USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 64 LYS NZ :NH3+ -121:sc= -0.014 (180deg=-0.146) USER MOD Set 1.2: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 TYR OH : rot 110:sc= -0.836 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=-0.21) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -155:sc= -1.67 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -151:sc= -0.0226 (180deg=-0.97) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.5!) USER MOD Single : A 32 MET CE :methyl -178:sc= 0 (180deg=-0.00361) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 59 SER OG : rot 69:sc= 1.22 USER MOD Single : A 62 THR OG1 : rot 180:sc=0.000118 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.212) USER MOD Single : A 68 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -111:sc= -0.418 (180deg=-2.1!) USER MOD Single : A 78 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.55!) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 82 THR OG1 : rot 40:sc= -0.608 USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= -0.086 (180deg=-0.448) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 29:sc= -3.87! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 7.028 5.918 -10.774 1.00 0.00 N ATOM 75 CA LYS A 6 7.269 4.834 -9.829 1.00 0.00 C ATOM 76 C LYS A 6 8.109 5.316 -8.651 1.00 0.00 C ATOM 77 O LYS A 6 9.043 6.098 -8.819 1.00 0.00 O ATOM 78 CB LYS A 6 7.969 3.667 -10.528 1.00 0.00 C ATOM 79 CG LYS A 6 7.183 3.096 -11.696 1.00 0.00 C ATOM 80 CD LYS A 6 8.004 2.082 -12.479 1.00 0.00 C ATOM 81 CE LYS A 6 8.228 0.808 -11.677 1.00 0.00 C ATOM 82 NZ LYS A 6 7.958 -0.411 -12.488 1.00 0.00 N ATOM 0 HA LYS A 6 6.305 4.495 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.943 4.000 -10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.150 2.875 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.274 2.622 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.874 3.905 -12.358 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.494 1.841 -13.412 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.966 2.519 -12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.256 0.783 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.580 0.812 -10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.122 -1.258 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.970 -0.400 -12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.593 -0.428 -13.311 1.00 0.00 H new ATOM 96 N LEU A 7 7.769 4.842 -7.456 1.00 0.00 N ATOM 97 CA LEU A 7 8.490 5.224 -6.248 1.00 0.00 C ATOM 98 C LEU A 7 9.451 4.120 -5.814 1.00 0.00 C ATOM 99 O LEU A 7 9.212 2.940 -6.068 1.00 0.00 O ATOM 100 CB LEU A 7 7.503 5.536 -5.119 1.00 0.00 C ATOM 101 CG LEU A 7 7.738 6.865 -4.398 1.00 0.00 C ATOM 102 CD1 LEU A 7 9.072 6.848 -3.670 1.00 0.00 C ATOM 103 CD2 LEU A 7 7.681 8.021 -5.385 1.00 0.00 C ATOM 0 H LEU A 7 6.998 4.193 -7.299 1.00 0.00 H new ATOM 0 HA LEU A 7 9.073 6.118 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.494 5.538 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.547 4.730 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 7 6.948 7.003 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.222 7.801 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.076 6.042 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.876 6.688 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.850 8.959 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.451 7.889 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.701 8.044 -5.862 1.00 0.00 H new ATOM 115 N HIS A 8 10.537 4.514 -5.155 1.00 0.00 N ATOM 116 CA HIS A 8 11.535 3.562 -4.683 1.00 0.00 C ATOM 117 C HIS A 8 11.687 3.648 -3.168 1.00 0.00 C ATOM 118 O HIS A 8 12.513 4.405 -2.658 1.00 0.00 O ATOM 119 CB HIS A 8 12.881 3.822 -5.359 1.00 0.00 C ATOM 120 CG HIS A 8 13.822 2.658 -5.289 1.00 0.00 C ATOM 121 ND1 HIS A 8 13.426 1.355 -5.509 1.00 0.00 N ATOM 122 CD2 HIS A 8 15.148 2.606 -5.023 1.00 0.00 C ATOM 123 CE1 HIS A 8 14.467 0.553 -5.379 1.00 0.00 C ATOM 124 NE2 HIS A 8 15.525 1.287 -5.085 1.00 0.00 N ATOM 0 H HIS A 8 10.748 5.488 -4.936 1.00 0.00 H new ATOM 0 HA HIS A 8 11.198 2.559 -4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.710 4.078 -6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.351 4.687 -4.892 1.00 0.00 H new ATOM 0 HD2 HIS A 8 15.790 3.446 -4.803 1.00 0.00 H new ATOM 0 HE1 HIS A 8 14.455 -0.521 -5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 8 16.468 0.932 -4.929 1.00 0.00 H new ATOM 133 N LYS A 9 10.880 2.872 -2.454 1.00 0.00 N ATOM 134 CA LYS A 9 10.918 2.860 -0.996 1.00 0.00 C ATOM 135 C LYS A 9 11.211 1.459 -0.468 1.00 0.00 C ATOM 136 O LYS A 9 10.991 0.466 -1.161 1.00 0.00 O ATOM 137 CB LYS A 9 9.592 3.366 -0.426 1.00 0.00 C ATOM 138 CG LYS A 9 9.748 4.183 0.847 1.00 0.00 C ATOM 139 CD LYS A 9 10.417 5.520 0.573 1.00 0.00 C ATOM 140 CE LYS A 9 9.395 6.618 0.329 1.00 0.00 C ATOM 141 NZ LYS A 9 9.330 7.580 1.463 1.00 0.00 N ATOM 0 H LYS A 9 10.190 2.241 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 9 11.721 3.523 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.091 3.974 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.944 2.513 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.769 4.350 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.338 3.621 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.048 5.792 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.069 5.430 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.649 7.153 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.413 6.172 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.621 8.313 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.063 7.075 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.260 8.026 1.594 1.00 0.00 H new ATOM 155 N GLU A 10 11.707 1.389 0.762 1.00 0.00 N ATOM 156 CA GLU A 10 12.029 0.111 1.386 1.00 0.00 C ATOM 157 C GLU A 10 10.977 -0.261 2.430 1.00 0.00 C ATOM 158 O GLU A 10 10.256 0.604 2.929 1.00 0.00 O ATOM 159 CB GLU A 10 13.413 0.171 2.035 1.00 0.00 C ATOM 160 CG GLU A 10 14.467 0.834 1.164 1.00 0.00 C ATOM 161 CD GLU A 10 15.154 1.996 1.857 1.00 0.00 C ATOM 162 OE1 GLU A 10 14.454 2.957 2.238 1.00 0.00 O ATOM 163 OE2 GLU A 10 16.391 1.943 2.020 1.00 0.00 O ATOM 0 H GLU A 10 11.895 2.203 1.347 1.00 0.00 H new ATOM 0 HA GLU A 10 12.034 -0.656 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.339 0.713 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.737 -0.842 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.214 0.094 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.002 1.189 0.244 1.00 0.00 H new ATOM 170 N PRO A 11 10.870 -1.557 2.770 1.00 0.00 N ATOM 171 CA PRO A 11 9.894 -2.033 3.752 1.00 0.00 C ATOM 172 C PRO A 11 10.339 -1.780 5.188 1.00 0.00 C ATOM 173 O PRO A 11 11.528 -1.624 5.462 1.00 0.00 O ATOM 174 CB PRO A 11 9.829 -3.532 3.466 1.00 0.00 C ATOM 175 CG PRO A 11 11.185 -3.875 2.955 1.00 0.00 C ATOM 176 CD PRO