USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=28 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 26 THR OG1 : rot 170:sc= -1.21 USER MOD Set 1.2: A 30 THR OG1 : rot 46:sc= 1.86 USER MOD Single : A 1 ASP N :NH3+ -174:sc= 0 (180deg=-0.056) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 165:sc= -1.2 (180deg=-1.37) USER MOD Single : A 14 THR OG1 : rot -138:sc= -3.77! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.389 K(o=-0.39,f=-0.98) USER MOD Single : A 28 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-0.81) USER MOD Single : A 36 SER OG : rot 168:sc= -2.74! USER MOD Single : A 37 TYR OH : rot 176:sc= 1.21 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.343 (180deg=-0.343) USER MOD Single : A 50 SER OG : rot -129:sc= 1.39 USER MOD Single : A 53 SER OG : rot 49:sc= 1.18 USER MOD Single : A 55 ASN : amide:sc= -0.0419 K(o=-0.042,f=-1.3!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.0868 K(o=0.087,f=-1.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 73 SER OG : rot -27:sc= 0.0832 USER MOD Single : A 74 SER OG : rot 26:sc= 0.793! USER MOD Single : A 76 ASN : amide:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 77 SER OG : rot -83:sc= 0.671 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -155:sc= -0.867 (180deg=-2.73!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.27! C(o=-7.3!,f=-4.3!) USER MOD Single : A 102 ASN : amide:sc= 0.323 K(o=0.32,f=-7.6!) USER MOD Single : A 103 HIS : no HE2:sc= -9.7! C(o=-9.7!,f=-12!) USER MOD Single : A 104 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-3.9!) USER MOD Single : A 106 HIS : no HD1:sc= -0.57 K(o=-0.57,f=-1.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -9:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 20.240 10.642 11.627 1.00 50.00 N ATOM 2 CA ASP A 1 20.058 9.583 10.593 1.00 50.00 C ATOM 3 C ASP A 1 18.656 8.975 10.699 1.00 50.00 C ATOM 4 O ASP A 1 18.019 8.688 9.706 1.00 50.00 O ATOM 5 CB ASP A 1 21.123 8.532 10.912 1.00 50.00 C ATOM 6 CG ASP A 1 22.003 8.308 9.681 1.00 50.00 C ATOM 7 OD1 ASP A 1 21.587 7.565 8.807 1.00 50.00 O ATOM 8 OD2 ASP A 1 23.078 8.882 9.634 1.00 50.00 O ATOM 0 H1 ASP A 1 21.154 11.116 11.481 1.00 50.00 H new ATOM 0 H2 ASP A 1 19.472 11.339 11.549 1.00 50.00 H new ATOM 0 H3 ASP A 1 20.221 10.210 12.573 1.00 50.00 H new ATOM 0 HA ASP A 1 20.159 9.973 9.580 1.00 50.00 H new ATOM 0 HB2 ASP A 1 21.733 8.861 11.753 1.00 50.00 H new ATOM 0 HB3 ASP A 1 20.649 7.596 11.208 1.00 50.00 H new ATOM 15 N LYS A 2 18.174 8.776 11.895 1.00 50.00 N ATOM 16 CA LYS A 2 16.814 8.186 12.061 1.00 50.00 C ATOM 17 C LYS A 2 15.856 9.222 12.654 1.00 50.00 C ATOM 18 O LYS A 2 16.194 9.940 13.575 1.00 50.00 O ATOM 19 CB LYS A 2 17.005 7.016 13.028 1.00 50.00 C ATOM 20 CG LYS A 2 16.152 5.831 12.570 1.00 50.00 C ATOM 21 CD LYS A 2 15.369 5.275 13.761 1.00 50.00 C ATOM 22 CE LYS A 2 14.155 4.493 13.254 1.00 50.00 C ATOM 23 NZ LYS A 2 14.666 3.120 12.986 1.00 50.00 N ATOM 0 H LYS A 2 18.662 8.996 12.764 1.00 50.00 H new ATOM 0 HA LYS A 2 16.385 7.865 11.112 1.00 50.00 H new ATOM 0 HB2 LYS A 2 18.056 6.729 13.065 1.00 50.00 H new ATOM 0 HB3 LYS A 2 16.720 7.314 14.037 1.00 50.00 H new ATOM 0 HG2 LYS A 2 15.465 6.146 11.785 1.00 50.00 H new ATOM 0 HG3 LYS A 2 16.788 5.054 12.145 1.00 50.00 H new ATOM 0 HD2 LYS A 2 16.009 4.626 14.359 1.00 50.00 H new ATOM 0 HD3 LYS A 2 15.045 6.089 14.409 1.00 50.00 H new ATOM 0 HE2 LYS A 2 13.356 4.479 13.996 1.00 50.00 H new ATOM 0 HE3 LYS A 2 13.744 4.944 12.351 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 13.890 2.523 12.635 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 15.420 3.164 12.271 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 15.045 2.713 13.865 1.00 50.00 H new ATOM 37 N LEU A 3 14.661 9.302 12.136 1.00 50.00 N ATOM 38 CA LEU A 3 13.680 10.290 12.671 1.00 50.00 C ATOM 39 C LEU A 3 13.000 9.729 13.924 1.00 50.00 C ATOM 40 O LEU A 3 12.707 8.552 14.007 1.00 50.00 O ATOM 41 CB LEU A 3 12.664 10.485 11.546 1.00 50.00 C ATOM 42 CG LEU A 3 11.864 11.764 11.797 1.00 50.00 C ATOM 43 CD1 LEU A 3 12.824 12.948 11.931 1.00 50.00 C ATOM 44 CD2 LEU A 3 10.915 12.009 10.623 1.00 50.00 C ATOM 0 H LEU A 3 14.321 8.726 11.366 1.00 50.00 H new ATOM 0 HA LEU A 3 14.150 11.230 12.960 1.00 50.00 H new ATOM 0 HB2 LEU A 3 13.176 10.546 10.586 1.00 50.00 H new ATOM 0 HB3 LEU A 3 11.993 9.628 11.495 1.00 50.00 H new ATOM 0 HG LEU A 3 11.287 11.658 12.716 1.00 50.00 H new ATOM 0 HD11 LEU A 3 12.254 13.860 12.110 1.00 50.00 H new ATOM 0 HD12 LEU A 3 13.502 12.774 12.767 1.00 50.00 H new ATOM 0 HD13 LEU A 3 13.401 13.055 11.012 1.00 50.00 H new ATOM 0 HD21 LEU A 3 10.344 12.920 10.801 1.00 50.00 H new ATOM 0 HD22 LEU A 3 11.492 12.116 9.705 1.00 50.00 H new ATOM 0 HD23 LEU A 3 10.231 11.166 10.526 1.00 50.00 H new ATOM 56 N ALA A 4 12.747 10.559 14.899 1.00 50.00 N ATOM 57 CA ALA A 4 12.091 10.068 16.145 1.00 50.00 C ATOM 58 C ALA A 4 10.701 10.692 16.299 1.00 50.00 C ATOM 59 O ALA A 4 10.456 11.801 15.869 1.00 50.00 O ATOM 60 CB ALA A 4 13.010 10.518 17.280 1.00 50.00 C ATOM 0 H ALA A 4 12.966 11.555 14.887 1.00 50.00 H new ATOM 0 HA ALA A 4 11.951 8.987 16.137 1.00 50.00 H new ATOM 0 HB1 ALA A 4 12.595 10.194 18.234 1.00 50.00 H new ATOM 0 HB2 ALA A 4 13.998 10.077 17.145 1.00 50.00 H new ATOM 0 HB3 ALA A 4 13.094 11.605 17.271 1.00 50.00 H new ATOM 66 N LEU A 5 9.791 9.986 16.913 1.00 50.00 N ATOM 67 CA LEU A 5 8.417 10.535 17.097 1.00 50.00 C ATOM 68 C LEU A 5 8.157 10.832 18.577 1.00 50.00 C ATOM 69 O LEU A 5 8.208 9.953 19.414 1.00 50.00 O ATOM 70 CB LEU A 5 7.481 9.433 16.600 1.00 50.00 C ATOM 71 CG LEU A 5 7.857 9.054 15.168 1.00 50.00 C ATOM 72 CD1 LEU A 5 7.369 7.634 14.872 1.00 50.00 C ATOM 73 CD2 LEU A 5 7.197 10.032 14.194 1.00 50.00 C ATOM 0 H LEU A 5 9.940 9.052 17.295 1.00 50.00 H new ATOM 0 HA LEU A 5 8.271 11.470 16.556 1.00 50.00 H new ATOM 0 HB2 LEU A 5 7.552 8.560 17.249 1.00 50.00 H new ATOM 0 HB3 LEU A 5 6.447 9.775 16.638 1.00 50.00 H new ATOM 0 HG LEU A 5 8.940 9.098 15.052 1.00 50.00 H new ATOM 0 HD11 LEU A 5 7.637 7.363 13.851 1.00 50.00 H new ATOM 0 HD12 LEU A 5 7.836 6.936 15.567 1.00 50.00 H new ATOM 0 HD13 LEU A 5 6.286 7.590 14.987 1.00 50.00 H new ATOM 0 HD21 LEU A 5 7.464 9.763 13.172 1.00 50.00 H new ATOM 0 HD22 LEU A 5 6.114 9.986 14.310 1.00 50.00 H new ATOM 0 HD23 LEU A 5 7.542 11.044 14.405 1.00 50.00 H new ATOM 85 N LYS A 6 7.875 12.063 18.904 1.00 50.00 N ATOM 86 CA LYS A 6 7.608 12.413 20.328 1.00 50.00 C ATOM 87 C LYS A 6 6.100 12.536 20.564 1.00 50.00 C ATOM 88 O LYS A 6 5.301 12.186 19.719 1.00 50.00 O ATOM 89 CB LYS A 6 8.298 13.760 20.540 1.00 50.00 C ATOM 90 CG LYS A 6 9.703 13.711 19.937 1.00 50.00 C ATOM 91 CD LYS A 6 10.708 14.296 20.931 1.00 50.00 C ATOM 92 CE LYS A 6 12.094 14.351 20.284 1.00 50.00 C ATOM 93 NZ LYS A 6 12.974 14.969 21.313 1.00 50.00 N ATOM 0 H LYS A 6 7.818 12.841 18.247 1.00 50.00 H new ATOM 0 HA LYS A 6 7.977 11.655 21.019 1.00 50.00 H new ATOM 0 HB2 LYS A 6 7.718 14.556 20.073 1.00 50.00 H new ATOM 0 HB3 LYS A 6 8.355 13.989 21.604 1.00 50.00 H new ATOM 0 HG2 LYS A 6 9.971 12.682 19.696 1.00 50.00 H new ATOM 0 HG3 LYS A 6 9.729 14.274 19.004 1.00 50.00 H new ATOM 0 HD2 LYS A 6 10.396 15.296 21.233 1.00 50.00 H new ATOM 0 HD3 LYS A 6 10.740 13.686 21.833 1.00 50.00 H new ATOM 0 HE2 LYS A 6 12.443 13.355 20.013 1.00 50.00 H new ATOM 0 HE3 LYS A 6 12.080 14.944 19.369 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 13.943 15.041 20.943 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 12.621 15.919 21.546 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 12.973 14.379 22.170 1.00 50.00 H new ATOM 107 N GLY A 7 5.705 13.027 21.706 1.00 50.00 N ATOM 108 CA GLY A 7 4.250 13.169 21.990 1.00 50.00 C ATOM 109 C GLY A 7 3.783 14.569 21.587 1.00 50.00 C ATOM 110 O GLY A 7 2.764 15.048 22.042 1.00 50.00 O ATOM 0 H GLY A 7 6.326 13.336 22.454 1.00 50.00 H new ATOM 0 HA2 GLY A 7 3.687 12.415 21.441 1.00 50.00 H new ATOM 0 HA3 GLY A 7 4.058 13.002 23.050 1.00 50.00 H new ATOM 114 N THR A 8 4.521 15.228 20.735 1.00 50.00 N ATOM 115 CA THR A 8 4.118 16.596 20.305 1.00 50.00 C ATOM 116 C THR A 8 3.104 16.513 19.162 1.00 50.00 C ATOM 117 O THR A 8 2.977 15.499 18.504 1.00 50.00 O ATOM 118 CB THR A 8 5.410 17.261 19.827 1.00 50.00 C ATOM 119 OG1 THR A 8 5.909 16.563 18.695 1.00 50.00 O ATOM 120 CG2 THR A 8 6.448 17.228 20.950 1.00 50.00 C ATOM 0 H THR A 8 5.384 14.878 20.319 1.00 50.00 H new ATOM 0 HA THR A 8 3.645 17.158 21.110 1.00 50.00 H new ATOM 0 HB THR A 8 5.207 18.297 19.554 1.00 50.00 H new ATOM 0 HG1 THR A 8 6.736 16.989 18.386 1.00 50.00 H new ATOM 0 HG21 THR A 8 7.368 17.702 20.609 1.00 50.00 H new ATOM 0 HG22 THR A 8 6.063 17.765 21.817 1.00 50.00 H new ATOM 0 HG23 THR A 8 6.653 16.194 21.226 1.00 50.00 H new ATOM 128 N THR A 9 2.380 17.571 18.920 1.00 50.00 N ATOM 129 CA THR A 9 1.374 17.552 17.821 1.00 50.00 C ATOM 130 C THR A 9 2.077 17.593 16.461 1.00 50.00 C ATOM 131 O THR A 9 3.268 17.817 16.374 1.00 50.00 O ATOM 132 CB THR A 9 0.535 18.814 18.030 1.00 50.00 C ATOM 133 OG1 THR A 9 -0.617 18.757 17.201 1.00 50.00 O ATOM 134 CG2 THR A 9 1.365 20.047 17.673 1.00 50.00 C ATOM 0 H THR A 9 2.442 18.449 19.436 1.00 50.00 H new ATOM 0 HA THR A 9 0.763 16.650 17.835 1.00 50.00 H new ATOM 0 HB THR A 9 0.228 18.878 19.074 1.00 50.00 H new ATOM 0 HG1 THR A 9 -1.157 19.564 17.335 1.00 50.00 H new ATOM 0 HG21 THR A 9 0.765 20.945 17.823 1.00 50.00 H new ATOM 0 HG22 THR A 9 2.247 20.089 18.312 1.00 50.00 H new ATOM 0 HG23 THR A 9 1.675 19.987 16.630 1.00 50.00 H new ATOM 142 N TYR A 10 1.351 17.375 15.399 1.00 50.00 N ATOM 143 CA TYR A 10 1.981 17.401 14.049 1.00 50.00 C ATOM 144 C TYR A 10 0.939 17.756 12.984 1.00 50.00 C ATOM 145 O TYR A 10 -0.227 17.927 13.277 1.00 50.00 O ATOM 146 CB TYR A 10 2.506 15.983 13.830 1.00 50.00 C ATOM 147 CG TYR A 10 3.936 16.043 13.349 1.00 50.00 C ATOM 148 CD1 TYR A 10 4.981 16.149 14.274 1.00 50.00 C ATOM 149 CD2 TYR A 10 4.216 15.990 11.978 1.00 50.00 C ATOM 150 CE1 TYR A 10 6.307 16.204 13.828 1.00 50.00 C ATOM 151 CE2 TYR A 10 5.543 16.045 11.533 1.00 50.00 C ATOM 152 CZ TYR A 10 6.587 16.152 12.457 1.00 50.00 C ATOM 153 OH TYR A 10 7.895 16.206 12.017 1.00 49.57 O ATOM 0 H TYR A 10 0.350 17.180 15.408 1.00 50.00 H new ATOM 0 HA TYR A 10 2.774 18.146 13.979 1.00 50.00 H new ATOM 0 HB2 TYR A 10 2.447 15.415 14.758 1.00 50.00 H new ATOM 0 HB3 TYR A 10 1.887 15.464 13.099 1.00 50.00 H new ATOM 0 HD1 TYR A 10 4.765 16.188 15.331 1.00 50.00 H new ATOM 0 HD2 TYR A 10 3.410 15.907 11.264 1.00 50.00 H new ATOM 0 HE1 TYR A 10 7.114 16.287 14.541 1.00 50.00 H new ATOM 0 HE2 TYR A 10 5.760 16.005 10.476 1.00 50.00 H new ATOM 0 HH TYR A 10 7.913 16.157 11.038 1.00 49.57 H new ATOM 163 N GLY A 11 1.353 17.869 11.752 1.00 50.00 N ATOM 164 CA GLY A 11 0.386 18.211 10.670 1.00 50.00 C ATOM 165 C GLY A 11 0.005 16.943 9.906 1.00 50.00 C ATOM 166 O GLY A 11 0.769 16.430 9.113 1.00 50.00 O ATOM 0 H GLY A 11 2.318 17.740 11.448 1.00 50.00 H new ATOM 0 HA2 GLY A 11 -0.505 18.673 11.096 1.00 50.00 H new ATOM 0 HA3 GLY A 11 0.828 18.939 9.990 1.00 50.00 H new ATOM 170 N MET A 12 -1.172 16.434 10.139 1.00 50.00 N ATOM 171 CA MET A 12 -1.609 15.199 9.430 1.00 50.00 C ATOM 172 C MET A 12 -2.491 15.566 8.232 1.00 50.00 C ATOM 173 O MET A 12 -3.679 15.781 8.371 1.00 50.00 O ATOM 174 CB MET A 12 -2.416 14.424 10.471 1.00 50.00 C ATOM 175 CG MET A 12 -1.477 13.544 11.298 1.00 50.00 C ATOM 176 SD MET A 12 -1.942 13.643 13.045 1.00 50.00 S ATOM 177 CE MET A 12 -0.444 14.473 13.631 1.00 50.00 C ATOM 0 H MET A 12 -1.853 16.821 10.792 1.00 50.00 H new ATOM 0 HA MET A 12 -0.772 14.619 9.042 1.00 50.00 H new ATOM 0 HB2 MET A 12 -2.949 15.117 11.122 1.00 50.00 H new ATOM 0 HB3 MET A 12 -3.168 13.808 9.978 1.00 50.00 H new ATOM 0 HG2 MET A 12 -1.532 12.511 10.954 1.00 50.00 H new ATOM 0 HG3 MET A 12 -0.445 13.870 11.166 1.00 50.00 H new ATOM 0 HE1 MET A 12 -0.617 14.874 14.630 1.00 50.00 H new ATOM 0 HE2 MET A 12 0.379 13.759 13.664 1.00 50.00 H new ATOM 0 HE3 MET A 12 -0.190 15.287 12.952 1.00 50.00 H new ATOM 187 N CYS A 13 -1.926 15.637 7.056 1.00 99.99 N ATOM 188 CA CYS A 13 -2.750 15.988 5.863 1.00 99.99 C ATOM 189 C CYS A 13 -2.198 15.310 4.601 1.00 99.99 C ATOM 190 O CYS A 13 -1.175 15.685 4.069 1.00 99.99 O ATOM 191 CB CYS A 13 -2.661 17.519 5.769 1.00 99.99 C ATOM 192 SG CYS A 13 -1.076 18.037 5.049 1.00 99.99 S ATOM 0 H CYS A 13 -0.937 15.469 6.871 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.782 15.648 5.952 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -3.482 17.898 5.160 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.773 