -3.245 1.00 0.00 C ATOM 260 O THR A 18 25.913 -14.719 -2.785 1.00 0.00 O ATOM 261 CB THR A 18 28.905 -14.006 -3.869 1.00 0.00 C ATOM 262 OG1 THR A 18 28.870 -14.574 -5.177 1.00 0.00 O ATOM 263 CG2 THR A 18 30.352 -13.617 -3.541 1.00 0.00 C ATOM 0 H THR A 18 29.882 -16.280 -3.346 1.00 0.00 H new ATOM 0 HA THR A 18 28.280 -14.524 -1.848 1.00 0.00 H new ATOM 0 HB THR A 18 28.294 -13.104 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.828 -15.551 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.723 -12.924 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.387 -13.139 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.976 -14.511 -3.531 1.00 0.00 H new ATOM 271 N PHE A 19 26.707 -16.367 -4.123 1.00 0.00 N ATOM 272 CA PHE A 19 25.396 -16.794 -4.656 1.00 0.00 C ATOM 273 C PHE A 19 24.577 -17.563 -3.616 1.00 0.00 C ATOM 274 O PHE A 19 23.360 -17.553 -3.687 1.00 0.00 O ATOM 275 CB PHE A 19 25.539 -17.639 -5.955 1.00 0.00 C ATOM 276 CG PHE A 19 25.838 -16.827 -7.219 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.105 -15.682 -7.518 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.837 -17.213 -8.110 1.00 0.00 C ATOM 279 CE1 PHE A 19 25.367 -14.952 -8.658 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.095 -16.483 -9.248 1.00 0.00 C ATOM 281 CZ PHE A 19 26.363 -15.355 -9.522 1.00 0.00 C ATOM 0 H PHE A 19 27.492 -16.912 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 19 24.859 -15.879 -4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.336 -18.368 -5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.618 -18.200 -6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 19 24.321 -15.361 -6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.419 -18.100 -7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 19 24.792 -14.064 -8.874 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.874 -16.798 -9.926 1.00 0.00 H new ATOM 0 HZ PHE A 19 26.567 -14.783 -10.415 1.00 0.00 H new ATOM 291 N MET A 20 25.241 -18.247 -2.670 1.00 0.00 N ATOM 292 CA MET A 20 24.528 -18.907 -1.549 1.00 0.00 C ATOM 293 C MET A 20 23.944 -17.855 -0.588 1.00 0.00 C ATOM 294 O MET A 20 22.839 -18.027 -0.058 1.00 0.00 O ATOM 295 CB MET A 20 25.447 -19.903 -0.801 1.00 0.00 C ATOM 296 CG MET A 20 25.863 -21.125 -1.640 1.00 0.00 C ATOM 297 SD MET A 20 26.744 -22.382 -0.684 1.00 0.00 S ATOM 298 CE MET A 20 28.130 -21.441 -0.059 1.00 0.00 C ATOM 0 H MET A 20 26.255 -18.360 -2.652 1.00 0.00 H new ATOM 0 HA MET A 20 23.702 -19.483 -1.967 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.344 -19.378 -0.474 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.935 -20.249 0.097 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.973 -21.573 -2.083 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.497 -20.794 -2.463 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.772 -22.091 0.535 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.699 -21.033 -0.894 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.764 -20.624 0.563 1.00 0.00 H new ATOM 308 N ALA A 21 24.696 -16.759 -0.397 1.00 0.00 N ATOM 309 CA ALA A 21 24.243 -15.596 0.391 1.00 0.00 C ATOM 310 C ALA A 21 23.146 -14.824 -0.352 1.00 0.00 C ATOM 311 O ALA A 21 22.172 -14.382 0.255 1.00 0.00 O ATOM 312 CB ALA A 21 25.419 -14.672 0.693 1.00 0.00 C ATOM 0 H ALA A 21 25.634 -16.652 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 21 23.828 -15.963 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 21 25.071 -13.818 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.172 -15.216 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.855 -14.320 -0.242 1.00 0.00 H new ATOM 318 N ALA A 22 23.327 -14.690 -1.679 1.00 0.00 N ATOM 319 CA ALA A 22 22.405 -13.958 -2.558 1.00 0.00 C ATOM 320 C ALA A 22 21.069 -14.685 -2.647 1.00 0.00 C ATOM 321 O ALA A 22 20.023 -14.064 -2.600 1.00 0.00 O ATOM 322 CB ALA A 22 23.012 -13.783 -3.957 1.00 0.00 C ATOM 0 H ALA A 22 24.125 -15.091 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 22 22.237 -12.969 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.313 -13.239 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.945 -13.224 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.210 -14.762 -4.393 1.00 0.00 H new ATOM 328 N GLN A 23 21.137 -16.016 -2.778 1.00 0.00 N ATOM 329 CA GLN A 23 19.955 -16.884 -2.848 1.00 0.00 C ATOM 330 C GLN A 23 19.153 -16.762 -1.548 1.00 0.00 C ATOM 331 O GLN A 23 17.946 -16.541 -1.576 1.00 0.00 O ATOM 332 CB GLN A 23 20.379 -18.362 -3.097 1.00 0.00 C ATOM 333 CG GLN A 23 19.210 -19.359 -3.228 1.00 0.00 C ATOM 334 CD GLN A 23 18.258 -19.068 -4.397 1.00 0.00 C ATOM 335 OE1 GLN A 23 17.061 -19.321 -4.302 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.777 -18.584 -5.522 1.00 0.00 N ATOM 0 H GLN A 23 22.019 -16.524 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 23 19.328 -16.569 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.978 -18.405 -4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.022 -18.683 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.616 -20.363 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.639 -19.355 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.775 -18.381 -5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.177 -18.416 -6.329 1.00 0.00 H new ATOM 345 N ALA A 24 19.872 -16.845 -0.420 1.00 0.00 N ATOM 346 CA ALA A 24 19.280 -16.798 0.922 1.00 0.00 C ATOM 347 C ALA A 24 18.561 -15.448 1.185 1.00 0.00 C ATOM 348 O ALA A 24 17.376 -15.434 1.553 1.00 0.00 O ATOM 349 CB ALA A 24 20.377 -17.078 1.964 1.00 0.00 C ATOM 0 H ALA A 24 20.887 -16.947 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 24 18.513 -17.568 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.946 -17.045 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.805 -18.065 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.159 -16.323 1.881 1.00 0.00 H new ATOM 355 N LEU A 25 19.284 -14.326 0.965 1.00 0.00 N ATOM 356 CA LEU A 25 18.757 -12.954 1.183 1.00 0.00 C ATOM 357 C LEU A 25 17.601 -12.635 0.230 1.00 0.00 C ATOM 358 O LEU A 25 16.698 -11.866 0.579 1.00 0.00 O ATOM 359 CB LEU A 25 19.869 -11.887 0.997 1.00 0.00 C ATOM 360 CG LEU A 25 20.994 -11.869 2.070 1.00 0.00 C ATOM 361 CD1 LEU A 25 22.040 -10.776 1.764 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.415 -11.690 3.492 1.00 0.00 C ATOM 0 H LEU A 25 20.248 -14.343 0.632 1.00 0.00 H new ATOM 0 HA LEU A 25 18.392 -12.922 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.330 -12.040 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.399 -10.904 0.977 1.00 0.00 H new ATOM 0 HG LEU A 25 21.495 -12.836 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.814 -10.788 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.492 -10.967 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.554 -9.800 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.228 -11.682 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.870 -10.748 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.738 -12.514 3.715 1.00 0.00 H new ATOM 374 N GLU A 26 17.665 -13.207 -0.984 1.00 0.00 N ATOM 375 CA GLU A 26 16.648 -12.990 -2.022 1.00 0.00 C ATOM 376 C GLU A 26 15.320 -13.583 -1.585 1.00 0.00 C ATOM 377 O GLU A 26 14.329 -12.860 -1.497 1.00 0.00 O ATOM 378 CB GLU A 26 17.095 -13.581 -3.381 1.00 0.00 C ATOM 379 CG GLU A 26 16.090 -13.391 -4.534 1.00 0.00 C ATOM 380 CD GLU A 26 16.702 -13.659 -5.910 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.229 -12.714 -6.525 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.682 -14.810 -6.379 1.00 0.00 O ATOM 0 H GLU A 26 18.420 -13.830 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 26 16.524 -11.916 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.043 -13.124 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.282 -14.647 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.242 -14.059 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.702 -12.373 -4.507 1.00 0.00 H new ATOM 389 N GLU A 27 15.342 -14.887 -1.257 1.00 0.00 N ATOM 390 CA GLU A 27 14.154 -15.636 -0.815 1.00 0.00 C ATOM 391 C GLU A 27 13.516 -14.951 0.397 1.00 0.00 C ATOM 392 O GLU A 27 12.316 -14.735 0.416 1.00 0.00 O ATOM 393 CB GLU A 27 14.526 -17.107 -0.486 1.00 0.00 C ATOM 394 CG GLU A 27 15.137 -17.896 -1.663 1.00 0.00 C ATOM 395 CD GLU A 27 14.263 -17.904 -2.930 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.317 -18.721 -3.008 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.503 -17.087 -3.851 1.00 0.00 O ATOM 0 H GLU A 27 16.190 -15.453 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 27 13.427 -15.646 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.234 -17.112 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.631 -17.626 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.110 -17.469 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.310 -18.925 -1.347 1.00 0.00 H new ATOM 404 N ALA A 28 14.365 -14.542 1.349 1.00 0.00 N ATOM 405 CA ALA A 28 13.956 -13.820 2.570 1.00 0.00 C ATOM 406 C ALA A 28 13.189 -12.518 2.234 1.00 0.00 C ATOM 407 O ALA A 28 12.090 -12.280 2.748 1.00 0.00 O ATOM 408 CB ALA A 28 15.200 -13.514 3.410 1.00 0.00 C ATOM 0 H ALA A 28 15.371 -14.704 1.296 1.00 0.00 H new ATOM 0 HA ALA A 28 13.275 -14.453 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.906 -12.981 4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.693 -14.447 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.887 -12.896 2.831 1.00 0.00 H new ATOM 414 N ALA A 29 13.780 -11.706 1.349 1.00 0.00 N ATOM 415 CA ALA A 29 13.192 -10.433 0.886 1.00 0.00 C ATOM 416 C ALA A 29 11.917 -10.629 0.028 1.00 0.00 C ATOM 417 O ALA A 29 11.074 -9.723 -0.049 1.00 0.00 O ATOM 418 CB ALA A 29 14.248 -9.628 0.124 1.00 0.00 C ATOM 0 H ALA A 29 14.686 -11.911 0.928 1.00 0.00 H new ATOM 0 HA ALA A 29 12.875 -9.879 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.813 -8.689 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.091 -9.419 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.592 -10.202 -0.736 1.00 0.00 H new ATOM 424 N VAL A 30 11.759 -11.819 -0.584 1.00 0.00 N ATOM 425 CA VAL A 30 10.571 -12.141 -1.409 1.00 0.00 C ATOM 426 C VAL A 30 9.379 -12.430 -0.481 1.00 0.00 C ATOM 427 O VAL A 30 8.252 -11.990 -0.724 1.00 0.00 O ATOM 428 CB VAL A 30 10.849 -13.370 -2.359 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.558 -13.898 -3.039 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.907 -13.009 -3.428 1.00 0.00 C ATOM 0 H VAL A 30 12.439 -12.577 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 30 10.340 -11.287 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 30 11.236 -14.172 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.805 -14.743 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.849 -14.218 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.112 -13.104 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.083 -13.871 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.546 -12.175 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.838 -12.727 -2.937 1.00 0.00 H new ATOM 440 N GLU A 31 9.677 -13.142 0.615 1.00 0.00 N ATOM 441 CA GLU A 31 8.694 -13.491 1.660 1.00 0.00 C ATOM 442 C GLU A 31 8.330 -12.246 2.498 1.00 0.00 C ATOM 443 O GLU A 31 7.299 -12.216 3.178 1.00 0.00 O ATOM 444 CB GLU A 31 9.285 -14.613 2.552 1.00 0.00 C ATOM 445 CG GLU A 31 9.852 -15.809 1.754 1.00 0.00 C ATOM 446 CD GLU A 31 8.794 -16.686 1.075 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.305 -17.640 1.719 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.461 -16.441 -0.108 1.00 0.00 O ATOM 0 H GLU A 31 10.614 -13.497 0.806 1.00 0.00 H new ATOM 0 HA GLU A 31 7.776 -13.852 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.077 -14.193 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.510 -14.974 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.533 -15.430 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.442 -16.431 2.428 1.00 0.00 H new ATOM 455 N ALA A 32 9.197 -11.219 2.422 1.00 0.00 N ATOM 456 CA ALA A 32 8.972 -9.903 3.037 1.00 0.00 C ATOM 457 C ALA A 32 8.052 -9.025 2.162 1.00 0.00 C ATOM 458 O ALA A 32 7.586 -7.967 2.602 1.00 0.00 O ATOM 459 CB ALA A 32 10.321 -9.240 3.274 1.00 0.00 C ATOM 0 H ALA A 32 10.085 -11.284 1.924 1.00 0.00 H new ATOM 0 HA ALA A 32 8.461 -10.029 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.170 -8.262 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.920 -9.862 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.840 -9.121 2.323 1.00 0.00 H new ATOM 465 N GLY A 33 7.822 -9.467 0.908 1.00 0.00 N ATOM 466 CA GLY A 33 6.780 -8.906 0.041 1.00 0.00 C ATOM 467 C GLY A 33 7.180 -7.636 -0.697 1.00 0.00 C ATOM 468 O GLY A 33 6.309 -6.842 -1.079 1.00 0.00 O ATOM 0 H GLY A 33 8.355 -10.221 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.492 -9.660 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.898 -8.696 0.646 1.00 0.00 H new ATOM 472 N TYR A 34 8.488 -7.426 -0.888 1.00 0.00 N ATOM 473 CA TYR A 34 9.019 -6.322 -1.709 1.00 0.00 C ATOM 474 C TYR A 34 10.044 -6.837 -2.732 1.00 0.00 C ATOM 475 O TYR A 34 10.372 -8.034 -2.758 1.00 0.00 O ATOM 476 CB TYR A 34 9.615 -5.195 -0.816 1.00 0.00 C ATOM 477 CG TYR A 34 10.450 -5.614 0.408 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.466 -6.564 0.344 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.219 -5.015 1.642 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.200 -6.884 1.466 1.00 0.00 C ATOM 481 CE2 TYR A 34 10.946 -5.334 2.749 1.00 0.00 C ATOM 482 CZ TYR A 34 11.929 -6.265 2.664 1.00 0.00 C ATOM 483 OH TYR A 34 12.645 -6.586 3.788 1.00 0.00 O ATOM 0 H TYR A 34 9.212 -8.016 -0.478 1.00 0.00 H new ATOM 0 HA TYR A 34 8.189 -5.889 -2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.240 -4.563 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.790 -4.576 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.681 -7.055 -0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.438 -4.273 1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.988 -7.620 1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.740 -4.847 3.691 1.00 0.00 H new ATOM 0 HH TYR A 34 12.040 -6.944 4.470 1.00 0.00 H new ATOM 493 N GLU A 35 10.540 -5.906 -3.575 1.00 0.00 N ATOM 494 CA GLU A 35 11.554 -6.215 -4.608 1.00 0.00 C ATOM 495 C GLU A 35 12.930 -6.452 -3.948 1.00 0.00 C ATOM 496 O GLU A 35 13.193 -5.940 -2.860 1.00 0.00 O ATOM 497 CB GLU A 35 11.615 -5.054 -5.647 1.00 0.00 C ATOM 498 CG GLU A 35 12.583 -5.270 -6.840 1.00 0.00 C ATOM 499 CD GLU A 35 12.283 -6.540 -7.665 1.00 0.00 C ATOM 500 OE1 GLU A 35 11.351 -6.517 -8.492 1.00 0.00 O ATOM 501 OE2 GLU A 35 12.968 -7.570 -7.485 1.00 0.00 O ATOM 0 H GLU A 35 10.253 -4.927 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 35 11.274 -7.129 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.612 -4.891 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.906 -4.141 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.534 -4.402 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.604 -5.327 -6.462 1.00 0.00 H new ATOM 508 N VAL A 36 13.786 -7.246 -4.610 1.00 0.00 N ATOM 509 CA VAL A 36 15.132 -7.564 -4.125 1.00 0.00 C ATOM 510 C VAL A 36 16.138 -7.606 -5.298 1.00 0.00 C ATOM 511 O VAL A 36 15.898 -8.265 -6.315 1.00 0.00 O ATOM 512 CB VAL A 36 15.141 -8.904 -3.307 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.562 -10.089 -4.108 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.548 -9.235 -2.766 1.00 0.00 C ATOM 0 H VAL A 36 13.559 -7.686 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 36 15.445 -6.771 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 36 14.483 -8.744 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.592 -10.991 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.530 -9.872 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.155 -10.243 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.512 -10.169 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.243 -9.338 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.884 -8.432 -2.110 1.00 0.00 H new ATOM 524 N LYS A 37 17.259 -6.874 -5.146 1.00 0.00 N ATOM 525 CA LYS A 37 18.332 -6.809 -6.155 1.00 0.00 C ATOM 526 C LYS A 37 19.704 -6.930 -5.459 1.00 0.00 C ATOM 527 O LYS A 37 20.103 -6.036 -4.720 1.00 0.00 O ATOM 528 CB LYS A 37 18.240 -5.483 -6.955 1.00 0.00 C ATOM 529 CG LYS A 37 19.227 -5.400 -8.138 1.00 0.00 C ATOM 530 CD LYS A 37 18.859 -6.331 -9.299 1.00 0.00 C ATOM 531 CE LYS A 37 19.966 -6.400 -10.349 1.00 0.00 C ATOM 532 NZ LYS A 37 19.564 -7.199 -11.539 1.00 0.00 N ATOM 0 H LYS A 37 17.445 -6.310 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 37 18.217 -7.636 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.224 -5.367 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.426 -4.648 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.262 -4.373 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.228 -5.648 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.662 -7.331 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.938 -5.982 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.229 -5.390 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.859 -6.838 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.101 -8.090 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.547 -7.409 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.763 -6.657 -12.404 1.00 0.00 H new ATOM 546 N ILE A 38 20.413 -8.059 -5.677 1.00 0.00 N ATOM 547 CA ILE A 38 21.667 -8.378 -4.951 1.00 0.00 C ATOM 548 C ILE A 38 22.898 -8.445 -5.884 1.00 0.00 C ATOM 549 O ILE A 38 23.008 -9.351 -6.717 1.00 0.00 O ATOM 550 CB ILE A 38 21.499 -9.737 -4.201 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.201 -9.699 -3.337 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.747 -10.068 -3.333 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.774 -11.018 -2.767 1.00 0.00 C ATOM 0 H ILE A 38 20.138 -8.770 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 38 21.848 -7.570 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 38 21.408 -10.534 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.351 -8.998 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.389 -9.305 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.595 -11.021 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.628 -10.134 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.894 -9.282 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.863 -10.884 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.585 -11.721 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.563 -11.409 -2.124 1.00 0.00 H new ATOM 565 N GLU A 39 23.822 -7.498 -5.701 1.00 0.00 N ATOM 566 CA GLU A 39 25.099 -7.441 -6.436 1.00 0.00 C ATOM 567 C GLU A 39 26.107 -8.443 -5.826 1.00 0.00 C ATOM 568 O GLU A 39 26.471 -8.326 -4.655 1.00 0.00 O ATOM 569 CB GLU A 39 25.643 -5.995 -6.366 1.00 0.00 C ATOM 570 CG GLU A 39 26.996 -5.765 -7.055 1.00 0.00 C ATOM 571 CD GLU A 39 27.474 -4.301 -6.985 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.849 -3.437 -7.629 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.487 -4.016 -6.319 1.00 0.00 O ATOM 0 H GLU A 39 23.708 -6.737 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 39 24.946 -7.717 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.908 -5.327 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.735 -5.710 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.745 -6.407 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.920 -6.066 -8.100 1.00 0.00 H new ATOM 580 N THR A 40 26.535 -9.435 -6.625 1.00 0.00 N ATOM 581 CA THR A 40 27.486 -10.469 -6.188 1.00 0.00 C ATOM 582 C THR A 40 28.889 -10.190 -6.756 1.00 0.00 C ATOM 583 O THR A 40 29.144 -10.417 -7.939 1.00 0.00 O ATOM 584 CB THR A 40 26.980 -11.892 -6.614 1.00 0.00 C ATOM 585 OG1 THR A 40 26.420 -11.839 -7.936 1.00 0.00 O ATOM 586 CG2 THR A 40 25.937 -12.441 -5.635 1.00 0.00 C ATOM 0 H THR A 40 26.231 -9.542 -7.593 1.00 0.00 H new ATOM 0 HA THR A 40 27.552 -10.443 -5.100 1.00 0.00 H new ATOM 0 HB THR A 40 27.838 -12.564 -6.603 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.608 -12.387 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.612 -13.428 -5.965 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.376 -12.518 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.080 -11.769 -5.602 1.00 0.00 H new ATOM 594 N GLN A 41 29.797 -9.683 -5.904 1.00 0.00 N ATOM 595 CA GLN A 41 31.177 -9.357 -6.307 1.00 0.00 C ATOM 596 C GLN A 41 32.118 -10.506 -5.897 1.00 0.00 C ATOM 597 O GLN A 41 32.059 -10.988 -4.760 1.00 0.00 O ATOM 598 CB GLN A 41 31.633 -8.024 -5.655 1.00 0.00 C ATOM 599 CG GLN A 41 30.592 -6.895 -5.728 1.00 0.00 C ATOM 600 CD GLN A 41 31.129 -5.553 -5.227 1.00 0.00 C ATOM 601 OE1 GLN A 41 31.165 -5.300 -4.048 1.00 0.00 O ATOM 602 NE2 GLN A 41 31.499 -4.669 -6.120 1.00 0.00 N ATOM 0 H GLN A 