A 11 11.681 -2.659 2.217 1.00 0.00 C ATOM 0 HA PRO A 11 8.936 -1.520 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.590 -4.098 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.058 -3.762 2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.856 -4.132 3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.144 -4.741 2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.746 -2.496 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.540 -2.759 1.141 1.00 0.00 H new ATOM 184 N ALA A 12 9.372 -1.736 6.100 1.00 0.00 N ATOM 185 CA ALA A 12 9.662 -1.498 7.509 1.00 0.00 C ATOM 186 C ALA A 12 9.187 -2.663 8.379 1.00 0.00 C ATOM 187 O ALA A 12 9.934 -3.611 8.619 1.00 0.00 O ATOM 188 CB ALA A 12 9.028 -0.191 7.961 1.00 0.00 C ATOM 0 H ALA A 12 8.382 -1.862 5.888 1.00 0.00 H new ATOM 0 HA ALA A 12 10.743 -1.421 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.251 -0.024 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.430 0.632 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.948 -0.244 7.823 1.00 0.00 H new ATOM 194 N THR A 13 7.942 -2.588 8.853 1.00 0.00 N ATOM 195 CA THR A 13 7.377 -3.641 9.696 1.00 0.00 C ATOM 196 C THR A 13 5.984 -3.257 10.185 1.00 0.00 C ATOM 197 O THR A 13 5.589 -2.092 10.118 1.00 0.00 O ATOM 198 CB THR A 13 8.291 -3.916 10.894 1.00 0.00 C ATOM 199 OG1 THR A 13 9.167 -2.825 11.119 1.00 0.00 O ATOM 200 CG2 THR A 13 9.139 -5.157 10.728 1.00 0.00 C ATOM 0 H THR A 13 7.308 -1.811 8.668 1.00 0.00 H new ATOM 0 HA THR A 13 7.297 -4.547 9.095 1.00 0.00 H new ATOM 0 HB THR A 13 7.619 -4.064 11.740 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.741 -3.020 11.889 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.762 -5.293 11.612 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.492 -6.026 10.603 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.775 -5.049 9.849 1.00 0.00 H new ATOM 208 N LEU A 14 5.242 -4.245 10.680 1.00 0.00 N ATOM 209 CA LEU A 14 3.892 -4.013 11.183 1.00 0.00 C ATOM 210 C LEU A 14 3.918 -3.675 12.671 1.00 0.00 C ATOM 211 O LEU A 14 4.677 -4.268 13.438 1.00 0.00 O ATOM 212 CB LEU A 14 3.018 -5.244 10.944 1.00 0.00 C ATOM 213 CG LEU A 14 3.543 -6.542 11.566 1.00 0.00 C ATOM 214 CD1 LEU A 14 2.743 -6.904 12.807 1.00 0.00 C ATOM 215 CD2 LEU A 14 3.497 -7.676 10.552 1.00 0.00 C ATOM 0 H LEU A 14 5.554 -5.214 10.743 1.00 0.00 H new ATOM 0 HA LEU A 14 3.470 -3.166 10.643 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.022 -5.046 11.340 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.910 -5.391 9.869 1.00 0.00 H new ATOM 0 HG LEU A 14 4.580 -6.385 11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.132 -7.829 13.234 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.827 -6.102 13.541 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.696 -7.041 12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.874 -8.590 11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.469 -7.831 10.226 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.116 -7.420 9.692 1.00 0.00 H new ATOM 227 N ILE A 15 3.084 -2.719 13.075 1.00 0.00 N ATOM 228 CA ILE A 15 3.018 -2.308 14.473 1.00 0.00 C ATOM 229 C ILE A 15 1.594 -2.404 15.015 1.00 0.00 C ATOM 230 O ILE A 15 1.263 -3.339 15.743 1.00 0.00 O ATOM 231 CB ILE A 15 3.543 -0.870 14.673 1.00 0.00 C ATOM 232 CG1 ILE A 15 4.705 -0.583 13.720 1.00 0.00 C ATOM 233 CG2 ILE A 15 3.970 -0.662 16.118 1.00 0.00 C ATOM 234 CD1 ILE A 15 5.246 0.826 13.837 1.00 0.00 C ATOM 0 H ILE A 15 2.447 -2.217 12.456 1.00 0.00 H new ATOM 0 HA ILE A 15 3.658 -2.994 15.027 1.00 0.00 H new ATOM 0 HB ILE A 15 2.738 -0.172 14.446 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.510 -1.291 13.917 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.375 -0.753 12.695 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.338 0.356 16.246 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.117 -0.825 16.777 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.761 -1.368 16.369 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.067 0.960 13.133 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.454 1.540 13.611 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.607 0.994 14.852 1.00 0.00 H new ATOM 246 N LYS A 16 0.754 -1.433 14.658 1.00 0.00 N ATOM 247 CA LYS A 16 -0.631 -1.419 15.118 1.00 0.00 C ATOM 248 C LYS A 16 -1.556 -0.854 14.046 1.00 0.00 C ATOM 249 O LYS A 16 -1.231 0.134 13.388 1.00 0.00 O ATOM 250 CB LYS A 16 -0.757 -0.593 16.401 1.00 0.00 C ATOM 251 CG LYS A 16 -0.206 -1.295 17.632 1.00 0.00 C ATOM 252 CD LYS A 16 0.300 -0.297 18.664 1.00 0.00 C ATOM 253 CE LYS A 16 -0.692 -0.121 19.804 1.00 0.00 C ATOM 254 NZ LYS A 16 -0.082 0.584 20.965 1.00 0.00 N ATOM 0 H LYS A 16 1.008 -0.651 14.055 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.928 -2.447 15.324 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.233 0.353 16.267 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.807 -0.355 16.568 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.983 -1.917 18.076 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.606 -1.961 17.340 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.256 -0.637 19.062 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.478 0.665 18.184 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.556 0.442 19.450 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.056 -1.098 20.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.789 0.685 21.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.727 0.035 21.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.243 1.526 20.667 1.00 0.00 H new ATOM 268 N ALA A 17 -2.713 -1.488 13.876 1.00 0.00 N ATOM 269 CA ALA A 17 -3.689 -1.049 12.887 1.00 0.00 C ATOM 270 C ALA A 17 -5.056 -0.834 13.527 1.00 0.00 C ATOM 271 O ALA A 17 -5.751 -1.792 13.866 1.00 0.00 O ATOM 272 CB ALA A 17 -3.787 -2.063 11.757 1.00 0.00 C ATOM 0 H ALA A 17 -2.996 -2.308 14.412 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.353 -0.096 12.477 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.520 -1.723 11.025 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.815 -2.167 11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.097 -3.027 12.159 1.00 0.00 H new ATOM 278 N ILE A 18 -5.436 0.430 13.692 1.00 0.00 N ATOM 279 CA ILE A 18 -6.722 0.770 14.296 1.00 0.00 C ATOM 280 C ILE A 18 -7.873 0.019 13.616 1.00 0.00 C ATOM 281 O ILE A 18 -8.377 -0.967 14.152 1.00 0.00 O ATOM 282 CB ILE A 18 -6.982 2.301 14.262 1.00 0.00 C ATOM 283 CG1 ILE A 18 -8.470 2.611 14.470 1.00 0.00 C ATOM 284 CG2 ILE A 18 -6.482 2.916 12.960 1.00 0.00 C ATOM 285 CD1 ILE A 18 -8.719 3.895 15.232 1.00 0.00 C ATOM 0 H ILE A 18 -4.873 1.235 13.417 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.677 0.458 15.339 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.423 2.749 15.083 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.959 2.674 13.498 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.934 1.783 15.007 