17.955 6.762 1.00 99.99 H new ATOM 197 N THR A 14 -2.877 14.311 4.108 1.00 99.99 N ATOM 198 CA THR A 14 -2.385 13.618 2.882 1.00 99.99 C ATOM 199 C THR A 14 -3.519 12.835 2.218 1.00 99.99 C ATOM 200 O THR A 14 -3.301 11.804 1.615 1.00 99.99 O ATOM 201 CB THR A 14 -1.292 12.666 3.374 1.00 99.99 C ATOM 202 OG1 THR A 14 -1.047 12.900 4.755 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.007 12.904 2.580 1.00 99.99 C ATOM 0 H THR A 14 -3.746 13.946 4.498 1.00 99.99 H new ATOM 0 HA THR A 14 -2.010 14.320 2.138 1.00 99.99 H new ATOM 0 HB THR A 14 -1.618 11.636 3.231 1.00 99.99 H new ATOM 0 HG1 THR A 14 -0.082 12.883 4.923 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.769 12.225 2.932 1.00 99.99 H new ATOM 0 HG22 THR A 14 -0.194 12.723 1.522 1.00 99.99 H new ATOM 0 HG23 THR A 14 0.321 13.934 2.719 1.00 99.99 H new ATOM 211 N GLU A 15 -4.728 13.312 2.323 1.00 99.99 N ATOM 212 CA GLU A 15 -5.869 12.587 1.695 1.00 99.99 C ATOM 213 C GLU A 15 -5.797 12.712 0.170 1.00 99.99 C ATOM 214 O GLU A 15 -6.629 12.191 -0.545 1.00 99.99 O ATOM 215 CB GLU A 15 -7.123 13.277 2.233 1.00 99.99 C ATOM 216 CG GLU A 15 -8.343 12.390 1.975 1.00 99.99 C ATOM 217 CD GLU A 15 -8.993 12.789 0.648 1.00 99.99 C ATOM 218 OE1 GLU A 15 -9.046 13.975 0.370 1.00 99.99 O ATOM 219 OE2 GLU A 15 -9.426 11.899 -0.067 1.00 99.99 O ATOM 0 H GLU A 15 -4.976 14.170 2.815 1.00 99.99 H new ATOM 0 HA GLU A 15 -5.861 11.522 1.927 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -7.017 13.466 3.301 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.255 14.245 1.749 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -8.044 11.342 1.945 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -9.060 12.494 2.789 1.00 99.99 H new ATOM 226 N LYS A 16 -4.809 13.402 -0.332 1.00 50.00 N ATOM 227 CA LYS A 16 -4.685 13.563 -1.810 1.00 50.00 C ATOM 228 C LYS A 16 -3.883 12.401 -2.409 1.00 50.00 C ATOM 229 O LYS A 16 -2.836 12.595 -2.995 1.00 50.00 O ATOM 230 CB LYS A 16 -3.941 14.884 -1.999 1.00 50.00 C ATOM 231 CG LYS A 16 -4.559 15.953 -1.095 1.00 50.00 C ATOM 232 CD LYS A 16 -5.080 17.109 -1.952 1.00 50.00 C ATOM 233 CE LYS A 16 -4.588 18.438 -1.373 1.00 50.00 C ATOM 234 NZ LYS A 16 -5.775 19.021 -0.688 1.00 50.00 N ATOM 0 H LYS A 16 -4.082 13.861 0.217 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.654 13.564 -2.308 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.885 14.756 -1.760 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.996 15.198 -3.041 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -5.373 15.524 -0.511 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -3.816 16.318 -0.386 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -4.734 16.998 -2.980 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -6.170 17.093 -1.979 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -3.765 18.284 -0.675 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -4.221 19.099 -2.158 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -5.517 19.935 -0.265 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -6.540 19.162 -1.379 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -6.098 18.373 0.058 1.00 50.00 H new ATOM 248 N PHE A 17 -4.371 11.198 -2.274 1.00 50.00 N ATOM 249 CA PHE A 17 -3.642 10.026 -2.842 1.00 50.00 C ATOM 250 C PHE A 17 -4.189 9.697 -4.234 1.00 50.00 C ATOM 251 O PHE A 17 -5.362 9.868 -4.505 1.00 50.00 O ATOM 252 CB PHE A 17 -3.916 8.880 -1.866 1.00 50.00 C ATOM 253 CG PHE A 17 -2.646 8.542 -1.124 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.853 9.567 -0.594 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.259 7.206 -0.970 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.673 9.254 0.092 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.080 6.894 -0.285 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.286 7.918 0.246 1.00 50.00 C ATOM 0 H PHE A 17 -5.243 10.975 -1.795 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.574 10.212 -2.956 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.697 9.166 -1.162 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.279 8.006 -2.406 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -2.151 10.598 -0.714 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -2.871 6.416 -1.380 1.00 50.00 H new ATOM 0 HE1 PHE A 17 -0.061 10.044 0.502 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -0.782 5.863 -0.166 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.625 7.677 0.774 1.00 50.00 H new ATOM 268 N SER A 18 -3.353 9.234 -5.124 1.00 50.00 N ATOM 269 CA SER A 18 -3.838 8.907 -6.497 1.00 50.00 C ATOM 270 C SER A 18 -3.442 7.480 -6.884 1.00 50.00 C ATOM 271 O SER A 18 -2.323 7.224 -7.281 1.00 50.00 O ATOM 272 CB SER A 18 -3.148 9.919 -7.412 1.00 50.00 C ATOM 273 OG SER A 18 -3.669 11.217 -7.156 1.00 50.00 O ATOM 0 H SER A 18 -2.360 9.068 -4.962 1.00 50.00 H new ATOM 0 HA SER A 18 -4.924 8.961 -6.569 1.00 50.00 H new ATOM 0 HB2 SER A 18 -2.072 9.907 -7.241 1.00 50.00 H new ATOM 0 HB3 SER A 18 -3.308 9.650 -8.456 1.00 50.00 H new ATOM 0 HG SER A 18 -3.227 11.868 -7.740 1.00 50.00 H new ATOM 279 N PHE A 19 -4.352 6.550 -6.781 1.00 50.00 N ATOM 280 CA PHE A 19 -4.021 5.142 -7.153 1.00 50.00 C ATOM 281 C PHE A 19 -3.531 5.090 -8.603 1.00 50.00 C ATOM 282 O PHE A 19 -4.265 5.381 -9.526 1.00 50.00 O ATOM 283 CB PHE A 19 -5.330 4.363 -7.003 1.00 50.00 C ATOM 284 CG PHE A 19 -6.028 4.773 -5.727 1.00 50.00 C ATOM 285 CD1 PHE A 19 -5.546 4.329 -4.490 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.158 5.598 -5.782 1.00 50.00 C ATOM 287 CE1 PHE A 19 -6.194 4.708 -3.308 1.00 50.00 C ATOM 288 CE2 PHE A 19 -7.806 5.978 -4.600 1.00 50.00 C ATOM 289 CZ PHE A 19 -7.324 5.532 -3.362 1.00 50.00 C ATOM 0 H PHE A 19 -5.307 6.702 -6.457 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.232 4.725 -6.528 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.977 4.553 -7.859 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -5.127 3.292 -6.989 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -4.674 3.694 -4.447 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.530 5.941 -6.736 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -5.822 4.364 -2.354 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.677 6.615 -4.643 1.00 50.00 H new ATOM 0 HZ PHE A 19 -7.824 5.824 -2.450 1.00 50.00 H new ATOM 299 N ALA A 20 -2.295 4.726 -8.810 1.00 50.00 N ATOM 300 CA ALA A 20 -1.759 4.663 -10.202 1.00 50.00 C ATOM 301 C ALA A 20 -1.694 3.211 -10.686 1.00 50.00 C ATOM 302 O ALA A 20 -1.764 2.940 -11.868 1.00 50.00 O ATOM 303 CB ALA A 20 -0.354 5.259 -10.112 1.00 50.00 C ATOM 0 H ALA A 20 -1.633 4.470 -8.078 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.389 5.203 -10.909 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.109 5.249 -11.099 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.417 6.286 -9.751 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.248 4.668 -9.422 1.00 50.00 H new ATOM 309 N LYS A 21 -1.559 2.276 -9.785 1.00 50.00 N ATOM 310 CA LYS A 21 -1.489 0.846 -10.204 1.00 50.00 C ATOM 311 C LYS A 21 -2.163 -0.045 -9.159 1.00 50.00 C ATOM 312 O LYS A 21 -2.203 0.275 -7.987 1.00 50.00 O ATOM 313 CB LYS A 21 0.006 0.531 -10.294 1.00 50.00 C ATOM 314 CG LYS A 21 0.735 1.701 -10.960 1.00 50.00 C ATOM 315 CD LYS A 21 2.101 1.232 -11.466 1.00 50.00 C ATOM 316 CE LYS A 21 3.129 2.346 -11.258 1.00 50.00 C ATOM 317 NZ LYS A 21 3.758 2.544 -12.595 1.00 50.00 N ATOM 0 H LYS A 21 -1.494 2.439 -8.780 1.00 50.00 H new ATOM 0 HA LYS A 21 -2.000 0.668 -11.150 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.412 0.355 -9.298 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.162 -0.383 -10.868 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.142 2.088 -11.789 1.00 50.00 H new ATOM 0 HG3 LYS A 21 0.860 2.517 -10.249 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.410 0.333 -10.933 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.040 0.971 -12.522 1.00 50.00 H new ATOM 0 HE2 LYS A 21 2.653 3.261 -10.906 1.00 50.00 H new ATOM 0 HE3 LYS A 21 3.871 2.064 -10.511 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 4.476 3.294 -12.533 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 4.209 1.658 -12.901 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 3.029 2.818 -13.284 1.00 50.00 H new ATOM 331 N ASN A 22 -2.695 -1.162 -9.574 1.00 50.00 N ATOM 332 CA ASN A 22 -3.366 -2.073 -8.603 1.00 50.00 C ATOM 333 C ASN A 22 -2.338 -2.665 -7.635 1.00 50.00 C ATOM 334 O ASN A 22 -1.170 -2.763 -7.953 1.00 50.00 O ATOM 335 CB ASN A 22 -3.994 -3.173 -9.459 1.00 50.00 C ATOM 336 CG ASN A 22 -2.891 -3.973 -10.153 1.00 50.00 C ATOM 337 OD1 ASN A 22 -2.281 -4.837 -9.553 1.00 50.00 O ATOM 338 ND2 ASN A 22 -2.605 -3.722 -11.402 1.00 50.00 N ATOM 0 H ASN A 22 -2.694 -1.483 -10.542 1.00 50.00 H new ATOM 0 HA ASN A 22 -4.110 -1.555 -7.997 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -4.599 -3.832 -8.836 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -4.661 -2.735 -10.201 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -1.871 -4.250 -11.873 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -3.116 -2.998 -11.907 1.00 50.00 H new ATOM 345 N PRO A 23 -2.815 -3.039 -6.481 1.00 50.00 N ATOM 346 CA PRO A 23 -1.932 -3.631 -5.446 1.00 50.00 C ATOM 347 C PRO A 23 -1.535 -5.058 -5.835 1.00 50.00 C ATOM 348 O PRO A 23 -2.331 -5.811 -6.360 1.00 50.00 O ATOM 349 CB PRO A 23 -2.801 -3.629 -4.193 1.00 50.00 C ATOM 350 CG PRO A 23 -4.211 -3.640 -4.696 1.00 50.00 C ATOM 351 CD PRO A 23 -4.209 -2.949 -6.035 1.00 50.00 C ATOM 0 HA PRO A 23 -0.999 -3.084 -5.312 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.598 -4.501 -3.571 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.608 -2.748 -3.581 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -4.578 -4.662 -4.790 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.873 -3.127 -3.999 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.885 -3.438 -6.737 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.534 -1.912 -5.949 1.00 50.00 H new ATOM 359 N ALA A 24 -0.312 -5.435 -5.581 1.00 50.00 N ATOM 360 CA ALA A 24 0.129 -6.816 -5.937 1.00 50.00 C ATOM 361 C ALA A 24 1.152 -7.326 -4.918 1.00 50.00 C ATOM 362 O ALA A 24 1.663 -6.579 -4.108 1.00 50.00 O ATOM 363 CB ALA A 24 0.770 -6.683 -7.320 1.00 50.00 C ATOM 0 H ALA A 24 0.400 -4.850 -5.144 1.00 50.00 H new ATOM 0 HA ALA A 24 -0.698 -7.526 -5.937 1.00 50.00 H new ATOM 0 HB1 ALA A 24 1.121 -7.659 -7.654 1.00 50.00 H new ATOM 0 HB2 ALA A 24 0.034 -6.301 -8.027 1.00 50.00 H new ATOM 0 HB3 ALA A 24 1.612 -5.993 -7.266 1.00 50.00 H new ATOM 369 N ASP A 25 1.453 -8.597 -4.953 1.00 50.00 N ATOM 370 CA ASP A 25 2.441 -9.155 -3.985 1.00 50.00 C ATOM 371 C ASP A 25 3.859 -9.056 -4.555 1.00 50.00 C ATOM 372 O ASP A 25 4.056 -9.024 -5.753 1.00 50.00 O ATOM 373 CB ASP A 25 2.035 -10.618 -3.805 1.00 50.00 C ATOM 374 CG ASP A 25 2.641 -11.160 -2.509 1.00 50.00 C ATOM 375 OD1 ASP A 25 2.002 -11.025 -1.478 1.00 50.00 O ATOM 376 OD2 ASP A 25 3.732 -11.702 -2.570 1.00 50.00 O ATOM 0 H ASP A 25 1.058 -9.271 -5.609 1.00 50.00 H new ATOM 0 HA ASP A 25 2.443 -8.613 -3.039 1.00 50.00 H new ATOM 0 HB2 ASP A 25 0.949 -10.704 -3.775 1.00 50.00 H new ATOM 0 HB3 ASP A 25 2.378 -11.209 -4.654 1.00 50.00 H new ATOM 381 N THR A 26 4.847 -9.011 -3.704 1.00 50.00 N ATOM 382 CA THR A 26 6.253 -8.915 -4.195 1.00 50.00 C ATOM 383 C THR A 26 7.108 -10.016 -3.560 1.00 50.00 C ATOM 384 O THR A 26 7.841 -10.712 -4.234 1.00 50.00 O ATOM 385 CB THR A 26 6.739 -7.535 -3.746 1.00 50.00 C ATOM 386 OG1 THR A 26 5.702 -6.878 -3.029 1.00 50.00 O ATOM 387 CG2 THR A 26 7.119 -6.702 -4.971 1.00 50.00 C ATOM 0 H THR A 26 4.743 -9.036 -2.690 1.00 50.00 H new ATOM 0 HA THR A 26 6.322 -9.039 -5.276 1.00 50.00 H new ATOM 0 HB THR A 26 7.611 -7.650 -3.102 1.00 50.00 H new ATOM 0 HG1 THR A 26 6.059 -6.070 -2.605 1.00 50.00 H new ATOM 0 HG21 THR A 26 7.465 -5.719 -4.650 1.00 50.00 H new ATOM 0 HG22 THR A 26 7.915 -7.205 -5.521 1.00 50.00 H new ATOM 0 HG23 THR A 26 6.249 -6.587 -5.617 1.00 50.00 H new ATOM 395 N GLY A 27 7.017 -10.177 -2.269 1.00 50.00 N ATOM 396 CA GLY A 27 7.823 -11.231 -1.591 1.00 50.00 C ATOM 397 C GLY A 27 6.887 -12.278 -0.987 1.00 50.00 C ATOM 398 O GLY A 27 6.371 -13.136 -1.676 1.00 50.00 O ATOM 0 H GLY A 27 6.419 -9.624 -1.654 1.00 50.00 H new ATOM 0 HA2 GLY A 27 8.500 -11.701 -2.304 1.00 50.00 H new ATOM 0 HA3 GLY A 27 8.440 -10.786 -0.811 1.00 50.00 H new ATOM 402 N HIS A 28 6.662 -12.215 0.296 1.00 50.00 N ATOM 403 CA HIS A 28 5.758 -13.206 0.944 1.00 50.00 C ATOM 404 C HIS A 28 4.767 -12.493 