41 29.597 -9.489 -4.923 1.00 0.00 H new ATOM 0 HA GLN A 41 31.213 -9.235 -7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.878 -8.210 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.549 -7.690 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.257 -6.784 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.719 -7.174 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 41 31.462 -4.901 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.824 -3.749 -5.823 1.00 0.00 H new ATOM 611 N GLY A 42 32.967 -10.939 -6.830 1.00 0.00 N ATOM 612 CA GLY A 42 33.958 -11.984 -6.575 1.00 0.00 C ATOM 613 C GLY A 42 35.211 -11.776 -7.405 1.00 0.00 C ATOM 614 O GLY A 42 35.286 -10.823 -8.197 1.00 0.00 O ATOM 0 H GLY A 42 32.987 -10.575 -7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.218 -11.990 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.527 -12.959 -6.803 1.00 0.00 H new ATOM 618 N ALA A 43 36.192 -12.682 -7.245 1.00 0.00 N ATOM 619 CA ALA A 43 37.466 -12.650 -8.003 1.00 0.00 C ATOM 620 C ALA A 43 37.225 -12.851 -9.519 1.00 0.00 C ATOM 621 O ALA A 43 38.037 -12.430 -10.351 1.00 0.00 O ATOM 622 CB ALA A 43 38.421 -13.712 -7.444 1.00 0.00 C ATOM 0 H ALA A 43 36.129 -13.459 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 43 37.923 -11.668 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.358 -13.689 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.619 -13.506 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.966 -14.698 -7.541 1.00 0.00 H new ATOM 628 N ASP A 44 36.089 -13.491 -9.837 1.00 0.00 N ATOM 629 CA ASP A 44 35.589 -13.685 -11.208 1.00 0.00 C ATOM 630 C ASP A 44 35.172 -12.338 -11.815 1.00 0.00 C ATOM 631 O ASP A 44 35.500 -12.024 -12.963 1.00 0.00 O ATOM 632 CB ASP A 44 34.374 -14.651 -11.166 1.00 0.00 C ATOM 633 CG ASP A 44 33.777 -14.981 -12.547 1.00 0.00 C ATOM 634 OD1 ASP A 44 32.871 -14.259 -13.016 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.204 -15.981 -13.159 1.00 0.00 O ATOM 0 H ASP A 44 35.477 -13.898 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 44 36.377 -14.112 -11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 44 34.680 -15.580 -10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 44 33.596 -14.210 -10.543 1.00 0.00 H new ATOM 640 N GLY A 45 34.460 -11.553 -11.002 1.00 0.00 N ATOM 641 CA GLY A 45 33.886 -10.282 -11.420 1.00 0.00 C ATOM 642 C GLY A 45 32.619 -9.962 -10.645 1.00 0.00 C ATOM 643 O GLY A 45 32.230 -10.699 -9.726 1.00 0.00 O ATOM 0 H GLY A 45 34.267 -11.788 -10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.615 -9.486 -11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.663 -10.315 -12.486 1.00 0.00 H new ATOM 647 N ILE A 46 31.975 -8.851 -11.027 1.00 0.00 N ATOM 648 CA ILE A 46 30.740 -8.366 -10.394 1.00 0.00 C ATOM 649 C ILE A 46 29.522 -8.789 -11.236 1.00 0.00 C ATOM 650 O ILE A 46 29.340 -8.326 -12.372 1.00 0.00 O ATOM 651 CB ILE A 46 30.777 -6.801 -10.224 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.038 -6.383 -9.393 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.476 -6.277 -9.564 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.356 -4.904 -9.410 1.00 0.00 C ATOM 0 H ILE A 46 32.299 -8.258 -11.791 1.00 0.00 H new ATOM 0 HA ILE A 46 30.657 -8.810 -9.402 1.00 0.00 H new ATOM 0 HB ILE A 46 30.845 -6.347 -11.213 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.893 -6.696 -8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.902 -6.929 -9.773 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.532 -5.193 -9.460 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.621 -6.538 -10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.359 -6.730 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.244 -4.716 -8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.539 -4.583 -10.435 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.514 -4.346 -9.000 1.00 0.00 H new ATOM 666 N GLN A 47 28.725 -9.698 -10.673 1.00 0.00 N ATOM 667 CA GLN A 47 27.493 -10.202 -11.285 1.00 0.00 C ATOM 668 C GLN A 47 26.277 -9.428 -10.741 1.00 0.00 C ATOM 669 O GLN A 47 26.298 -8.970 -9.592 1.00 0.00 O ATOM 670 CB GLN A 47 27.344 -11.714 -10.974 1.00 0.00 C ATOM 671 CG GLN A 47 26.146 -12.421 -11.654 1.00 0.00 C ATOM 672 CD GLN A 47 26.251 -12.539 -13.176 1.00 0.00 C ATOM 673 OE1 GLN A 47 25.241 -12.518 -13.878 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.452 -12.725 -13.700 1.00 0.00 N ATOM 0 H GLN A 47 28.921 -10.113 -9.762 1.00 0.00 H new ATOM 0 HA GLN A 47 27.542 -10.059 -12.364 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.261 -12.221 -11.275 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.251 -11.837 -9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.045 -13.421 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.234 -11.878 -11.408 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.275 -12.738 -13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.555 -12.855 -14.706 1.00 0.00 H new ATOM 683 N ASN A 48 25.260 -9.290 -11.608 1.00 0.00 N ATOM 684 CA ASN A 48 23.929 -8.707 -11.313 1.00 0.00 C ATOM 685 C ASN A 48 23.971 -7.168 -11.320 1.00 0.00 C ATOM 686 O ASN A 48 23.185 -6.536 -12.036 1.00 0.00 O ATOM 687 CB ASN A 48 23.297 -9.263 -9.993 1.00 0.00 C ATOM 688 CG ASN A 48 21.770 -9.310 -10.036 1.00 0.00 C ATOM 689 OD1 ASN A 48 21.182 -9.451 -11.102 1.00 0.00 O ATOM 690 ND2 ASN A 48 21.106 -9.187 -8.891 1.00 0.00 N ATOM 0 H ASN A 48 25.341 -9.594 -12.578 1.00 0.00 H new ATOM 0 HA ASN A 48 23.270 -9.025 -12.121 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.681 -10.266 -9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.612 -8.641 -9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 48 20.086 -9.209 -8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.616 -9.071 -8.016 1.00 0.00 H new ATOM 697 N ARG A 49 24.893 -6.591 -10.514 1.00 0.00 N ATOM 698 CA ARG A 49 25.152 -5.146 -10.415 1.00 0.00 C ATOM 699 C ARG A 49 23.945 -4.352 -9.834 1.00 0.00 C ATOM 700 O ARG A 49 22.776 -4.688 -10.044 1.00 0.00 O ATOM 701 CB ARG A 49 25.637 -4.588 -11.794 1.00 0.00 C ATOM 702 CG ARG A 49 25.841 -3.063 -11.867 1.00 0.00 C ATOM 703 CD ARG A 49 26.922 -2.532 -10.910 1.00 0.00 C ATOM 704 NE ARG A 49 28.287 -2.735 -11.406 1.00 0.00 N ATOM 705 CZ ARG A 49 29.368 -2.813 -10.616 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.232 -2.967 -9.312 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.576 -2.785 -11.142 1.00 0.00 N ATOM 0 H ARG A 49 25.492 -7.140 -9.898 1.00 0.00 H new ATOM 0 HA ARG A 49 25.956 -5.001 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.578 -5.074 -12.050 1.00 0.00 H new ATOM 0 HB3 ARG A 49 24.912 -4.875 -12.556 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.108 -2.791 -12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 49 24.896 -2.569 -11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 49 26.758 -1.467 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.817 -3.026 -9.944 1.00 0.00 H new ATOM 0 HE ARG A 49 28.423 -2.822 -12.413 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.301 -3.027 -8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.058 -3.026 -8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.691 -2.704 -12.152 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.396 -2.844 -10.539 1.00 0.00 H new ATOM 721 N LEU A 50 24.267 -3.312 -9.058 1.00 0.00 N ATOM 722 CA LEU A 50 23.296 -2.350 -8.512 1.00 0.00 C ATOM 723 C LEU A 50 23.505 -0.980 -9.155 1.00 0.00 C ATOM 724 O LEU A 50 24.633 -0.473 -9.219 1.00 0.00 O ATOM 725 CB LEU A 50 23.432 -2.278 -6.968 1.00 0.00 C ATOM 726 CG LEU A 50 22.796 -3.489 -6.217 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.268 -3.604 -4.757 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.276 -3.392 -6.285 1.00 0.00 C ATOM 0 H LEU A 50 25.228 -3.109 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 50 22.284 -2.681 -8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.489 -2.218 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.965 -1.359 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 50 23.131 -4.397 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.792 -4.464 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.350 -3.731 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.997 -2.698 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.834 -4.239 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.949 -2.464 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.957 -3.404 -7.327 1.00 0.00 H new ATOM 740 N THR A 51 22.405 -0.399 -9.645 1.00 0.00 N ATOM 741 CA THR A 51 22.417 0.907 -10.303 1.00 0.00 C ATOM 742 C THR A 51 22.049 2.003 -9.296 1.00 0.00 C ATOM 743 O THR A 51 21.507 1.707 -8.229 1.00 0.00 O ATOM 744 CB THR A 51 21.414 0.940 -11.504 1.00 0.00 C ATOM 745 OG1 THR A 51 20.053 0.864 -11.032 1.00 0.00 O ATOM 746 CG2 THR A 51 21.670 -0.200 -12.506 1.00 0.00 C ATOM 0 H THR A 51 21.479 -0.825 -9.595 1.00 0.00 H new ATOM 0 HA THR A 51 23.422 1.085 -10.687 1.00 0.00 H new ATOM 0 HB THR A 51 21.573 1.887 -12.020 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.910 0.005 -10.583 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.950 -0.136 -13.322 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.680 -0.113 -12.906 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.562 -1.160 -12.001 1.00 0.00 H new ATOM 754 N ALA A 52 22.312 3.270 -9.668 1.00 0.00 N ATOM 755 CA ALA A 52 21.968 4.448 -8.847 1.00 0.00 C ATOM 756 C ALA A 52 20.460 4.483 -8.520 1.00 0.00 C ATOM 757 O ALA A 52 20.063 4.973 -7.458 1.00 0.00 O ATOM 758 CB ALA A 52 22.393 5.728 -9.576 1.00 0.00 C ATOM 0 H ALA A 52 22.770 3.507 -10.548 1.00 0.00 H new ATOM 0 HA ALA A 52 22.506 4.379 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.138 6.595 -8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.469 5.709 -9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.875 5.791 -10.533 1.00 0.00 H new ATOM 764 N GLN A 53 19.643 3.934 -9.448 1.00 0.00 N ATOM 765 CA GLN A 53 18.184 3.812 -9.283 1.00 0.00 C ATOM 766 C GLN A 53 17.837 2.804 -8.167 1.00 0.00 C ATOM 767 O GLN A 53 17.006 3.099 -7.306 1.00 0.00 O ATOM 768 CB GLN A 53 17.522 3.368 -10.613 1.00 0.00 C ATOM 769 CG GLN A 53 15.982 3.335 -10.559 1.00 0.00 C ATOM 770 CD GLN A 53 15.315 2.691 -11.770 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.831 2.731 -12.887 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.167 2.075 -11.547 1.00 0.00 N ATOM 0 