USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 136:sc= -4.94! (180deg=-7.64!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -144:sc= -1.42! USER MOD Single : A 9 SER OG : rot -43:sc= 1.73 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 48:sc= 0.93 USER MOD Single : A 20 HIS : no HD1:sc= -14.9! C(o=-15!,f=-19!) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.54 F(o=-1.5!,f=-0.54) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 57:sc= 1.12 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -3:sc= -3.82! USER MOD Single : A 58 THR OG1 : rot 173:sc= -5.37! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.029 (180deg=-0.528) USER MOD Single : A 70 SER OG : rot 97:sc= -0.207 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.588 F(o=-2.2,f=-0.59) USER MOD Single : A 73 TYR OH : rot 30:sc= -3.34! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -9.28! C(o=-9.3!,f=-15!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 19.732 3.108 1.551 1.00 0.00 N ATOM 2 CA LEU A 1 20.159 1.932 2.362 1.00 0.00 C ATOM 3 C LEU A 1 18.982 0.969 2.530 1.00 0.00 C ATOM 4 O LEU A 1 17.959 1.100 1.884 1.00 0.00 O ATOM 5 CB LEU A 1 20.636 2.404 3.738 1.00 0.00 C ATOM 6 CG LEU A 1 19.612 3.370 4.336 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.458 2.576 4.950 1.00 0.00 C ATOM 8 CD2 LEU A 1 20.283 4.213 5.422 1.00 0.00 C ATOM 0 H1 LEU A 1 20.096 3.980 1.986 1.00 0.00 H new ATOM 0 H2 LEU A 1 20.109 3.019 0.586 1.00 0.00 H new ATOM 0 H3 LEU A 1 18.693 3.146 1.515 1.00 0.00 H new ATOM 0 HA LEU A 1 20.975 1.419 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.772 1.548 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.605 2.895 3.649 1.00 0.00 H new ATOM 0 HG LEU A 1 19.227 4.022 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 1 17.729 3.265 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 1 17.980 1.973 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.842 1.924 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 1 19.555 4.902 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 1 20.667 3.559 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.106 4.779 4.986 1.00 0.00 H new ATOM 22 N LYS A 2 19.123 -0.001 3.392 1.00 0.00 N ATOM 23 CA LYS A 2 18.021 -0.982 3.608 1.00 0.00 C ATOM 24 C LYS A 2 16.717 -0.235 3.903 1.00 0.00 C ATOM 25 O LYS A 2 16.708 0.716 4.658 1.00 0.00 O ATOM 26 CB LYS A 2 18.369 -1.884 4.793 1.00 0.00 C ATOM 27 CG LYS A 2 18.511 -3.329 4.311 1.00 0.00 C ATOM 28 CD LYS A 2 17.965 -4.280 5.379 1.00 0.00 C ATOM 29 CE LYS A 2 19.128 -4.976 6.087 1.00 0.00 C ATOM 30 NZ LYS A 2 19.559 -4.158 7.256 1.00 0.00 N ATOM 0 H LYS A 2 19.957 -0.157 3.958 1.00 0.00 H new ATOM 0 HA LYS A 2 17.895 -1.588 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.298 -1.551 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.592 -1.818 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.969 -3.466 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.558 -3.555 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.365 -3.726 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.309 -5.020 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.825 -5.970 6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.961 -5.110 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.350 -4.631 7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.864 -3.219 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.764 -4.052 7.918 1.00 0.00 H new ATOM 44 N PRO A 3 15.637 -0.746 3.365 1.00 0.00 N ATOM 45 CA PRO A 3 14.338 -0.055 3.384 1.00 0.00 C ATOM 46 C PRO A 3 13.673 -0.211 4.752 1.00 0.00 C ATOM 47 O PRO A 3 12.990 -1.181 5.010 1.00 0.00 O ATOM 48 CB PRO A 3 13.531 -0.773 2.301 1.00 0.00 C ATOM 49 CG PRO A 3 14.182 -2.164 2.123 1.00 0.00 C ATOM 50 CD PRO A 3 15.611 -2.059 2.689 1.00 0.00 C ATOM 0 HA PRO A 3 14.420 1.017 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.486 -0.868 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.550 -0.213 1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.612 -2.929 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.202 -2.450 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.824 -2.870 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.358 -2.114 1.897 1.00 0.00 H new ATOM 58 N LYS A 4 13.862 0.738 5.628 1.00 0.00 N ATOM 59 CA LYS A 4 13.232 0.639 6.970 1.00 0.00 C ATOM 60 C LYS A 4 11.751 0.987 6.846 1.00 0.00 C ATOM 61 O LYS A 4 11.347 2.098 7.123 1.00 0.00 O ATOM 62 CB LYS A 4 13.912 1.621 7.927 1.00 0.00 C ATOM 63 CG LYS A 4 13.264 1.520 9.309 1.00 0.00 C ATOM 64 CD LYS A 4 14.075 2.340 10.314 1.00 0.00 C ATOM 65 CE LYS A 4 13.872 3.832 10.040 1.00 0.00 C ATOM 66 NZ LYS A 4 15.185 4.533 10.108 1.00 0.00 N ATOM 0 H LYS A 4 14.424 1.574 5.471 1.00 0.00 H new ATOM 0 HA LYS A 4 13.342 -0.373 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.977 1.399 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.822 2.638 7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.238 1.886 9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.219 0.478 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.763 2.101 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.132 2.086 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.422 3.974 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.183 4.256 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.047 5.547 9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.597 4.408 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.829 4.134 9.395 1.00 0.00 H new ATOM 80 N ILE A 5 10.947 0.042 6.424 1.00 0.00 N ATOM 81 CA ILE A 5 9.485 0.299 6.271 1.00 0.00 C ATOM 82 C ILE A 5 8.805 0.143 7.633 1.00 0.00 C ATOM 83 O ILE A 5 8.707 -0.942 8.173 1.00 0.00 O ATOM 84 CB ILE A 5 8.903 -0.697 5.258 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.508 -0.240 4.823 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.811 -2.088 5.885 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.384 -0.361 3.304 1.00 0.00 C ATOM 0 H ILE A 5 11.245 -0.902 6.178 1.00 0.00 H new ATOM 0 HA ILE A 5 9.314 1.312 5.906 1.00 0.00 H new ATOM 0 HB ILE A 5 9.559 -0.738 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.746 -0.848 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.339 0.792 5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.397 -2.788 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.806 -2.420 6.182 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.164 -2.050 6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.391 -0.036 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.137 0.266 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.535 -1.399 3.008 1.00 0.00 H new ATOM 99 N LEU A 6 8.354 1.227 8.205 1.00 0.00 N ATOM 100 CA LEU A 6 7.703 1.151 9.543 1.00 0.00 C ATOM 101 C LEU A 6 6.180 1.191 9.400 1.00 0.00 C ATOM 102 O LEU A 6 5.463 1.000 10.362 1.00 0.00 O ATOM 103 CB LEU A 6 8.163 2.333 10.398 1.00 0.00 C ATOM 104 CG LEU A 6 8.912 1.816 11.626 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.177 1.080 11.182 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.297 2.996 12.520 1.00 0.00 C ATOM 0 H LEU A 6 8.409 2.163 7.802 1.00 0.00 H new ATOM 0 HA LEU A 6 7.987 0.213 10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.810 2.988 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.303 2.928 10.707 1.00 0.00 H new ATOM 0 HG LEU A 6 8.271 1.131 12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.710 0.712 12.058 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.904 0.240 10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.820 1.763 10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.831 2.629 13.396 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.938 3.680 11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.396 3.521 12.838 1.00 0.00 H new ATOM 118 N THR A 7 5.679 1.444 8.215 1.00 0.00 N ATOM 119 CA THR A 7 4.196 1.496 8.025 1.00 0.00 C ATOM 120 C THR A 7 3.526 0.408 8.871 1.00 0.00 C ATOM 121 O THR A 7 3.839 -0.761 8.759 1.00 0.00 O ATOM 122 CB THR A 7 3.859 1.266 6.551 1.00 0.00 C ATOM 123 OG1 THR A 7 2.475 0.974 6.426 1.00 0.00 O ATOM 124 CG2 THR A 7 4.681 0.093 6.015 1.00 0.00 C ATOM 0 H THR A 7 6.231 1.616 7.374 1.00 0.00 H new ATOM 0 HA THR A 7 3.831 2.475 8.336 1.00 0.00 H new ATOM 0 HB THR A 7 4.095 2.163 5.978 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.342 0.319 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.440 -0.070 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.743 0.318 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.447 -0.806 6.585 1.00 0.00 H new ATOM 132 N ALA A 8 2.612 0.787 9.721 1.00 0.00 N ATOM 133 CA ALA A 8 1.926 -0.219 10.582 1.00 0.00 C ATOM 134 C ALA A 8 1.489 -1.411 9.739 1.00 0.00 C ATOM 135 O ALA A 8 1.826 -2.544 10.015 1.00 0.00 O ATOM 136 CB ALA A 8 0.699 0.421 11.235 1.00 0.00 C ATOM 0 H ALA A 8 2.310 1.752 9.857 1.00 0.00 H new ATOM 0 HA ALA A 8 2.616 -0.560 11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.197 -0.314 11.864 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.012 1.268 11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.013 0.765 10.461 1.00 0.00 H new ATOM 142 N SER A 9 0.739 -1.155 8.717 1.00 0.00 N ATOM 143 CA SER A 9 0.264 -2.260 7.839 1.00 0.00 C ATOM 144 C SER A 9 -0.591 -3.231 8.656 1.00 0.00 C ATOM 145 O SER A 9 -0.095 -3.964 9.489 1.00 0.00 O ATOM 146 CB SER A 9 1.469 -2.998 7.255 1.00 0.00 C ATOM 147 OG SER A 9 1.675 -4.210 7.971 1.00 0.00 O ATOM 0 H SER A 9 0.428 -0.222 8.444 1.00 0.00 H new ATOM 0 HA SER A 9 -0.336 -1.849 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.302 -3.211 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.358 -2.371 7.317 1.00 0.00 H new ATOM 0 HG SER A 9 1.573 -4.044 8.931 1.00 0.00 H new ATOM 153 N ARG A 10 -1.875 -3.241 8.423 1.00 0.00 N ATOM 154 CA ARG A 10 -2.770 -4.160 9.181 1.00 0.00 C ATOM 155 C ARG A 10 -4.080 -4.324 8.420 1.00 0.00 C ATOM 156 O ARG A 10 -4.271 -5.265 7.677 1.00 0.00 O ATOM 157 CB ARG A 10 -3.053 -3.573 10.566 1.00 0.00 C ATOM 158 CG ARG A 10 -2.436 -4.474 11.638 1.00 0.00 C ATOM 159 CD ARG A 10 -1.411 -3.678 12.447 1.00 0.00 C ATOM 160 NE ARG A 10 -1.297 -4.260 13.814 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.368 -4.446 14.536 1.00 0.00 C ATOM 162 NH1 ARG A 10 -3.338 -3.574 14.501 1.00 0.00 N ATOM 163 NH2 ARG A 10 -2.470 -5.504 15.292 1.00 0.00 N ATOM 0 H ARG A 10 -2.344 -2.650 7.737 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.287 -5.131 9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.638 -2.568 10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.128 -3.486 10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.215 -4.859 12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.957 -5.336 11.172 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.442 -3.700 11.949 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.713 -2.633 12.509 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.381 -4.513 14.186 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.259 -2.747 13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.175 -3.719 15.065 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.712 -6.186 15.319 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.307 -5.649 15.856 1.00 0.00 H new ATOM 177 N LYS A 11 -4.975 -3.405 8.596 1.00 0.00 N ATOM 178 CA LYS A 11 -6.280 -3.480 7.882 1.00 0.00 C ATOM 179 C LYS A 11 -6.736 -2.069 7.514 1.00 0.00 C ATOM 180 O LYS A 11 -6.099 -1.092 7.856 1.00 0.00 O ATOM 181 CB LYS A 11 -7.332 -4.134 8.779 1.00 0.00 C ATOM 182 CG LYS A 11 -7.315 -3.469 10.157 1.00 0.00 C ATOM 183 CD LYS A 11 -8.633 -3.754 10.879 1.00 0.00 C ATOM 184 CE LYS A 11 -8.344 -4.406 12.233 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.580 -5.068 12.739 1.00 0.00 N ATOM 0 H LYS A 11 -4.863 -2.596 9.207 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.159 -4.078 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.320 -4.037 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.130 -5.201 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.478 -3.846 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.171 -2.394 10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.190 -2.828 11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.257 -4.411 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.542 -5.137 12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.003 -3.655 12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.384 -5.511 13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.333 -4.359 12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.886 -5.796 12.062 1.00 0.00 H new ATOM 199 N ILE A 12 -7.831 -1.951 6.816 1.00 0.00 N ATOM 200 CA ILE A 12 -8.319 -0.599 6.426 1.00 0.00 C ATOM 201 C ILE A 12 -9.840 -0.624 6.257 1.00 0.00 C ATOM 202 O ILE A 12 -10.352 -0.959 5.207 1.00 0.00 O ATOM 203 CB ILE A 12 -7.666 -0.190 5.105 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.176 0.073 5.335 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.329 1.083 4.577 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.007 1.253 6.293 1.00 0.00 C ATOM 0 H ILE A 12 -8.408 -2.730 6.499 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.058 0.118 7.204 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.789 -0.992 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.699 -0.816 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.683 0.288 4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.862 1.373 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.391 0.899 4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.207 1.885 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.946 1.440 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.470 2.141 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.485 1.021 7.245 1.00 0.00 H new ATOM 218 N LYS A 13 -10.567 -0.262 7.280 1.00 0.00 N ATOM 219 CA LYS A 13 -12.053 -0.256 7.172 1.00 0.00 C ATOM 220 C LYS A 13 -12.488 0.975 6.376 1.00 0.00 C ATOM 221 O LYS A 13 -12.593 2.065 6.904 1.00 0.00 O ATOM 222 CB LYS A 13 -12.669 -0.203 8.572 1.00 0.00 C ATOM 223 CG LYS A 13 -14.045 -0.872 8.549 1.00 0.00 C ATOM 224 CD LYS A 13 -14.477 -1.199 9.980 1.00 0.00 C ATOM 225 CE LYS A 13 -13.899 -2.555 10.390 1.00 0.00 C ATOM 226 NZ LYS A 13 -15.008 -3.530 10.583 1.00 0.00 N ATOM 0 H LYS A 13 -10.196 0.029 8.184 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.389 -1.161 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.019 -0.708 9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.761 0.832 8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.774 -0.212 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.008 -1.783 7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.131 -0.423 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.565 -1.220 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.212 -2.916 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.325 -2.454 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.615 -4.452 10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.647 -3.186 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.538 -3.634 9.694 1.00 0.00 H new ATOM 240 N ILE A 14 -12.731 0.812 5.106 1.00 0.00 N ATOM 241 CA ILE A 14 -13.147 1.971 4.268 1.00 0.00 C ATOM 242 C ILE A 14 -14.651 1.894 3.981 1.00 0.00 C ATOM 243 O ILE A 14 -15.157 0.886 3.538 1.00 0.00 O ATOM 244 CB ILE A 14 -12.381 1.930 2.943 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.907 1.609 3.209 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.498 3.283 2.240 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.101 1.755 1.915 1.00 0.00 C ATOM 0 H ILE A 14 -12.659 -0.077 4.610 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.929 2.898 4.799 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.806 1.156 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.512 2.280 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.811 0.594 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.952 3.252 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.548 3.502 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.078 4.061 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.054 1.525 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.489 1.066 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.186 2.778 1.547 1.00 0.00 H new ATOM 259 N LYS A 15 -15.374 2.953 4.214 1.00 0.00 N ATOM 260 CA LYS A 15 -16.836 2.915 3.930 1.00 0.00 C ATOM 261 C LYS A 15 -17.035 2.896 2.412 1.00 0.00 C ATOM 262 O LYS A 15 -16.222 3.406 1.669 1.00 0.00 O ATOM 263 CB LYS A 15 -17.511 4.153 4.525 1.00 0.00 C ATOM 264 CG LYS A 15 -16.896 4.467 5.890 1.00 0.00 C ATOM 265 CD LYS A 15 -17.976 5.025 6.820 1.00 0.00 C ATOM 266 CE LYS A 15 -18.857 3.882 7.326 1.00 0.00 C ATOM 267 NZ LYS A 15 -19.709 4.369 8.447 1.00 0.00 N ATOM 0 H LYS A 15 -15.021 3.835 4.585 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.280 2.025 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.388 5.004 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.582 3.981 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.461 3.565 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.088 5.190 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.514 5.542 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.583 5.759 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.483 3.506 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.236 3.051 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.308 3.591 8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.103 4.708 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -20.311 5.148 8.112 1.00 0.00 H new ATOM 281 N ALA A 16 -18.099 2.309 1.939 1.00 0.00 N ATOM 282 CA ALA A 16 -18.318 2.268 0.465 1.00 0.00 C ATOM 283 C ALA A 16 -18.548 3.692 -0.054 1.00 0.00 C ATOM 284 O ALA A 16 -19.109 4.525 0.628 1.00 0.00 O ATOM 285 CB ALA A 16 -19.541 1.409 0.146 1.00 0.00 C ATOM 0 H ALA A 16 -18.821 1.860 2.503 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.440 1.837 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.696 1.383 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.380 0.396 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.421 1.835 0.629 1.00 0.00 H new ATOM 291 N GLY A 17 -18.124 3.974 -1.256 1.00 0.00 N ATOM 292 CA GLY A 17 -18.316 5.339 -1.823 1.00 0.00 C ATOM 293 C GLY A 17 -17.525 6.354 -0.996 1.00 0.00 C ATOM 294 O GLY A 17 -17.955 7.472 -0.796 1.00 0.00 O ATOM 0 H GLY A 17 -17.650 3.314 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.984 5.363 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.375 5.599 -1.821 1.00 0.00 H new ATOM 298 N PHE A 18 -16.375 5.973 -0.500 1.00 0.00 N ATOM 299 CA PHE A 18 -15.575 6.930 0.327 1.00 0.00 C ATOM 300 C PHE A 18 -14.215 7.198 -0.317 1.00 0.00 C ATOM 301 O PHE A 18 -13.832 6.575 -1.291 1.00 0.00 O ATOM 302 CB PHE A 18 -15.349 6.348 1.723 1.00 0.00 C ATOM 303 CG PHE A 18 -16.480 6.764 2.629 1.00 0.00 C ATOM 304 CD1 PHE A 18 -17.800 6.588 2.212 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.208 7.323 3.883 1.00 0.00 C ATOM 306 CE1 PHE A 18 -18.856 6.971 3.047 1.00 0.00 C ATOM 307 CE2 PHE A 18 -17.263 7.707 4.720 1.00 0.00 C ATOM 308 CZ PHE A 18 -18.588 7.531 4.301 1.00 0.00 C ATOM 0 H PHE A 18 -15.958 5.051 -0.629 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.132 7.865 0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.292 5.261 1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.399 6.698 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.007 6.156 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.186 7.458 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.877 6.834 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.055 8.139 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 18 -19.402 7.827 4.946 1.00 0.00 H new ATOM 318 N THR A 19 -13.481 8.127 0.240 1.00 0.00 N ATOM 319 CA THR A 19 -12.138 8.460 -0.305 1.00 0.00 C ATOM 320 C THR A 19 -11.072 8.148 0.747 1.00 0.00 C ATOM 321 O THR A 19 -10.709 8.984 1.550 1.00 0.00 O ATOM 322 CB THR A 19 -12.090 9.944 -0.661 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.395 10.717 0.492 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.113 10.227 -1.756 1.00 0.00 C ATOM 0 H THR A 19 -13.760 8.672 1.056 1.00 0.00 H new ATOM 0 HA THR A 19 -11.947 7.867 -1.200 1.00 0.00 H new ATOM 0 HB THR A 19 -11.094 10.208 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.866 10.395 1.251 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.085 11.285 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.877 9.631 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.110 9.968 -1.399 1.00 0.00 H new ATOM 332 N HIS A 20 -10.575 6.945 0.745 1.00 0.00 N ATOM 333 CA HIS A 20 -9.535 6.555 1.741 1.00 0.00 C ATOM 334 C HIS A 20 -8.175 7.118 1.321 1.00 0.00 C ATOM 335 O HIS A 20 -7.883 7.260 0.150 1.00 0.00 O ATOM 336 CB HIS A 20 -9.440 5.028 1.792 1.00 0.00 C ATOM 337 CG HIS A 20 -9.317 4.558 3.209 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.382 4.586 4.093 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.267 4.006 3.896 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.958 4.057 5.253 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.672 3.690 5.191 1.00 0.00 N ATOM 0 H HIS A 20 -10.845 6.208 0.093 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.808 6.951 2.719 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.324 4.587 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.579 4.692 1.215 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.278 3.841 3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.579 3.942 6.129 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.110 3.270 5.932 1.00 0.00 H new ATOM 349 N ASN A 21 -7.332 7.415 2.268 1.00 0.00 N ATOM 350 CA ASN A 21 -5.980 7.935 1.927 1.00 0.00 C ATOM 351 C ASN A 21 -4.949 7.038 2.607 1.00 0.00 C ATOM 352 O ASN A 21 -4.648 7.184 3.775 1.00 0.00 O ATOM 353 CB ASN A 21 -5.830 9.378 2.410 1.00 0.00 C ATOM 354 CG ASN A 21 -6.501 9.534 3.776 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.803 9.534 3.853 1.00 0.00 O flip ATOM 356 ND2 ASN A 21 -5.832 9.656 4.783 1.00 0.00 N flip ATOM 0 H ASN A 21 -7.521 7.320 3.266 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.833 7.928 0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.775 9.641 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.282 10.062 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.814 9.656 4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.289 9.758 5.689 1.00 0.00 H new ATOM 363 N LEU A 22 -4.437 6.086 1.884 1.00 0.00 N ATOM 364 CA LEU A 22 -3.457 5.132 2.464 1.00 0.00 C ATOM 365 C LEU A 22 -2.059 5.754 2.519 1.00 0.00 C ATOM 366 O LEU A 22 -1.643 6.459 1.620 1.00 0.00 O ATOM 367 CB LEU A 22 -3.443 3.900 1.571 1.00 0.00 C ATOM 368 CG LEU A 22 -2.423 2.885 2.072 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.885 1.495 1.651 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.053 3.170 1.450 1.00 0.00 C ATOM 0 H LEU A 22 -4.659 5.926 0.901 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.741 4.873 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.434 3.448 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.204 4.189 0.548 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.339 2.949 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.168 0.752 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.862 1.289 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.955 1.449 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.330 2.440 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.125 3.101 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.728 4.172 1.729 1.00 0.00 H new ATOM 382 N GLU A 23 -1.327 5.482 3.569 1.00 0.00 N ATOM 383 CA GLU A 23 0.049 6.042 3.692 1.00 0.00 C ATOM 384 C GLU A 23 1.018 4.938 4.133 1.00 0.00 C ATOM 385 O GLU A 23 0.624 3.938 4.699 1.00 0.00 O ATOM 386 CB GLU A 23 0.050 7.166 4.729 1.00 0.00 C ATOM 387 CG GLU A 23 0.146 8.517 4.017 1.00 0.00 C ATOM 388 CD GLU A 23 -0.088 9.644 5.025 1.00 0.00 C ATOM 389 OE1 GLU A 23 -0.501 9.345 6.133 1.00 0.00 O ATOM 390 OE2 GLU A 23 0.148 10.788 4.670 1.00 0.00 O ATOM 0 H GLU A 23 -1.625 4.894 4.348 1.00 0.00 H new ATOM 0 HA GLU A 23 0.367 6.436 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.859 7.123 5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.889 7.043 5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.127 8.627 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.592 8.571 3.217 1.00 0.00 H new ATOM 397 N VAL A 24 2.286 5.119 3.875 1.00 0.00 N ATOM 398 CA VAL A 24 3.299 4.095 4.270 1.00 0.00 C ATOM 399 C VAL A 24 4.679 4.758 4.299 1.00 0.00 C ATOM 400 O VAL A 24 4.928 5.710 3.588 1.00 0.00 O ATOM 401 CB VAL A 24 3.295 2.950 3.249 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.576 2.122 3.385 1.00 0.00 C ATOM 403 CG2 VAL A 24 2.086 2.050 3.503 1.00 0.00 C ATOM 0 H VAL A 24 2.667 5.939 3.404 1.00 0.00 H new ATOM 0 HA VAL A 24 3.061 3.693 5.255 1.00 0.00 H new ATOM 0 HB VAL A 24 3.242 3.368 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.564 1.311 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.442 2.759 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.635 1.705 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.080 1.235 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.144 1.639 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.171 2.633 3.400 1.00 0.00 H new ATOM 413 N ASP A 25 5.578 4.276 5.116 1.00 0.00 N ATOM 414 CA ASP A 25 6.927 4.907 5.172 1.00 0.00 C ATOM 415 C ASP A 25 8.020 3.841 5.216 1.00 0.00 C ATOM 416 O ASP A 25 7.916 2.861 5.926 1.00 0.00 O ATOM 417 CB ASP A 25 7.025 5.787 6.420 1.00 0.00 C ATOM 418 CG ASP A 25 7.802 7.062 6.088 1.00 0.00 C ATOM 419 OD1 ASP A 25 9.019 6.998 6.051 1.00 0.00 O ATOM 420 OD2 ASP A 25 7.165 8.081 5.875 1.00 0.00 O ATOM 0 H ASP A 25 5.438 3.481 5.740 1.00 0.00 H new ATOM 0 HA ASP A 25 7.066 5.513 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.027 6.040 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.524 5.244 7.223 1.00 0.00 H new ATOM 425 N PHE A 26 9.081 4.033 4.472 1.00 0.00 N ATOM 426 CA PHE A 26 10.184 3.033 4.495 1.00 0.00 C ATOM 427 C PHE A 26 11.476 3.664 3.981 1.00 0.00 C ATOM 428 O PHE A 26 11.543 4.169 2.879 1.00 0.00 O ATOM 429 CB PHE A 26 9.810 1.808 3.654 1.00 0.00 C ATOM 430 CG PHE A 26 9.757 2.164 2.189 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.914 2.082 1.406 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.544 2.560 1.610 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.860 2.397 0.044 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.491 2.876 0.248 1.00 0.00 C ATOM 435 CZ PHE A 26 9.648 2.794 -0.535 1.00 0.00 C ATOM 0 H PHE A 26 9.228 4.833 3.856 1.00 0.00 H new ATOM 0 HA PHE A 26 10.342 2.707 5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.539 1.014 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.843 1.422 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.848 1.776 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.651 2.621 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.753 2.334 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.557 3.183 -0.199 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.606 3.037 -1.586 1.00 0.00 H new ATOM 445 N ILE A 27 12.503 3.649 4.790 1.00 0.00 N ATOM 446 CA ILE A 27 13.799 4.265 4.373 1.00 0.00 C ATOM 447 C ILE A 27 14.603 3.284 3.518 1.00 0.00 C ATOM 448 O ILE A 27 15.458 2.574 4.007 1.00 0.00 O ATOM 449 CB ILE A 27 14.603 4.637 5.621 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.004 5.897 6.238 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.062 4.905 5.243 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.517 5.675 6.520 1.00 0.00 C ATOM 0 H ILE A 27 12.501 3.236 5.723 1.00 0.00 H new ATOM 0 HA ILE A 27 13.597 5.159 3.783 1.00 0.00 H new ATOM 0 HB ILE A 27 14.565 3.814 6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.526 6.145 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.134 6.742 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.627 5.169 6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.492 4.010 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.108 5.727 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.092 6.577 6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.000 5.448 5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.398 4.842 7.213 1.00 0.00 H new ATOM 464 N GLY A 28 14.345 3.252 2.242 1.00 0.00 N ATOM 465 CA GLY A 28 15.100 2.321 1.354 1.00 0.00 C ATOM 466 C GLY A 28 15.936 3.118 0.353 1.00 0.00 C ATOM 467 O GLY A 28 15.668 4.272 0.083 1.00 0.00 O ATOM 0 H GLY A 28 13.646 3.828 1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.747 1.679 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.407 1.668 0.823 1.00 0.00 H new ATOM 471 N ALA A 29 16.950 2.510 -0.200 1.00 0.00 N ATOM 472 CA ALA A 29 17.802 3.230 -1.188 1.00 0.00 C ATOM 473 C ALA A 29 19.065 2.406 -1.470 1.00 0.00 C ATOM 474 O ALA A 29 19.324 1.426 -0.802 1.00 0.00 O ATOM 475 CB ALA A 29 18.185 4.598 -0.623 1.00 0.00 C ATOM 0 H ALA A 29 17.225 1.546 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 29 17.252 3.368 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.808 5.128 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.282 5.177 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.738 4.466 0.307 1.00 0.00 H new ATOM 481 N PRO A 30 19.807 2.822 -2.467 1.00 0.00 N ATOM 482 CA PRO A 30 19.484 4.014 -3.272 1.00 0.00 C ATOM 483 C PRO A 30 18.326 3.724 -4.224 1.00 0.00 C ATOM 484 O PRO A 30 18.171 2.626 -4.721 1.00 0.00 O ATOM 485 CB PRO A 30 20.771 4.290 -4.049 1.00 0.00 C ATOM 486 CG PRO A 30 21.540 2.955 -4.087 1.00 0.00 C ATOM 487 CD PRO A 30 21.035 2.124 -2.893 1.00 0.00 C ATOM 0 HA PRO A 30 19.170 4.863 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.550 4.642 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.361 5.066 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.362 2.432 -5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.614 3.124 -4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.829 1.094 -3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.772 2.088 -2.091 1.00 0.00 H new ATOM 495 N ASP A 31 17.524 4.717 -4.475 1.00 0.00 N ATOM 496 CA ASP A 31 16.357 4.558 -5.393 1.00 0.00 C ATOM 497 C ASP A 31 15.760 3.151 -5.269 1.00 0.00 C ATOM 498 O ASP A 31 16.012 2.299 -6.098 1.00 0.00 O ATOM 499 CB ASP A 31 16.809 4.793 -6.835 1.00 0.00 C ATOM 500 CG ASP A 31 17.990 3.876 -7.156 1.00 0.00 C ATOM 501 OD1 ASP A 31 19.105 4.236 -6.814 1.00 0.00 O ATOM 502 OD2 ASP A 31 17.761 2.828 -7.738 1.00 0.00 O ATOM 0 H ASP A 31 17.627 5.651 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 31 15.594 5.287 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.986 4.597 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.097 5.835 -6.972 1.00 0.00 H new ATOM 507 N PRO A 32 14.979 2.953 -4.238 1.00 0.00 N ATOM 508 CA PRO A 32 14.319 1.662 -3.977 1.00 0.00 C ATOM 509 C PRO A 32 13.081 1.519 -4.865 1.00 0.00 C ATOM 510 O PRO A 32 12.850 2.314 -5.754 1.00 0.00 O ATOM 511 CB PRO A 32 13.910 1.760 -2.506 1.00 0.00 C ATOM 512 CG PRO A 32 13.829 3.270 -2.180 1.00 0.00 C ATOM 513 CD PRO A 32 14.685 3.996 -3.236 1.00 0.00 C ATOM 0 HA PRO A 32 14.957 0.803 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.950 1.273 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.638 1.262 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.797 3.618 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.202 3.470 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.146 4.834 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.599 4.399 -2.800 1.00 0.00 H new ATOM 521 N THR A 33 12.278 0.520 -4.628 1.00 0.00 N ATOM 522 CA THR A 33 11.053 0.344 -5.458 1.00 0.00 C ATOM 523 C THR A 33 9.938 -0.266 -4.607 1.00 0.00 C ATOM 524 O THR A 33 10.014 -1.403 -4.188 1.00 0.00 O ATOM 525 CB THR A 33 11.355 -0.582 -6.637 1.00 0.00 C ATOM 526 OG1 THR A 33 12.239 0.070 -7.537 1.00 0.00 O ATOM 527 CG2 THR A 33 10.049 -0.923 -7.355 1.00 0.00 C ATOM 0 H THR A 33 12.415 -0.180 -3.899 1.00 0.00 H new ATOM 0 HA THR A 33 10.734 1.316 -5.834 1.00 0.00 H new ATOM 0 HB THR A 33 11.822 -1.498 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.434 -0.524 -8.292 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.258 -1.583 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.372 -1.422 -6.662 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.584 -0.007 -7.719 1.00 0.00 H new ATOM 535 N ALA A 34 8.898 0.479 -4.354 1.00 0.00 N ATOM 536 CA ALA A 34 7.776 -0.061 -3.537 1.00 0.00 C ATOM 537 C ALA A 34 6.635 -0.475 -4.465 1.00 0.00 C ATOM 538 O ALA A 34 6.267 0.246 -5.371 1.00 0.00 