1.870 1.00 50.00 C ATOM 405 O HIS A 28 5.055 -12.237 3.021 1.00 50.00 O ATOM 406 CB HIS A 28 6.683 -14.116 1.751 1.00 50.00 C ATOM 407 CG HIS A 28 7.706 -14.730 0.834 1.00 50.00 C ATOM 408 ND1 HIS A 28 8.943 -14.147 0.610 1.00 50.00 N ATOM 409 CD2 HIS A 28 7.686 -15.874 0.074 1.00 50.00 C ATOM 410 CE1 HIS A 28 9.611 -14.935 -0.252 1.00 50.00 C ATOM 411 NE2 HIS A 28 8.891 -16.001 -0.611 1.00 50.00 N ATOM 0 H HIS A 28 7.065 -11.520 0.924 1.00 50.00 H new ATOM 0 HA HIS A 28 5.168 -13.764 0.217 1.00 50.00 H new ATOM 0 HB2 HIS A 28 7.179 -13.545 2.536 1.00 50.00 H new ATOM 0 HB3 HIS A 28 6.104 -14.898 2.243 1.00 50.00 H new ATOM 0 HD2 HIS A 28 6.861 -16.569 0.017 1.00 50.00 H new ATOM 0 HE1 HIS A 28 10.609 -14.730 -0.610 1.00 50.00 H new ATOM 0 HE2 HIS A 28 9.165 -16.748 -1.250 1.00 50.00 H new ATOM 419 N GLY A 29 3.603 -12.173 1.375 1.00 50.00 N ATOM 420 CA GLY A 29 2.598 -11.477 2.229 1.00 50.00 C ATOM 421 C GLY A 29 2.850 -9.969 2.191 1.00 50.00 C ATOM 422 O GLY A 29 2.410 -9.236 3.055 1.00 50.00 O ATOM 0 H GLY A 29 3.304 -12.363 0.418 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.591 -11.697 1.875 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.662 -11.841 3.254 1.00 50.00 H new ATOM 426 N THR A 30 3.553 -9.499 1.197 1.00 50.00 N ATOM 427 CA THR A 30 3.830 -8.036 1.105 1.00 50.00 C ATOM 428 C THR A 30 3.159 -7.446 -0.138 1.00 50.00 C ATOM 429 O THR A 30 3.583 -7.677 -1.253 1.00 50.00 O ATOM 430 CB THR A 30 5.353 -7.924 0.996 1.00 50.00 C ATOM 431 OG1 THR A 30 5.790 -8.548 -0.204 1.00 50.00 O ATOM 432 CG2 THR A 30 6.008 -8.610 2.197 1.00 50.00 C ATOM 0 H THR A 30 3.948 -10.064 0.445 1.00 50.00 H new ATOM 0 HA THR A 30 3.442 -7.490 1.965 1.00 50.00 H new ATOM 0 HB THR A 30 5.637 -6.872 0.983 1.00 50.00 H new ATOM 0 HG1 THR A 30 5.217 -8.266 -0.947 1.00 50.00 H new ATOM 0 HG21 THR A 30 7.092 -8.528 2.116 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.675 -8.129 3.117 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.724 -9.662 2.215 1.00 50.00 H new ATOM 440 N VAL A 31 2.115 -6.685 0.045 1.00 50.00 N ATOM 441 CA VAL A 31 1.418 -6.082 -1.120 1.00 50.00 C ATOM 442 C VAL A 31 2.099 -4.770 -1.522 1.00 50.00 C ATOM 443 O VAL A 31 2.566 -4.022 -0.686 1.00 50.00 O ATOM 444 CB VAL A 31 -0.008 -5.822 -0.638 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.813 -5.159 -1.757 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.666 -7.150 -0.255 1.00 50.00 C ATOM 0 H VAL A 31 1.715 -6.456 0.955 1.00 50.00 H new ATOM 0 HA VAL A 31 1.439 -6.731 -1.995 1.00 50.00 H new ATOM 0 HB VAL A 31 0.017 -5.164 0.230 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.830 -4.974 -1.413 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.345 -4.214 -2.031 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.838 -5.817 -2.626 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.684 -6.966 0.089 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -0.690 -7.808 -1.124 1.00 50.00 H new ATOM 0 HG23 VAL A 31 -0.093 -7.623 0.543 1.00 50.00 H new ATOM 456 N VAL A 32 2.160 -4.485 -2.794 1.00 50.00 N ATOM 457 CA VAL A 32 2.814 -3.222 -3.243 1.00 50.00 C ATOM 458 C VAL A 32 1.856 -2.405 -4.113 1.00 50.00 C ATOM 459 O VAL A 32 1.018 -2.944 -4.810 1.00 50.00 O ATOM 460 CB VAL A 32 4.033 -3.660 -4.060 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.300 -3.469 -3.226 1.00 50.00 C ATOM 462 CG2 VAL A 32 3.898 -5.136 -4.449 1.00 50.00 C ATOM 0 H VAL A 32 1.786 -5.070 -3.541 1.00 50.00 H new ATOM 0 HA VAL A 32 3.097 -2.592 -2.400 1.00 50.00 H new ATOM 0 HB VAL A 32 4.094 -3.055 -4.964 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.168 -3.781 -3.807 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.402 -2.418 -2.955 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.234 -4.072 -2.320 1.00 50.00 H new ATOM 0 HG21 VAL A 32 4.769 -5.440 -5.030 1.00 50.00 H new ATOM 0 HG22 VAL A 32 3.832 -5.745 -3.548 1.00 50.00 H new ATOM 0 HG23 VAL A 32 2.997 -5.274 -5.047 1.00 50.00 H new ATOM 472 N ILE A 33 1.978 -1.106 -4.080 1.00 50.00 N ATOM 473 CA ILE A 33 1.082 -0.245 -4.904 1.00 50.00 C ATOM 474 C ILE A 33 1.790 1.069 -5.244 1.00 50.00 C ATOM 475 O ILE A 33 2.779 1.425 -4.635 1.00 50.00 O ATOM 476 CB ILE A 33 -0.142 0.013 -4.024 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.179 0.810 -4.817 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.277 0.810 -2.787 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.576 0.257 -4.531 1.00 50.00 C ATOM 0 H ILE A 33 2.662 -0.602 -3.516 1.00 50.00 H new ATOM 0 HA ILE A 33 0.808 -0.714 -5.849 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.574 -0.938 -3.713 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.130 1.864 -4.543 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -0.963 0.748 -5.884 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.595 0.994 -2.160 1.00 50.00 H new ATOM 0 HG22 ILE A 33 1.017 0.243 -2.222 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.708 1.762 -3.096 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.315 0.825 -5.096 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.620 -0.791 -4.827 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.790 0.342 -3.466 1.00 50.00 H new ATOM 491 N GLU A 34 1.300 1.790 -6.215 1.00 50.00 N ATOM 492 CA GLU A 34 1.957 3.076 -6.588 1.00 50.00 C ATOM 493 C GLU A 34 0.916 4.191 -6.722 1.00 50.00 C ATOM 494 O GLU A 34 0.224 4.289 -7.714 1.00 50.00 O ATOM 495 CB GLU A 34 2.625 2.804 -7.935 1.00 50.00 C ATOM 496 CG GLU A 34 3.526 3.984 -8.307 1.00 50.00 C ATOM 497 CD GLU A 34 4.986 3.617 -8.035 1.00 50.00 C ATOM 498 OE1 GLU A 34 5.367 3.607 -6.876 1.00 50.00 O ATOM 499 OE2 GLU A 34 5.697 3.352 -8.990 1.00 50.00 O ATOM 0 H GLU A 34 0.476 1.546 -6.765 1.00 50.00 H new ATOM 0 HA GLU A 34 2.673 3.403 -5.834 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.212 1.887 -7.883 1.00 50.00 H new ATOM 0 HB3 GLU A 34 1.868 2.654 -8.705 1.00 50.00 H new ATOM 0 HG2 GLU A 34 3.394 4.239 -9.359 1.00 50.00 H new ATOM 0 HG3 GLU A 34 3.247 4.865 -7.728 1.00 50.00 H new ATOM 506 N LEU A 35 0.811 5.038 -5.736 1.00 50.00 N ATOM 507 CA LEU A 35 -0.176 6.156 -5.812 1.00 50.00 C ATOM 508 C LEU A 35 0.568 7.487 -5.741 1.00 50.00 C ATOM 509 O LEU A 35 1.506 7.636 -4.991 1.00 50.00 O ATOM 510 CB LEU A 35 -1.087 5.984 -4.595 1.00 50.00 C ATOM 511 CG LEU A 35 -1.266 4.497 -4.291 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.092 4.013 -3.440 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.573 4.285 -3.525 1.00 50.00 C ATOM 0 H LEU A 35 1.365 5.006 -4.880 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.750 6.145 -6.739 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.657 6.492 -3.732 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.056 6.445 -4.786 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.299 3.934 -5.224 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.215 2.952 -3.220 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.840 4.165 -3.985 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -0.062 4.576 -2.507 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.700 3.224 -3.309 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.542 4.845 -2.590 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.410 4.635 -4.130 1.00 50.00 H new ATOM 525 N SER A 36 0.164 8.456 -6.512 1.00 50.00 N ATOM 526 CA SER A 36 0.864 9.761 -6.485 1.00 50.00 C ATOM 527 C SER A 36 0.191 10.694 -5.489 1.00 50.00 C ATOM 528 O SER A 36 -1.013 10.854 -5.492 1.00 50.00 O ATOM 529 CB SER A 36 0.744 10.311 -7.905 1.00 50.00 C ATOM 530 OG SER A 36 0.616 9.228 -8.818 1.00 50.00 O ATOM 0 H SER A 36 -0.622 8.397 -7.159 1.00 50.00 H new ATOM 0 HA SER A 36 1.905 9.664 -6.178 1.00 50.00 H new ATOM 0 HB2 SER A 36 -0.121 10.970 -7.980 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.622 10.908 -8.152 1.00 50.00 H new ATOM 0 HG SER A 36 0.347 9.570 -9.696 1.00 50.00 H new ATOM 536 N TYR A 37 0.952 11.317 -4.636 1.00 50.00 N ATOM 537 CA TYR A 37 0.328 12.236 -3.654 1.00 50.00 C ATOM 538 C TYR A 37 0.308 13.655 -4.224 1.00 50.00 C ATOM 539 O TYR A 37 1.293 14.367 -4.183 1.00 50.00 O ATOM 540 CB TYR A 37 1.209 12.156 -2.407 1.00 50.00 C ATOM 541 CG TYR A 37 0.947 13.351 -1.521 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.362 13.660 -1.132 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.012 14.149 -1.088 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.605 14.768 -0.311 1.00 50.00 C ATOM 545 CE2 TYR A 37 1.769 15.256 -0.267 1.00 50.00 C ATOM 546 CZ TYR A 37 0.459 15.566 0.121 1.00 50.00 C ATOM 547 OH TYR A 37 0.219 16.657 0.930 1.00 49.57 O ATOM 0 H TYR A 37 1.967 11.230 -4.578 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.703 11.968 -3.424 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.002 11.235 -1.862 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.260 12.127 -2.694 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -1.184 13.044 -1.465 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.022 13.910 -1.388 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.615 15.006 -0.011 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.591 15.871 0.067 1.00 50.00 H new ATOM 0 HH TYR A 37 1.071 17.064 1.192 1.00 49.57 H new ATOM 557 N SER A 38 -0.805 14.068 -4.764 1.00 50.00 N ATOM 558 CA SER A 38 -0.891 15.429 -5.347 1.00 50.00 C ATOM 559 C SER A 38 -1.489 16.398 -4.328 1.00 50.00 C ATOM 560 O SER A 38 -2.602 16.864 -4.478 1.00 50.00 O ATOM 561 CB SER A 38 -1.812 15.282 -6.558 1.00 50.00 C ATOM 562 OG SER A 38 -1.549 16.335 -7.477 1.00 50.00 O ATOM 0 H SER A 38 -1.661 13.516 -4.825 1.00 50.00 H new ATOM 0 HA SER A 38 0.085 15.825 -5.626 1.00 50.00 H new ATOM 0 HB2 SER A 38 -1.651 14.316 -7.037 1.00 50.00 H new ATOM 0 HB3 SER A 38 -2.855 15.311 -6.242 1.00 50.00 H new ATOM 0 HG SER A 38 -2.137 16.244 -8.256 1.00 50.00 H new ATOM 568 N GLY A 39 -0.762 16.702 -3.292 1.00 99.99 N ATOM 569 CA GLY A 39 -1.293 17.636 -2.263 1.00 99.99 C ATOM 570 C GLY A 39 -0.400 18.875 -2.184 1.00 99.99 C ATOM 571 O GLY A 39 0.810 18.779 -2.118 1.00 99.99 O ATOM 0 H GLY A 39 0.176 16.345 -3.113 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -2.313 17.926 -2.513 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.331 17.141 -1.293 1.00 99.99 H new ATOM 575 N SER A 40 -0.987 20.041 -2.193 1.00 99.99 N ATOM 576 CA SER A 40 -0.171 21.287 -2.121 1.00 99.99 C ATOM 577 C SER A 40 0.166 21.619 -0.663 1.00 99.99 C ATOM 578 O SER A 40 0.528 22.733 -0.339 1.00 99.99 O ATOM 579 CB SER A 40 -1.059 22.372 -2.731 1.00 99.99 C ATOM 580 OG SER A 40 -1.166 22.158 -4.132 1.00 99.99 O ATOM 0 H SER A 40 -1.995 20.185 -2.247 1.00 99.99 H new ATOM 0 HA SER A 40 0.778 21.192 -2.648 1.00 99.99 H new ATOM 0 HB2 SER A 40 -2.047 22.350 -2.272 1.00 99.99 H new ATOM 0 HB3 SER A 40 -0.637 23.357 -2.533 1.00 99.99 H new ATOM 0 HG SER A 40 -1.736 22.851 -4.526 1.00 99.99 H new ATOM 586 N ASP A 41 0.055 20.660 0.217 1.00 99.99 N ATOM 587 CA ASP A 41 0.371 20.922 1.651 1.00 99.99 C ATOM 588 C ASP A 41 1.776 20.413 1.985 1.00 99.99 C ATOM 589 O ASP A 41 2.241 20.536 3.102 1.00 99.99 O ATOM 590 CB ASP A 41 -0.678 20.139 2.441 1.00 99.99 C ATOM 591 CG ASP A 41 -2.030 20.844 2.336 1.00 99.99 C ATOM 592 OD1 ASP A 41 -2.035 22.054 2.180 1.00 99.99 O ATOM 593 OD2 ASP A 41 -3.039 20.162 2.416 1.00 99.99 O ATOM 0 H ASP A 41 -0.241 19.707 0.005 1.00 99.99 H new ATOM 0 HA ASP A 41 0.351 21.986 1.887 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -0.755 19.123 2.054 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -0.377 20.061 3.486 1.00 99.99 H new ATOM 598 N GLY A 42 2.452 19.835 1.032 1.00 99.99 N ATOM 599 CA GLY A 42 3.821 19.315 1.304 1.00 99.99 C ATOM 600 C GLY A 42 3.712 17.942 1.969 1.00 99.99 C ATOM 601 O GLY A 42 2.771 17.212 1.731 1.00 99.99 O ATOM 0 H GLY A 42 2.117 19.700 0.078 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.386 19.239 0.375 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.363 20.004 1.951 1.00 99.99 H new ATOM 605 N PRO A 43 4.681 17.637 2.787 1.00 99.99 N ATOM 606 CA PRO A 43 4.690 16.337 3.499 1.00 99.99 C ATOM 607 C PRO A 43 3.639 16.331 4.613 1.00 99.99 C ATOM 608 O PRO A 43 3.307 17.357 5.173 1.00 99.99 O ATOM 609 CB PRO A 43 6.101 16.250 4.070 1.00 99.99 C ATOM 610 CG PRO A 43 6.563 17.667 4.187 1.00 99.99 C ATOM 611 CD PRO A 43 5.847 18.462 3.123 1.00 99.99 C ATOM 0 HA PRO A 43 4.448 15.491 2.855 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.103 15.753 5.040 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.756 15.675 3.416 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.340 18.063 5.178 