H GLN A 53 19.983 3.563 -10.335 1.00 0.00 H new ATOM 0 HA GLN A 53 17.797 4.791 -9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.834 4.046 -11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.889 2.376 -10.877 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.675 2.796 -9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.614 4.356 -10.459 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.769 2.062 -10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.679 1.612 -12.314 1.00 0.00 H new ATOM 781 N ASP A 54 18.492 1.616 -8.204 1.00 0.00 N ATOM 782 CA ASP A 54 18.300 0.545 -7.193 1.00 0.00 C ATOM 783 C ASP A 54 18.581 1.069 -5.782 1.00 0.00 C ATOM 784 O ASP A 54 17.817 0.812 -4.855 1.00 0.00 O ATOM 785 CB ASP A 54 19.214 -0.688 -7.463 1.00 0.00 C ATOM 786 CG ASP A 54 18.797 -1.524 -8.682 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.697 -2.106 -8.661 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.564 -1.623 -9.650 1.00 0.00 O ATOM 0 H ASP A 54 19.165 1.374 -8.932 1.00 0.00 H new ATOM 0 HA ASP A 54 17.259 0.230 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.238 -0.343 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.213 -1.327 -6.580 1.00 0.00 H new ATOM 793 N ILE A 55 19.684 1.824 -5.670 1.00 0.00 N ATOM 794 CA ILE A 55 20.196 2.362 -4.390 1.00 0.00 C ATOM 795 C ILE A 55 19.302 3.509 -3.866 1.00 0.00 C ATOM 796 O ILE A 55 19.079 3.629 -2.655 1.00 0.00 O ATOM 797 CB ILE A 55 21.683 2.861 -4.561 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.544 1.765 -5.266 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.317 3.262 -3.203 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.920 2.217 -5.710 1.00 0.00 C ATOM 0 H ILE A 55 20.256 2.084 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 55 20.175 1.557 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 55 21.663 3.753 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.658 0.921 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.999 1.401 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.341 3.600 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.736 4.067 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.320 2.401 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.439 1.386 -6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.822 3.039 -6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.490 2.551 -4.843 1.00 0.00 H new ATOM 812 N ALA A 56 18.787 4.330 -4.802 1.00 0.00 N ATOM 813 CA ALA A 56 17.934 5.496 -4.482 1.00 0.00 C ATOM 814 C ALA A 56 16.551 5.049 -3.974 1.00 0.00 C ATOM 815 O ALA A 56 16.035 5.588 -2.986 1.00 0.00 O ATOM 816 CB ALA A 56 17.786 6.406 -5.716 1.00 0.00 C ATOM 0 H ALA A 56 18.949 4.205 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 56 18.418 6.061 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.156 7.259 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.769 6.760 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.328 5.844 -6.530 1.00 0.00 H new ATOM 822 N GLU A 57 15.966 4.046 -4.662 1.00 0.00 N ATOM 823 CA GLU A 57 14.611 3.532 -4.356 1.00 0.00 C ATOM 824 C GLU A 57 14.639 2.448 -3.269 1.00 0.00 C ATOM 825 O GLU A 57 13.578 2.020 -2.794 1.00 0.00 O ATOM 826 CB GLU A 57 13.920 2.994 -5.638 1.00 0.00 C ATOM 827 CG GLU A 57 13.791 4.046 -6.755 1.00 0.00 C ATOM 828 CD GLU A 57 12.823 3.620 -7.868 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.200 2.785 -8.711 1.00 0.00 O ATOM 830 OE2 GLU A 57 11.674 4.112 -7.903 1.00 0.00 O ATOM 0 H GLU A 57 16.417 3.570 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 57 14.031 4.371 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.486 2.142 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.927 2.627 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.449 4.987 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.774 4.232 -7.187 1.00 0.00 H new ATOM 837 N ALA A 58 15.855 2.014 -2.891 1.00 0.00 N ATOM 838 CA ALA A 58 16.054 1.000 -1.841 1.00 0.00 C ATOM 839 C ALA A 58 15.578 1.519 -0.475 1.00 0.00 C ATOM 840 O ALA A 58 16.196 2.418 0.107 1.00 0.00 O ATOM 841 CB ALA A 58 17.528 0.574 -1.759 1.00 0.00 C ATOM 0 H ALA A 58 16.724 2.355 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 58 15.455 0.129 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.647 -0.175 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.839 0.152 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.145 1.442 -1.528 1.00 0.00 H new ATOM 847 N THR A 59 14.452 0.963 -0.006 1.00 0.00 N ATOM 848 CA THR A 59 13.985 1.136 1.374 1.00 0.00 C ATOM 849 C THR A 59 15.027 0.543 2.347 1.00 0.00 C ATOM 850 O THR A 59 15.297 1.094 3.419 1.00 0.00 O ATOM 851 CB THR A 59 12.605 0.418 1.578 1.00 0.00 C ATOM 852 OG1 THR A 59 11.705 0.783 0.519 1.00 0.00 O ATOM 853 CG2 THR A 59 11.963 0.747 2.944 1.00 0.00 C ATOM 0 H THR A 59 13.839 0.380 -0.575 1.00 0.00 H new ATOM 0 HA THR A 59 13.859 2.200 1.574 1.00 0.00 H new ATOM 0 HB THR A 59 12.793 -0.655 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.783 0.760 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.010 0.225 3.034 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.629 0.427 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.796 1.822 3.018 1.00 0.00 H new ATOM 861 N ILE A 60 15.630 -0.585 1.917 1.00 0.00 N ATOM 862 CA ILE A 60 16.601 -1.363 2.708 1.00 0.00 C ATOM 863 C ILE A 60 17.843 -1.697 1.855 1.00 0.00 C ATOM 864 O ILE A 60 17.716 -1.980 0.659 1.00 0.00 O ATOM 865 CB ILE A 60 15.936 -2.704 3.216 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.674 -2.416 4.102 1.00 0.00 C ATOM 867 CG2 ILE A 60 16.954 -3.588 3.970 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.889 -3.641 4.554 1.00 0.00 C ATOM 0 H ILE A 60 15.452 -0.985 0.996 1.00 0.00 H new ATOM 0 HA ILE A 60 16.907 -0.763 3.565 1.00 0.00 H new ATOM 0 HB ILE A 60 15.605 -3.257 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 60 14.992 -1.865 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.003 -1.763 3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.464 -4.502 4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.779 -3.842 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.339 -3.045 4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.039 -3.326 5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.530 -4.186 3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.535 -4.289 5.146 1.00 0.00 H new ATOM 880 N ILE A 61 19.044 -1.654 2.485 1.00 0.00 N ATOM 881 CA ILE A 61 20.319 -2.093 1.867 1.00 0.00 C ATOM 882 C ILE A 61 21.057 -3.012 2.853 1.00 0.00 C ATOM 883 O ILE A 61 21.163 -2.676 4.028 1.00 0.00 O ATOM 884 CB ILE A 61 21.271 -0.884 1.509 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.494 0.229 0.736 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.512 -1.368 0.699 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.307 1.450 0.374 1.00 0.00 C ATOM 0 H ILE A 61 19.155 -1.312 3.440 1.00 0.00 H new ATOM 0 HA ILE A 61 20.070 -2.609 0.940 1.00 0.00 H new ATOM 0 HB ILE A 61 21.631 -0.453 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.089 -0.202 -0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.645 0.545 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.150 -0.515 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.074 -2.090 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.181 -1.837 -0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.677 2.162 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.690 1.914 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.141 1.156 -0.263 1.00 0.00 H new ATOM 899 N ILE A 62 21.545 -4.174 2.385 1.00 0.00 N ATOM 900 CA ILE A 62 22.420 -5.067 3.189 1.00 0.00 C ATOM 901 C ILE A 62 23.776 -5.210 2.466 1.00 0.00 C ATOM 902 O ILE A 62 23.798 -5.420 1.260 1.00 0.00 O ATOM 903 CB ILE A 62 21.805 -6.522 3.410 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.382 -6.496 4.074 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.755 -7.402 4.262 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.225 -6.231 3.132 1.00 0.00 C ATOM 0 H ILE A 62 21.350 -4.525 1.447 1.00 0.00 H new ATOM 0 HA ILE A 62 22.528 -4.610 4.173 1.00 0.00 H new ATOM 0 HB ILE A 62 21.695 -6.953 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.213 -7.453 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.377 -5.731 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.313 -8.389 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.714 -7.501 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.908 -6.936 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.291 -6.235 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.359 -5.260 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.192 -7.008 2.368 1.00 0.00 H new ATOM 918 N HIS A 63 24.904 -5.075 3.187 1.00 0.00 N ATOM 919 CA HIS A 63 26.237 -5.450 2.653 1.00 0.00 C ATOM 920 C HIS A 63 26.728 -6.699 3.376 1.00 0.00 C ATOM 921 O HIS A 63 27.421 -6.624 4.394 1.00 0.00 O ATOM 922 CB HIS A 63 27.267 -4.281 2.735 1.00 0.00 C ATOM 923 CG HIS A 63 27.196 -3.312 1.578 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.259 -2.512 1.245 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.176 -3.063 0.715 1.00 0.00 C ATOM 926 CE1 HIS A 63 27.870 -1.809 0.204 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.614 -2.107 -0.153 1.00 0.00 N ATOM 0 H HIS A 63 24.925 -4.710 4.139 1.00 0.00 H new ATOM 0 HA HIS A 63 26.136 -5.669 1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.105 -3.733 3.664 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.272 -4.700 2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.204 -3.533 0.716 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.487 -1.081 -0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.087 -1.698 -0.925 1.00 0.00 H new ATOM 935 N SER A 64 26.287 -7.846 2.860 1.00 0.00 N ATOM 936 CA SER A 64 26.723 -9.161 3.308 1.00 0.00 C ATOM 937 C SER A 64 28.065 -9.493 2.648 1.00 0.00 C ATOM 938 O SER A 64 28.121 -10.103 1.574 1.00 0.00 O ATOM 939 CB SER A 64 25.635 -10.192 2.950 1.00 0.00 C ATOM 940 OG SER A 64 25.264 -10.115 1.581 1.00 0.00 O ATOM 0 H SER A 64 25.603 -7.884 2.104 1.00 0.00 H new ATOM 0 HA SER A 64 26.867 -9.180 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.998 -11.195 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 64 24.757 -10.025 3.574 1.00 0.00 H new ATOM 0 HG SER A 64 25.867 -9.500 1.113 1.00 0.00 H new ATOM 946 N VAL