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.678 3.988 12.965 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.410 2.743 12.864 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.000 2.457 12.118 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.792 4.051 15.342 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.259 3.828 16.218 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.285 4.732 14.686 1.00 0.00 H new ATOM 297 N ASP A 19 -8.284 0.486 12.439 1.00 0.00 N ATOM 298 CA ASP A 19 -9.369 -0.151 11.703 1.00 0.00 C ATOM 299 C ASP A 19 -8.878 -0.672 10.354 1.00 0.00 C ATOM 300 O ASP A 19 -8.587 -1.859 10.206 1.00 0.00 O ATOM 301 CB ASP A 19 -10.523 0.835 11.501 1.00 0.00 C ATOM 302 CG ASP A 19 -11.722 0.506 12.369 1.00 0.00 C ATOM 303 OD1 ASP A 19 -11.518 0.091 13.529 1.00 0.00 O ATOM 304 OD2 ASP A 19 -12.864 0.666 11.890 1.00 0.00 O ATOM 0 H ASP A 19 -7.882 1.302 11.977 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.727 -0.999 12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.179 1.844 11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.824 0.829 10.453 1.00 0.00 H new ATOM 309 N GLY A 20 -8.786 0.222 9.376 1.00 0.00 N ATOM 310 CA GLY A 20 -8.327 -0.166 8.055 1.00 0.00 C ATOM 311 C GLY A 20 -8.172 1.020 7.122 1.00 0.00 C ATOM 312 O GLY A 20 -8.398 0.905 5.917 1.00 0.00 O ATOM 0 H GLY A 20 -9.021 1.210 9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.371 -0.682 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.033 -0.875 7.622 1.00 0.00 H new ATOM 316 N ASP A 21 -7.786 2.163 7.681 1.00 0.00 N ATOM 317 CA ASP A 21 -7.603 3.377 6.893 1.00 0.00 C ATOM 318 C ASP A 21 -6.180 3.912 7.033 1.00 0.00 C ATOM 319 O ASP A 21 -5.612 4.444 6.079 1.00 0.00 O ATOM 320 CB ASP A 21 -8.607 4.445 7.326 1.00 0.00 C ATOM 321 CG ASP A 21 -9.020 5.347 6.179 1.00 0.00 C ATOM 322 OD1 ASP A 21 -8.152 6.077 5.656 1.00 0.00 O ATOM 323 OD2 ASP A 21 -10.211 5.324 5.805 1.00 0.00 O ATOM 0 H ASP A 21 -7.594 2.274 8.677 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.774 3.129 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.491 3.962 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.171 5.049 8.121 1.00 0.00 H new ATOM 328 N THR A 22 -5.608 3.768 8.224 1.00 0.00 N ATOM 329 CA THR A 22 -4.251 4.234 8.481 1.00 0.00 C ATOM 330 C THR A 22 -3.549 3.329 9.488 1.00 0.00 C ATOM 331 O THR A 22 -4.152 2.886 10.464 1.00 0.00 O ATOM 332 CB THR A 22 -4.270 5.674 8.998 1.00 0.00 C ATOM 333 OG1 THR A 22 -3.015 6.023 9.553 1.00 0.00 O ATOM 334 CG2 THR A 22 -5.324 5.918 10.058 1.00 0.00 C ATOM 0 H THR A 22 -6.063 3.332 9.026 1.00 0.00 H new ATOM 0 HA THR A 22 -3.699 4.202 7.542 1.00 0.00 H new ATOM 0 HB THR A 22 -4.504 6.289 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.135 6.742 10.208 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.282 6.958 10.380 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.310 5.705 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.139 5.266 10.912 1.00 0.00 H new ATOM 342 N VAL A 23 -2.273 3.055 9.240 1.00 0.00 N ATOM 343 CA VAL A 23 -1.491 2.200 10.125 1.00 0.00 C ATOM 344 C VAL A 23 -0.056 2.697 10.248 1.00 0.00 C ATOM 345 O VAL A 23 0.612 2.957 9.247 1.00 0.00 O ATOM 346 CB VAL A 23 -1.480 0.742 9.625 1.00 0.00 C ATOM 347 CG1 VAL A 23 -0.793 -0.165 10.634 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.898 0.265 9.349 1.00 0.00 C ATOM 0 H VAL A 23 -1.759 3.412 8.435 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.966 2.238 11.105 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.917 0.700 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.795 -1.190 10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.235 0.166 10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.326 -0.122 11.584 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.873 -0.766 8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.486 0.321 10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.353 0.898 8.587 1.00 0.00 H new ATOM 358 N LYS A 24 0.408 2.833 11.486 1.00 0.00 N ATOM 359 CA LYS A 24 1.761 3.304 11.752 1.00 0.00 C ATOM 360 C LYS A 24 2.782 2.182 11.572 1.00 0.00 C ATOM 361 O LYS A 24 2.516 1.026 11.898 1.00 0.00 O ATOM 362 CB LYS A 24 1.854 3.864 13.172 1.00 0.00 C ATOM 363 CG LYS A 24 1.409 2.883 14.245 1.00 0.00 C ATOM 364 CD LYS A 24 0.417 3.519 15.207 1.00 0.00 C ATOM 365 CE LYS A 24 0.644 3.045 16.633 1.00 0.00 C ATOM 366 NZ LYS A 24 1.664 3.869 17.336 1.00 0.00 N ATOM 0 H LYS A 24 -0.136 2.623 12.323 1.00 0.00 H new ATOM 0 HA LYS A 24 1.989 4.093 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.884 4.162 13.369 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.243 4.764 13.239 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.954 2.011 13.776 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.279 2.529 14.799 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.511 4.604 15.164 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.599 3.274 14.898 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.296 3.085 17.183 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.963 2.003 16.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.790 3.513 18.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.569 3.811 16.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.348 4.859 17.369 1.00 0.00 H new ATOM 380 N LEU A 25 3.953 2.540 11.054 1.00 0.00 N ATOM 381 CA LEU A 25 5.024 1.574 10.830 1.00 0.00 C ATOM 382 C LEU A 25 6.367 2.147 11.274 1.00 0.00 C ATOM 383 O LEU A 25 6.496 3.353 11.486 1.00 0.00 O ATOM 384 CB LEU A 25 5.084 1.182 9.353 1.00 0.00 C ATOM 385 CG LEU A 25 4.976 2.353 8.371 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.204 2.412 7.473 1.00 0.00 C ATOM 387 CD2 LEU A 25 3.708 2.237 7.537 1.00 0.00 C ATOM 0 H LEU A 25 4.185 3.495 10.781 1.00 0.00 H new ATOM 0 HA LEU A 25 4.813 0.685 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.022 0.657 9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.279 0.477 9.146 1.00 0.00 H new ATOM 0 HG LEU A 25 4.925 3.279 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.110 3.250 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.096 2.545 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.287 1.483 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.649 3.078 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.727 1.304 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.838 2.246 8.194 1.00 0.00 H new ATOM 399 N MET A 26 7.364 1.280 11.414 1.00 0.00 N ATOM 400 CA MET A 26 8.694 1.710 11.835 1.00 0.00 C ATOM 401 C MET A 26 9.513 2.188 10.642 1.00 0.00 C ATOM 402 O MET A 26 10.074 1.384 9.899 1.00 0.00 O ATOM 403 CB MET A 26 9.427 0.566 12.541 1.00 0.00 C ATOM 404 CG MET A 26 8.821 0.185 13.883 1.00 0.00 C ATOM 405 SD MET A 26 8.685 1.585 15.012 1.00 0.00 S ATOM 406 CE MET A 26 7.938 0.799 16.437 1.00 0.00 C ATOM 0 H MET A 26 7.278 0.278 11.243 1.00 0.00 H new ATOM 0 HA MET A 26 8.574 2.540 12.531 