O ATOM 539 CB ALA A 34 7.290 1.007 -2.556 1.00 0.00 C ATOM 0 H ALA A 34 8.777 1.439 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 34 8.118 -0.928 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.469 0.607 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.109 1.296 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.945 1.880 -3.110 1.00 0.00 H new ATOM 545 N THR A 35 6.081 -1.639 -4.259 1.00 0.00 N ATOM 546 CA THR A 35 4.976 -2.100 -5.145 1.00 0.00 C ATOM 547 C THR A 35 3.656 -2.130 -4.371 1.00 0.00 C ATOM 548 O THR A 35 3.556 -2.714 -3.309 1.00 0.00 O ATOM 549 CB THR A 35 5.293 -3.506 -5.661 1.00 0.00 C ATOM 550 OG1 THR A 35 6.541 -3.488 -6.339 1.00 0.00 O ATOM 551 CG2 THR A 35 4.194 -3.958 -6.624 1.00 0.00 C ATOM 0 H THR A 35 6.345 -2.288 -3.518 1.00 0.00 H new ATOM 0 HA THR A 35 4.881 -1.410 -5.983 1.00 0.00 H new ATOM 0 HB THR A 35 5.344 -4.199 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.747 -4.388 -6.669 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.421 -4.959 -6.991 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.236 -3.971 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.141 -3.267 -7.465 1.00 0.00 H new ATOM 559 N TRP A 36 2.641 -1.511 -4.913 1.00 0.00 N ATOM 560 CA TRP A 36 1.310 -1.498 -4.242 1.00 0.00 C ATOM 561 C TRP A 36 0.396 -2.509 -4.945 1.00 0.00 C ATOM 562 O TRP A 36 -0.172 -2.226 -5.984 1.00 0.00 O ATOM 563 CB TRP A 36 0.701 -0.100 -4.359 1.00 0.00 C ATOM 564 CG TRP A 36 1.141 0.756 -3.212 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.928 1.852 -3.318 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.829 0.619 -1.793 1.00 0.00 C ATOM 567 NE1 TRP A 36 2.108 2.398 -2.062 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.453 1.676 -1.091 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.074 -0.306 -1.056 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.330 1.812 0.291 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.051 -0.172 0.336 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.574 0.885 1.008 1.00 0.00 C ATOM 0 H TRP A 36 2.679 -1.009 -5.800 1.00 0.00 H new ATOM 0 HA TRP A 36 1.418 -1.761 -3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.003 0.358 -5.301 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.387 -0.170 -4.373 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.347 2.237 -4.236 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.660 3.235 -1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.414 -1.126 -1.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.817 2.629 0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.634 -0.890 0.893 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.471 0.982 2.079 1.00 0.00 H new ATOM 583 N THR A 37 0.254 -3.687 -4.403 1.00 0.00 N ATOM 584 CA THR A 37 -0.619 -4.702 -5.063 1.00 0.00 C ATOM 585 C THR A 37 -1.860 -4.953 -4.212 1.00 0.00 C ATOM 586 O THR A 37 -1.903 -4.628 -3.041 1.00 0.00 O ATOM 587 CB THR A 37 0.155 -6.012 -5.238 1.00 0.00 C ATOM 588 OG1 THR A 37 1.272 -6.020 -4.360 1.00 0.00 O ATOM 589 CG2 THR A 37 0.641 -6.138 -6.683 1.00 0.00 C ATOM 0 H THR A 37 0.701 -3.991 -3.538 1.00 0.00 H new ATOM 0 HA THR A 37 -0.924 -4.327 -6.040 1.00 0.00 H new ATOM 0 HB THR A 37 -0.500 -6.852 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.964 -5.894 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.191 -7.072 -6.802 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.216 -6.133 -7.357 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.295 -5.299 -6.921 1.00 0.00 H new ATOM 597 N VAL A 38 -2.879 -5.520 -4.797 1.00 0.00 N ATOM 598 CA VAL A 38 -4.126 -5.777 -4.027 1.00 0.00 C ATOM 599 C VAL A 38 -4.292 -7.279 -3.785 1.00 0.00 C ATOM 600 O VAL A 38 -5.351 -7.839 -3.985 1.00 0.00 O ATOM 601 CB VAL A 38 -5.322 -5.241 -4.812 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.519 -6.078 -6.068 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.581 -5.324 -3.954 1.00 0.00 C ATOM 0 H VAL A 38 -2.901 -5.816 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.067 -5.272 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.135 -4.202 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.372 -5.697 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.623 -6.022 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.703 -7.115 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.431 -4.941 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.766 -6.362 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.446 -4.728 -3.051 1.00 0.00 H new ATOM 613 N GLY A 39 -3.256 -7.928 -3.335 1.00 0.00 N ATOM 614 CA GLY A 39 -3.351 -9.389 -3.055 1.00 0.00 C ATOM 615 C GLY A 39 -3.647 -10.156 -4.344 1.00 0.00 C ATOM 616 O GLY A 39 -3.160 -9.821 -5.406 1.00 0.00 O ATOM 0 H GLY A 39 -2.345 -7.510 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.418 -9.744 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.137 -9.576 -2.323 1.00 0.00 H new ATOM 620 N ASP A 40 -4.437 -11.193 -4.253 1.00 0.00 N ATOM 621 CA ASP A 40 -4.765 -11.998 -5.462 1.00 0.00 C ATOM 622 C ASP A 40 -3.509 -12.720 -5.959 1.00 0.00 C ATOM 623 O ASP A 40 -3.518 -13.367 -6.987 1.00 0.00 O ATOM 624 CB ASP A 40 -5.293 -11.074 -6.553 1.00 0.00 C ATOM 625 CG ASP A 40 -6.398 -11.785 -7.336 1.00 0.00 C ATOM 626 OD1 ASP A 40 -6.083 -12.722 -8.050 1.00 0.00 O ATOM 627 OD2 ASP A 40 -7.542 -11.380 -7.207 1.00 0.00 O ATOM 0 H ASP A 40 -4.870 -11.517 -3.388 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.525 -12.738 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.680 -10.156 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.484 -10.788 -7.225 1.00 0.00 H new ATOM 632 N SER A 41 -2.429 -12.619 -5.233 1.00 0.00 N ATOM 633 CA SER A 41 -1.176 -13.301 -5.654 1.00 0.00 C ATOM 634 C SER A 41 -0.672 -12.695 -6.964 1.00 0.00 C ATOM 635 O SER A 41 -0.155 -13.386 -7.819 1.00 0.00 O ATOM 636 CB SER A 41 -1.455 -14.789 -5.851 1.00 0.00 C ATOM 637 OG SER A 41 -0.294 -15.535 -5.511 1.00 0.00 O ATOM 0 H SER A 41 -2.362 -12.091 -4.363 1.00 0.00 H new ATOM 0 HA SER A 41 -0.415 -13.170 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.295 -15.098 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.736 -14.984 -6.886 1.00 0.00 H new ATOM 0 HG SER A 41 -0.471 -16.491 -5.635 1.00 0.00 H new ATOM 643 N GLY A 42 -0.813 -11.409 -7.129 1.00 0.00 N ATOM 644 CA GLY A 42 -0.335 -10.767 -8.385 1.00 0.00 C ATOM 645 C GLY A 42 -1.218 -9.566 -8.724 1.00 0.00 C ATOM 646 O GLY A 42 -0.823 -8.687 -9.464 1.00 0.00 O ATOM 0 H GLY A 42 -1.237 -10.777 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.700 -10.447 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.356 -11.487 -9.203 1.00 0.00 H new ATOM 650 N ALA A 43 -2.412 -9.518 -8.199 1.00 0.00 N ATOM 651 CA ALA A 43 -3.305 -8.371 -8.508 1.00 0.00 C ATOM 652 C ALA A 43 -2.578 -7.064 -8.200 1.00 0.00 C ATOM 653 O ALA A 43 -1.834 -6.962 -7.243 1.00 0.00 O ATOM 654 CB ALA A 43 -4.579 -8.454 -7.675 1.00 0.00 C ATOM 0 H ALA A 43 -2.804 -10.221 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.572 -8.404 -9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.224 -7.608 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.102 -9.383 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.323 -8.431 -6.616 1.00 0.00 H new ATOM 660 N ALA A 44 -2.784 -6.066 -9.008 1.00 0.00 N ATOM 661 CA ALA A 44 -2.093 -4.768 -8.772 1.00 0.00 C ATOM 662 C ALA A 44 -3.104 -3.683 -8.407 1.00 0.00 C ATOM 663 O ALA A 44 -4.238 -3.696 -8.843 1.00 0.00 O ATOM 664 CB ALA A 44 -1.345 -4.354 -10.040 1.00 0.00 C ATOM 0 H ALA A 44 -3.400 -6.091 -9.821 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.391 -4.889 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.838 -3.404 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.609 -5.117 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.053 -4.245 -10.861 1.00 0.00 H new ATOM 670 N LEU A 45 -2.690 -2.740 -7.609 1.00 0.00 N ATOM 671 CA LEU A 45 -3.604 -1.638 -7.202 1.00 0.00 C ATOM 672 C LEU A 45 -3.708 -0.611 -8.329 1.00 0.00 C ATOM 673 O LEU A 45 -2.733 -0.311 -8.988 1.00 0.00 O ATOM 674 CB LEU A 45 -3.028 -0.946 -5.974 1.00 0.00 C ATOM 675 CG LEU A 45 -3.867 -1.298 -4.757 1.00 0.00 C ATOM 676 CD1 LEU A 45 -3.528 -2.710 -4.301 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.560 -0.306 -3.641 1.00 0.00 C ATOM 0 H LEU A 45 -1.749 -2.685 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.589 -2.050 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.995 -1.256 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.018 0.134 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.927 -1.249 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.129 -2.964 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.741 -3.413 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.471 -2.765 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.157 -0.550 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.502 -0.361 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.801 0.703 -3.975 1.00 0.00 H new ATOM 689 N ALA A 46 -4.875 -0.051 -8.532 1.00 0.00 N ATOM 690 CA ALA A 46 -5.034 0.985 -9.605 1.00 0.00 C ATOM 691 C ALA A 46 -6.497 1.096 -10.057 1.00 0.00 C ATOM 692 O ALA A 46 -7.094 2.152 -9.956 1.00 0.00 O ATOM 693 CB ALA A 46 -4.172 0.622 -10.816 1.00 0.00 C ATOM 0 H ALA A 46 -5.722 -0.264 -8.005 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.717 1.942 -9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.294 1.380 -11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.125 0.575 -10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.482 -0.348 -11.206 1.00 0.00 H new ATOM 699 N PRO A 47 -7.027 0.008 -10.562 1.00 0.00 N ATOM 700 CA PRO A 47 -8.412 -0.034 -11.077 1.00 0.00 C ATOM 701 C PRO A 47 -9.436 0.084 -9.948 1.00 0.00 C ATOM 702 O PRO A 47 -10.629 0.068 -10.178 1.00 0.00 O ATOM 703 CB PRO A 47 -8.496 -1.393 -11.779 1.00 0.00 C ATOM 704 CG PRO A 47 -7.373 -2.264 -11.174 1.00 0.00 C ATOM 705 CD PRO A 47 -6.313 -1.284 -10.637 1.00 0.00 C ATOM 0 HA PRO A 47 -8.638 0.797 -11.745 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.472 -1.852 -11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.366 -1.283 -12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.759 -2.897 -10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.945 -2.926 -11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.943 -1.593 -9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.450 -1.226 -11.301 1.00 0.00 H new ATOM 713 N GLU A 48 -8.987 0.221 -8.736 1.00 0.00 N ATOM 714 CA GLU A 48 -9.942 0.359 -7.609 1.00 0.00 C ATOM 715 C GLU A 48 -9.586 1.610 -6.807 1.00 0.00 C ATOM 716 O GLU A 48 -10.109 1.832 -5.735 1.00 0.00 O ATOM 717 CB GLU A 48 -9.850 -0.871 -6.705 1.00 0.00 C ATOM 718 CG GLU A 48 -11.248 -1.248 -6.210 1.00 0.00 C ATOM 719 CD GLU A 48 -12.041 -1.884 -7.354 1.00 0.00 C ATOM 720 OE1 GLU A 48 -12.096 -1.284 -8.415 1.00 0.00 O ATOM 721 OE2 GLU A 48 -12.578 -2.960 -7.150 1.00 0.00 O ATOM 0 H GLU A 48 -8.001 0.243 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.958 0.444 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.409 -1.705 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.196 -0.664 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.174 -1.944 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.766 -0.362 -5.843 1.00 0.00 H new ATOM 728 N LEU A 49 -8.694 2.428 -7.315 1.00 0.00 N ATOM 729 CA LEU A 49 -8.300 3.657 -6.569 1.00 0.00 C ATOM 730 C LEU A 49 -7.039 4.258 -7.198 1.00 0.00 C ATOM 731 O LEU A 49 -6.688 3.947 -8.319 1.00 0.00 O ATOM 732 CB LEU A 49 -8.022 3.285 -5.116 1.00 0.00 C ATOM 733 CG LEU A 49 -7.122 2.054 -5.073 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.744 2.443 -4.535 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.749 1.010 -4.155 1.00 0.00 C ATOM 0 H LEU A 49 -8.225 2.295 -8.211 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.105 4.391 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.543 4.118 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.958 3.084 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.013 1.645 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.103 1.562 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.298 3.194 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.848 2.850 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.111 0.127 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.853 1.423 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.731 0.733 -4.537 1.00 0.00 H new ATOM 747 N LEU A 50 -6.351 5.116 -6.489 1.00 0.00 N ATOM 748 CA LEU A 50 -5.110 5.726 -7.066 1.00 0.00 C ATOM 749 C LEU A 50 -3.909 5.332 -6.207 1.00 0.00 C ATOM 750 O LEU A 50 -4.061 4.816 -5.117 1.00 0.00 O ATOM 751 CB LEU A 50 -5.220 7.258 -7.110 1.00 0.00 C ATOM 752 CG LEU A 50 -6.627 7.707 -6.713 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.685 9.235 -6.695 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.640 7.171 -7.727 1.00 0.00 C ATOM 0 H LEU A 50 -6.590 5.420 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.984 5.358 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.487 7.700 -6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.987 7.616 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.866 7.320 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.687 9.558 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.963 9.618 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.446 9.620 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.643 7.491 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.402 7.557 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.598 6.082 -7.743 1.00 0.00 H new ATOM 766 N VAL A 51 -2.711 5.554 -6.683 1.00 0.00 N ATOM 767 CA VAL A 51 -1.529 5.160 -5.869 1.00 0.00 C ATOM 768 C VAL A 51 -0.342 6.097 -6.113 1.00 0.00 C ATOM 769 O VAL A 51 -0.092 6.542 -7.215 1.00 0.00 O ATOM 770 CB VAL A 51 -1.128 3.730 -6.234 1.00 0.00 C ATOM 771 CG1 VAL A 51 0.084 3.306 -5.405 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.298 2.788 -5.942 1.00 0.00 C ATOM 0 H VAL A 51 -2.504 5.984 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.800 5.225 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.873 3.684 -7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.366 2.287 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.918 3.978 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.166 3.351 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.017 1.767 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.549 2.838 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.163 3.087 -6.534 1.00 0.00 H new ATOM 782 N ASP A 52 0.401 6.369 -5.073 1.00 0.00 N ATOM 783 CA ASP A 52 1.601 7.246 -5.188 1.00 0.00 C ATOM 784 C ASP A 52 2.711 6.630 -4.333 1.00 0.00 C ATOM 785 O ASP A 52 2.445 5.884 -3.411 1.00 0.00 O ATOM 786 CB ASP A 52 1.267 8.648 -4.674 1.00 0.00 C ATOM 787 CG ASP A 52 0.688 9.487 -5.815 1.00 0.00 C ATOM 788 OD1 ASP A 52 -0.485 9.325 -6.106 1.00 0.00 O ATOM 789 OD2 ASP A 52 1.428 10.277 -6.378 1.00 0.00 O ATOM 0 H ASP A 52 0.223 6.014 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 52 1.920 7.326 -6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.550 8.585 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.164 9.124 -4.277 1.00 0.00 H new ATOM 794 N ALA A 53 3.952 6.903 -4.619 1.00 0.00 N ATOM 795 CA ALA A 53 5.020 6.279 -3.792 1.00 0.00 C ATOM 796 C ALA A 53 6.327 7.075 -3.884 1.00 0.00 C ATOM 797 O ALA A 53 6.638 7.676 -4.893 1.00 0.00 O ATOM 798 CB ALA A 53 5.237 4.846 -4.279 1.00 0.00 C ATOM 0 H ALA A 53 4.269 7.516 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 53 4.711 6.277 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.018 4.373 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.310 4.282 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.538 4.859 -5.326 1.00 0.00 H new ATOM 804 N LYS A 54 7.090 7.079 -2.819 1.00 0.00 N ATOM 805 CA LYS A 54 8.381 7.830 -2.808 1.00 0.00 C ATOM 806 C LYS A 54 9.537 6.889 -2.428 1.00 0.00 C ATOM 807 O LYS A 54 9.346 5.847 -1.836 1.00 0.00 O ATOM 808 CB LYS A 54 8.298 8.967 -1.789 1.00 0.00 C ATOM 809 CG LYS A 54 7.286 10.010 -2.267 1.00 0.00 C ATOM 810 CD LYS A 54 6.788 10.822 -1.070 1.00 0.00 C ATOM 811 CE LYS A 54 5.647 11.739 -1.513 1.00 0.00 C ATOM 812 NZ LYS A 54 4.442 11.471 -0.680 1.00 0.00 N ATOM 0 H LYS A 54 6.871 6.590 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 54 8.564 8.237 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.001 8.576 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.278 9.427 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.747 10.670 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.448 9.519 -2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.445 10.153 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.603 11.414 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.946 12.783 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.419 11.571 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.666 12.095 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.154 10.479 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.664 11.652 0.320 1.00 0.00 H new ATOM 826 N SER A 55 10.737 7.253 -2.780 1.00 0.00 N ATOM 827 CA SER A 55 11.917 6.390 -2.472 1.00 0.00 C ATOM 828 C SER A 55 11.941 5.954 -0.997 1.00 0.00 C ATOM 829 O SER A 55 12.041 4.781 -0.697 1.00 0.00 O ATOM 830 CB SER A 55 13.196 7.166 -2.783 1.00 0.00 C ATOM 831 OG SER A 55 13.040 7.854 -4.017 1.00 0.00 O ATOM 0 H SER A 55 10.956 8.119 -3.273 1.00 0.00 H new ATOM 0 HA SER A 55 11.847 5.492 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.409 7.875 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.044 6.484 -2.838 1.00 0.00 H new ATOM 0 HG SER A 55 13.858 8.354 -4.218 1.00 0.00 H new ATOM 837 N SER A 56 11.891 6.876 -0.074 1.00 0.00 N ATOM 838 CA SER A 56 11.960 6.482 1.368 1.00 0.00 C ATOM 839 C SER A 56 10.561 6.354 1.977 1.00 0.00 C ATOM 840 O SER A 56 10.399 6.360 3.183 1.00 0.00 O ATOM 841 CB SER A 56 12.748 7.539 2.140 1.00 0.00 C ATOM 842 OG SER A 56 14.137 7.249 2.049 1.00 0.00 O ATOM 0 H SER A 56 11.806 7.877 -0.251 1.00 0.00 H new ATOM 0 HA SER A 56 12.454 5.513 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.544 8.530 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.435 7.552 3.184 1.00 0.00 H new ATOM 0 HG SER A 56 14.646 7.926 2.542 1.00 0.00 H new ATOM 848 N THR A 57 9.547 6.233 1.174 1.00 0.00 N ATOM 849 CA THR A 57 8.178 6.108 1.751 1.00 0.00 C ATOM 850 C THR A 57 7.190 5.864 0.621 1.00 0.00 C ATOM 851 O THR A 57 7.573 5.518 -0.471 1.00 0.00 O ATOM 852 CB THR A 57 7.824 7.411 2.479 1.00 0.00 C ATOM 853 OG1 THR A 57 6.671 7.224 3.285 1.00 0.00 O ATOM 854 CG2 THR A 57 7.549 8.506 1.452 1.00 0.00 C ATOM 0 H THR A 57 9.600 6.215 0.156 1.00 0.00 H new ATOM 0 HA THR A 57 8.137 5.277 2.456 1.00 0.00 H new ATOM 0 HB THR A 57 8.660 7.701 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.325 6.316 3.155 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.297 9.433 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.437 8.661 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.716 8.207 0.815 1.00 0.00 H new ATOM 862 N THR A 58 5.927 6.052 0.864 1.00 0.00 N ATOM 863 CA THR A 58 4.938 5.845 -0.218 1.00 0.00 C ATOM 864 C THR A 58 3.528 6.035 0.332 1.00 0.00 C ATOM 865 O THR A 58 3.277 5.848 1.502 1.00 0.00 O ATOM 866 CB THR A 58 5.069 4.429 -0.786 1.00 0.00 C ATOM 867 OG1 THR A 58 4.320 4.337 -1.984 1.00 0.00 O ATOM 868 CG2 THR A 58 4.535 3.419 0.227 1.00 0.00 C ATOM 0 H THR A 58 5.540 6.339 1.763 1.00 0.00 H new ATOM 0 HA THR A 58 5.126 6.570 -1.010 1.00 0.00 H new ATOM 0 HB THR A 58 6.118 4.213 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.490 3.471 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.629 2.412 -0.179 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.108 3.493 1.151 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.486 3.630 0.433 1.00 0.00 H new ATOM 876 N SER A 59 2.603 6.391 -0.511 1.00 0.00 N ATOM 877 CA SER A 59 1.202 6.578 -0.048 1.00 0.00 C ATOM 878 C SER A 59 0.285 6.399 -1.241 1.00 0.00 C ATOM 879 O SER A 59 0.615 6.764 -2.350 1.00 0.00 O ATOM 880 CB SER A 59 1.026 7.974 0.549 1.00 0.00 C ATOM 881 OG SER A 59 1.518 8.943 -0.368 1.00 0.00 O ATOM 0 H SER A 59 2.757 6.561 -1.505 1.00 0.00 H new ATOM 0 HA SER A 59 0.960 5.848 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.026 8.160 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.562 8.047 1.496 1.00 0.00 H new ATOM 0 HG SER A 59 1.405 9.839 0.011 1.00 0.00 H new ATOM 887 N ILE A 60 -0.852 5.812 -1.043 1.00 0.00 N ATOM 888 CA ILE A 60 -1.740 5.586 -2.201 1.00 0.00 C ATOM 889 C ILE A 60 -3.153 6.088 -1.894 1.00 0.00 C ATOM 890 O ILE A 60 -3.540 6.256 -0.751 1.00 0.00 O ATOM 891 CB ILE A 60 -1.673 4.096 -2.558 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.520 3.262 -1.603 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.214 3.639 -2.425 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.446 1.792 -2.020 1.00 0.00 C ATOM 0 H ILE A 60 -1.201 5.483 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.417 6.155 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.050 3.960 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.161 3.381 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.554 3.606 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.140 2.580 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.412 4.217 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.124 3.795 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.050 1.190 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.825 1.683 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.410 1.454 -1.981 1.00 0.00 H new ATOM 906 N PHE A 61 -3.884 6.423 -2.922 1.00 0.00 N ATOM 907 CA PHE A 61 -5.232 7.030 -2.733 1.00 0.00 C ATOM 908 