A 65 29.156 -9.035 3.262 1.00 0.00 N ATOM 947 CA VAL A 65 30.488 -9.114 2.653 1.00 0.00 C ATOM 948 C VAL A 65 31.504 -9.789 3.581 1.00 0.00 C ATOM 949 O VAL A 65 31.290 -9.927 4.788 1.00 0.00 O ATOM 950 CB VAL A 65 30.978 -7.684 2.207 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.041 -7.094 1.123 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.105 -6.715 3.411 1.00 0.00 C ATOM 0 H VAL A 65 29.145 -8.603 4.186 1.00 0.00 H new ATOM 0 HA VAL A 65 30.409 -9.741 1.765 1.00 0.00 H new ATOM 0 HB VAL A 65 31.973 -7.801 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.399 -6.107 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.034 -7.750 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.030 -7.010 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.445 -5.741 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.134 -6.607 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.825 -7.115 4.125 1.00 0.00 H new ATOM 962 N ALA A 66 32.586 -10.250 2.956 1.00 0.00 N ATOM 963 CA ALA A 66 33.751 -10.864 3.613 1.00 0.00 C ATOM 964 C ALA A 66 34.997 -10.011 3.328 1.00 0.00 C ATOM 965 O ALA A 66 36.012 -10.104 4.023 1.00 0.00 O ATOM 966 CB ALA A 66 33.939 -12.294 3.092 1.00 0.00 C ATOM 0 H ALA A 66 32.684 -10.207 1.942 1.00 0.00 H new ATOM 0 HA ALA A 66 33.594 -10.908 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.802 -12.748 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.048 -12.881 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.101 -12.270 2.014 1.00 0.00 H new ATOM 972 N VAL A 67 34.884 -9.182 2.279 1.00 0.00 N ATOM 973 CA VAL A 67 35.899 -8.221 1.840 1.00 0.00 C ATOM 974 C VAL A 67 35.210 -6.878 1.609 1.00 0.00 C ATOM 975 O VAL A 67 33.982 -6.836 1.462 1.00 0.00 O ATOM 976 CB VAL A 67 36.621 -8.683 0.512 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.614 -9.830 0.793 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.592 -9.085 -0.587 1.00 0.00 C ATOM 0 H VAL A 67 34.050 -9.165 1.693 1.00 0.00 H new ATOM 0 HA VAL A 67 36.665 -8.144 2.611 1.00 0.00 H new ATOM 0 HB VAL A 67 37.188 -7.833 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.097 -10.129 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.370 -9.492 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.078 -10.681 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.123 -9.397 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 67 34.976 -9.908 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 67 34.956 -8.231 -0.820 1.00 0.00 H new ATOM 988 N THR A 68 35.994 -5.789 1.598 1.00 0.00 N ATOM 989 CA THR A 68 35.485 -4.462 1.267 1.00 0.00 C ATOM 990 C THR A 68 34.895 -4.491 -0.160 1.00 0.00 C ATOM 991 O THR A 68 35.635 -4.792 -1.113 1.00 0.00 O ATOM 992 CB THR A 68 36.611 -3.385 1.372 1.00 0.00 C ATOM 993 OG1 THR A 68 37.177 -3.419 2.692 1.00 0.00 O ATOM 994 CG2 THR A 68 36.096 -1.958 1.067 1.00 0.00 C ATOM 0 H THR A 68 36.990 -5.809 1.817 1.00 0.00 H new ATOM 0 HA THR A 68 34.706 -4.192 1.980 1.00 0.00 H new ATOM 0 HB THR A 68 37.366 -3.624 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.886 -2.746 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.918 -1.248 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.694 -1.925 0.054 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.312 -1.694 1.777 1.00 0.00 H new ATOM 1002 N PRO A 69 33.555 -4.246 -0.324 1.00 0.00 N ATOM 1003 CA PRO A 69 32.918 -4.258 -1.650 1.00 0.00 C ATOM 1004 C PRO A 69 33.498 -3.147 -2.542 1.00 0.00 C ATOM 1005 O PRO A 69 33.756 -2.032 -2.063 1.00 0.00 O ATOM 1006 CB PRO A 69 31.417 -4.038 -1.336 1.00 0.00 C ATOM 1007 CG PRO A 69 31.388 -3.361 -0.003 1.00 0.00 C ATOM 1008 CD PRO A 69 32.568 -3.923 0.758 1.00 0.00 C ATOM 0 HA PRO A 69 33.086 -5.181 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 69 30.941 -3.423 -2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 69 30.878 -4.985 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.468 -2.279 -0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.452 -3.561 0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.971 -3.200 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.293 -4.810 1.329 1.00 0.00 H new ATOM 1016 N GLU A 70 33.700 -3.475 -3.829 1.00 0.00 N ATOM 1017 CA GLU A 70 34.351 -2.580 -4.802 1.00 0.00 C ATOM 1018 C GLU A 70 33.569 -1.263 -4.931 1.00 0.00 C ATOM 1019 O GLU A 70 34.142 -0.177 -5.028 1.00 0.00 O ATOM 1020 CB GLU A 70 34.446 -3.276 -6.197 1.00 0.00 C ATOM 1021 CG GLU A 70 35.012 -4.714 -6.186 1.00 0.00 C ATOM 1022 CD GLU A 70 36.465 -4.788 -5.699 1.00 0.00 C ATOM 1023 OE1 GLU A 70 37.374 -4.445 -6.493 1.00 0.00 O ATOM 1024 OE2 GLU A 70 36.704 -5.171 -4.533 1.00 0.00 O ATOM 0 H GLU A 70 33.416 -4.371 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 70 35.356 -2.358 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 70 33.451 -3.299 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.070 -2.663 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 70 34.389 -5.338 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.951 -5.129 -7.192 1.00 0.00 H new ATOM 1031 N ASP A 71 32.242 -1.400 -4.884 1.00 0.00 N ATOM 1032 CA ASP A 71 31.288 -0.305 -5.109 1.00 0.00 C ATOM 1033 C ASP A 71 30.680 0.183 -3.795 1.00 0.00 C ATOM 1034 O ASP A 71 29.570 0.697 -3.783 1.00 0.00 O ATOM 1035 CB ASP A 71 30.206 -0.797 -6.097 1.00 0.00 C ATOM 1036 CG ASP A 71 30.799 -1.065 -7.482 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.433 -2.126 -7.678 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.660 -0.205 -8.373 1.00 0.00 O ATOM 0 H ASP A 71 31.789 -2.292 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 71 31.805 0.552 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.747 -1.708 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.416 -0.051 -6.176 1.00 0.00 H new ATOM 1043 N ASN A 72 31.449 0.083 -2.696 1.00 0.00 N ATOM 1044 CA ASN A 72 31.025 0.560 -1.355 1.00 0.00 C ATOM 1045 C ASN A 72 30.726 2.089 -1.379 1.00 0.00 C ATOM 1046 O ASN A 72 29.894 2.590 -0.611 1.00 0.00 O ATOM 1047 CB ASN A 72 32.121 0.216 -0.304 1.00 0.00 C ATOM 1048 CG ASN A 72 33.336 1.145 -0.332 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.371 2.163 0.361 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.331 0.812 -1.127 1.00 0.00 N ATOM 0 H ASN A 72 32.382 -0.329 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 72 30.103 0.052 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.677 0.249 0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.457 -0.808 -0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 72 35.160 1.403 -1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.273 -0.037 -1.689 1.00 0.00 H new ATOM 1057 N GLU A 73 31.416 2.789 -2.310 1.00 0.00 N ATOM 1058 CA GLU A 73 31.256 4.234 -2.584 1.00 0.00 C ATOM 1059 C GLU A 73 29.817 4.591 -3.025 1.00 0.00 C ATOM 1060 O GLU A 73 29.329 5.675 -2.718 1.00 0.00 O ATOM 1061 CB GLU A 73 32.262 4.653 -3.689 1.00 0.00 C ATOM 1062 CG GLU A 73 32.067 3.916 -5.042 1.00 0.00 C ATOM 1063 CD GLU A 73 33.051 4.347 -6.141 1.00 0.00 C ATOM 1064 OE1 GLU A 73 33.202 5.563 -6.369 1.00 0.00 O ATOM 1065 OE2 GLU A 73 33.640 3.476 -6.809 1.00 0.00 O ATOM 0 H GLU A 73 32.118 2.351 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 73 31.454 4.776 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.173 5.726 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.275 4.469 -3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.171 2.844 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.049 4.088 -5.393 1.00 0.00 H new ATOM 1072 N ARG A 74 29.164 3.650 -3.736 1.00 0.00 N ATOM 1073 CA ARG A 74 27.812 3.829 -4.307 1.00 0.00 C ATOM 1074 C ARG A 74 26.742 3.964 -3.207 1.00 0.00 C ATOM 1075 O ARG A 74 25.730 4.643 -3.386 1.00 0.00 O ATOM 1076 CB ARG A 74 27.454 2.625 -5.222 1.00 0.00 C ATOM 1077 CG ARG A 74 28.377 2.385 -6.442 1.00 0.00 C ATOM 1078 CD ARG A 74 28.081 3.287 -7.655 1.00 0.00 C ATOM 1079 NE ARG A 74 28.398 4.708 -7.398 1.00 0.00 N ATOM 1080 CZ ARG A 74 29.562 5.307 -7.697 1.00 0.00 C ATOM 1081 NH1 ARG A 74 30.576 4.621 -8.212 1.00 0.00 N ATOM 1082 NH2 ARG A 74 29.711 6.594 -7.438 1.00 0.00 N ATOM 0 H ARG A 74 29.565 2.733 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 74 27.824 4.750 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.453 1.722 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.436 2.764 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 74 29.411 2.539 -6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 74 28.288 1.343 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.659 2.939 -8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 74 27.028 3.196 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 74 27.675 5.278 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.478 3.621 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 74 31.452 5.094 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 74 28.947 7.121 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 74 30.590 7.061 -7.660 1.00 0.00 H new ATOM 1096 N PHE A 75 26.998 3.300 -2.071 1.00 0.00 N ATOM 1097 CA PHE A 75 26.010 3.123 -0.985 1.00 0.00 C ATOM 1098 C PHE A 75 26.354 3.972 0.249 1.00 0.00 C ATOM 1099 O PHE A 75 25.593 3.972 1.218 1.00 0.00 O ATOM 1100 CB PHE A 75 25.954 1.624 -0.586 1.00 0.00 C ATOM 1101 CG PHE A 75 25.772 0.672 -1.768 1.00 0.00 C ATOM 1102 CD1 PHE A 75 26.875 0.172 -2.454 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.510 0.283 -2.191 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.726 -0.670 -3.532 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.365 -0.564 -3.269 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.472 -1.043 -3.935 1.00 0.00 C ATOM 0 H PHE A 75 27.900 2.866 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 75 25.040 3.456 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 75 26.873 1.364 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.134 1.476 0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.868 0.451 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.635 0.646 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.595 -1.035 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.377 -0.854 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.351 -1.712 -4.774 1.00 0.00 H new ATOM 1116 N GLU A 76 27.489 4.703 0.199 1.00 0.00 N ATOM 1117 CA GLU A 76 28.029 5.445 1.361 1.00 0.00 C ATOM 1118 C GLU A 76 27.058 6.549 1.854 1.00 0.00 C ATOM 1119 