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.643 17.731 4.053 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.549 19.444 3.491 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.483 18.628 2.253 1.00 99.99 H new ATOM 619 N CYS A 44 3.108 15.184 4.928 1.00 50.00 N ATOM 620 CA CYS A 44 2.069 15.103 5.996 1.00 50.00 C ATOM 621 C CYS A 44 1.794 13.640 6.347 1.00 50.00 C ATOM 622 O CYS A 44 2.092 12.742 5.583 1.00 50.00 O ATOM 623 CB CYS A 44 0.822 15.717 5.368 1.00 50.00 C ATOM 624 SG CYS A 44 0.347 17.231 6.240 1.00 50.00 S ATOM 0 H CYS A 44 3.349 14.294 4.491 1.00 50.00 H new ATOM 0 HA CYS A 44 2.375 15.612 6.910 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.010 15.940 4.318 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.002 15.000 5.400 1.00 50.00 H new ATOM 629 N LYS A 45 1.208 13.388 7.484 1.00 50.00 N ATOM 630 CA LYS A 45 0.897 11.981 7.860 1.00 50.00 C ATOM 631 C LYS A 45 -0.316 11.501 7.058 1.00 50.00 C ATOM 632 O LYS A 45 -1.420 11.967 7.256 1.00 50.00 O ATOM 633 CB LYS A 45 0.573 12.028 9.354 1.00 50.00 C ATOM 634 CG LYS A 45 1.639 12.844 10.088 1.00 50.00 C ATOM 635 CD LYS A 45 3.026 12.283 9.767 1.00 50.00 C ATOM 636 CE LYS A 45 4.092 13.322 10.121 1.00 50.00 C ATOM 637 NZ LYS A 45 5.175 13.119 9.118 1.00 50.00 N ATOM 0 H LYS A 45 0.932 14.093 8.167 1.00 50.00 H new ATOM 0 HA LYS A 45 1.719 11.296 7.653 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.410 12.473 9.509 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.532 11.017 9.759 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.581 13.890 9.789 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.462 12.810 11.163 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.197 11.365 10.329 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.090 12.026 8.710 1.00 50.00 H new ATOM 0 HE2 LYS A 45 3.690 14.334 10.069 1.00 50.00 H new ATOM 0 HE3 LYS A 45 4.462 13.178 11.136 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 5.944 13.796 9.295 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 5.543 12.149 9.196 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 4.795 13.269 8.162 1.00 50.00 H new ATOM 651 N ILE A 46 -0.122 10.587 6.145 1.00 50.00 N ATOM 652 CA ILE A 46 -1.270 10.099 5.325 1.00 50.00 C ATOM 653 C ILE A 46 -2.195 9.218 6.171 1.00 50.00 C ATOM 654 O ILE A 46 -1.834 8.122 6.550 1.00 50.00 O ATOM 655 CB ILE A 46 -0.642 9.283 4.191 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.576 10.022 3.627 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.669 9.091 3.074 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.734 9.036 3.457 1.00 50.00 C ATOM 0 H ILE A 46 0.778 10.158 5.932 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.876 10.921 4.945 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.330 8.314 4.581 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.327 10.477 2.668 1.00 50.00 H new ATOM 0 HG13 ILE A 46 0.867 10.830 4.298 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.224 8.510 2.266 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.538 8.561 3.465 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.979 10.064 2.693 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.602 9.560 3.056 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.987 8.602 4.424 1.00 50.00 H new ATOM 0 HD13 ILE A 46 1.439 8.243 2.770 1.00 50.00 H new ATOM 670 N PRO A 47 -3.366 9.735 6.437 1.00 50.00 N ATOM 671 CA PRO A 47 -4.362 8.999 7.245 1.00 50.00 C ATOM 672 C PRO A 47 -5.169 8.037 6.364 1.00 50.00 C ATOM 673 O PRO A 47 -6.123 8.427 5.719 1.00 50.00 O ATOM 674 CB PRO A 47 -5.257 10.107 7.788 1.00 50.00 C ATOM 675 CG PRO A 47 -5.131 11.244 6.816 1.00 50.00 C ATOM 676 CD PRO A 47 -3.864 11.047 6.017 1.00 50.00 C ATOM 0 HA PRO A 47 -3.912 8.388 8.027 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.291 9.772 7.866 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -4.943 10.409 8.787 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.996 11.275 6.154 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.101 12.196 7.347 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -4.063 11.072 4.946 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.137 11.833 6.225 1.00 50.00 H new ATOM 684 N ILE A 48 -4.800 6.786 6.335 1.00 50.00 N ATOM 685 CA ILE A 48 -5.555 5.809 5.499 1.00 50.00 C ATOM 686 C ILE A 48 -5.845 4.541 6.300 1.00 50.00 C ATOM 687 O ILE A 48 -5.131 4.200 7.221 1.00 50.00 O ATOM 688 CB ILE A 48 -4.633 5.499 4.321 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.438 6.764 3.486 1.00 50.00 C ATOM 690 CG2 ILE A 48 -5.262 4.406 3.454 1.00 50.00 C ATOM 691 CD1 ILE A 48 -3.074 6.714 2.800 1.00 50.00 C ATOM 0 H ILE A 48 -4.011 6.398 6.852 1.00 50.00 H new ATOM 0 HA ILE A 48 -6.517 6.204 5.171 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.668 5.155 4.693 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -5.229 6.847 2.741 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -4.505 7.647 4.122 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -4.604 4.185 2.613 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -5.404 3.505 4.051 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -6.227 4.749 3.079 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -2.933 7.616 2.204 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -2.290 6.651 3.554 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -3.025 5.839 2.152 1.00 50.00 H new ATOM 703 N VAL A 49 -6.887 3.837 5.957 1.00 50.00 N ATOM 704 CA VAL A 49 -7.218 2.590 6.700 1.00 50.00 C ATOM 705 C VAL A 49 -7.344 1.414 5.730 1.00 50.00 C ATOM 706 O VAL A 49 -8.267 1.343 4.941 1.00 50.00 O ATOM 707 CB VAL A 49 -8.557 2.876 7.381 1.00 50.00 C ATOM 708 CG1 VAL A 49 -9.648 3.027 6.320 1.00 50.00 C ATOM 709 CG2 VAL A 49 -8.910 1.716 8.314 1.00 50.00 C ATOM 0 H VAL A 49 -7.523 4.071 5.195 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.446 2.322 7.422 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.482 3.798 7.958 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -10.602 3.231 6.806 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -9.396 3.852 5.654 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -9.724 2.106 5.743 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -9.864 1.918 8.801 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -8.985 0.795 7.737 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -8.133 1.608 9.070 1.00 50.00 H new ATOM 719 N SER A 50 -6.425 0.489 5.783 1.00 50.00 N ATOM 720 CA SER A 50 -6.493 -0.684 4.866 1.00 50.00 C ATOM 721 C SER A 50 -7.262 -1.821 5.538 1.00 50.00 C ATOM 722 O SER A 50 -6.735 -2.536 6.367 1.00 50.00 O ATOM 723 CB SER A 50 -5.038 -1.085 4.626 1.00 50.00 C ATOM 724 OG SER A 50 -4.581 -0.491 3.417 1.00 50.00 O ATOM 0 H SER A 50 -5.630 0.495 6.422 1.00 50.00 H new ATOM 0 HA SER A 50 -7.007 -0.456 3.932 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.417 -0.761 5.461 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.953 -2.170 4.567 1.00 50.00 H new ATOM 0 HG SER A 50 -4.167 -1.176 2.852 1.00 50.00 H new ATOM 730 N VAL A 51 -8.507 -1.993 5.190 1.00 50.00 N ATOM 731 CA VAL A 51 -9.310 -3.081 5.815 1.00 50.00 C ATOM 732 C VAL A 51 -9.849 -4.024 4.740 1.00 50.00 C ATOM 733 O VAL A 51 -10.020 -3.646 3.598 1.00 50.00 O ATOM 734 CB VAL A 51 -10.459 -2.360 6.521 1.00 50.00 C ATOM 735 CG1 VAL A 51 -11.265 -3.362 7.348 1.00 50.00 C ATOM 736 CG2 VAL A 51 -9.889 -1.279 7.443 1.00 50.00 C ATOM 0 H VAL A 51 -9.003 -1.428 4.501 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.722 -3.689 6.503 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.110 -1.901 5.777 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -12.083 -2.845 7.850 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -11.671 -4.132 6.692 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -10.617 -3.824 8.093 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -10.706 -0.763 7.948 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -9.238 -1.740 8.185 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -9.317 -0.563 6.853 1.00 50.00 H new ATOM 746 N ALA A 52 -10.129 -5.247 5.096 1.00 50.00 N ATOM 747 CA ALA A 52 -10.670 -6.207 4.091 1.00 50.00 C ATOM 748 C ALA A 52 -11.999 -5.677 3.554 1.00 50.00 C ATOM 749 O ALA A 52 -12.591 -4.788 4.132 1.00 50.00 O ATOM 750 CB ALA A 52 -10.882 -7.513 4.857 1.00 50.00 C ATOM 0 H ALA A 52 -10.007 -5.623 6.036 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.003 -6.348 3.240 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -11.280 -8.270 4.182 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -9.930 -7.854 5.265 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -11.587 -7.347 5.672 1.00 50.00 H new ATOM 756 N SER A 53 -12.480 -6.195 2.460 1.00 50.00 N ATOM 757 CA SER A 53 -13.776 -5.684 1.936 1.00 50.00 C ATOM 758 C SER A 53 -14.903 -6.160 2.851 1.00 50.00 C ATOM 759 O SER A 53 -15.336 -7.293 2.785 1.00 50.00 O ATOM 760 CB SER A 53 -13.912 -6.293 0.542 1.00 50.00 C ATOM 761 OG SER A 53 -15.231 -6.072 0.061 1.00 50.00 O ATOM 0 H SER A 53 -12.042 -6.937 1.914 1.00 50.00 H new ATOM 0 HA SER A 53 -13.821 -4.596 1.896 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.185 -5.845 -0.136 1.00 50.00 H new ATOM 0 HB3 SER A 53 -13.699 -7.361 0.577 1.00 50.00 H new ATOM 0 HG SER A 53 -15.467 -5.128 0.177 1.00 50.00 H new ATOM 767 N LEU A 54 -15.376 -5.296 3.707 1.00 50.00 N ATOM 768 CA LEU A 54 -16.478 -5.740 4.622 1.00 50.00 C ATOM 769 C LEU A 54 -16.763 -4.702 5.707 1.00 50.00 C ATOM 770 O LEU A 54 -17.852 -4.169 5.789 1.00 50.00 O ATOM 771 CB LEU A 54 -15.970 -7.041 5.252 1.00 50.00 C ATOM 772 CG LEU A 54 -16.732 -7.318 6.550 1.00 50.00 C ATOM 773 CD1 LEU A 54 -18.235 -7.241 6.287 1.00 50.00 C ATOM 774 CD2 LEU A 54 -16.376 -8.717 7.060 1.00 50.00 C ATOM 0 H LEU A 54 -15.063 -4.331 3.816 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.413 -5.874 4.079 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -16.104 -7.870 4.557 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -14.902 -6.965 5.455 1.00 50.00 H new ATOM 0 HG LEU A 54 -16.456 -6.575 7.298 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -18.777 -7.438 7.212 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -18.490 -6.246 5.922 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -18.512 -7.984 5.539 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -16.918 -8.916 7.985 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -16.652 -9.459 6.311 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -15.304 -8.774 7.248 1.00 50.00 H new ATOM 786 N ASN A 55 -15.811 -4.407 6.541 1.00 50.00 N ATOM 787 CA ASN A 55 -16.058 -3.401 7.614 1.00 50.00 C ATOM 788 C ASN A 55 -15.633 -2.008 7.143 1.00 50.00 C ATOM 789 O ASN A 55 -14.726 -1.861 6.347 1.00 50.00 O ATOM 790 CB ASN A 55 -15.185 -3.857 8.784 1.00 50.00 C ATOM 791 CG ASN A 55 -15.921 -4.933 9.584 1.00 50.00 C ATOM 792 OD1 ASN A 55 -17.128 -4.886 9.721 1.00 50.00 O ATOM 793 ND2 ASN A 55 -15.241 -5.907 10.122 1.00 50.00 N ATOM 0 H ASN A 55 -14.876 -4.814 6.530 1.00 50.00 H new ATOM 0 HA ASN A 55 -17.111 -3.336 7.886 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -14.238 -4.249 8.413 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -14.949 -3.009 9.427 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.722 -6.630 10.658 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.228 -5.946 10.007 1.00 50.00 H new ATOM 800 N ASP A 56 -16.278 -0.984 7.630 1.00 50.00 N ATOM 801 CA ASP A 56 -15.907 0.400 7.214 1.00 50.00 C ATOM 802 C ASP A 56 -15.159 1.110 8.347 1.00 50.00 C ATOM 803 O ASP A 56 -14.452 2.073 8.129 1.00 50.00 O ATOM 804 CB ASP A 56 -17.238 1.098 6.931 1.00 50.00 C ATOM 805 CG ASP A 56 -18.138 0.997 8.164 1.00 50.00 C ATOM 806 OD1 ASP A 56 -17.834 1.647 9.151 1.00 50.00 O ATOM 807 OD2 ASP A 56 -19.116 0.271 8.101 1.00 50.00 O ATOM 0 H ASP A 56 -17.046 -1.045 8.298 1.00 50.00 H new ATOM 0 HA ASP A 56 -15.249 0.408 6.345 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -17.066 2.144 6.678 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -17.727 0.638 6.072 1.00 50.00 H new ATOM 812 N MET A 57 -15.312 0.641 9.556 1.00 50.00 N ATOM 813 CA MET A 57 -14.611 1.290 10.703 1.00 50.00 C ATOM 814 C MET A 57 -13.805 0.251 11.489 1.00 50.00 C ATOM 815 O MET A 57 -13.633 0.364 12.687 1.00 50.00 O ATOM 816 CB MET A 57 -15.726 1.871 11.573 1.00 50.00 C ATOM 817 CG MET A 57 -15.139 2.917 12.523 1.00 50.00 C ATOM 818 SD MET A 57 -16.479 3.747 13.410 1.00 50.00 S ATOM 819 CE MET A 57 -16.331 2.824 14.960 1.00 50.00 C ATOM 0 H MET A 57 -15.891 -0.162 9.800 