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.427 -0.309 11.891 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.468 0.852 12.691 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.832 -0.243 13.721 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.432 -0.590 14.345 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.337 1.527 16.981 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.302 -0.023 16.108 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.720 0.413 17.091 1.00 0.00 H new ATOM 416 N TYR A 27 9.583 3.504 10.465 1.00 0.00 N ATOM 417 CA TYR A 27 10.338 4.087 9.361 1.00 0.00 C ATOM 418 C TYR A 27 11.511 4.913 9.881 1.00 0.00 C ATOM 419 O TYR A 27 11.354 6.085 10.225 1.00 0.00 O ATOM 420 CB TYR A 27 9.428 4.963 8.498 1.00 0.00 C ATOM 421 CG TYR A 27 10.035 5.341 7.166 1.00 0.00 C ATOM 422 CD1 TYR A 27 11.037 6.299 7.085 1.00 0.00 C ATOM 423 CD2 TYR A 27 9.605 4.738 5.989 1.00 0.00 C ATOM 424 CE1 TYR A 27 11.594 6.647 5.868 1.00 0.00 C ATOM 425 CE2 TYR A 27 10.157 5.081 4.769 1.00 0.00 C ATOM 426 CZ TYR A 27 11.150 6.036 4.714 1.00 0.00 C ATOM 427 OH TYR A 27 11.703 6.381 3.501 1.00 0.00 O ATOM 0 H TYR A 27 9.127 4.186 11.071 1.00 0.00 H new ATOM 0 HA TYR A 27 10.730 3.272 8.753 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.490 4.436 8.324 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.185 5.872 9.048 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.387 6.780 7.987 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.827 3.990 6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.373 7.394 5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.812 4.603 3.864 1.00 0.00 H new ATOM 0 HH TYR A 27 12.245 5.637 3.165 1.00 0.00 H new ATOM 437 N LYS A 28 12.685 4.294 9.935 1.00 0.00 N ATOM 438 CA LYS A 28 13.887 4.971 10.413 1.00 0.00 C ATOM 439 C LYS A 28 13.695 5.483 11.837 1.00 0.00 C ATOM 440 O LYS A 28 14.282 6.491 12.229 1.00 0.00 O ATOM 441 CB LYS A 28 14.242 6.134 9.486 1.00 0.00 C ATOM 442 CG LYS A 28 15.000 5.709 8.238 1.00 0.00 C ATOM 443 CD LYS A 28 16.478 6.054 8.336 1.00 0.00 C ATOM 444 CE LYS A 28 17.166 5.941 6.985 1.00 0.00 C ATOM 445 NZ LYS A 28 17.923 4.664 6.852 1.00 0.00 N ATOM 0 H LYS A 28 12.831 3.324 9.654 1.00 0.00 H new ATOM 0 HA LYS A 28 14.704 4.250 10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.325 6.643 9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.843 6.857 10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.885 4.635 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.569 6.199 7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.592 7.068 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.962 5.387 9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.421 6.006 6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.847 6.782 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.377 4.626 5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.651 4.613 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.270 3.861 6.953 1.00 0.00 H new ATOM 459 N GLY A 29 12.870 4.781 12.607 1.00 0.00 N ATOM 460 CA GLY A 29 12.617 5.180 13.980 1.00 0.00 C ATOM 461 C GLY A 29 11.422 6.107 14.108 1.00 0.00 C ATOM 462 O GLY A 29 10.920 6.329 15.210 1.00 0.00 O ATOM 0 H GLY A 29 12.372 3.943 12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.449 4.291 14.588 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.502 5.676 14.379 1.00 0.00 H new ATOM 466 N GLN A 30 10.964 6.651 12.984 1.00 0.00 N ATOM 467 CA GLN A 30 9.822 7.557 12.984 1.00 0.00 C ATOM 468 C GLN A 30 8.545 6.823 12.579 1.00 0.00 C ATOM 469 O GLN A 30 8.566 5.967 11.696 1.00 0.00 O ATOM 470 CB GLN A 30 10.073 8.728 12.033 1.00 0.00 C ATOM 471 CG GLN A 30 10.899 9.846 12.647 1.00 0.00 C ATOM 472 CD GLN A 30 10.074 11.081 12.955 1.00 0.00 C ATOM 473 OE1 GLN A 30 9.094 11.372 12.270 1.00 0.00 O ATOM 474 NE2 GLN A 30 10.468 11.814 13.989 1.00 0.00 N ATOM 0 H GLN A 30 11.367 6.480 12.063 1.00 0.00 H new ATOM 0 HA GLN A 30 9.695 7.941 13.996 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.582 8.359 11.143 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.115 9.133 11.708 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.364 9.487 13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.705 10.114 11.964 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.287 11.535 14.529 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.952 12.656 14.243 1.00 0.00 H new ATOM 483 N PRO A 31 7.409 7.151 13.223 1.00 0.00 N ATOM 484 CA PRO A 31 6.122 6.518 12.922 1.00 0.00 C ATOM 485 C PRO A 31 5.505 7.049 11.633 1.00 0.00 C ATOM 486 O PRO A 31 5.477 8.257 11.399 1.00 0.00 O ATOM 487 CB PRO A 31 5.260 6.898 14.122 1.00 0.00 C ATOM 488 CG PRO A 31 5.811 8.204 14.580 1.00 0.00 C ATOM 489 CD PRO A 31 7.289 8.161 14.292 1.00 0.00 C ATOM 0 HA PRO A 31 6.218 5.443 12.769 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.210 6.986 13.844 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.320 6.145 14.908 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.336 9.033 14.055 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.626 8.353 15.644 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.662 9.133 13.968 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.861 7.878 15.176 1.00 0.00 H new ATOM 497 N MET A 32 5.009 6.141 10.798 1.00 0.00 N ATOM 498 CA MET A 32 4.392 6.523 9.533 1.00 0.00 C ATOM 499 C MET A 32 3.020 5.874 9.378 1.00 0.00 C ATOM 500 O MET A 32 2.913 4.660 9.206 1.00 0.00 O ATOM 501 CB MET A 32 5.296 6.122 8.367 1.00 0.00 C ATOM 502 CG MET A 32 6.549 6.975 8.245 1.00 0.00 C ATOM 503 SD MET A 32 6.410 8.241 6.970 1.00 0.00 S ATOM 504 CE MET A 32 8.083 8.880 6.944 1.00 0.00 C ATOM 0 H MET A 32 5.022 5.136 10.975 1.00 0.00 H new ATOM 0 HA MET A 32 4.261 7.605 9.529 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.588 5.079 8.487 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.729 6.190 7.439 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.753 7.452 9.204 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.400 6.332 8.021 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.149 9.698 6.227 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.349 9.245 7.936 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.771 8.086 6.653 1.00 0.00 H new ATOM 514 N THR A 33 1.971 6.693 9.443 1.00 0.00 N ATOM 515 CA THR A 33 0.603 6.201 9.318 1.00 0.00 C ATOM 516 C THR A 33 0.070 6.351 7.891 1.00 0.00 C ATOM 517 O THR A 33 -0.587 7.338 7.561 1.00 0.00 O ATOM 518 CB THR A 33 -0.313 6.943 10.296 1.00 0.00 C ATOM 519 OG1 THR A 33 0.341 8.075 10.842 1.00 0.00 O ATOM 520 CG2 THR A 33 -0.774 6.080 11.452 1.00 0.00 C ATOM 0 H THR A 33 2.044 7.701 9.582 1.00 0.00 H new ATOM 0 HA THR A 33 0.613 5.138 9.559 1.00 0.00 H new ATOM 0 HB THR A 33 -1.183 7.237 9.708 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.263 8.534 11.462 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.419 6.665 12.108 