C PHE A 61 -6.383 6.042 -2.897 1.00 0.00 C ATOM 909 O PHE A 61 -6.249 5.002 -3.503 1.00 0.00 O ATOM 910 CB PHE A 61 -5.375 8.125 -3.778 1.00 0.00 C ATOM 911 CG PHE A 61 -5.015 9.432 -3.149 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.718 9.631 -2.682 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.972 10.437 -3.028 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.368 10.841 -2.091 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.632 11.653 -2.438 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.325 11.860 -1.966 1.00 0.00 C ATOM 0 H PHE A 61 -3.602 6.301 -3.894 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.294 7.401 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.725 7.923 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.397 8.156 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.983 8.845 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.976 10.274 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.362 10.996 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.372 12.434 -2.344 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.057 12.801 -1.508 1.00 0.00 H new ATOM 926 N PHE A 62 -7.529 6.413 -2.363 1.00 0.00 N ATOM 927 CA PHE A 62 -8.762 5.571 -2.458 1.00 0.00 C ATOM 928 C PHE A 62 -10.002 6.478 -2.587 1.00 0.00 C ATOM 929 O PHE A 62 -11.004 6.208 -1.958 1.00 0.00 O ATOM 930 CB PHE A 62 -8.961 4.799 -1.157 1.00 0.00 C ATOM 931 CG PHE A 62 -7.956 3.689 -0.981 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.613 3.985 -0.728 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.384 2.357 -1.025 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.697 2.946 -0.523 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.468 1.320 -0.826 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.124 1.614 -0.574 1.00 0.00 C ATOM 0 H PHE A 62 -7.659 7.287 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.648 4.907 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.887 5.488 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.967 4.380 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.283 5.013 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.423 2.130 -1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.660 3.173 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.798 0.292 -0.867 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.416 0.813 -0.419 1.00 0.00 H new ATOM 946 N PRO A 63 -9.918 7.524 -3.369 1.00 0.00 N ATOM 947 CA PRO A 63 -11.045 8.464 -3.542 1.00 0.00 C ATOM 948 C PRO A 63 -12.230 7.760 -4.189 1.00 0.00 C ATOM 949 O PRO A 63 -13.338 8.258 -4.203 1.00 0.00 O ATOM 950 CB PRO A 63 -10.465 9.570 -4.427 1.00 0.00 C ATOM 951 CG PRO A 63 -9.248 8.941 -5.130 1.00 0.00 C ATOM 952 CD PRO A 63 -8.735 7.855 -4.173 1.00 0.00 C ATOM 0 HA PRO A 63 -11.430 8.862 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.200 9.918 -5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.171 10.434 -3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.529 8.514 -6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.478 9.688 -5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.361 6.986 -4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.917 8.220 -3.552 1.00 0.00 H new ATOM 960 N SER A 64 -12.003 6.592 -4.700 1.00 0.00 N ATOM 961 CA SER A 64 -13.111 5.824 -5.326 1.00 0.00 C ATOM 962 C SER A 64 -13.226 4.462 -4.634 1.00 0.00 C ATOM 963 O SER A 64 -13.279 3.435 -5.282 1.00 0.00 O ATOM 964 CB SER A 64 -12.817 5.620 -6.812 1.00 0.00 C ATOM 965 OG SER A 64 -13.985 5.913 -7.567 1.00 0.00 O ATOM 0 H SER A 64 -11.094 6.130 -4.713 1.00 0.00 H new ATOM 0 HA SER A 64 -14.047 6.373 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.997 6.266 -7.124 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.501 4.593 -6.994 1.00 0.00 H new ATOM 0 HG SER A 64 -13.799 5.785 -8.521 1.00 0.00 H new ATOM 971 N ALA A 65 -13.259 4.435 -3.323 1.00 0.00 N ATOM 972 CA ALA A 65 -13.363 3.124 -2.623 1.00 0.00 C ATOM 973 C ALA A 65 -14.830 2.739 -2.453 1.00 0.00 C ATOM 974 O ALA A 65 -15.675 3.567 -2.159 1.00 0.00 O ATOM 975 CB ALA A 65 -12.706 3.204 -1.249 1.00 0.00 C ATOM 0 H ALA A 65 -13.219 5.255 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.853 2.371 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.790 2.239 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.654 3.463 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.205 3.967 -0.651 1.00 0.00 H new ATOM 981 N LYS A 66 -15.121 1.479 -2.630 1.00 0.00 N ATOM 982 CA LYS A 66 -16.523 0.988 -2.489 1.00 0.00 C ATOM 983 C LYS A 66 -16.503 -0.445 -1.953 1.00 0.00 C ATOM 984 O LYS A 66 -15.461 -0.986 -1.653 1.00 0.00 O ATOM 985 CB LYS A 66 -17.210 1.009 -3.857 1.00 0.00 C ATOM 986 CG LYS A 66 -18.568 1.705 -3.744 1.00 0.00 C ATOM 987 CD LYS A 66 -18.621 2.882 -4.721 1.00 0.00 C ATOM 988 CE LYS A 66 -19.997 2.929 -5.388 1.00 0.00 C ATOM 989 NZ LYS A 66 -21.054 2.951 -4.339 1.00 0.00 N ATOM 0 H LYS A 66 -14.439 0.760 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.069 1.631 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.583 1.530 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.342 -0.009 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.369 1.000 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.724 2.057 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.429 3.816 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.842 2.777 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.077 3.814 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.129 2.062 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.896 3.440 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.305 1.976 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.700 3.453 -3.500 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.643 -1.065 -1.830 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.675 -2.463 -1.311 1.00 0.00 C ATOM 1005 C ARG A 67 -16.605 -3.301 -2.017 1.00 0.00 C ATOM 1006 O ARG A 67 -15.893 -4.066 -1.398 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.054 -3.074 -1.572 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.375 -4.094 -0.478 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.865 -4.438 -0.520 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.353 -4.701 0.863 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.528 -5.928 1.272 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.274 -6.746 0.581 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -20.958 -6.337 2.372 1.00 0.00 N ATOM 0 H ARG A 67 -18.552 -0.667 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.477 -2.453 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.813 -2.292 -1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.071 -3.556 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.779 -4.995 -0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.112 -3.689 0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.426 -3.617 -0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.029 -5.314 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.550 -3.922 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -22.720 -6.426 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.411 -7.705 0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.375 -5.698 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.095 -7.296 2.691 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.494 -3.170 -3.311 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.484 -3.962 -4.064 1.00 0.00 C ATOM 1029 C ALA A 68 -14.081 -3.706 -3.503 1.00 0.00 C ATOM 1030 O ALA A 68 -13.274 -4.608 -3.395 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.519 -3.557 -5.538 1.00 0.00 C ATOM 0 H ALA A 68 -17.064 -2.544 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.719 -5.022 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.780 -4.136 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.511 -3.751 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.291 -2.495 -5.629 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.779 -2.484 -3.157 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.423 -2.173 -2.615 1.00 0.00 C ATOM 1039 C ASP A 69 -11.991 -3.257 -1.623 1.00 0.00 C ATOM 1040 O ASP A 69 -10.815 -3.476 -1.409 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.452 -0.818 -1.904 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.555 0.170 -2.651 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -11.265 -0.081 -3.809 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.173 1.163 -2.052 1.00 0.00 O ATOM 0 H ASP A 69 -14.412 -1.687 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.712 -2.139 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.473 -0.439 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.111 -0.928 -0.875 1.00 0.00 H new ATOM 1049 N SER A 70 -12.925 -3.936 -1.014 1.00 0.00 N ATOM 1050 CA SER A 70 -12.554 -5.000 -0.037 1.00 0.00 C ATOM 1051 C SER A 70 -11.552 -5.960 -0.681 1.00 0.00 C ATOM 1052 O SER A 70 -11.925 -6.946 -1.286 1.00 0.00 O ATOM 1053 CB SER A 70 -13.807 -5.774 0.374 1.00 0.00 C ATOM 1054 OG SER A 70 -14.672 -4.915 1.105 1.00 0.00 O ATOM 0 H SER A 70 -13.927 -3.801 -1.150 1.00 0.00 H new ATOM 0 HA SER A 70 -12.103 -4.542 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.318 -6.157 -0.509 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.533 -6.636 0.982 1.00 0.00 H new ATOM 0 HG SER A 70 -15.355 -4.551 0.504 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.282 -5.681 -0.559 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.262 -6.580 -1.168 1.00 0.00 C ATOM 1062 C GLY A 71 -8.035 -6.667 -0.257 1.00 0.00 C ATOM 1063 O GLY A 71 -7.986 -6.070 0.805 1.00 0.00 O ATOM 0 H GLY A 71 -9.908 -4.871 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.684 -7.573 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.972 -6.204 -2.149 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.038 -7.403 -0.669 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.810 -7.527 0.165 1.00 0.00 C ATOM 1069 C ASN A 72 -4.744 -6.586 -0.387 1.00 0.00 C ATOM 1070 O ASN A 72 -3.987 -6.940 -1.265 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.299 -8.969 0.114 1.00 0.00 C ATOM 1072 CG ASN A 72 -5.854 -9.751 1.306 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -5.437 -9.466 2.509 1.00 0.00 O flip ATOM 1074 ND2 ASN A 72 -6.675 -10.630 1.140 1.00 0.00 N flip ATOM 0 H ASN A 72 -7.022 -7.923 -1.546 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.035 -7.265 1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.606 -9.442 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.209 -8.981 0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.001 -10.853 0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.039 -11.146 1.941 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.679 -5.388 0.115 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.665 -4.429 -0.393 1.00 0.00 