1.00 50.00 H new ATOM 0 HA MET A 57 -13.908 2.056 10.375 1.00 50.00 H new ATOM 0 HB2 MET A 57 -16.493 2.324 10.945 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.209 1.077 12.143 1.00 50.00 H new ATOM 0 HG2 MET A 57 -14.461 2.441 13.231 1.00 50.00 H new ATOM 0 HG3 MET A 57 -14.554 3.646 11.962 1.00 50.00 H new ATOM 0 HE1 MET A 57 -17.079 3.180 15.668 1.00 50.00 H new ATOM 0 HE2 MET A 57 -16.489 1.763 14.768 1.00 50.00 H new ATOM 0 HE3 MET A 57 -15.336 2.973 15.378 1.00 50.00 H new ATOM 829 N THR A 58 -13.313 -0.759 10.828 1.00 50.00 N ATOM 830 CA THR A 58 -12.522 -1.802 11.542 1.00 50.00 C ATOM 831 C THR A 58 -11.167 -1.998 10.857 1.00 50.00 C ATOM 832 O THR A 58 -11.105 -2.342 9.694 1.00 50.00 O ATOM 833 CB THR A 58 -13.361 -3.077 11.438 1.00 50.00 C ATOM 834 OG1 THR A 58 -14.656 -2.835 11.970 1.00 50.00 O ATOM 835 CG2 THR A 58 -12.687 -4.200 12.227 1.00 50.00 C ATOM 0 H THR A 58 -13.424 -0.908 9.825 1.00 50.00 H new ATOM 0 HA THR A 58 -12.320 -1.529 12.578 1.00 50.00 H new ATOM 0 HB THR A 58 -13.446 -3.371 10.392 1.00 50.00 H new ATOM 0 HG1 THR A 58 -15.195 -3.651 11.902 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.286 -5.108 12.152 1.00 50.00 H new ATOM 0 HG22 THR A 58 -11.694 -4.386 11.819 1.00 50.00 H new ATOM 0 HG23 THR A 58 -12.600 -3.908 13.274 1.00 50.00 H new ATOM 843 N PRO A 59 -10.123 -1.774 11.608 1.00 50.00 N ATOM 844 CA PRO A 59 -8.751 -1.931 11.067 1.00 50.00 C ATOM 845 C PRO A 59 -8.423 -3.415 10.879 1.00 50.00 C ATOM 846 O PRO A 59 -8.540 -4.207 11.792 1.00 50.00 O ATOM 847 CB PRO A 59 -7.868 -1.309 12.146 1.00 50.00 C ATOM 848 CG PRO A 59 -8.665 -1.413 13.407 1.00 50.00 C ATOM 849 CD PRO A 59 -10.120 -1.360 13.015 1.00 50.00 C ATOM 0 HA PRO A 59 -8.615 -1.463 10.092 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -6.920 -1.839 12.234 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -7.632 -0.271 11.913 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -8.440 -2.343 13.930 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -8.419 -0.597 14.087 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.724 -2.028 13.629 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -10.530 -0.358 13.137 1.00 50.00 H new ATOM 857 N VAL A 60 -8.017 -3.797 9.700 1.00 50.00 N ATOM 858 CA VAL A 60 -7.686 -5.231 9.458 1.00 50.00 C ATOM 859 C VAL A 60 -6.376 -5.342 8.685 1.00 50.00 C ATOM 860 O VAL A 60 -5.492 -6.100 9.035 1.00 50.00 O ATOM 861 CB VAL A 60 -8.851 -5.771 8.628 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.445 -7.096 7.980 1.00 50.00 C ATOM 863 CG2 VAL A 60 -10.060 -5.997 9.538 1.00 50.00 C ATOM 0 H VAL A 60 -7.900 -3.181 8.895 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.556 -5.790 10.385 1.00 50.00 H new ATOM 0 HB VAL A 60 -9.109 -5.052 7.851 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.275 -7.481 7.388 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -7.582 -6.936 7.333 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.188 -7.817 8.756 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -10.892 -6.382 8.949 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -9.801 -6.717 10.314 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.349 -5.053 10.000 1.00 50.00 H new ATOM 873 N GLY A 61 -6.246 -4.585 7.640 1.00 50.00 N ATOM 874 CA GLY A 61 -4.995 -4.629 6.833 1.00 50.00 C ATOM 875 C GLY A 61 -3.895 -3.867 7.572 1.00 50.00 C ATOM 876 O GLY A 61 -4.166 -3.042 8.422 1.00 50.00 O ATOM 0 H GLY A 61 -6.954 -3.932 7.304 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -4.690 -5.662 6.668 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.165 -4.186 5.852 1.00 50.00 H new ATOM 880 N ARG A 62 -2.657 -4.135 7.263 1.00 50.00 N ATOM 881 CA ARG A 62 -1.550 -3.419 7.962 1.00 50.00 C ATOM 882 C ARG A 62 -0.522 -2.902 6.952 1.00 50.00 C ATOM 883 O ARG A 62 -0.378 -3.434 5.870 1.00 50.00 O ATOM 884 CB ARG A 62 -0.919 -4.466 8.880 1.00 50.00 C ATOM 885 CG ARG A 62 -2.020 -5.238 9.609 1.00 50.00 C ATOM 886 CD ARG A 62 -1.471 -5.791 10.927 1.00 50.00 C ATOM 887 NE ARG A 62 -0.635 -6.959 10.533 1.00 50.00 N ATOM 888 CZ ARG A 62 -0.215 -7.797 11.441 1.00 50.00 C ATOM 889 NH1 ARG A 62 0.727 -7.438 12.272 1.00 50.00 N ATOM 890 NH2 ARG A 62 -0.734 -8.991 11.518 1.00 50.00 N ATOM 0 H ARG A 62 -2.363 -4.814 6.561 1.00 50.00 H new ATOM 0 HA ARG A 62 -1.909 -2.551 8.516 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.304 -5.152 8.298 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.261 -3.982 9.602 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -2.870 -4.584 9.803 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.382 -6.054 8.983 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -0.880 -5.042 11.454 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -2.277 -6.090 11.597 1.00 50.00 H new ATOM 0 HE ARG A 62 -0.391 -7.104 9.553 1.00 50.00 H new ATOM 0 HH11 ARG A 62 1.133 -6.504 12.210 1.00 50.00 H new ATOM 0 HH12 ARG A 62 1.057 -8.091 12.982 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -1.469 -9.271 10.868 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -0.405 -9.645 12.228 1.00 50.00 H new ATOM 904 N LEU A 63 0.196 -1.871 7.303 1.00 50.00 N ATOM 905 CA LEU A 63 1.219 -1.322 6.368 1.00 50.00 C ATOM 906 C LEU A 63 2.587 -1.936 6.675 1.00 50.00 C ATOM 907 O LEU A 63 3.029 -1.956 7.808 1.00 50.00 O ATOM 908 CB LEU A 63 1.231 0.185 6.632 1.00 50.00 C ATOM 909 CG LEU A 63 -0.065 0.807 6.106 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.656 1.735 7.169 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.233 1.615 4.841 1.00 50.00 C ATOM 0 H LEU A 63 0.119 -1.385 8.196 1.00 50.00 H new ATOM 0 HA LEU A 63 0.995 -1.547 5.325 1.00 50.00 H new ATOM 0 HB2 LEU A 63 1.331 0.377 7.700 1.00 50.00 H new ATOM 0 HB3 LEU A 63 2.091 0.643 6.144 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.777 0.015 5.876 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.579 2.177 6.793 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -0.869 1.164 8.073 1.00 50.00 H new ATOM 0 HD13 LEU A 63 0.058 2.526 7.399 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.690 2.058 4.466 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.947 2.405 5.074 1.00 50.00 H new ATOM 0 HD23 LEU A 63 0.655 0.958 4.081 1.00 50.00 H new ATOM 923 N VAL A 64 3.259 -2.443 5.679 1.00 50.00 N ATOM 924 CA VAL A 64 4.595 -3.061 5.919 1.00 50.00 C ATOM 925 C VAL A 64 5.675 -1.979 6.007 1.00 50.00 C ATOM 926 O VAL A 64 6.638 -2.110 6.735 1.00 50.00 O ATOM 927 CB VAL A 64 4.833 -3.967 4.711 1.00 50.00 C ATOM 928 CG1 VAL A 64 6.316 -4.337 4.632 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.998 -5.240 4.863 1.00 50.00 C ATOM 0 H VAL A 64 2.942 -2.457 4.710 1.00 50.00 H new ATOM 0 HA VAL A 64 4.632 -3.615 6.857 1.00 50.00 H new ATOM 0 HB VAL A 64 4.542 -3.444 3.800 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.484 -4.983 3.770 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.912 -3.430 4.528 1.00 50.00 H new ATOM 0 HG13 VAL A 64 6.609 -4.861 5.541 1.00 50.00 H new ATOM 0 HG21 VAL A 64 4.165 -5.889 4.003 1.00 50.00 H new ATOM 0 HG22 VAL A 64 4.292 -5.761 5.774 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.942 -4.978 4.920 1.00 50.00 H new ATOM 939 N THR A 65 5.521 -0.908 5.277 1.00 50.00 N ATOM 940 CA THR A 65 6.541 0.180 5.327 1.00 50.00 C ATOM 941 C THR A 65 6.332 1.040 6.576 1.00 50.00 C ATOM 942 O THR A 65 5.325 0.940 7.249 1.00 50.00 O ATOM 943 CB THR A 65 6.301 1.009 4.063 1.00 50.00 C ATOM 944 OG1 THR A 65 7.343 1.965 3.923 1.00 50.00 O ATOM 945 CG2 THR A 65 4.956 1.729 4.172 1.00 50.00 C ATOM 0 H THR A 65 4.735 -0.739 4.649 1.00 50.00 H new ATOM 0 HA THR A 65 7.558 -0.210 5.372 1.00 50.00 H new ATOM 0 HB THR A 65 6.289 0.353 3.193 1.00 50.00 H new ATOM 0 HG1 THR A 65 7.193 2.496 3.113 1.00 50.00 H new ATOM 0 HG21 THR A 65 4.785 2.319 3.272 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.158 0.995 4.281 1.00 50.00 H new ATOM 0 HG23 THR A 65 4.965 2.387 5.041 1.00 50.00 H new ATOM 953 N VAL A 66 7.274 1.886 6.891 1.00 50.00 N ATOM 954 CA VAL A 66 7.130 2.752 8.091 1.00 50.00 C ATOM 955 C VAL A 66 5.777 3.469 8.062 1.00 50.00 C ATOM 956 O VAL A 66 4.993 3.298 7.149 1.00 50.00 O ATOM 957 CB VAL A 66 8.274 3.757 7.979 1.00 50.00 C ATOM 958 CG1 VAL A 66 9.588 3.011 7.740 1.00 50.00 C ATOM 959 CG2 VAL A 66 8.006 4.705 6.808 1.00 50.00 C ATOM 0 H VAL A 66 8.139 2.014 6.366 1.00 50.00 H new ATOM 0 HA VAL A 66 7.169 2.188 9.023 1.00 50.00 H new ATOM 0 HB VAL A 66 8.345 4.331 8.903 1.00 50.00 H new ATOM 0 HG11 VAL A 66 10.404 3.729 7.660 1.00 50.00 H new ATOM 0 HG12 VAL A 66 9.779 2.335 8.573 1.00 50.00 H new ATOM 0 HG13 VAL A 66 9.518 2.437 6.816 1.00 50.00 H new ATOM 0 HG21 VAL A 66 8.822 5.423 6.727 1.00 50.00 H new ATOM 0 HG22 VAL A 66 7.935 4.131 5.884 1.00 50.00 H new ATOM 0 HG23 VAL A 66 7.070 5.237 6.978 1.00 50.00 H new ATOM 969 N ASN A 67 5.497 4.271 9.052 1.00 50.00 N ATOM 970 CA ASN A 67 4.194 4.996 9.073 1.00 50.00 C ATOM 971 C ASN A 67 3.923 5.629 7.705 1.00 50.00 C ATOM 972 O ASN A 67 4.830 6.090 7.043 1.00 50.00 O ATOM 973 CB ASN A 67 4.356 6.076 10.141 1.00 50.00 C ATOM 974 CG ASN A 67 4.784 5.431 11.461 1.00 50.00 C ATOM 975 OD1 ASN A 67 5.960 5.305 11.736 1.00 50.00 O ATOM 976 ND2 ASN A 67 3.870 5.015 12.295 1.00 50.00 N ATOM 0 H ASN A 67 6.111 4.456 9.845 1.00 50.00 H new ATOM 0 HA ASN A 67 3.356 4.334 9.290 1.00 50.00 H new ATOM 0 HB2 ASN A 67 5.100 6.807 9.824 1.00 50.00 H new ATOM 0 HB3 ASN A 67 3.417 6.614 10.275 1.00 50.00 H new ATOM 0 HD21 ASN A 67 4.144 4.584 13.178 1.00 50.00 H new ATOM 0 HD22 ASN A 67 2.882 5.121 12.064 1.00 50.00 H new ATOM 983 N PRO A 68 2.674 5.624 7.327 1.00 50.00 N ATOM 984 CA PRO A 68 2.271 6.202 6.022 1.00 50.00 C ATOM 985 C PRO A 68 2.325 7.732 6.071 1.00 50.00 C ATOM 986 O PRO A 68 1.314 8.401 5.979 1.00 50.00 O ATOM 987 CB PRO A 68 0.836 5.715 5.844 1.00 50.00 C ATOM 988 CG PRO A 68 0.337 5.459 7.231 1.00 50.00 C ATOM 989 CD PRO A 68 1.530 5.086 8.071 1.00 50.00 C ATOM 0 HA PRO A 68 2.924 5.903 5.202 1.00 50.00 H new ATOM 0 HB2 PRO A 68 0.226 6.463 5.337 1.00 50.00 H new ATOM 0 HB3 PRO A 68 0.799 4.810 5.238 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.155 6.345 7.633 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.401 4.657 7.233 1.00 50.00 H new ATOM 0 HD2 PRO A 68 1.465 5.518 9.070 1.00 50.00 H new ATOM 0 HD3 PRO A 68 1.608 4.006 8.196 1.00 50.00 H new ATOM 997 N PHE A 69 3.498 8.291 6.208 1.00 50.00 N ATOM 998 CA PHE A 69 3.618 9.778 6.256 1.00 50.00 C ATOM 999 C PHE A 69 4.469 10.276 5.084 1.00 50.00 C ATOM 1000 O PHE A 69 5.610 9.890 4.928 1.00 50.00 O ATOM 1001 CB PHE A 69 4.321 10.079 7.582 1.00 50.00 C ATOM 1002 CG PHE A 69 3.517 9.529 8.737 1.00 50.00 C ATOM 1003 CD1 PHE A 69 2.146 9.286 8.589 1.00 50.00 C ATOM 1004 CD2 PHE A 69 4.145 9.265 9.960 1.00 50.00 C ATOM 1005 CE1 PHE A 69 1.404 8.779 9.664 1.00 50.00 C ATOM 1006 CE2 PHE A 69 3.404 8.758 11.033 1.00 50.00 C ATOM 1007 CZ PHE A 69 2.034 8.515 10.886 1.00 50.00 C ATOM 0 H PHE A 69 4.378 7.782 6.289 1.00 50.00 H new ATOM 0 HA PHE A 69 2.648 10.270 6.185 1.00 50.00 H new ATOM 0 HB2 PHE A 69 5.318 9.638 7.581 1.00 50.00 H new ATOM 0 HB3 PHE A 69 4.448 11.155 7.698 1.00 50.00 H new ATOM 0 HD1 PHE A 69 1.660 9.489 7.646 1.00 50.00 H new ATOM 0 HD2 PHE A 69 5.202 9.453 10.075 1.00 50.00 H new ATOM 0 HE1 PHE A 69 0.346 8.592 9.550 1.00 50.00 H new ATOM 0 HE2 PHE A 69 3.890 8.554 11.976 1.00 50.00 H new ATOM 0 HZ PHE A 69 1.463 8.124 11.715 1.00 50.00 H new ATOM 1017 N VAL A 70 3.927 11.131 4.259 1.00 50.00 N ATOM 1018 CA VAL A 70 4.713 11.649 3.104 1.00 50.00 C ATOM 1019 C VAL A 70 5.699 12.721 3.580 1.00 50.00 C ATOM 1020 O VAL A 70 5.644 13.860 3.160 1.00 50.00 O ATOM 1021 CB VAL A 70 3.673 12.256 2.159 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.377 13.093 1.091 1.00 50.00 C ATOM 1023 CG2 VAL A 70 2.883 11.132 1.483 1.00 50.00 C ATOM 0 H VAL A 70 2.976 11.492 4.335 1.00 50.00 H new ATOM 0 HA VAL A 70 5.299 10.870 2.617 1.00 50.00 H new ATOM 0 HB VAL A 70 2.994 12.891 2.728 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.635 13.524 0.419 1.00 50.00 H new ATOM 0 HG12 VAL A 70 4.942 13.893 1.570 1.00 50.00 H new ATOM 0 HG13 VAL A 70 5.057 12.459 0.522 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.142 11.562 0.810 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.565 10.499 0.915 1.00 50.00 H new ATOM 0 HG23 VAL A 70 2.379 10.534 2.242 1.00 50.00 H new ATOM 1033 N ALA A 71 6.600 12.367 4.454 1.00 50.00 N ATOM 1034 CA ALA A 71 7.587 13.366 4.956 1.00 50.00 C ATOM 1035 C ALA A 71 8.782 13.452 4.004 1.00 50.00 C ATOM 1036 O ALA A 71 