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.327 5.223 11.068 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.093 5.730 12.013 1.00 0.00 H new ATOM 528 N PHE A 34 0.342 5.349 7.061 1.00 0.00 N ATOM 529 CA PHE A 34 -0.121 5.335 5.676 1.00 0.00 C ATOM 530 C PHE A 34 -0.620 3.933 5.330 1.00 0.00 C ATOM 531 O PHE A 34 0.179 3.007 5.190 1.00 0.00 O ATOM 532 CB PHE A 34 1.011 5.734 4.719 1.00 0.00 C ATOM 533 CG PHE A 34 1.811 6.935 5.152 1.00 0.00 C ATOM 534 CD1 PHE A 34 2.523 6.925 6.341 1.00 0.00 C ATOM 535 CD2 PHE A 34 1.857 8.074 4.363 1.00 0.00 C ATOM 536 CE1 PHE A 34 3.262 8.025 6.733 1.00 0.00 C ATOM 537 CE2 PHE A 34 2.595 9.176 4.751 1.00 0.00 C ATOM 538 CZ PHE A 34 3.297 9.151 5.937 1.00 0.00 C ATOM 0 H PHE A 34 0.886 4.528 7.326 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.931 6.056 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.687 4.887 4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.583 5.935 3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.500 6.047 6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.309 8.100 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.812 8.003 7.662 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.622 10.056 4.126 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.874 10.012 6.243 1.00 0.00 H new ATOM 548 N ARG A 35 -1.936 3.769 5.215 1.00 0.00 N ATOM 549 CA ARG A 35 -2.506 2.456 4.911 1.00 0.00 C ATOM 550 C ARG A 35 -3.680 2.531 3.935 1.00 0.00 C ATOM 551 O ARG A 35 -4.644 3.262 4.158 1.00 0.00 O ATOM 552 CB ARG A 35 -2.960 1.773 6.203 1.00 0.00 C ATOM 553 CG ARG A 35 -2.970 0.256 6.118 1.00 0.00 C ATOM 554 CD ARG A 35 -1.615 -0.333 6.478 1.00 0.00 C ATOM 555 NE ARG A 35 -1.177 -1.335 5.509 1.00 0.00 N ATOM 556 CZ ARG A 35 0.078 -1.757 5.397 1.00 0.00 C ATOM 557 NH1 ARG A 35 1.023 -1.268 6.191 1.00 0.00 N ATOM 558 NH2 ARG A 35 0.392 -2.671 4.490 1.00 0.00 N ATOM 0 H ARG A 35 -2.621 4.517 5.326 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.720 1.874 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.302 2.079 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.962 2.121 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.731 -0.142 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.244 -0.051 5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.876 0.466 6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.668 -0.786 7.468 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.875 -1.734 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.787 -0.565 6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.985 -1.595 6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.330 -3.051 3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.356 -2.995 4.404 1.00 0.00 H new ATOM 572 N LEU A 36 -3.603 1.741 2.867 1.00 0.00 N ATOM 573 CA LEU A 36 -4.668 1.682 1.869 1.00 0.00 C ATOM 574 C LEU A 36 -4.833 0.256 1.353 1.00 0.00 C ATOM 575 O LEU A 36 -3.956 -0.267 0.666 1.00 0.00 O ATOM 576 CB LEU A 36 -4.379 2.627 0.706 1.00 0.00 C ATOM 577 CG LEU A 36 -5.616 3.154 -0.022 1.00 0.00 C ATOM 578 CD1 LEU A 36 -6.304 4.230 0.807 1.00 0.00 C ATOM 579 CD2 LEU A 36 -5.240 3.692 -1.393 1.00 0.00 C ATOM 0 H LEU A 36 -2.810 1.130 2.670 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.596 1.997 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.808 3.476 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.745 2.109 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.314 2.328 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.182 4.594 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.609 3.811 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.614 5.056 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.133 4.063 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.523 4.505 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.794 2.894 -1.987 1.00 0.00 H new ATOM 591 N LEU A 37 -5.952 -0.378 1.694 1.00 0.00 N ATOM 592 CA LEU A 37 -6.203 -1.747 1.260 1.00 0.00 C ATOM 593 C LEU A 37 -7.679 -1.977 0.953 1.00 0.00 C ATOM 594 O LEU A 37 -8.557 -1.359 1.555 1.00 0.00 O ATOM 595 CB LEU A 37 -5.739 -2.734 2.333 1.00 0.00 C ATOM 596 CG LEU A 37 -6.354 -2.517 3.720 1.00 0.00 C ATOM 597 CD1 LEU A 37 -6.990 -3.800 4.231 1.00 0.00 C ATOM 598 CD2 LEU A 37 -5.303 -2.014 4.699 1.00 0.00 C ATOM 0 H LEU A 37 -6.692 0.031 2.264 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.637 -1.911 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.974 -3.745 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.654 -2.671 2.419 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.133 -1.760 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.421 -3.625 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.774 -4.116 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.231 -4.580 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.759 -1.866 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.500 -2.747 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.896 -1.068 4.342 1.00 0.00 H new ATOM 610 N LEU A 38 -7.939 -2.882 0.014 1.00 0.00 N ATOM 611 CA LEU A 38 -9.303 -3.218 -0.380 1.00 0.00 C ATOM 612 C LEU A 38 -9.373 -4.659 -0.873 1.00 0.00 C ATOM 613 O LEU A 38 -9.065 -4.946 -2.030 1.00 0.00 O ATOM 614 CB LEU A 38 -9.793 -2.265 -1.474 1.00 0.00 C ATOM 615 CG LEU A 38 -8.838 -2.092 -2.658 1.00 0.00 C ATOM 616 CD1 LEU A 38 -9.600 -2.152 -3.974 1.00 0.00 C ATOM 617 CD2 LEU A 38 -8.076 -0.779 -2.542 1.00 0.00 C ATOM 0 H LEU A 38 -7.218 -3.398 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.949 -3.113 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.750 -2.628 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.975 -1.287 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.118 -2.911 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.904 -2.027 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.099 -3.117 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.343 -1.355 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.402 -0.673 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.782 0.052 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.498 -0.774 -1.618 1.00 0.00 H new ATOM 929 N ALA A 58 -11.711 -5.358 6.604 1.00 0.00 N ATOM 930 CA ALA A 58 -10.311 -5.170 6.242 1.00 0.00 C ATOM 931 C ALA A 58 -9.411 -5.250 7.470 1.00 0.00 C ATOM 932 O ALA A 58 -8.271 -5.707 7.389 1.00 0.00 O ATOM 933 CB ALA A 58 -10.125 -3.836 5.536 1.00 0.00 C ATOM 0 HA ALA A 58 -10.026 -5.973 5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.075 -3.708 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.733 -3.815 4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.433 -3.027 6.199 1.00 0.00 H new ATOM 939 N SER A 59 -9.932 -4.803 8.608 1.00 0.00 N ATOM 940 CA SER A 59 -9.177 -4.823 9.856 1.00 0.00 C ATOM 941 C SER A 59 -8.776 -6.247 10.226 1.00 0.00 C ATOM 942 O SER A 59 -7.733 -6.470 10.840 1.00 0.00 O ATOM 943 CB SER A 59 -10.001 -4.204 10.986 1.00 0.00 C ATOM 944 OG SER A 59 -9.163 -3.660 11.989 1.00 0.00 O ATOM 0 H SER A 59 -10.875 -4.422 8.692 1.00 0.00 H new ATOM 0 HA SER A 59 -8.271 -4.234 9.712 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.646 -3.423 10.584 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.652 -4.962 11.423 1.00 0.00 H new ATOM 0 HG SER A 59 -8.702 -2.870 11.637 1.00 0.00 H new ATOM 950 N ALA A 60 -9.612 -7.209 9.849 1.00 0.00 N ATOM 951 CA ALA A 60 -9.346 -8.611 10.142 1.00 0.00 C ATOM 952 C ALA A 60 -8.459 -9.240 9.071 1.00 0.00 C ATOM 953 O ALA A 60 -7.690 -10.158 9.349 1.00 0.00 O ATOM 954 CB ALA A 60 -10.653 -9.381 10.267 1.00 0.00 C ATOM 0 H ALA A 60 -10.480 -7.042 9.340 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.814 -8.662 11.092 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.439 -10.427 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.250 -8.956 11.074 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.207 -9.312 9.331 1.00 0.00 H new ATOM 960 N PHE A 61 -8.572 -8.737 7.845 1.00 0.00 N ATOM 961 CA PHE A 61 -7.780 -9.250 6.734 1.00 0.00 C ATOM 962 C PHE A 61 -6.287 -9.087 7.008 1.00 0.00 C ATOM 963 O PHE A 61 -5.507 -10.021 6.822 1.00 0.00 O ATOM 964 CB PHE A 61 -8.152 -8.531 5.436 1.00 0.00 C ATOM 965 CG PHE A 61 -8.124 -9.423 4.227 1.00 0.00 C ATOM 966 CD1 PHE A 61 -6.925 -9.724 3.600 1.00 0.00 C ATOM 967 CD2 PHE A 61 -9.296 -9.962 3.721 1.00 0.00 C ATOM 968 CE1 PHE A 61 -6.897 -10.547 2.490 1.00 0.00 C ATOM 969 CE2 PHE A 61 -9.273 -10.783 2.610 1.00 0.00 C ATOM 970 CZ PHE A 61 -8.072 -11.076 1.994 1.00 0.00 C ATOM 0 H PHE A 61 -9.204 -7.976 7.597 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.999 -10.312 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.150 -8.104 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.464 -7.700 5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.003 -9.311 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.238 -9.738 4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.957 -10.776 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.193 -11.195 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.052 -11.718 1.126 1.00 0.00 H new ATOM 980 N THR A 62 -5.898 -7.896 7.454 1.00 0.00 N ATOM 981 CA THR A 62 -4.499 -7.614 7.758 1.00 0.00 C ATOM 982 C THR A 62 -3.967 -8.582 8.810 1.00 0.00 C ATOM 983 O THR A 62 -2.915 -9.194 8.632 1.00 0.00 O ATOM 984 CB THR A 62 -4.342 -6.173 8.245 1.00 0.00 C ATOM 985 OG1 THR A 62 -5.333 -5.859 9.207 1.00 0.00 O ATOM 986 CG2 THR A 62 -4.441 -5.151 7.133 1.00 0.00 C ATOM 0 H THR A 62 -6.531 -7.112 7.613 1.00 0.00 H new ATOM 0 HA THR A 62 -3.919 -7.745 6.844 1.00 0.00 H new ATOM 0 HB THR A 62 -3.342 -6.121 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.215 -4.934 9.508 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.321 -4.150 7.547 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.658 -5.336 6.398 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.416 -5.230 6.652 1.00 0.00 H new ATOM 994 N LYS A 63 -4.706 -8.721 9.906 1.00 0.00 N ATOM 995 CA LYS A 63 -4.313 -9.618 10.987 1.00 0.00 C ATOM 996 C LYS A 63 -4.065 -11.034 10.465 1.00 0.00 C ATOM 997 O LYS A 63 -3.365 -11.824 11.099 1.00 0.00 O ATOM 998 CB LYS A 63 -5.391 -9.643 12.073 1.00 0.00 C ATOM 999 CG LYS A 63 -4.959 -8.985 13.374 1.00 0.00 C ATOM 1000 CD LYS A 63 -6.101 -8.209 14.015 1.00 0.00 C ATOM 1001 CE LYS A 63 -7.145 -9.138 14.614 1.00 0.00 C ATOM 1002 NZ LYS A 63 -8.507 -8.863 14.078 1.00 0.00 N ATOM 0 H LYS A 63 -5.581 -8.223 10.069 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.383 -9.243 11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.283 -9.140 11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.669 -10.678 12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.602 -9.747 14.067 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.123 -8.312 13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.706 -7.556 14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.570 -7.568 13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.874 -10.172 14.403 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.152 -9.025 15.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.221 -9.240 14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.639 -7.837 13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.614 -9.321 13.150 1.00 0.00 H new ATOM 1016 N LYS A 64 -4.641 -11.348 9.308 1.00 0.00 N ATOM 1017 CA LYS A 64 -4.476 -12.666 8.708 1.00 0.00 C ATOM 1018 C LYS A 64 -3.241 -12.708 7.815 1.00 0.00 C ATOM 1019 O LYS A 64 -2.328 -13.505 8.037 1.00 0.00 O ATOM 1020 CB LYS A 64 -5.720 -13.039 7.898 1.00 0.00 C ATOM 1021 CG LYS A 64 -5.848 -14.531 7.636 1.00 0.00 C ATOM 1022 CD LYS A 64 -6.593 -14.807 6.340 1.00 0.00 C ATOM 1023 CE LYS A 64 -5.995 -15.990 5.597 1.00 0.00 C ATOM 1024 NZ LYS A 64 -4.660 -15.666 5.021 1.00 0.00 N ATOM 0 H LYS A 64 -5.225 -10.708 8.769 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.343 -13.390 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.607 -12.694 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.695 -12.512 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.856 -14.980 7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.373 -15.004 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.643 -15.005 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.560 -13.922 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.901 -16.836 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.671 -16.296 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.685 -15.799 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.419 -14.677 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.942 -16.295 5.434 1.00 0.00 H new ATOM 1038 N MET A 65 -3.222 -11.848 6.802 1.00 0.00 N ATOM 1039 CA MET A 65 -2.103 -11.788 5.870 1.00 0.00 C ATOM 1040 C MET A 65 -1.039 -10.799 6.337 1.00 0.00 C ATOM 1041 O MET A 65 0.126 -11.155 6.488 1.00 0.00 O ATOM 1042 CB MET A 65 -2.599 -11.405 4.473 1.00 0.00 C ATOM 1043 CG MET A 65 -2.677 -12.580 3.513 1.00 0.00 C ATOM 1044 SD MET A 65 -3.366 -12.122 1.910 1.00 0.00 S ATOM 1045 CE MET A 65 -4.506 -13.474 1.632 1.00 0.00 C ATOM 0 H MET A 65 -3.970 -11.183 6.606 1.00 0.00 H new ATOM 0 HA MET A 65 -1.648 -12.778 5.832 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.586 -10.950 4.559 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.935 -10.648 4.055 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.679 -12.995 3.370 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.288 -13.366 3.956 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.011 -13.333 0.676 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.957 -14.416 1.617 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.245 -13.497 2.433 1.00 0.00 H new ATOM 1055 N TRP A 66 -1.438 -9.551 6.553 1.00 0.00 N ATOM 1056 CA TRP A 66 -0.502 -8.519 6.988 1.00 0.00 C ATOM 1057 C TRP A 66 0.260 -8.940 8.246 1.00 0.00 C ATOM 1058 O TRP A 66 1.359 -8.448 8.505 1.00 0.00 O ATOM 1059 CB TRP A 66 -1.240 -7.200 7.242 1.00 0.00 C ATOM 1060 CG TRP A 66 -0.328 -6.070 7.620 1.00 0.00 C ATOM 1061 CD1 TRP A 66 0.695 -5.554 6.876 1.00 0.00 C ATOM 1062 CD2 TRP A 66 -0.359 -5.317 8.837 1.00 0.00 C ATOM 1063 NE1 TRP A 66 1.301 -4.523 7.558 1.00 0.00 N ATOM 1064 CE2 TRP A 66 0.669 -4.360 8.764 1.00 0.00 C ATOM 1065 CE3 TRP A 66 -1.162 -5.357 9.981 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 0.918 -3.453 9.791 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 -0.914 -4.458 11.000 1.00 0.00 C ATOM 1068 CH2 TRP A 66 0.118 -3.517 10.900 1.00 0.00 C ATOM 0 H TRP A 66 -2.399 -9.229 6.435 1.00 0.00 H new ATOM 0 HA TRP A 66 0.223 -8.378 6.187 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -1.795 -6.925 6.345 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.971 -7.348 8.037 1.00 0.00 H new ATOM 0 HD1 TRP A 66 0.986 -5.904 5.896 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.090 -3.971 7.222 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -1.962 -6.078 10.