O GLU A 76 26.942 6.790 3.060 1.00 0.00 O ATOM 1120 CB GLU A 76 29.414 6.051 1.000 1.00 0.00 C ATOM 1121 CG GLU A 76 30.127 6.777 2.170 1.00 0.00 C ATOM 1122 CD GLU A 76 31.465 7.425 1.766 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.463 8.581 1.286 1.00 0.00 O ATOM 1124 OE2 GLU A 76 32.525 6.779 1.910 1.00 0.00 O ATOM 0 H GLU A 76 28.055 4.796 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 76 28.146 4.739 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.061 5.253 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.284 6.755 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.465 7.546 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.306 6.064 2.975 1.00 0.00 H new ATOM 1131 N SER A 77 26.345 7.185 0.912 1.00 0.00 N ATOM 1132 CA SER A 77 25.391 8.274 1.210 1.00 0.00 C ATOM 1133 C SER A 77 24.070 7.739 1.814 1.00 0.00 C ATOM 1134 O SER A 77 23.291 8.505 2.389 1.00 0.00 O ATOM 1135 CB SER A 77 25.101 9.061 -0.084 1.00 0.00 C ATOM 1136 OG SER A 77 24.589 8.210 -1.102 1.00 0.00 O ATOM 0 H SER A 77 26.411 6.961 -0.081 1.00 0.00 H new ATOM 0 HA SER A 77 25.844 8.929 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 77 24.384 9.855 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 77 26.015 9.540 -0.433 1.00 0.00 H new ATOM 0 HG SER A 77 24.413 8.736 -1.910 1.00 0.00 H new ATOM 1142 N ARG A 78 23.839 6.419 1.686 1.00 0.00 N ATOM 1143 CA ARG A 78 22.574 5.763 2.086 1.00 0.00 C ATOM 1144 C ARG A 78 22.773 4.889 3.338 1.00 0.00 C ATOM 1145 O ARG A 78 23.908 4.560 3.707 1.00 0.00 O ATOM 1146 CB ARG A 78 22.044 4.904 0.904 1.00 0.00 C ATOM 1147 CG ARG A 78 21.829 5.675 -0.422 1.00 0.00 C ATOM 1148 CD ARG A 78 20.799 6.811 -0.305 1.00 0.00 C ATOM 1149 NE ARG A 78 20.639 7.546 -1.577 1.00 0.00 N ATOM 1150 CZ ARG A 78 20.018 8.731 -1.716 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.482 9.359 -0.672 1.00 0.00 N ATOM 1152 NH2 ARG A 78 19.934 9.281 -2.917 1.00 0.00 N ATOM 0 H ARG A 78 24.527 5.772 1.300 1.00 0.00 H new ATOM 0 HA ARG A 78 21.843 6.533 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.746 4.090 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.098 4.450 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.782 6.090 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.503 4.976 -1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.837 6.398 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.110 7.503 0.477 1.00 0.00 H new ATOM 0 HE ARG A 78 21.031 7.121 -2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.537 8.942 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 78 19.016 10.257 -0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.338 8.806 -3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.465 10.179 -3.035 1.00 0.00 H new ATOM 1166 N ASP A 79 21.649 4.531 3.993 1.00 0.00 N ATOM 1167 CA ASP A 79 21.643 3.654 5.177 1.00 0.00 C ATOM 1168 C ASP A 79 21.850 2.194 4.760 1.00 0.00 C ATOM 1169 O ASP A 79 20.965 1.574 4.148 1.00 0.00 O ATOM 1170 CB ASP A 79 20.318 3.786 5.974 1.00 0.00 C ATOM 1171 CG ASP A 79 20.152 5.152 6.653 1.00 0.00 C ATOM 1172 OD1 ASP A 79 20.882 5.431 7.630 1.00 0.00 O ATOM 1173 OD2 ASP A 79 19.308 5.955 6.218 1.00 0.00 O ATOM 0 H ASP A 79 20.719 4.844 3.713 1.00 0.00 H new ATOM 0 HA ASP A 79 22.464 3.967 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.478 3.619 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 79 20.279 3.004 6.732 1.00 0.00 H new ATOM 1178 N VAL A 80 23.033 1.659 5.085 1.00 0.00 N ATOM 1179 CA VAL A 80 23.405 0.270 4.780 1.00 0.00 C ATOM 1180 C VAL A 80 23.560 -0.529 6.084 1.00 0.00 C ATOM 1181 O VAL A 80 24.139 -0.043 7.060 1.00 0.00 O ATOM 1182 CB VAL A 80 24.743 0.201 3.962 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.083 -1.248 3.559 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.688 1.116 2.724 1.00 0.00 C ATOM 0 H VAL A 80 23.764 2.180 5.570 1.00 0.00 H new ATOM 0 HA VAL A 80 22.610 -0.163 4.173 1.00 0.00 H new ATOM 0 HB VAL A 80 25.540 0.561 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.015 -1.259 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.194 -1.858 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.280 -1.652 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.629 1.046 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.869 0.803 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.527 2.147 3.040 1.00 0.00 H new ATOM 1194 N TYR A 81 23.039 -1.761 6.075 1.00 0.00 N ATOM 1195 CA TYR A 81 23.142 -2.704 7.192 1.00 0.00 C ATOM 1196 C TYR A 81 24.242 -3.722 6.851 1.00 0.00 C ATOM 1197 O TYR A 81 23.991 -4.742 6.192 1.00 0.00 O ATOM 1198 CB TYR A 81 21.761 -3.375 7.442 1.00 0.00 C ATOM 1199 CG TYR A 81 20.648 -2.360 7.781 1.00 0.00 C ATOM 1200 CD1 TYR A 81 19.947 -1.685 6.773 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.334 -2.048 9.103 1.00 0.00 C ATOM 1202 CE1 TYR A 81 18.968 -0.763 7.072 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.351 -1.124 9.407 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.677 -0.479 8.390 1.00 0.00 C ATOM 1205 OH TYR A 81 17.683 0.430 8.687 1.00 0.00 O ATOM 0 H TYR A 81 22.526 -2.136 5.277 1.00 0.00 H new ATOM 0 HA TYR A 81 23.415 -2.198 8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.472 -3.940 6.556 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.854 -4.090 8.259 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.179 -1.892 5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.868 -2.537 9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.431 -0.265 6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.111 -0.908 10.438 1.00 0.00 H new ATOM 0 HH TYR A 81 17.600 0.518 9.660 1.00 0.00 H new ATOM 1215 N GLU A 82 25.481 -3.382 7.250 1.00 0.00 N ATOM 1216 CA GLU A 82 26.683 -4.164 6.920 1.00 0.00 C ATOM 1217 C GLU A 82 26.858 -5.329 7.900 1.00 0.00 C ATOM 1218 O GLU A 82 26.878 -5.140 9.121 1.00 0.00 O ATOM 1219 CB GLU A 82 27.935 -3.256 6.921 1.00 0.00 C ATOM 1220 CG GLU A 82 27.877 -2.121 5.883 1.00 0.00 C ATOM 1221 CD GLU A 82 29.149 -1.261 5.858 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.137 -1.665 5.207 1.00 0.00 O ATOM 1223 OE2 GLU A 82 29.176 -0.196 6.508 1.00 0.00 O ATOM 0 H GLU A 82 25.676 -2.554 7.812 1.00 0.00 H new ATOM 0 HA GLU A 82 26.559 -4.579 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.058 -2.823 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.817 -3.868 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.716 -2.549 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.019 -1.484 6.098 1.00 0.00 H new ATOM 1230 N ILE A 83 26.969 -6.530 7.335 1.00 0.00 N ATOM 1231 CA ILE A 83 27.135 -7.794 8.069 1.00 0.00 C ATOM 1232 C ILE A 83 28.222 -8.638 7.369 1.00 0.00 C ATOM 1233 O ILE A 83 28.866 -8.178 6.411 1.00 0.00 O ATOM 1234 CB ILE A 83 25.783 -8.611 8.100 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.307 -8.910 6.644 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.679 -7.886 8.922 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.185 -9.906 6.538 1.00 0.00 C ATOM 0 H ILE A 83 26.946 -6.660 6.324 1.00 0.00 H new ATOM 0 HA ILE A 83 27.426 -7.569 9.095 1.00 0.00 H new ATOM 0 HB ILE A 83 25.973 -9.557 8.607 1.00 0.00 H new ATOM 0 HG12 ILE A 83 24.989 -7.975 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.156 -9.278 6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.768 -8.485 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.018 -7.753 9.949 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.476 -6.911 8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.923 -10.049 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.501 -10.857 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.316 -9.535 7.082 1.00 0.00 H new ATOM 1249 N THR A 84 28.418 -9.878 7.843 1.00 0.00 N ATOM 1250 CA THR A 84 29.242 -10.860 7.133 1.00 0.00 C ATOM 1251 C THR A 84 28.388 -11.625 6.118 1.00 0.00 C ATOM 1252 O THR A 84 27.176 -11.786 6.301 1.00 0.00 O ATOM 1253 CB THR A 84 29.937 -11.856 8.110 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.980 -12.393 9.045 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.089 -11.180 8.861 1.00 0.00 C ATOM 0 H THR A 84 28.016 -10.221 8.715 1.00 0.00 H new ATOM 0 HA THR A 84 30.028 -10.314 6.610 1.00 0.00 H new ATOM 0 HB THR A 84 30.350 -12.673 7.519 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.430 -13.018 9.651 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.555 -11.899 9.535 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.829 -10.821 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.704 -10.339 9.437 1.00 0.00 H new ATOM 1263 N LEU A 85 29.047 -12.095 5.054 1.00 0.00 N ATOM 1264 CA LEU A 85 28.399 -12.878 3.982 1.00 0.00 C ATOM 1265 C LEU A 85 27.912 -14.242 4.514 1.00 0.00 C ATOM 1266 O LEU A 85 26.939 -14.808 4.003 1.00 0.00 O ATOM 1267 CB LEU A 85 29.390 -13.010 2.791 1.00 0.00 C ATOM 1268 CG LEU A 85 28.810 -13.564 1.442 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.500 -12.933 0.220 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.901 -15.101 1.372 1.00 0.00 C ATOM 0 H LEU A 85 30.045 -11.946 4.906 1.00 0.00 H new ATOM 0 HA LEU A 85 27.507 -12.363 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.820 -12.027 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.208 -13.660 3.101 1.00 0.00 H new ATOM 0 HG LEU A 85 27.757 -13.283 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.069 -13.344 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.353 -11.853 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.567 -13.155 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.490 -15.447 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.944 -15.408 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.333 -15.537 2.194 1.00 0.00 H new ATOM 1282 N GLN A 86 28.593 -14.737 5.560 1.00 0.00 N ATOM 1283 CA GLN A 86 28.196 -15.953 6.283 1.00 0.00 C ATOM 1284 C GLN A 86 26.828 -15.758 6.969 1.00 0.00 C ATOM 1285 O GLN A 86 25.972 -16.648 6.913 1.00 0.00 O ATOM 1286 CB GLN A 86 29.271 -16.307 7.339 1.00 0.00 C ATOM 1287 CG GLN A 86 28.958 -17.566 8.172 1.00 0.00 C ATOM 1288 CD GLN A 86 30.009 -17.868 9.240 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.913 -17.405 10.377 1.00 0.00 O ATOM 1290 NE2 GLN A 86 31.021 -18.639 8.876 1.00 0.00 N ATOM 0 H GLN A 86 29.439 -14.302 5.929 1.00 0.00 H new ATOM 0 HA GLN A 86 28.108 -16.771 5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.226 -16.449 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.391 -15.460 8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.988 -17.442 8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.874 -18.423 7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 86 31.067 -19.005 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.755 -18.868 9.547 1.00 0.00 H new ATOM 1299 N ASP A 87 26.643 -14.576 7.605 1.00 0.00 N ATOM 1300 CA ASP A 87 25.395 -14.215 8.316 1.00 0.00 C ATOM 1301 C ASP A 87 24.201 -14.186 7.345 1.00 0.00 C ATOM 1302 O ASP A 87 23.085 -14.491 7.728 1.00 0.00 O ATOM 1303 CB ASP A 87 25.526 -12.848 9.044 1.00 0.00 C ATOM 1304 CG ASP A 87 24.420 -12.604 10.092 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.364 -13.362 11.086 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.608 -11.671 9.929 1.00 0.00 O ATOM 0 H ASP A 87 27.355 -13.847 7.639 1.00 0.00 H new ATOM 0 HA ASP A 87 25.218 -14.983 9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.498 -12.797 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.499 -12.047 8.305 1.00 0.00 H new ATOM 1311 N ALA A 88 24.475 -13.824 6.083 1.00 0.00 N ATOM 1312 CA ALA A 88 23.469 -13.798 5.002 1.00 0.00 C ATOM 1313 C ALA A 88 22.931 -15.196 4.669 1.00 0.00 C ATOM 1314 O ALA A 88 21.771 -15.349 4.294 1.00 0.00 O ATOM 1315 CB ALA A 88 24.081 -13.163 3.765 1.00 0.00 C ATOM 0 H ALA A 88 25.406 -13.539 5.778 1.00 0.00 H new ATOM 0 HA ALA A 88 22.621 -13.207 5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.342 -13.141 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.395 -12.145 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.945 -13.746 3.446 1.00 0.00 H new ATOM 1321 N ILE A 89 23.801 -16.199 4.804 1.00 0.00 N ATOM 1322 CA ILE A 89 23.485 -17.600 4.486 1.00 0.00 C ATOM 1323 C ILE A 89 22.671 -18.246 5.632 1.00 0.00 C ATOM 1324 O ILE A 89 21.649 -18.899 5.393 1.00 0.00 O ATOM 1325 CB ILE A 89 24.820 -18.398 4.231 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.612 -17.771 3.034 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.556 -19.902 3.987 1.00 0.00 C ATOM 1328 CD1 ILE A 89 27.020 -18.307 2.832 1.00 0.00 C ATOM 0 H ILE A 89 24.755 -16.064 5.140 1.00 0.00 H new ATOM 0 HA ILE A 89 22.876 -17.632 3.582 1.00 0.00 H new ATOM 0 HB ILE A 89 25.427 -18.320 5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 89 25.044 -17.936 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.670 -16.693 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.503 -20.414 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 89 24.064 -20.331 4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.915 -20.022 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.480 -17.808 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.613 -18.118 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.977 -19.380 2.645 1.00 0.00 H new ATOM 1340 N LYS A 90 23.134 -18.038 6.876 1.00 0.00 N ATOM 1341 CA LYS A 90 22.542 -18.672 8.076 1.00 0.00 C ATOM 1342 C LYS A 90 21.290 -17.913 8.574 1.00 0.00 C ATOM 1343 O LYS A 90 20.272 -18.528 8.898 1.00 0.00 O ATOM 1344 CB LYS A 90 23.598 -18.780 9.220 1.00 0.00 C ATOM 1345 CG LYS A 90 24.281 -17.441 9.597 1.00 0.00 C ATOM 1346 CD LYS A 90 25.149 -17.503 10.872 1.00 0.00 C ATOM 1347 CE LYS A 90 26.379 -18.406 10.718 1.00 0.00 C ATOM 1348 NZ LYS A 90 27.341 -18.247 11.839 1.00 0.00 N ATOM 0 H LYS A 90 23.926 -17.429 7.082 1.00 0.00 H new ATOM 0 HA LYS A 90 22.227 -19.675 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.113 -19.187 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.366 -19.493 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.905 -17.118 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.512 -16.681 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.475 -16.496 11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.541 -17.865 11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.058 -19.446 10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.880 -18.176 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 28.268 -17.961 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 26.993 -17.518 12.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 27.437 -19.150 12.345 1.00 0.00 H new ATOM 1362 N ASN A 91 21.369 -16.575 8.594 1.00 0.00 N ATOM 1363 CA ASN A 91 20.370 -15.701 9.252 1.00 0.00 C ATOM 1364 C ASN A 91 19.612 -14.850 8.211 1.00 0.00 C ATOM 1365 O ASN A 91 19.129 -13.778 8.538 1.00 0.00 O ATOM 1366 CB ASN A 91 21.094 -14.775 10.286 1.00 0.00 C ATOM 1367 CG ASN A 91 20.136 -14.062 11.254 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.210 -14.672 11.788 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.305 -12.756 11.423 1.00 0.00 N ATOM 0 H ASN A 91 22.130 -16.059 8.153 1.00 0.00 H new ATOM 0 HA ASN A 91 19.641 -16.325 9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.801 -15.372 10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.674 -14.027 9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.657 -12.230 12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.083 -12.279 10.967 1.00 0.00 H new ATOM 1376 N ALA A 92 19.479 -15.366 6.973 1.00 0.00 N ATOM 1377 CA ALA A 92 18.861 -14.637 5.829 1.00 0.00 C ATOM 1378 C ALA A 92 17.548 -13.913 6.199 1.00 0.00 C ATOM 1379 O ALA A 92 17.464 -12.671 6.159 1.00 0.00 O ATOM 1380 CB ALA A 92 18.604 -15.615 4.682 1.00 0.00 C ATOM 0 H ALA A 92 19.796 -16.304 6.729 1.00 0.00 H new ATOM 0 HA ALA A 92 19.568 -13.864 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.152 -15.083 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.547 -16.058 4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.929 -16.402 5.019 1.00 0.00 H new ATOM 1386 N ALA A 93 16.553 -14.715 6.611 1.00 0.00 N ATOM 1387 CA ALA A 93 15.227 -14.217 6.992 1.00 0.00 C ATOM 1388 C ALA A 93 15.320 -13.289 8.201 1.00 0.00 C ATOM 1389 O ALA A 93 14.617 -12.284 8.256 1.00 0.00 O ATOM 1390 CB ALA A 93 14.274 -15.392 7.258 1.00 0.00 C ATOM 0 H ALA A 93 16.648 -15.728 6.688 1.00 0.00 H new ATOM 0 HA ALA A 93 14.823 -13.634 6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.293 -15.009 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.182 -15.997 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.670 -16.006 8.067 1.00 0.00 H new ATOM 1396 N GLY A 94 16.243 -13.634 9.130 1.00 0.00 N ATOM 1397 CA GLY A 94 16.454 -12.885 10.361 1.00 0.00 C ATOM 1398 C GLY A 94 16.885 -11.449 10.109 1.00 0.00 C ATOM 1399 O GLY A 94 16.303 -10.525 10.657 1.00 0.00 O ATOM 0 H GLY A 94 16.856 -14.443 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.533 -12.886 10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.212 -13.387 10.961 1.00 0.00 H new ATOM 1403 N ILE A 95 17.885 -11.280 9.235 1.00 0.00 N ATOM 1404 CA ILE A 95 18.427 -9.966 8.840 1.00 0.00 C ATOM 1405 C ILE A 95 17.307 -9.071 8.301 1.00 0.00 C ATOM 1406 O ILE A 95 17.062 -7.991 8.837 1.00 0.00 O ATOM 1407 CB ILE A 95 19.532 -10.146 7.740 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.717 -11.006 8.277 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.050 -8.784 7.198 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.431 -11.773 7.200 1.00 0.00 C ATOM 0 H ILE A 95 18.350 -12.062 8.773 1.00 0.00 H new ATOM 0 HA ILE A 95 18.868 -9.495 9.718 1.00 0.00 H new ATOM 0 HB ILE A 95 19.066 -10.672 6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.430 -10.354 8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.340 -11.706 9.023 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.813 -8.961 6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.222 -8.229 6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.479 -8.206 8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.244 -12.350 7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.731 -12.449 6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.837 -11.077 6.466 1.00 0.00 H new ATOM 1422 N ILE A 96 16.613 -9.577 7.260 1.00 0.00 N ATOM 1423 CA ILE A 96 15.536 -8.847 6.565 1.00 0.00 C ATOM 1424 C ILE A 96 14.425 -8.390 7.548 1.00 0.00 C ATOM 1425 O ILE A 96 14.083 -7.207 7.568 1.00 0.00 O ATOM 1426 CB ILE A 96 14.945 -9.716 5.370 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.822 -9.561 4.076 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.466 -9.390 5.047 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.163 -10.264 4.088 1.00 0.00 C ATOM 0 H ILE A 96 16.786 -10.507 6.878 1.00 0.00 H new ATOM 0 HA ILE A 96 15.968 -7.943 6.137 1.00 0.00 H new ATOM 0 HB ILE A 96 14.976 -10.751 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.248 -9.933 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.994 -8.498 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.127 -10.018 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.851 -9.581 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.378 -8.341 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.676 -10.085 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.768 -9.879 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.011 -11.335 4.221 1.00 0.00 H new ATOM 1441 N LYS A 97 13.902 -9.325 8.381 1.00 0.00 N ATOM 1442 CA LYS A 97 12.782 -9.025 9.314 1.00 0.00 C ATOM 1443 C LYS A 97 13.200 -8.044 10.420 1.00 0.00 C ATOM 1444 O LYS A 97 12.375 -7.258 10.890 1.00 0.00 O ATOM 1445 CB LYS A 97 12.161 -10.319 9.928 1.00 0.00 C ATOM 1446 CG LYS A 97 13.123 -11.249 10.723 1.00 0.00 C ATOM 1447 CD LYS A 97 13.324 -10.891 12.219 1.00 0.00 C ATOM 1448 CE LYS A 97 12.080 -11.121 13.083 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.354 -10.819 14.513 1.00 0.00 N ATOM 0 H LYS A 97 14.235 -10.288 8.427 1.00 0.00 H new ATOM 0 HA LYS A 97 12.010 -8.542 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.348 -10.024 10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.718 -10.900 9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.745 -12.270 10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.096 -11.239 10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.146 -11.485 12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.620 -9.845 12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.265 -10.492 12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.751 -12.156 12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.804 -11.464 15.