9.910 13.209 4.383 1.00 50.00 O ATOM 1037 CB ALA A 71 8.027 12.838 6.321 1.00 50.00 C ATOM 0 H ALA A 71 6.696 11.429 4.843 1.00 50.00 H new ATOM 0 HA ALA A 71 7.162 14.367 5.024 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.756 13.520 6.757 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.161 12.764 6.979 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.478 11.853 6.202 1.00 50.00 H new ATOM 1043 N THR A 72 8.542 13.793 2.768 1.00 50.00 N ATOM 1044 CA THR A 72 9.666 13.891 1.792 1.00 50.00 C ATOM 1045 C THR A 72 9.437 15.061 0.830 1.00 50.00 C ATOM 1046 O THR A 72 8.349 15.594 0.734 1.00 50.00 O ATOM 1047 CB THR A 72 9.650 12.561 1.037 1.00 50.00 C ATOM 1048 OG1 THR A 72 9.223 11.528 1.913 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.053 12.247 0.520 1.00 50.00 C ATOM 0 H THR A 72 7.619 14.008 2.391 1.00 50.00 H new ATOM 0 HA THR A 72 10.623 14.071 2.282 1.00 50.00 H new ATOM 0 HB THR A 72 8.964 12.630 0.193 1.00 50.00 H new ATOM 0 HG1 THR A 72 9.210 10.675 1.431 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.039 11.299 -0.018 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.379 13.041 -0.152 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.743 12.177 1.361 1.00 50.00 H new ATOM 1057 N SER A 73 10.452 15.458 0.113 1.00 50.00 N ATOM 1058 CA SER A 73 10.290 16.588 -0.846 1.00 50.00 C ATOM 1059 C SER A 73 9.974 16.048 -2.243 1.00 50.00 C ATOM 1060 O SER A 73 9.723 16.795 -3.168 1.00 50.00 O ATOM 1061 CB SER A 73 11.638 17.308 -0.842 1.00 50.00 C ATOM 1062 OG SER A 73 11.505 18.555 -1.514 1.00 50.00 O ATOM 0 H SER A 73 11.386 15.049 0.149 1.00 50.00 H new ATOM 0 HA SER A 73 9.473 17.254 -0.568 1.00 50.00 H new ATOM 0 HB2 SER A 73 11.975 17.468 0.182 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.393 16.695 -1.334 1.00 50.00 H new ATOM 0 HG SER A 73 10.783 18.496 -2.174 1.00 50.00 H new ATOM 1068 N SER A 74 9.984 14.753 -2.401 1.00 99.99 N ATOM 1069 CA SER A 74 9.684 14.162 -3.737 1.00 99.99 C ATOM 1070 C SER A 74 8.453 13.256 -3.650 1.00 99.99 C ATOM 1071 O SER A 74 8.111 12.567 -4.590 1.00 99.99 O ATOM 1072 CB SER A 74 10.926 13.349 -4.098 1.00 99.99 C ATOM 1073 OG SER A 74 10.538 12.211 -4.857 1.00 99.99 O ATOM 0 H SER A 74 10.187 14.078 -1.663 1.00 99.99 H new ATOM 0 HA SER A 74 9.464 14.923 -4.486 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.622 13.962 -4.670 1.00 99.99 H new ATOM 0 HB3 SER A 74 11.446 13.037 -3.193 1.00 99.99 H new ATOM 0 HG SER A 74 9.698 12.401 -5.325 1.00 99.99 H new ATOM 1079 N ALA A 75 7.779 13.257 -2.530 1.00 99.99 N ATOM 1080 CA ALA A 75 6.566 12.398 -2.390 1.00 99.99 C ATOM 1081 C ALA A 75 5.389 13.023 -3.143 1.00 99.99 C ATOM 1082 O ALA A 75 4.266 12.571 -3.042 1.00 99.99 O ATOM 1083 CB ALA A 75 6.276 12.352 -0.892 1.00 99.99 C ATOM 0 H ALA A 75 8.015 13.814 -1.708 1.00 99.99 H new ATOM 0 HA ALA A 75 6.719 11.401 -2.804 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.395 11.737 -0.711 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.131 11.924 -0.369 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.095 13.362 -0.525 1.00 99.99 H new ATOM 1089 N ASN A 76 5.638 14.054 -3.902 1.00 99.99 N ATOM 1090 CA ASN A 76 4.543 14.699 -4.664 1.00 99.99 C ATOM 1091 C ASN A 76 4.370 13.983 -5.999 1.00 99.99 C ATOM 1092 O ASN A 76 3.799 14.511 -6.932 1.00 99.99 O ATOM 1093 CB ASN A 76 5.002 16.142 -4.878 1.00 99.99 C ATOM 1094 CG ASN A 76 5.095 16.853 -3.528 1.00 99.99 C ATOM 1095 OD1 ASN A 76 4.134 17.437 -3.069 1.00 99.99 O ATOM 1096 ND2 ASN A 76 6.221 16.828 -2.867 1.00 99.99 N ATOM 0 H ASN A 76 6.558 14.476 -4.025 1.00 99.99 H new ATOM 0 HA ASN A 76 3.585 14.659 -4.145 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.971 16.156 -5.376 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.301 16.665 -5.529 1.00 99.99 H new ATOM 0 HD21 ASN A 76 6.294 17.299 -1.965 1.00 99.99 H new ATOM 0 HD22 ASN A 76 7.028 16.338 -3.253 1.00 99.99 H new ATOM 1103 N SER A 77 4.864 12.780 -6.096 1.00 99.99 N ATOM 1104 CA SER A 77 4.734 12.024 -7.364 1.00 99.99 C ATOM 1105 C SER A 77 4.154 10.644 -7.074 1.00 99.99 C ATOM 1106 O SER A 77 3.750 10.353 -5.963 1.00 99.99 O ATOM 1107 CB SER A 77 6.158 11.909 -7.907 1.00 99.99 C ATOM 1108 OG SER A 77 7.016 11.431 -6.879 1.00 99.99 O ATOM 0 H SER A 77 5.353 12.290 -5.347 1.00 99.99 H new ATOM 0 HA SER A 77 4.072 12.511 -8.080 1.00 99.99 H new ATOM 0 HB2 SER A 77 6.181 11.231 -8.760 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.503 12.880 -8.263 1.00 99.99 H new ATOM 0 HG SER A 77 7.297 12.180 -6.313 1.00 99.99 H new ATOM 1114 N LYS A 78 4.113 9.788 -8.055 1.00 99.99 N ATOM 1115 CA LYS A 78 3.568 8.427 -7.815 1.00 99.99 C ATOM 1116 C LYS A 78 4.444 7.706 -6.793 1.00 99.99 C ATOM 1117 O LYS A 78 5.385 7.018 -7.140 1.00 99.99 O ATOM 1118 CB LYS A 78 3.635 7.726 -9.172 1.00 99.99 C ATOM 1119 CG LYS A 78 2.863 8.544 -10.209 1.00 99.99 C ATOM 1120 CD LYS A 78 3.472 8.316 -11.594 1.00 99.99 C ATOM 1121 CE LYS A 78 2.365 8.349 -12.650 1.00 99.99 C ATOM 1122 NZ LYS A 78 2.683 9.530 -13.500 1.00 99.99 N ATOM 0 H LYS A 78 4.431 9.971 -9.007 1.00 99.99 H new ATOM 0 HA LYS A 78 2.551 8.442 -7.423 1.00 99.99 H new ATOM 0 HB2 LYS A 78 4.673 7.612 -9.483 1.00 99.99 H new ATOM 0 HB3 LYS A 78 3.213 6.724 -9.097 1.00 99.99 H new ATOM 0 HG2 LYS A 78 1.813 8.253 -10.209 1.00 99.99 H new ATOM 0 HG3 LYS A 78 2.900 9.603 -9.953 1.00 99.99 H new ATOM 0 HD2 LYS A 78 4.215 9.084 -11.807 1.00 99.99 H new ATOM 0 HD3 LYS A 78 3.988 7.356 -11.623 1.00 99.99 H new ATOM 0 HE2 LYS A 78 2.352 7.431 -13.238 1.00 99.99 H new ATOM 0 HE3 LYS A 78 1.382 8.447 -12.189 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 1.968 9.621 -14.250 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 2.682 10.390 -12.914 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 3.622 9.405 -13.930 1.00 99.99 H new ATOM 1136 N VAL A 79 4.144 7.859 -5.532 1.00 99.99 N ATOM 1137 CA VAL A 79 4.958 7.190 -4.489 1.00 99.99 C ATOM 1138 C VAL A 79 4.594 5.702 -4.435 1.00 99.99 C ATOM 1139 O VAL A 79 3.682 5.256 -5.104 1.00 99.99 O ATOM 1140 CB VAL A 79 4.571 7.893 -3.189 1.00 99.99 C ATOM 1141 CG1 VAL A 79 5.007 9.360 -3.252 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.056 7.821 -2.997 1.00 99.99 C ATOM 0 H VAL A 79 3.368 8.421 -5.183 1.00 99.99 H new ATOM 0 HA VAL A 79 6.030 7.251 -4.677 1.00 99.99 H new ATOM 0 HB VAL A 79 5.066 7.401 -2.352 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.731 9.862 -2.325 1.00 99.99 H new ATOM 0 HG12 VAL A 79 6.087 9.413 -3.386 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.513 9.851 -4.091 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.783 8.323 -2.069 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.559 8.311 -3.835 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.744 6.778 -2.950 1.00 99.99 H new ATOM 1152 N LEU A 80 5.298 4.925 -3.657 1.00 50.00 N ATOM 1153 CA LEU A 80 4.979 3.467 -3.588 1.00 50.00 C ATOM 1154 C LEU A 80 4.752 3.022 -2.140 1.00 50.00 C ATOM 1155 O LEU A 80 5.586 3.221 -1.278 1.00 50.00 O ATOM 1156 CB LEU A 80 6.205 2.766 -4.176 1.00 50.00 C ATOM 1157 CG LEU A 80 5.825 1.350 -4.611 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.824 0.849 -5.655 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.850 0.419 -3.397 1.00 50.00 C ATOM 0 H LEU A 80 6.074 5.232 -3.070 1.00 50.00 H new ATOM 0 HA LEU A 80 4.065 3.227 -4.131 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.585 3.330 -5.028 1.00 50.00 H new ATOM 0 HB3 LEU A 80 7.005 2.728 -3.436 1.00 50.00 H new ATOM 0 HG LEU A 80 4.824 1.361 -5.042 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.552 -0.160 -5.964 1.00 50.00 H new ATOM 0 HD12 LEU A 80 6.808 1.511 -6.521 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.826 0.839 -5.225 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.579 -0.590 -3.707 1.00 50.00 H new ATOM 0 HD22 LEU A 80 6.851 0.410 -2.966 1.00 50.00 H new ATOM 0 HD23 LEU A 80 5.138 0.773 -2.652 1.00 50.00 H new ATOM 1171 N VAL A 81 3.627 2.415 -1.871 1.00 50.00 N ATOM 1172 CA VAL A 81 3.336 1.946 -0.486 1.00 50.00 C ATOM 1173 C VAL A 81 3.072 0.437 -0.492 1.00 50.00 C ATOM 1174 O VAL A 81 2.867 -0.159 -1.531 1.00 50.00 O ATOM 1175 CB VAL A 81 2.077 2.705 -0.063 1.00 50.00 C ATOM 1176 CG1 VAL A 81 2.092 2.910 1.452 1.00 50.00 C ATOM 1177 CG2 VAL A 81 2.038 4.068 -0.761 1.00 50.00 C ATOM 0 H VAL A 81 2.894 2.223 -2.554 1.00 50.00 H new ATOM 0 HA VAL A 81 4.167 2.127 0.196 1.00 50.00 H new ATOM 0 HB VAL A 81 1.196 2.129 -0.345 1.00 50.00 H new ATOM 0 HG11 VAL A 81 1.195 3.451 1.755 1.00 50.00 H new ATOM 0 HG12 VAL A 81 2.117 1.941 1.950 1.00 50.00 H new ATOM 0 HG13 VAL A 81 2.975 3.485 1.733 1.00 50.00 H new ATOM 0 HG21 VAL A 81 1.140 4.606 -0.458 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.919 4.645 -0.481 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.027 3.923 -1.841 1.00 50.00 H new ATOM 1187 N GLU A 82 3.076 -0.186 0.655 1.00 50.00 N ATOM 1188 CA GLU A 82 2.824 -1.658 0.701 1.00 50.00 C ATOM 1189 C GLU A 82 2.096 -2.035 1.996 1.00 50.00 C ATOM 1190 O GLU A 82 2.107 -1.301 2.963 1.00 50.00 O ATOM 1191 CB GLU A 82 4.211 -2.300 0.661 1.00 50.00 C ATOM 1192 CG GLU A 82 5.155 -1.543 1.596 1.00 50.00 C ATOM 1193 CD GLU A 82 6.072 -0.636 0.773 1.00 50.00 C ATOM 1194 OE1 GLU A 82 5.559 0.266 0.131 1.00 50.00 O ATOM 1195 OE2 GLU A 82 7.271 -0.857 0.800 1.00 50.00 O ATOM 0 H GLU A 82 3.242 0.256 1.559 1.00 50.00 H new ATOM 0 HA GLU A 82 2.195 -1.992 -0.124 1.00 50.00 H new ATOM 0 HB2 GLU A 82 4.147 -3.346 0.961 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.601 -2.284 -0.357 1.00 50.00 H new ATOM 0 HG2 GLU A 82 4.580 -0.948 2.306 1.00 50.00 H new ATOM 0 HG3 GLU A 82 5.750 -2.247 2.178 1.00 50.00 H new ATOM 1202 N MET A 83 1.463 -3.177 2.018 1.00 50.00 N ATOM 1203 CA MET A 83 0.733 -3.605 3.248 1.00 50.00 C ATOM 1204 C MET A 83 0.571 -5.129 3.264 1.00 50.00 C ATOM 1205 O MET A 83 0.651 -5.780 2.242 1.00 50.00 O ATOM 1206 CB MET A 83 -0.631 -2.920 3.153 1.00 50.00 C ATOM 1207 CG MET A 83 -1.263 -3.227 1.795 1.00 50.00 C ATOM 1208 SD MET A 83 -2.901 -2.465 1.703 1.00 50.00 S ATOM 1209 CE MET A 83 -2.610 -1.482 0.212 1.00 50.00 C ATOM 0 H MET A 83 1.419 -3.833 1.238 1.00 50.00 H new ATOM 0 HA MET A 83 1.263 -3.334 4.161 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.281 -3.268 3.956 1.00 50.00 H new ATOM 0 HB3 MET A 83 -0.518 -1.843 3.278 1.00 50.00 H new ATOM 0 HG2 MET A 83 -0.629 -2.848 0.993 1.00 50.00 H new ATOM 0 HG3 MET A 83 -1.344 -4.305 1.655 1.00 50.00 H new ATOM 0 HE1 MET A 83 -3.510 -0.918 -0.034 1.00 50.00 H new ATOM 0 HE2 MET A 83 -1.786 -0.791 0.387 1.00 50.00 H new ATOM 0 HE3 MET A 83 -2.359 -2.144 -0.617 1.00 50.00 H new ATOM 1219 N GLU A 84 0.347 -5.705 4.416 1.00 50.00 N ATOM 1220 CA GLU A 84 0.187 -7.176 4.492 1.00 50.00 C ATOM 1221 C GLU A 84 -1.226 -7.545 4.955 1.00 50.00 C ATOM 1222 O GLU A 84 -1.395 -8.238 5.938 1.00 50.00 O ATOM 1223 CB GLU A 84 1.223 -7.642 5.517 1.00 50.00 C ATOM 1224 CG GLU A 84 1.393 -6.585 6.611 1.00 50.00 C ATOM 1225 CD GLU A 84 1.908 -7.255 7.887 1.00 50.00 C ATOM 1226 OE1 GLU A 84 1.127 -7.939 8.529 1.00 50.00 O ATOM 1227 OE2 GLU A 84 3.073 -7.074 8.198 1.00 50.00 O ATOM 0 H GLU A 84 0.269 -5.214 5.306 1.00 50.00 H new ATOM 0 HA GLU A 84 0.332 -7.648 3.520 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.909 -8.587 5.959 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.178 -7.823 5.024 1.00 50.00 H new ATOM 0 HG2 GLU A 84 2.092 -5.815 6.283 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.442 -6.090 6.805 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.196 -7.073 4.221 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.614 -7.362 4.552 1.00 50.00 C ATOM 1236 C PRO A 85 -3.946 -8.826 4.255 1.00 50.00 C ATOM 1237 O PRO A 85 -3.161 -9.532 3.651 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.393 -6.431 3.627 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.471 -6.168 2.480 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.068 -6.234 3.025 1.00 50.00 C ATOM 0 HA PRO A 85 -3.848 -7.206 5.605 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.320 -6.894 3.290 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.665 -5.506 4.135 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.615 -6.907 1.691 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.669 -5.190 2.041 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.378 -6.670 2.302 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.687 -5.243 3.271 1.00 50.00 H new ATOM 1248 N PRO A 86 -5.106 -9.232 4.690 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.560 -10.629 4.471 1.00 50.00 C ATOM 1250 C PRO A 86 -5.879 -10.862 2.991 1.00 50.00 C ATOM 1251 O PRO A 86 -6.075 -9.933 2.234 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.821 -10.732 5.327 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.314 -9.327 5.455 1.00 50.00 C ATOM 1254 CD PRO A 86 -6.099 -8.436 5.420 1.00 50.00 C ATOM 0 HA PRO A 86 -4.809 -11.373 4.737 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.567 -11.371 4.856 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.602 -11.164 6.303 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.997 -9.081 4.642 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.865 -9.194 6.386 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.308 -7.494 4.914 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.754 -8.189 6.424 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.933 -12.098 2.575 1.00 50.00 N ATOM 1263 CA PHE A 87 -6.240 -12.389 1.139 1.00 50.00 C ATOM 1264 C PHE A 87 -7.729 -12.165 0.862 1.00 50.00 C ATOM 1265 O PHE A 87 -8.572 -12.421 1.697 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.869 -13.862 0.926 1.00 50.00 C ATOM 1267 CG PHE A 87 -6.100 -14.637 2.200 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -7.403 -14.831 2.675 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -5.011 -15.151 2.913 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -7.616 -15.541 3.861 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -5.223 -15.859 4.100 1.00 50.00 C ATOM 1272 CZ PHE A 87 -6.526 -16.054 4.575 1.00 50.00 C ATOM 0 H PHE A 87 -5.779 -12.918 3.162 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.686 -11.736 0.465 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.468 -14.284 0.119 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -4.825 -13.944 0.624 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -8.243 -14.432 2.126 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -4.006 -15.001 2.546 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -8.621 -15.694 4.226 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -4.382 -16.255 4.650 1.00 50.00 H new ATOM 0 HZ PHE A 87 -6.690 -16.600 5.492 1.00 50.00 H new ATOM 1282 N GLY A 88 -8.057 -11.684 -0.307 1.00 50.00 N ATOM 1283 CA GLY A 88 -9.489 -11.439 -0.638 1.00 50.00 C ATOM 1284 C GLY A 88 -9.691 -9.954 -0.937 1.00 50.00 C ATOM 1285 O GLY A 88 -8.767 -9.167 -0.867 1.00 50.00 O ATOM 0 H GLY A 88 -7.395 -11.450 -1.047 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.783 -12.039 -1.500 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -10.124 -11.744 0.194 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.889 -9.562 -1.270 1.00 50.00 N ATOM 1290 CA ASP A 89 -11.140 -8.125 -1.573 1.00 50.00 C ATOM 1291 C ASP A 89 -10.991 -7.285 -0.301 1.00 50.00 C ATOM 1292 O ASP A 89 -11.539 -7.606 0.735 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.578 -8.071 -2.086 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.732 -6.892 -3.049 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -12.395 -5.787 -2.660 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -13.183 -7.117 -4.161 1.00 50.00 O ATOM 0 H ASP A 89 -11.703 -10.172 -1.345 1.00 50.00 H new ATOM 0 HA ASP A 89 -10.434 -7.727 -2.302 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -12.830 -9.003 -2.592 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -13.270 -7.965 -1.250 1.00 50.00 H new ATOM 1301 N SER A 90 -10.250 -6.213 -0.371 1.00 50.00 N ATOM 1302 CA SER A 90 -10.064 -5.354 0.834 1.00 50.00 C ATOM 1303 C SER A 90 -10.569 -3.937 0.560 1.00 50.00 C ATOM 1304 O SER A 90 -10.380 -3.398 -0.513 1.00 50.00 O ATOM 1305 CB SER A 90 -8.557 -5.348 1.085 1.00 50.00 C ATOM 1306 OG SER A 90 -7.979 -6.507 0.499 1.00 50.00 O ATOM 0 H SER A 90 -9.765 -5.894 -1.210 1.00 50.00 H new ATOM 0 HA SER A 90 -10.620 -5.725 1.695 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.109 -4.450 0.660 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.355 -5.329 2.156 1.00 50.00 H new ATOM 0 HG SER A 90 -7.012 -6.506 0.657 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.206 -3.325 1.522 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.714 -1.941 1.311 1.00 50.00 C ATOM 1314 C TYR A 91 -10.685 -0.929 1.817 1.00 50.00 C ATOM 1315 O TYR A 91 -10.526 -0.733 3.006 1.00 50.00 O ATOM 1316 CB TYR A 91 -13.002 -1.861 2.132 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.171 -2.319 1.289 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -13.949 -3.059 0.121 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.479 -2.002 1.677 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -15.034 -3.482 -0.658 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.564 -2.425 0.899 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.341 -3.166 -0.269 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.410 -3.582 -1.037 1.00 49.57 O ATOM 0 H TYR A 91 -11.396 -3.723 2.442 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.893 -1.717 0.259 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.917 -2.484 3.022 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -13.165 -0.839 2.473 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -12.941 -3.304 -0.179 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.651 -1.431 2.577 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -14.862 -4.052 -1.559 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -17.572 -2.180 1.199 1.00 50.00 H new ATOM 0 HH TYR A 91 -18.246 -3.280 -0.625 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.980 -0.289 0.925 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.960 0.706 1.364 1.00 50.00 C ATOM 1335 C ILE A 92 -9.543 2.118 1.288 1.00 50.00 C ATOM 1336 O ILE A 92 -10.036 2.536 0.262 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.796 0.553 0.380 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -7.590 -0.929 0.049 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -6.520 1.112 1.010 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -7.683 -1.760 1.329 1.00 50.00 C ATOM 0 H ILE A 92 -10.065 -0.411 -0.084 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.641 0.543 2.394 1.00 50.00 H new ATOM 0 HB ILE A 92 -8.024 1.100 -0.535 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -8.343 -1.260 -0.667 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -6.617 -1.075 -0.421 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -5.691 1.004 0.310 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -6.662 2.167 1.244 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -6.296 0.564 1.925 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -7.536 -2.813 1.090 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -6.914 -1.436 2.030 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -8.666 -1.624 1.781 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.500 2.855 2.363 1.00 50.00 N ATOM 1353 CA VAL A 93 -10.066 4.235 2.333 1.00 50.00 C ATOM 1354 C VAL A 93 -9.023 5.261 2.784 1.00 50.00 C ATOM 1355 O VAL A 93 -8.461 5.161 3.856 1.00 50.00 O ATOM 1356 CB VAL A 93 -11.237 4.201 3.313 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -12.028 5.505 3.213 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -12.153 3.022 2.972 1.00 50.00 C ATOM 0 H VAL A 93 -9.101 2.565 3.256 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.375 4.526 1.329 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.856 4.086 4.328 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.863 5.479 3.913 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -11.377 6.345 3.456 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.409 5.623 2.198 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.989 2.997 3.671 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.532 3.138 1.957 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.591 2.091 3.045 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.767 6.252 1.973 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.772 7.293 2.354 1.00 50.00 C ATOM 1370 C VAL A 94 -8.495 8.594 2.714 1.00 50.00 C ATOM 1371 O VAL A 94 -8.979 9.303 1.855 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.909 7.485 1.107 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.867 8.576 1.368 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -6.200 6.170 0.775 1.00 50.00 C ATOM 0 H VAL A 94 -9.205 6.385 1.062 1.00 50.00 H new ATOM 0 HA VAL A 94 -7.176 7.007 3.220 1.00 50.00 H new ATOM 0 HB VAL A 94 -7.540 7.782 0.269 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -5.252 8.712 0.478 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -6.372 9.512 1.607 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -5.234 8.282 2.205 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.584 6.303 -0.114 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.569 5.875 1.613 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.942 5.394 0.589 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.580 8.909 3.978 1.00 50.00 N ATOM 1385 CA GLY A 95 -9.283 10.161 4.384 1.00 50.00 C ATOM 1386 C GLY A 95 -8.512 10.851 5.511 1.00 50.00 C ATOM 1387 O GLY A 95 -7.775 10.225 6.247 1.00 50.00 O ATOM 0 H GLY A 95 -8.195 8.357 4.744 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -9.372 10.832 3.529 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -10.296 9.929 4.714 1.00 50.00 H new ATOM 1391 N MET A 96 -8.681 12.138 5.652 1.00 50.00 N ATOM 1392 CA MET A 96 -7.961 12.874 6.732 1.00 50.00 C ATOM 1393 C MET A 96 -8.950 13.353 7.799 1.00 50.00 C ATOM 1394 O MET A 96 -8.957 12.871 8.913 1.00 50.00 O ATOM 1395 CB MET A 96 -7.310 14.066 6.030 1.00 50.00 C ATOM 1396 CG MET A 96 -6.516 14.888 7.048 1.00 50.00 C ATOM 1397 SD MET A 96 -6.624 16.644 6.622 1.00 50.00 S ATOM 1398 CE MET A 96 -6.502 16.454 4.826 1.00 50.00 C ATOM 0 H MET A 96 -9.287 12.712 5.066 1.00 50.00 H new ATOM 0 HA MET A 96 -7.227 12.248 7.240 1.00 50.00 H new ATOM 0 HB2 MET A 96 -6.651 13.718 5.235 1.00 50.00 H new ATOM 0 HB3 MET A 96 -8.074 14.687 5.562 1.00 50.00 H new ATOM 0 HG2 MET A 96 -6.908 14.721 8.051 1.00 50.00 H new ATOM 0 HG3 MET A 96 -5.474 14.568 7.056 1.00 50.00 H new ATOM 0 HE1 MET A 96 -6.109 17.372 4.389 1.00 50.00 H new ATOM 0 HE2 MET A 96 -5.833 15.626 4.592 1.00 50.00 H new ATOM 0 HE3 MET A 96 -7.490 16.250 4.414 1.00 50.00 H new ATOM 1408 N GLY A 97 -9.785 14.301 7.466 1.00 50.00 N ATOM 1409 CA GLY A 97 -10.770 14.809 8.462 1.00 50.00 C ATOM 1410 C GLY A 97 -11.870 15.593 7.743 1.00 50.00 C ATOM 1411 O GLY A 97 -12.466 16.496 8.296 1.00 50.00 O ATOM 0 H GLY A 97 -9.827 14.744 6.548 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -11.205 13.977 9.015 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -10.270 15.448 9.189 1.00 50.00 H new ATOM 1415 N ASP A 98 -12.146 15.255 6.512 1.00 50.00 N ATOM 1416 CA ASP A 98 -13.208 15.982 5.760 1.00 50.00 C ATOM 1417 C ASP A 98 -13.685 15.142 4.571 1.00 50.00 C ATOM 1418 O ASP A 98 -14.866 14.928 4.385 1.00 50.00 O ATOM 1419 CB ASP A 98 -12.539 17.268 5.274 1.00 50.00 C ATOM 1420 CG ASP A 98 -13.393 18.472 5.676 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -13.662 18.615 6.857 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -13.764 19.230 4.794 1.00 50.00 O ATOM 0 H ASP A 98 -11.682 14.508 5.995 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.084 16.186 6.376 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -11.542 17.356 5.704 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -12.418 17.240 4.191 1.00 50.00 H new ATOM 1427 N LYS A 99 -12.775 14.664 3.768 1.00 50.00 N ATOM 1428 CA LYS A 99 -13.171 13.839 2.599 1.00 50.00 C ATOM 1429 C LYS A 99 -12.424 12.502 2.619 1.00 50.00 C ATOM 1430 O LYS A 99 -11.312 12.410 3.099 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.770 14.663 1.375 1.00 50.00 C ATOM 1432 CG LYS A 99 -13.566 15.969 1.356 1.00 50.00 C ATOM 1433 CD LYS A 99 -14.170 16.180 -0.034 1.00 50.00 C ATOM 1434 CE LYS A 99 -13.457 17.342 -0.730 1.00 50.00 C ATOM 1435 NZ LYS A 99 -14.394 18.494 -0.611 1.00 50.00 N ATOM 0 H LYS A 99 -11.771 14.811 3.874 1.00 50.00 H new ATOM 0 HA LYS A 99 -14.236 13.607 2.599 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -11.701 14.876 1.401 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -12.960 14.096 0.464 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -14.356 15.936 2.106 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -12.917 16.806 1.613 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -14.071 15.271 -0.627 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -15.236 16.391 0.049 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -12.501 