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.713 -2.726 9.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -1.527 -4.481 11.889 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.286 -2.828 11.714 1.00 0.00 H new ATOM 1079 N GLU A 67 -0.326 -9.840 9.028 1.00 0.00 N ATOM 1080 CA GLU A 67 0.307 -10.307 10.259 1.00 0.00 C ATOM 1081 C GLU A 67 1.106 -11.592 10.042 1.00 0.00 C ATOM 1082 O GLU A 67 2.251 -11.700 10.481 1.00 0.00 O ATOM 1083 CB GLU A 67 -0.749 -10.521 11.347 1.00 0.00 C ATOM 1084 CG GLU A 67 -0.576 -9.607 12.550 1.00 0.00 C ATOM 1085 CD GLU A 67 0.526 -10.069 13.481 1.00 0.00 C ATOM 1086 OE1 GLU A 67 1.475 -10.725 13.000 1.00 0.00 O ATOM 1087 OE2 GLU A 67 0.442 -9.779 14.693 1.00 0.00 O ATOM 0 H GLU A 67 -1.235 -10.260 8.834 1.00 0.00 H new ATOM 0 HA GLU A 67 1.008 -9.536 10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.738 -10.361 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.710 -11.558 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.355 -8.597 12.205 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.515 -9.557 13.101 1.00 0.00 H new ATOM 1094 N ASN A 68 0.493 -12.573 9.381 1.00 0.00 N ATOM 1095 CA ASN A 68 1.154 -13.854 9.133 1.00 0.00 C ATOM 1096 C ASN A 68 2.118 -13.773 7.952 1.00 0.00 C ATOM 1097 O ASN A 68 3.106 -14.505 7.897 1.00 0.00 O ATOM 1098 CB ASN A 68 0.112 -14.945 8.876 1.00 0.00 C ATOM 1099 CG ASN A 68 0.487 -16.263 9.524 1.00 0.00 C ATOM 1100 OD1 ASN A 68 0.779 -17.243 8.839 1.00 0.00 O ATOM 1101 ND2 ASN A 68 0.479 -16.293 10.852 1.00 0.00 N ATOM 0 H ASN A 68 -0.455 -12.507 9.009 1.00 0.00 H new ATOM 0 HA ASN A 68 1.732 -14.103 10.023 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.855 -14.618 9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.001 -15.090 7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.722 -17.153 11.344 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.230 -15.456 11.380 1.00 0.00 H new ATOM 1108 N ALA A 69 1.832 -12.880 7.014 1.00 0.00 N ATOM 1109 CA ALA A 69 2.679 -12.706 5.840 1.00 0.00 C ATOM 1110 C ALA A 69 3.507 -11.433 5.954 1.00 0.00 C ATOM 1111 O ALA A 69 3.100 -10.473 6.609 1.00 0.00 O ATOM 1112 CB ALA A 69 1.840 -12.688 4.571 1.00 0.00 C ATOM 0 H ALA A 69 1.019 -12.264 7.043 1.00 0.00 H new ATOM 0 HA ALA A 69 3.363 -13.553 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.491 -12.557 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.299 -13.630 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.128 -11.864 4.617 1.00 0.00 H new ATOM 1118 N LYS A 70 4.679 -11.434 5.327 1.00 0.00 N ATOM 1119 CA LYS A 70 5.570 -10.281 5.376 1.00 0.00 C ATOM 1120 C LYS A 70 5.388 -9.369 4.164 1.00 0.00 C ATOM 1121 O LYS A 70 6.027 -9.559 3.130 1.00 0.00 O ATOM 1122 CB LYS A 70 7.026 -10.745 5.466 1.00 0.00 C ATOM 1123 CG LYS A 70 7.630 -10.578 6.851 1.00 0.00 C ATOM 1124 CD LYS A 70 8.494 -9.331 6.937 1.00 0.00 C ATOM 1125 CE LYS A 70 9.057 -9.136 8.335 1.00 0.00 C ATOM 1126 NZ LYS A 70 10.040 -8.019 8.386 1.00 0.00 N ATOM 0 H LYS A 70 5.033 -12.219 4.780 1.00 0.00 H new ATOM 0 HA LYS A 70 5.314 -9.705 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.083 -11.794 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.623 -10.184 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.833 -10.521 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.230 -11.455 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.313 -9.405 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.904 -8.459 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.242 -8.934 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.537 -10.057 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.401 -7.918 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.831 -8.223 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.576 -7.135 8.096 1.00 0.00 H new ATOM 1140 N LYS A 71 4.529 -8.363 4.311 1.00 0.00 N ATOM 1141 CA LYS A 71 4.282 -7.400 3.241 1.00 0.00 C ATOM 1142 C LYS A 71 4.087 -6.011 3.831 1.00 0.00 C ATOM 1143 O LYS A 71 2.997 -5.666 4.285 1.00 0.00 O ATOM 1144 CB LYS A 71 3.040 -7.800 2.444 1.00 0.00 C ATOM 1145 CG LYS A 71 1.896 -8.295 3.309 1.00 0.00 C ATOM 1146 CD LYS A 71 1.965 -9.798 3.519 1.00 0.00 C ATOM 1147 CE LYS A 71 1.778 -10.553 2.211 1.00 0.00 C ATOM 1148 NZ LYS A 71 0.476 -11.276 2.165 1.00 0.00 N ATOM 0 H LYS A 71 3.992 -8.194 5.161 1.00 0.00 H new ATOM 0 HA LYS A 71 5.143 -7.391 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.700 -6.943 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.311 -8.580 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.924 -7.790 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.946 -8.035 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.927 -10.061 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.197 -10.103 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.834 -9.853 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.593 -11.266 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.647 -12.301 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.107 -10.992 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.021 -11.040 1.283 1.00 0.00 H new ATOM 1162 N ILE A 72 5.154 -5.221 3.838 1.00 0.00 N ATOM 1163 CA ILE A 72 5.101 -3.875 4.394 1.00 0.00 C ATOM 1164 C ILE A 72 5.919 -2.877 3.577 1.00 0.00 C ATOM 1165 O ILE A 72 7.141 -2.829 3.700 1.00 0.00 O ATOM 1166 CB ILE A 72 5.639 -3.893 5.831 1.00 0.00 C ATOM 1167 CG1 ILE A 72 5.627 -2.487 6.445 1.00 0.00 C ATOM 1168 CG2 ILE A 72 7.041 -4.478 5.824 1.00 0.00 C ATOM 1169 CD1 ILE A 72 4.581 -2.310 7.523 1.00 0.00 C ATOM 0 H ILE A 72 6.065 -5.489 3.465 1.00 0.00 H new ATOM 0 HA ILE A 72 4.059 -3.557 4.371 1.00 0.00 H new ATOM 0 HB ILE A 72 4.993 -4.515 6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.610 -2.274 6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.452 -1.756 5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.433 -4.495 