C ATOM 1083 C TYR A 73 -2.292 -4.829 0.141 1.00 0.00 C ATOM 1084 O TYR A 73 -1.879 -4.414 1.204 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.030 -3.015 0.066 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.213 -2.519 -0.740 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.382 -3.289 -0.827 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.140 -1.289 -1.404 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.471 -2.830 -1.575 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.231 -0.832 -2.155 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.396 -1.603 -2.239 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.471 -1.153 -2.977 1.00 0.00 O ATOM 0 H TYR A 73 -5.284 -5.032 0.855 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.641 -4.447 -1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.274 -3.016 1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.179 -2.346 -0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.441 -4.238 -0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.242 -0.692 -1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.370 -3.424 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.173 0.116 -2.669 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.302 -1.495 -2.586 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.585 -5.645 -0.591 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.241 -6.088 -0.128 1.00 0.00 C ATOM 1104 C LYS A 74 0.836 -5.252 -0.815 1.00 0.00 C ATOM 1105 O LYS A 74 0.961 -5.253 -2.024 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.041 -7.564 -0.479 1.00 0.00 C ATOM 1107 CG LYS A 74 -0.748 -8.437 0.560 1.00 0.00 C ATOM 1108 CD LYS A 74 0.129 -9.645 0.894 1.00 0.00 C ATOM 1109 CE LYS A 74 -0.528 -10.918 0.357 1.00 0.00 C ATOM 1110 NZ LYS A 74 0.219 -12.110 0.852 1.00 0.00 N ATOM 0 H LYS A 74 -1.881 -6.024 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.168 -5.958 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.439 -7.769 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.022 -7.801 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.947 -7.858 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.712 -8.770 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.119 -9.521 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.266 -9.721 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.568 -10.967 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.533 -10.905 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.227 -12.976 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.204 -12.063 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.202 -12.123 1.892 1.00 0.00 H new ATOM 1124 N LEU A 75 1.618 -4.542 -0.054 1.00 0.00 N ATOM 1125 CA LEU A 75 2.690 -3.712 -0.662 1.00 0.00 C ATOM 1126 C LEU A 75 4.047 -4.326 -0.315 1.00 0.00 C ATOM 1127 O LEU A 75 4.257 -4.814 0.776 1.00 0.00 O ATOM 1128 CB LEU A 75 2.598 -2.283 -0.115 1.00 0.00 C ATOM 1129 CG LEU A 75 3.912 -1.537 -0.361 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.650 -0.279 -1.181 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.527 -1.143 0.982 1.00 0.00 C ATOM 0 H LEU A 75 1.561 -4.501 0.964 1.00 0.00 H new ATOM 0 HA LEU A 75 2.575 -3.682 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.775 -1.754 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.380 -2.308 0.953 1.00 0.00 H new ATOM 0 HG LEU A 75 4.596 -2.186 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.590 0.246 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.209 -0.554 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.964 0.372 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.463 -0.611 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.836 -0.497 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.721 -2.040 1.570 1.00 0.00 H new ATOM 1143 N LYS A 76 4.968 -4.305 -1.237 1.00 0.00 N ATOM 1144 CA LYS A 76 6.312 -4.888 -0.960 1.00 0.00 C ATOM 1145 C LYS A 76 7.388 -3.992 -1.573 1.00 0.00 C ATOM 1146 O LYS A 76 7.444 -3.810 -2.772 1.00 0.00 O ATOM 1147 CB LYS A 76 6.403 -6.285 -1.579 1.00 0.00 C ATOM 1148 CG LYS A 76 5.546 -6.344 -2.845 1.00 0.00 C ATOM 1149 CD LYS A 76 6.105 -7.407 -3.793 1.00 0.00 C ATOM 1150 CE LYS A 76 4.949 -8.149 -4.467 1.00 0.00 C ATOM 1151 NZ LYS A 76 5.434 -9.460 -4.985 1.00 0.00 N ATOM 0 H LYS A 76 4.849 -3.910 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 76 6.462 -4.958 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.440 -6.520 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.064 -7.034 -0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.513 -6.579 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.538 -5.371 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.740 -6.940 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.729 -8.110 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.139 -8.305 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.545 -7.550 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.648 -9.964 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.193 -9.300 -5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.799 -10.031 -4.196 1.00 0.00 H new ATOM 1165 N VAL A 77 8.247 -3.432 -0.765 1.00 0.00 N ATOM 1166 CA VAL A 77 9.311 -2.554 -1.323 1.00 0.00 C ATOM 1167 C VAL A 77 10.646 -3.302 -1.302 1.00 0.00 C ATOM 1168 O VAL A 77 10.873 -4.167 -0.480 1.00 0.00 O ATOM 1169 CB VAL A 77 9.387 -1.247 -0.511 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.995 -0.897 0.020 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.343 -1.391 0.676 1.00 0.00 C ATOM 0 H VAL A 77 8.258 -3.544 0.249 1.00 0.00 H new ATOM 0 HA VAL A 77 9.078 -2.294 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 77 9.756 -0.459 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.047 0.028 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.309 -0.766 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.637 -1.703 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.377 -0.454 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.992 -2.188 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.341 -1.634 0.312 1.00 0.00 H new ATOM 1181 N LYS A 78 11.523 -2.991 -2.216 1.00 0.00 N ATOM 1182 CA LYS A 78 12.832 -3.701 -2.262 1.00 0.00 C ATOM 1183 C LYS A 78 13.930 -2.738 -2.723 1.00 0.00 C ATOM 1184 O LYS A 78 13.665 -1.699 -3.296 1.00 0.00 O ATOM 1185 CB LYS A 78 12.726 -4.878 -3.242 1.00 0.00 C ATOM 1186 CG LYS A 78 14.124 -5.345 -3.664 1.00 0.00 C ATOM 1187 CD LYS A 78 14.010 -6.651 -4.451 1.00 0.00 C ATOM 1188 CE LYS A 78 14.761 -7.760 -3.712 1.00 0.00 C ATOM 1189 NZ LYS A 78 14.911 -8.942 -4.608 1.00 0.00 N ATOM 0 H LYS A 78 11.390 -2.277 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 78 13.084 -4.071 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.185 -5.701 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.154 -4.579 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.605 -4.581 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.751 -5.492 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.962 -6.925 -4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.423 -6.522 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.741 -7.402 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.219 -8.041 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.422 -9.696 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.971 -9.287 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.446 -8.668 -5.457 1.00 0.00 H new ATOM 1203 N ASN A 79 15.162 -3.088 -2.476 1.00 0.00 N ATOM 1204 CA ASN A 79 16.296 -2.218 -2.892 1.00 0.00 C ATOM 1205 C ASN A 79 17.566 -3.067 -2.979 1.00 0.00 C ATOM 1206 O ASN A 79 17.617 -4.175 -2.482 1.00 0.00 O ATOM 1207 CB ASN A 79 16.496 -1.110 -1.859 1.00 0.00 C ATOM 1208 CG ASN A 79 16.984 -1.728 -0.550 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.433 -2.705 -0.088 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.004 -1.200 0.069 1.00 0.00 N ATOM 0 H ASN A 79 15.433 -3.948 -1.999 1.00 0.00 H new ATOM 0 HA ASN A 79 16.081 -1.771 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 79 17.221 -0.382 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 79 15.561 -0.575 -1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.338 -1.609 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.467 -0.379 -0.320 1.00 0.00 H new ATOM 1217 N GLU A 80 18.589 -2.562 -3.607 1.00 0.00 N ATOM 1218 CA GLU A 80 19.851 -3.345 -3.726 1.00 0.00 C ATOM 1219 C GLU A 80 20.461 -3.565 -2.339 1.00 0.00 C ATOM 1220 O GLU A 80 21.227 -4.484 -2.127 1.00 0.00 O ATOM 1221 CB GLU A 80 20.844 -2.573 -4.595 1.00 0.00 C ATOM 1222 CG GLU A 80 21.521 -3.533 -5.575 1.00 0.00 C ATOM 1223 CD GLU A 80 22.756 -2.861 -6.178 1.00 0.00 C ATOM 1224 OE1 GLU A 80 22.592 -2.093 -7.111 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.845 -3.126 -5.696 1.00 0.00 O ATOM 0 H GLU A 80 18.607 -1.640 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 80 19.632 -4.311 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.328 -1.784 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.593 -2.089 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.808 -4.451 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.825 -3.814 -6.365 1.00 0.00 H new ATOM 1232 N LEU A 81 20.138 -2.723 -1.397 1.00 0.00 N ATOM 1233 CA LEU A 81 20.713 -2.879 -0.029 1.00 0.00 C ATOM 1234 C LEU A 81 19.806 -3.763 0.836 1.00 0.00 C ATOM 1235 O LEU A 81 19.999 -3.875 2.030 1.00 0.00 O ATOM 1236 CB LEU A 81 20.850 -1.502 0.623 1.00 0.00 C ATOM 1237 CG LEU A 81 22.331 -1.172 0.811 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.749 -0.102 -0.199 1.00 0.00 C ATOM 1239 CD2 LEU A 81 22.559 -0.648 2.231 1.00 0.00 C ATOM 0 H LEU A 81 19.502 -1.934 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 81 21.692 -3.352 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.374 -0.744 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.339 -1.491 1.586 1.00 0.00 H new ATOM 0 HG LEU A 81 22.926 -2.072 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.805 0.133 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.586 -0.473 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 81 22.154 0.798 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.615 -0.412 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 81 21.963 0.251 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.262 -1.410 2.952 1.00 0.00 H new ATOM 1251 N GLY A 82 18.823 -4.393 0.253 1.00 0.00 N ATOM 1252 CA GLY A 82 17.922 -5.266 1.064 1.00 0.00 C ATOM 1253 C GLY A 82 16.498 -5.196 0.512 1.00 0.00 C ATOM 1254 O GLY A 82 16.287 -5.186 -0.684 1.00 0.00 O ATOM 0 H GLY A 82 18.604 -4.343 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.280 -6.295 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.934 -4.948 2.106 1.00 0.00 H new ATOM 1258 N GLU A 83 15.515 -5.146 1.372 1.00 0.00 N ATOM 1259 CA GLU A 83 14.108 -5.076 0.885 1.00 0.00 C ATOM 1260 