17.560 -0.255 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -13.248 17.109 -1.774 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -13.975 19.330 -1.066 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -15.293 18.260 -1.078 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -14.569 18.697 0.394 1.00 50.00 H new ATOM 1449 N GLN A 100 -13.026 11.464 2.104 1.00 0.00 N ATOM 1450 CA GLN A 100 -12.343 10.138 2.101 1.00 0.00 C ATOM 1451 C GLN A 100 -12.598 9.407 0.780 1.00 0.00 C ATOM 1452 O GLN A 100 -13.629 9.561 0.157 1.00 0.00 O ATOM 1453 CB GLN A 100 -12.945 9.354 3.276 1.00 0.00 C ATOM 1454 CG GLN A 100 -14.273 9.981 3.710 1.00 0.00 C ATOM 1455 CD GLN A 100 -15.282 9.892 2.564 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -16.136 10.744 2.424 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -15.219 8.888 1.735 1.00 0.00 N ATOM 0 H GLN A 100 -13.957 11.476 1.687 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.263 10.243 2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.103 8.315 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.247 9.348 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.660 9.466 4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.120 11.022 3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.501 8.173 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.887 8.817 0.968 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.659 8.610 0.351 1.00 0.00 N ATOM 1467 CA ILE A 101 -11.832 7.859 -0.926 1.00 0.00 C ATOM 1468 C ILE A 101 -11.605 6.366 -0.677 1.00 0.00 C ATOM 1469 O ILE A 101 -10.576 5.963 -0.170 1.00 0.00 O ATOM 1470 CB ILE A 101 -10.764 8.422 -1.864 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -11.050 7.961 -3.296 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -9.386 7.918 -1.432 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -10.884 6.444 -3.393 1.00 0.00 C ATOM 0 H ILE A 101 -10.775 8.445 0.832 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.832 7.967 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.781 9.511 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -12.062 8.245 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -10.371 8.456 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.625 8.320 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -9.182 8.245 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.367 6.829 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.088 6.120 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.864 6.172 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -11.582 5.957 -2.711 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.557 5.541 -1.015 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.386 4.078 -0.778 1.00 0.00 C ATOM 1487 C ASN A 102 -12.249 3.324 -2.103 1.00 0.00 C ATOM 1488 O ASN A 102 -12.990 3.549 -3.039 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.655 3.646 -0.044 1.00 0.00 C ATOM 1490 CG ASN A 102 -14.878 3.940 -0.915 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -14.894 4.906 -1.653 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -15.909 3.143 -0.861 1.00 0.00 N ATOM 0 H ASN A 102 -13.442 5.813 -1.443 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.485 3.862 -0.205 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.609 2.582 0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.736 4.176 0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.729 3.330 -1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.895 2.333 -0.242 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.306 2.424 -2.184 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.118 1.644 -3.439 1.00 0.00 C ATOM 1501 C HIS A 103 -11.106 0.145 -3.130 1.00 0.00 C ATOM 1502 O HIS A 103 -10.329 -0.329 -2.325 1.00 0.00 O ATOM 1503 CB HIS A 103 -9.764 2.094 -3.988 1.00 0.00 C ATOM 1504 CG HIS A 103 -9.983 3.162 -5.021 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -11.173 3.865 -5.109 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -9.179 3.659 -6.016 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -11.055 4.738 -6.124 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -9.857 4.654 -6.713 1.00 0.00 N ATOM 0 H HIS A 103 -10.656 2.195 -1.432 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.921 1.813 -4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.138 2.475 -3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.237 1.248 -4.428 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -11.991 3.742 -4.512 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.173 3.328 -6.226 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.832 5.424 -6.427 1.00 0.00 H new ATOM 1516 N HIS A 104 -11.968 -0.602 -3.763 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.017 -2.071 -3.508 1.00 0.00 C ATOM 1518 C HIS A 104 -10.889 -2.781 -4.265 1.00 0.00 C ATOM 1519 O HIS A 104 -10.998 -3.056 -5.444 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.381 -2.519 -4.037 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.420 -1.487 -3.693 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -14.619 -1.041 -2.395 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -15.324 -0.802 -4.466 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -15.606 -0.127 -2.427 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -16.072 0.056 -3.666 1.00 0.00 N ATOM 0 H HIS A 104 -12.642 -0.259 -4.447 1.00 0.00 H new ATOM 0 HA HIS A 104 -11.889 -2.310 -2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.336 -2.658 -5.117 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -13.652 -3.481 -3.603 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -14.110 -1.350 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -15.438 -0.912 -5.534 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -15.976 0.395 -1.557 1.00 0.00 H new ATOM 1533 N TRP A 105 -9.807 -3.076 -3.598 1.00 0.00 N ATOM 1534 CA TRP A 105 -8.677 -3.762 -4.276 1.00 0.00 C ATOM 1535 C TRP A 105 -8.772 -5.278 -4.075 1.00 0.00 C ATOM 1536 O TRP A 105 -9.444 -5.755 -3.182 1.00 0.00 O ATOM 1537 CB TRP A 105 -7.418 -3.211 -3.605 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.033 -1.918 -4.249 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -6.768 -0.770 -3.585 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -6.866 -1.621 -5.666 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -6.449 0.214 -4.505 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -6.496 -0.261 -5.799 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -7.000 -2.390 -6.836 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -6.264 0.314 -7.050 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -6.768 -1.813 -8.097 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -6.401 -0.464 -8.202 1.00 0.00 C ATOM 0 H TRP A 105 -9.659 -2.870 -2.610 1.00 0.00 H new ATOM 0 HA TRP A 105 -8.678 -3.587 -5.352 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.597 -3.060 -2.541 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -6.603 -3.929 -3.692 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.800 -0.642 -2.513 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -6.208 1.173 -4.256 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -7.283 -3.430 -6.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -5.981 1.353 -7.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -6.873 -2.412 -8.989 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -6.224 -0.026 -9.173 1.00 0.00 H new ATOM 1557 N HIS A 106 -8.101 -6.037 -4.898 1.00 0.00 N ATOM 1558 CA HIS A 106 -8.148 -7.520 -4.754 1.00 0.00 C ATOM 1559 C HIS A 106 -6.840 -8.137 -5.260 1.00 0.00 C ATOM 1560 O HIS A 106 -6.321 -7.753 -6.290 1.00 0.00 O ATOM 1561 CB HIS A 106 -9.324 -7.969 -5.621 1.00 0.00 C ATOM 1562 CG HIS A 106 -9.186 -7.381 -6.997 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -9.554 -6.075 -7.284 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -8.724 -7.907 -8.179 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -9.309 -5.862 -8.589 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -8.803 -6.947 -9.183 1.00 0.00 N ATOM 0 H HIS A 106 -7.522 -5.694 -5.664 1.00 0.00 H new ATOM 0 HA HIS A 106 -8.269 -7.831 -3.716 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -9.351 -9.057 -5.680 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.264 -7.650 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.355 -8.914 -8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.498 -4.927 -9.096 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -8.533 -7.049 -10.161 1.00 0.00 H new ATOM 1574 N LYS A 107 -6.304 -9.087 -4.545 1.00 0.00 N ATOM 1575 CA LYS A 107 -5.028 -9.721 -4.986 1.00 0.00 C ATOM 1576 C LYS A 107 -5.307 -11.046 -5.701 1.00 0.00 C ATOM 1577 O LYS A 107 -4.424 -11.646 -6.281 1.00 0.00 O ATOM 1578 CB LYS A 107 -4.242 -9.965 -3.697 1.00 0.00 C ATOM 1579 CG LYS A 107 -2.852 -10.504 -4.041 1.00 0.00 C ATOM 1580 CD LYS A 107 -2.155 -10.968 -2.761 1.00 0.00 C ATOM 1581 CE LYS A 107 -1.950 -12.484 -2.810 1.00 0.00 C ATOM 1582 NZ LYS A 107 -2.904 -13.032 -1.807 1.00 0.00 N ATOM 0 H LYS A 107 -6.693 -9.452 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.480 -9.093 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.154 -9.038 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.773 -10.676 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.935 -11.333 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.261 -9.730 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.194 -10.464 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.754 -10.700 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.154 -12.878 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.922 -12.752 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.823 -14.069 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.681 -12.644 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.875 -12.767 -2.070 1.00 0.00 H new ATOM 1596 N ALA A 108 -6.526 -11.508 -5.664 1.00 0.00 N ATOM 1597 CA ALA A 108 -6.853 -12.795 -6.344 1.00 0.00 C ATOM 1598 C ALA A 108 -7.520 -12.527 -7.696 1.00 0.00 C ATOM 1599 O ALA A 108 -8.498 -11.813 -7.787 1.00 0.00 O ATOM 1600 CB ALA A 108 -7.822 -13.508 -5.399 1.00 0.00 C ATOM 0 H ALA A 108 -7.308 -11.053 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.964 -13.393 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.111 -14.467 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.337 -13.674 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.710 -12.892 -5.256 1.00 0.00 H new ATOM 1606 N GLY A 109 -6.998 -13.098 -8.747 1.00 0.00 N ATOM 1607 CA GLY A 109 -7.601 -12.881 -10.092 1.00 0.00 C ATOM 1608 C GLY A 109 -8.648 -13.963 -10.361 1.00 0.00 C ATOM 1609 O GLY A 109 -8.331 -15.055 -10.790 1.00 0.00 O ATOM 0 H GLY A 109 -6.179 -13.706 -8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.061 -11.894 -10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.827 -12.910 -10.859 1.00 0.00 H new ATOM 1613 N SER A 110 -9.894 -13.670 -10.109 1.00 0.00 N ATOM 1614 CA SER A 110 -10.960 -14.684 -10.347 1.00 0.00 C ATOM 1615 C SER A 110 -11.845 -14.259 -11.523 1.00 0.00 C ATOM 1616 O SER A 110 -11.830 -14.868 -12.575 1.00 0.00 O ATOM 1617 CB SER A 110 -11.770 -14.718 -9.053 1.00 0.00 C ATOM 1618 OG SER A 110 -11.066 -15.473 -8.077 1.00 0.00 O ATOM 0 H SER A 110 -10.220 -12.773 -9.749 1.00 0.00 H new ATOM 0 HA SER A 110 -10.549 -15.662 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.941 -13.704 -8.691 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.749 -15.161 -9.235 1.00 0.00 H new ATOM 0 HG SER A 110 -11.583 -15.495 -7.245 1.00 0.00 H new ATOM 1624 N THR A 111 -12.617 -13.221 -11.353 1.00 0.00 N ATOM 1625 CA THR A 111 -13.502 -12.762 -12.462 1.00 0.00 C ATOM 1626 C THR A 111 -14.114 -11.399 -12.125 1.00 0.00 C ATOM 1627 O THR A 111 -13.742 -10.841 -11.106 1.00 49.57 O ATOM 1628 CB THR A 111 -14.591 -13.830 -12.564 1.00 0.00 C ATOM 1629 OG1 THR A 111 -15.599 -13.391 -13.463 1.00 0.00 O ATOM 1630 CG2 THR A 111 -15.204 -14.068 -11.183 1.00 0.00 C ATOM 1631 OXT THR A 111 -14.944 -10.940 -12.891 1.00 49.57 O ATOM 0 H THR A 111 -12.674 -12.671 -10.496 1.00 0.00 H new ATOM 0 HA THR A 111 -12.960 -12.640 -13.400 1.00 0.00 H new ATOM 0 HB THR A 111 -14.157 -14.760 -12.931 1.00 0.00 H new ATOM 0 HG1 THR A 111 -15.437 -12.455 -13.704 1.00 0.00 H new ATOM 0 HG21 THR A 111 -15.980 -14.830 -11.256 1.00 0.00 H new ATOM 0 HG22 THR A 111 -14.429 -14.405 -10.494 1.00 0.00 H new ATOM 0 HG23 THR A 111 -15.640 -13.140 -10.813 1.00 0.00 H new TER 1639 THR A 111