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.368 -10.945 14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.082 -9.837 14.719 1.00 0.00 H new ATOM 1463 N GLU A 98 14.484 -8.115 10.829 1.00 0.00 N ATOM 1464 CA GLU A 98 15.051 -7.217 11.855 1.00 0.00 C ATOM 1465 C GLU A 98 15.050 -5.778 11.339 1.00 0.00 C ATOM 1466 O GLU A 98 14.746 -4.843 12.083 1.00 0.00 O ATOM 1467 CB GLU A 98 16.489 -7.661 12.259 1.00 0.00 C ATOM 1468 CG GLU A 98 16.565 -8.880 13.200 1.00 0.00 C ATOM 1469 CD GLU A 98 15.895 -8.658 14.563 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.491 -7.972 15.420 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.783 -9.190 14.795 1.00 0.00 O ATOM 0 H GLU A 98 15.152 -8.792 10.460 1.00 0.00 H new ATOM 0 HA GLU A 98 14.429 -7.273 12.748 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.049 -7.888 11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.989 -6.820 12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.096 -9.734 12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.612 -9.139 13.359 1.00 0.00 H new ATOM 1478 N ILE A 99 15.360 -5.618 10.045 1.00 0.00 N ATOM 1479 CA ILE A 99 15.385 -4.304 9.396 1.00 0.00 C ATOM 1480 C ILE A 99 13.949 -3.793 9.188 1.00 0.00 C ATOM 1481 O ILE A 99 13.673 -2.608 9.382 1.00 0.00 O ATOM 1482 CB ILE A 99 16.141 -4.355 8.027 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.579 -4.957 8.192 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.205 -2.944 7.406 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.261 -5.345 6.886 1.00 0.00 C ATOM 0 H ILE A 99 15.599 -6.391 9.424 1.00 0.00 H new ATOM 0 HA ILE A 99 15.923 -3.617 10.049 1.00 0.00 H new ATOM 0 HB ILE A 99 15.587 -5.010 7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.205 -4.231 8.711 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.518 -5.839 8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.733 -2.989 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.193 -2.572 7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.734 -2.272 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.250 -5.752 7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.662 -6.097 6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.360 -4.464 6.251 1.00 0.00 H new ATOM 1497 N GLU A 100 13.051 -4.722 8.822 1.00 0.00 N ATOM 1498 CA GLU A 100 11.621 -4.443 8.601 1.00 0.00 C ATOM 1499 C GLU A 100 10.977 -3.819 9.847 1.00 0.00 C ATOM 1500 O GLU A 100 10.310 -2.794 9.751 1.00 0.00 O ATOM 1501 CB GLU A 100 10.861 -5.750 8.225 1.00 0.00 C ATOM 1502 CG GLU A 100 11.083 -6.258 6.772 1.00 0.00 C ATOM 1503 CD GLU A 100 9.771 -6.358 5.970 1.00 0.00 C ATOM 1504 OE1 GLU A 100 9.259 -5.312 5.516 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.209 -7.468 5.851 1.00 0.00 O ATOM 0 H GLU A 100 13.300 -5.699 8.669 1.00 0.00 H new ATOM 0 HA GLU A 100 11.549 -3.732 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.162 -6.537 8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.794 -5.585 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.768 -5.585 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.561 -7.237 6.803 1.00 0.00 H new ATOM 1512 N GLU A 101 11.215 -4.446 11.012 1.00 0.00 N ATOM 1513 CA GLU A 101 10.591 -4.038 12.286 1.00 0.00 C ATOM 1514 C GLU A 101 11.228 -2.745 12.839 1.00 0.00 C ATOM 1515 O GLU A 101 10.539 -1.941 13.468 1.00 0.00 O ATOM 1516 CB GLU A 101 10.653 -5.192 13.321 1.00 0.00 C ATOM 1517 CG GLU A 101 12.068 -5.646 13.704 1.00 0.00 C ATOM 1518 CD GLU A 101 12.080 -6.836 14.673 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.915 -7.983 14.219 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.219 -6.624 15.897 1.00 0.00 O ATOM 0 H GLU A 101 11.842 -5.246 11.099 1.00 0.00 H new ATOM 0 HA GLU A 101 9.541 -3.819 12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.132 -4.877 14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.109 -6.048 12.921 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.613 -5.917 12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.600 -4.810 14.159 1.00 0.00 H new ATOM 1527 N MET A 102 12.541 -2.547 12.584 1.00 0.00 N ATOM 1528 CA MET A 102 13.253 -1.307 12.978 1.00 0.00 C ATOM 1529 C MET A 102 12.713 -0.099 12.196 1.00 0.00 C ATOM 1530 O MET A 102 12.391 0.944 12.783 1.00 0.00 O ATOM 1531 CB MET A 102 14.791 -1.451 12.769 1.00 0.00 C ATOM 1532 CG MET A 102 15.505 -2.307 13.831 1.00 0.00 C ATOM 1533 SD MET A 102 17.311 -2.318 13.656 1.00 0.00 S ATOM 1534 CE MET A 102 17.538 -3.047 12.036 1.00 0.00 C ATOM 0 H MET A 102 13.130 -3.229 12.107 1.00 0.00 H new ATOM 0 HA MET A 102 13.072 -1.140 14.040 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.972 -1.889 11.787 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.238 -0.457 12.762 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.246 -1.933 14.822 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.136 -3.331 13.770 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.601 -3.207 11.855 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.014 -4.002 11.990 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.137 -2.376 11.276 1.00 0.00 H new ATOM 1544 N ILE A 103 12.588 -0.266 10.868 1.00 0.00 N ATOM 1545 CA ILE A 103 12.069 0.782 9.975 1.00 0.00 C ATOM 1546 C ILE A 103 10.568 1.029 10.249 1.00 0.00 C ATOM 1547 O ILE A 103 10.124 2.171 10.286 1.00 0.00 O ATOM 1548 CB ILE A 103 12.336 0.441 8.456 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.883 0.402 8.178 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.612 1.428 7.496 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.285 0.232 6.717 1.00 0.00 C ATOM 0 H ILE A 103 12.843 -1.128 10.386 1.00 0.00 H new ATOM 0 HA ILE A 103 12.609 1.705 10.188 1.00 0.00 H new ATOM 0 HB ILE A 103 11.918 -0.546 8.256 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.325 1.325 8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.317 -0.416 8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.825 1.153 6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.537 1.381 7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.966 2.442 7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.372 0.218 6.638 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.881 -0.706 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.889 1.062 6.132 1.00 0.00 H new ATOM 1563 N ALA A 104 9.806 -0.047 10.507 1.00 0.00 N ATOM 1564 CA ALA A 104 8.365 0.044 10.835 1.00 0.00 C ATOM 1565 C ALA A 104 8.146 0.776 12.176 1.00 0.00 C ATOM 1566 O ALA A 104 7.126 1.431 12.370 1.00 0.00 O ATOM 1567 CB ALA A 104 7.725 -1.357 10.873 1.00 0.00 C ATOM 0 H ALA A 104 10.165 -1.002 10.495 1.00 0.00 H new ATOM 0 HA ALA A 104 7.879 0.624 10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.666 -1.267 11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.835 -1.834 9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.221 -1.963 11.631 1.00 0.00 H new ATOM 1573 N SER A 105 9.137 0.678 13.075 1.00 0.00 N ATOM 1574 CA SER A 105 9.078 1.297 14.408 1.00 0.00 C ATOM 1575 C SER A 105 9.275 2.826 14.316 1.00 0.00 C ATOM 1576 O SER A 105 8.554 3.588 14.965 1.00 0.00 O ATOM 1577 CB SER A 105 10.140 0.648 15.331 1.00 0.00 C ATOM 1578 OG SER A 105 9.999 1.052 16.687 1.00 0.00 O ATOM 0 H SER A 105 10.002 0.167 12.898 1.00 0.00 H new ATOM 0 HA SER A 105 8.091 1.123 14.836 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.058 -0.437 15.268 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.136 0.914 14.977 1.00 0.00 H new ATOM 0 HG SER A 105 10.688 0.617 17.231 1.00 0.00 H new ATOM 1584 N GLU A 106 10.251 3.265 13.489 1.00 0.00 N ATOM 1585 CA GLU A 106 10.571 4.705 13.310 1.00 0.00 C ATOM 1586 C GLU A 106 9.531 5.409 12.409 1.00 0.00 C ATOM 1587 O GLU A 106 9.210 6.582 12.631 1.00 0.00 O ATOM 1588 CB GLU A 106 12.006 4.902 12.742 1.00 0.00 C ATOM 1589 CG GLU A 106 12.275 4.189 11.404 1.00 0.00 C ATOM 1590 CD GLU A 106 13.619 4.557 10.759 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.675 4.255 11.350 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.625 5.182 9.671 1.00 0.00 O ATOM 0 H GLU A 106 10.835 2.641 12.931 1.00 0.00 H new ATOM 0 HA GLU A 106 10.530 5.166 14.297 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.187 5.969 12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.725 4.545 13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.244 3.112 11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.472 4.430 10.708 1.00 0.00 H new ATOM 1599 N GLN A 107 9.009 4.684 11.402 1.00 0.00 N ATOM 1600 CA GLN A 107 8.021 5.229 10.446 1.00 0.00 C ATOM 1601 C GLN A 107 6.619 5.334 11.078 1.00 0.00 C ATOM 1602 O GLN A 107 5.789 6.124 10.617 1.00 0.00 O ATOM 1603 CB GLN A 107 7.967 4.377 9.145 1.00 0.00 C ATOM 1604 CG GLN A 107 9.265 4.376 8.295 1.00 0.00 C ATOM 1605 CD GLN A 107 9.610 5.719 7.629 1.00 0.00 C ATOM 1606 OE1 GLN A 107 9.302 6.800 8.134 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.272 5.660 6.486 1.00 0.00 N ATOM 0 H GLN A 107 9.257 3.710 11.227 1.00 0.00 H new ATOM 0 HA GLN A 107 8.349 6.235 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.729 3.348 9.415 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.148 4.742 8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.098 4.080 8.932 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.172 3.617 7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.517 4.755 6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.537 6.520 6.005 1.00 0.00 H new ATOM 1616 N GLN A 108 6.355 4.516 12.115 1.00 0.00 N ATOM 1617 CA GLN A 108 5.076 4.536 12.856 1.00 0.00 C ATOM 1618 C GLN A 108 5.293 5.148 14.257 1.00 0.00 C ATOM 1619 O GLN A 108 5.155 6.376 14.395 1.00 0.00 O ATOM 1620 CB GLN A 108 4.477 3.100 12.926 1.00 0.00 C ATOM 1621 CG GLN A 108 4.117 2.480 11.560 1.00 0.00 C ATOM 1622 CD GLN A 108 3.096 3.308 10.777 1.00 0.00 C ATOM 1623 OE1 GLN A 108 1.889 3.133 10.932 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.570 4.207 9.921 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.647 4.417 15.201 1.00 0.00 O ATOM 0 H GLN A 108 7.019 3.824 12.463 1.00 0.00 H new ATOM 0 HA GLN A 108 4.354 5.163 12.332 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.192 2.448 13.428 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.580 3.126 13.545 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.024 2.375 10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.720 1.477 11.716 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.577 4.329 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.927 4.775 9.370 1.00 0.00 H new TER 1634 GLN A 108