C GLU A 83 13.136 -5.196 2.061 1.00 0.00 C ATOM 1261 O GLU A 83 13.350 -5.956 2.985 1.00 0.00 O ATOM 1262 CB GLU A 83 13.851 -6.222 -0.094 1.00 0.00 C ATOM 1263 CG GLU A 83 14.615 -7.466 0.364 1.00 0.00 C ATOM 1264 CD GLU A 83 13.766 -8.711 0.104 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.554 -8.609 0.202 1.00 0.00 O ATOM 1266 OE2 GLU A 83 14.341 -9.746 -0.190 1.00 0.00 O ATOM 0 H GLU A 83 15.626 -5.151 2.386 1.00 0.00 H new ATOM 0 HA GLU A 83 13.954 -4.119 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.784 -6.437 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.169 -5.936 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.562 -7.541 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.852 -7.390 1.425 1.00 0.00 H new ATOM 1273 N ASP A 84 12.061 -4.456 2.023 1.00 0.00 N ATOM 1274 CA ASP A 84 11.060 -4.526 3.124 1.00 0.00 C ATOM 1275 C ASP A 84 9.669 -4.736 2.518 1.00 0.00 C ATOM 1276 O ASP A 84 9.506 -4.751 1.313 1.00 0.00 O ATOM 1277 CB ASP A 84 11.084 -3.223 3.925 1.00 0.00 C ATOM 1278 CG ASP A 84 11.170 -3.546 5.418 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.320 -4.279 5.895 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.085 -3.055 6.059 1.00 0.00 O ATOM 0 H ASP A 84 11.833 -3.803 1.273 1.00 0.00 H new ATOM 0 HA ASP A 84 11.300 -5.355 3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.936 -2.614 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.186 -2.640 3.719 1.00 0.00 H new ATOM 1285 N GLU A 85 8.664 -4.905 3.332 1.00 0.00 N ATOM 1286 CA GLU A 85 7.299 -5.122 2.775 1.00 0.00 C ATOM 1287 C GLU A 85 6.245 -4.894 3.861 1.00 0.00 C ATOM 1288 O GLU A 85 6.444 -5.219 5.015 1.00 0.00 O ATOM 1289 CB GLU A 85 7.191 -6.558 2.256 1.00 0.00 C ATOM 1290 CG GLU A 85 5.752 -6.847 1.823 1.00 0.00 C ATOM 1291 CD GLU A 85 5.526 -8.359 1.782 1.00 0.00 C ATOM 1292 OE1 GLU A 85 5.987 -9.033 2.688 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.895 -8.818 0.844 1.00 0.00 O ATOM 0 H GLU A 85 8.727 -4.902 4.350 1.00 0.00 H new ATOM 0 HA GLU A 85 7.127 -4.418 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.869 -6.702 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.494 -7.259 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.052 -6.383 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.562 -6.413 0.841 1.00 0.00 H new ATOM 1300 N ALA A 86 5.121 -4.343 3.493 1.00 0.00 N ATOM 1301 CA ALA A 86 4.042 -4.098 4.490 1.00 0.00 C ATOM 1302 C ALA A 86 2.723 -4.660 3.951 1.00 0.00 C ATOM 1303 O ALA A 86 2.421 -4.545 2.779 1.00 0.00 O ATOM 1304 CB ALA A 86 3.900 -2.594 4.730 1.00 0.00 C ATOM 0 H ALA A 86 4.903 -4.051 2.540 1.00 0.00 H new ATOM 0 HA ALA A 86 4.292 -4.590 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.110 -2.415 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.841 -2.196 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.647 -2.098 3.793 1.00 0.00 H new ATOM 1310 N ILE A 87 1.937 -5.270 4.796 1.00 0.00 N ATOM 1311 CA ILE A 87 0.642 -5.842 4.328 1.00 0.00 C ATOM 1312 C ILE A 87 -0.497 -4.883 4.679 1.00 0.00 C ATOM 1313 O ILE A 87 -0.482 -4.236 5.708 1.00 0.00 O ATOM 1314 CB ILE A 87 0.404 -7.188 5.015 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.012 -7.679 4.696 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.557 -7.024 6.528 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -1.365 -8.853 5.611 1.00 0.00 C ATOM 0 H ILE A 87 2.135 -5.397 5.789 1.00 0.00 H new ATOM 0 HA ILE A 87 0.676 -5.984 3.248 1.00 0.00 H new ATOM 0 HB ILE A 87 1.132 -7.914 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.728 -6.869 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.075 -7.986 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.387 -7.983 7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.564 -6.674 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.171 -6.298 6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.372 -9.202 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.655 -9.665 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.319 -8.530 6.651 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.488 -4.788 3.836 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.625 -3.872 4.129 1.00 0.00 C ATOM 1331 C PHE A 88 -3.945 -4.541 3.737 1.00 0.00 C ATOM 1332 O PHE A 88 -4.351 -4.516 2.592 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.463 -2.571 3.336 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.094 -1.984 3.588 1.00 0.00 C ATOM 1335 CD1 PHE A 88 0.037 -2.563 3.001 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.957 -0.857 4.408 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.304 -2.015 3.234 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.310 -0.310 4.641 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.441 -0.889 4.054 1.00 0.00 C ATOM 0 H PHE A 88 -1.559 -5.304 2.959 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.633 -3.649 5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.595 -2.765 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.234 -1.858 3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.068 -3.432 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.830 -0.410 4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.177 -2.462 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.415 0.559 5.274 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.419 -0.467 4.234 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.627 -5.122 4.684 1.00 0.00 N ATOM 1350 CA GLU A 89 -5.930 -5.771 4.372 1.00 0.00 C ATOM 1351 C GLU A 89 -6.987 -4.676 4.291 1.00 0.00 C ATOM 1352 O GLU A 89 -7.347 -4.074 5.283 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.294 -6.761 5.482 1.00 0.00 C ATOM 1354 CG GLU A 89 -6.541 -8.143 4.873 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.639 -8.859 5.660 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -7.845 -8.504 6.809 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -8.255 -9.751 5.101 1.00 0.00 O ATOM 0 H GLU A 89 -4.338 -5.175 5.661 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.870 -6.314 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.489 -6.814 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.185 -6.420 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.834 -8.044 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.623 -8.730 4.893 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.471 -4.384 3.121 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.474 -3.297 3.002 1.00 0.00 C ATOM 1366 C VAL A 90 -9.875 -3.881 2.851 1.00 0.00 C ATOM 1367 O VAL A 90 -10.145 -4.662 1.963 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.127 -2.440 1.788 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.836 -1.089 1.894 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.612 -2.222 1.756 1.00 0.00 C ATOM 0 H VAL A 90 -7.218 -4.847 2.248 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.457 -2.684 3.903 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.450 -2.942 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.587 -0.478 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.914 -1.246 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.513 -0.579 2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.351 -1.610 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.298 -1.715 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.107 -3.185 1.685 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.773 -3.495 3.715 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.163 -4.013 3.624 1.00 0.00 C ATOM 1382 C ILE A 91 -13.107 -2.840 3.382 1.00 0.00 C ATOM 1383 O ILE A 91 -12.709 -1.695 3.451 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.544 -4.712 4.926 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.499 -5.779 5.261 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -13.910 -5.370 4.751 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.311 -5.851 6.777 1.00 0.00 C ATOM 0 H ILE A 91 -10.602 -2.843 4.480 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.235 -4.728 2.805 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.585 -3.986 5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -11.817 -6.748 4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.552 -5.540 4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.193 -5.873 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.652 -4.609 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.862 -6.099 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.567 -6.611 7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.973 -4.883 7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.259 -6.110 7.249 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.349 -3.101 3.086 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.285 -1.978 2.833 1.00 0.00 C ATOM 1401 C VAL A 92 -16.619 -2.226 3.535 1.00 0.00 C ATOM 1402 O VAL A 92 -17.092 -3.342 3.624 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.505 -1.846 1.331 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.231 -0.534 1.030 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.145 -1.853 0.636 1.00 0.00 C ATOM 0 H VAL A 92 -14.751 -4.035 3.009 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.857 -1.056 3.227 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.112 -2.676 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.387 -0.443 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.195 -0.527 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.629 0.304 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.286 -1.759 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.547 -1.016 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.630 -2.788 0.854 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.230 -1.185 4.032 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.537 -1.346 4.729 1.00 0.00 C ATOM 1417 C GLN A 93 -19.648 -0.729 3.877 1.00 0.00 C ATOM 1418 O GLN A 93 -20.470 -1.478 3.376 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.483 -0.640 6.085 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.454 -1.318 7.053 1.00 0.00 C ATOM 1421 CD GLN A 93 -18.665 -2.035 8.150 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -18.784 -1.707 9.313 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -17.857 -3.008 7.825 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.658 0.484 3.740 1.00 0.00 O ATOM 0 H GLN A 93 -16.879 -0.228 3.985 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.740 -2.406 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.470 -0.676 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -18.743 0.412 5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.120 -0.577 7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -20.081 -2.030 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.757 -3.283 6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.326 -3.493 8.548 1.00 0.00 H new TER 1433 GLN A 93