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.009 -5.494 5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.688 -3.865 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.629 -1.293 7.913 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.592 -2.492 7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.768 -3.018 8.331 1.00 0.00 H new ATOM 1181 N GLU A 73 5.254 -2.058 2.779 1.00 0.00 N ATOM 1182 CA GLU A 73 5.958 -1.043 1.999 1.00 0.00 C ATOM 1183 C GLU A 73 4.988 -0.023 1.416 1.00 0.00 C ATOM 1184 O GLU A 73 3.775 -0.129 1.599 1.00 0.00 O ATOM 1185 CB GLU A 73 6.801 -1.684 0.897 1.00 0.00 C ATOM 1186 CG GLU A 73 8.274 -1.312 0.970 1.00 0.00 C ATOM 1187 CD GLU A 73 8.906 -1.164 -0.400 1.00 0.00 C ATOM 1188 OE1 GLU A 73 8.330 -0.448 -1.246 1.00 0.00 O ATOM 1189 OE2 GLU A 73 9.977 -1.767 -0.627 1.00 0.00 O ATOM 0 H GLU A 73 4.242 -2.071 2.652 1.00 0.00 H new ATOM 0 HA GLU A 73 6.631 -0.515 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.704 -2.768 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.406 -1.384 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.382 -0.377 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.810 -2.076 1.533 1.00 0.00 H new ATOM 1196 N VAL A 74 5.531 0.962 0.710 1.00 0.00 N ATOM 1197 CA VAL A 74 4.714 2.001 0.098 1.00 0.00 C ATOM 1198 C VAL A 74 4.962 2.073 -1.405 1.00 0.00 C ATOM 1199 O VAL A 74 6.040 1.721 -1.884 1.00 0.00 O ATOM 1200 CB VAL A 74 4.994 3.380 0.725 1.00 0.00 C ATOM 1201 CG1 VAL A 74 6.443 3.790 0.503 1.00 0.00 C ATOM 1202 CG2 VAL A 74 4.043 4.427 0.164 1.00 0.00 C ATOM 0 H VAL A 74 6.533 1.062 0.548 1.00 0.00 H new ATOM 0 HA VAL A 74 3.672 1.737 0.280 1.00 0.00 H new ATOM 0 HB VAL A 74 4.825 3.307 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.618 4.767 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.104 3.055 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.646 3.843 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.257 5.394 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.175 4.497 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.015 4.141 0.386 1.00 0.00 H new ATOM 1212 N GLU A 75 3.958 2.533 -2.143 1.00 0.00 N ATOM 1213 CA GLU A 75 4.069 2.652 -3.591 1.00 0.00 C ATOM 1214 C GLU A 75 4.385 4.100 -3.991 1.00 0.00 C ATOM 1215 O GLU A 75 5.426 4.631 -3.608 1.00 0.00 O ATOM 1216 CB GLU A 75 2.783 2.147 -4.255 1.00 0.00 C ATOM 1217 CG GLU A 75 2.902 1.972 -5.761 1.00 0.00 C ATOM 1218 CD GLU A 75 3.362 0.582 -6.152 1.00 0.00 C ATOM 1219 OE1 GLU A 75 3.955 -0.109 -5.297 1.00 0.00 O ATOM 1220 OE2 GLU A 75 3.128 0.183 -7.311 1.00 0.00 O ATOM 0 H GLU A 75 3.059 2.829 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 75 4.895 2.032 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.504 1.193 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.975 2.847 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.936 2.175 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.604 2.707 -6.154 1.00 0.00 H new ATOM 1227 N PHE A 76 3.498 4.741 -4.755 1.00 0.00 N ATOM 1228 CA PHE A 76 3.721 6.117 -5.180 1.00 0.00 C ATOM 1229 C PHE A 76 2.804 7.077 -4.430 1.00 0.00 C ATOM 1230 O PHE A 76 1.608 6.825 -4.289 1.00 0.00 O ATOM 1231 CB PHE A 76 3.493 6.249 -6.688 1.00 0.00 C ATOM 1232 CG PHE A 76 2.091 5.919 -7.114 1.00 0.00 C ATOM 1233 CD1 PHE A 76 1.114 6.902 -7.147 1.00 0.00 C ATOM 1234 CD2 PHE A 76 1.749 4.629 -7.482 1.00 0.00 C ATOM 1235 CE1 PHE A 76 -0.177 6.602 -7.539 1.00 0.00 C ATOM 1236 CE2 PHE A 76 0.461 4.322 -7.875 1.00 0.00 C ATOM 1237 CZ PHE A 76 -0.503 5.311 -7.903 1.00 0.00 C ATOM 0 H PHE A 76 2.626 4.330 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 76 4.754 6.378 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.727 7.268 -6.995 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.187 5.592 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.364 7.914 -6.863 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.499 3.852 -7.462 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.929 7.376 -7.560 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.208 3.311 -8.160 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.511 5.074 -8.210 1.00 0.00 H new ATOM 1247 N ASP A 77 3.374 8.178 -3.949 1.00 0.00 N ATOM 1248 CA ASP A 77 2.608 9.175 -3.213 1.00 0.00 C ATOM 1249 C ASP A 77 1.811 10.061 -4.164 1.00 0.00 C ATOM 1250 O ASP A 77 2.382 10.765 -4.998 1.00 0.00 O ATOM 1251 CB ASP A 77 3.540 10.036 -2.357 1.00 0.00 C ATOM 1252 CG ASP A 77 4.692 10.616 -3.155 1.00 0.00 C ATOM 1253 OD1 ASP A 77 4.768 10.349 -4.373 1.00 0.00 O ATOM 1254 OD2 ASP A 77 5.521 11.336 -2.562 1.00 0.00 O ATOM 0 H ASP A 77 4.364 8.401 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 77 1.909 8.650 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.968 10.848 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.936 9.434 -1.539 1.00 0.00 H new ATOM 1259 N LYS A 78 0.489 10.020 -4.036 1.00 0.00 N ATOM 1260 CA LYS A 78 -0.386 10.820 -4.886 1.00 0.00 C ATOM 1261 C LYS A 78 -0.601 12.209 -4.295 1.00 0.00 C ATOM 1262 O LYS A 78 -0.737 13.191 -5.024 1.00 0.00 O ATOM 1263 CB LYS A 78 -1.733 10.117 -5.076 1.00 0.00 C ATOM 1264 CG LYS A 78 -2.340 9.601 -3.780 1.00 0.00 C ATOM 1265 CD LYS A 78 -3.838 9.855 -3.723 1.00 0.00 C ATOM 1266 CE LYS A 78 -4.589 8.638 -3.207 1.00 0.00 C ATOM 1267 NZ LYS A 78 -6.027 8.936 -2.955 1.00 0.00 N ATOM 0 H LYS A 78 0.000 9.442 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 78 0.097 10.931 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.432 10.810 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.603 9.282 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.148 8.532 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.856 10.086 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.039 10.709 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.202 10.115 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.508 7.828 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.124 8.289 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.292 8.593 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.183 9.963 -3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.611 8.460 -3.672 1.00 0.00 H new ATOM 1281 N GLY A 79 -0.633 12.284 -2.968 1.00 0.00 N ATOM 1282 CA GLY A 79 -0.833 13.558 -2.300 1.00 0.00 C ATOM 1283 C GLY A 79 -2.123 14.235 -2.717 1.00 0.00 C ATOM 1284 O GLY A 79 -2.223 15.462 -2.698 1.00 0.00 O ATOM 0 H GLY A 79 -0.524 11.485 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.841 13.402 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.007 14.216 -2.521 1.00 0.00 H new ATOM 1288 N GLN A 80 -3.116 13.435 -3.093 1.00 0.00 N ATOM 1289 CA GLN A 80 -4.407 13.965 -3.515 1.00 0.00 C ATOM 1290 C GLN A 80 -5.368 14.060 -2.335 1.00 0.00 C ATOM 1291 O GLN A 80 -5.786 15.152 -1.951 1.00 0.00 O ATOM 1292 CB GLN A 80 -5.010 13.086 -4.611 1.00 0.00 C ATOM 1293 CG GLN A 80 -4.466 13.384 -5.999 1.00 0.00 C ATOM 1294 CD GLN A 80 -5.080 12.499 -7.068 1.00 0.00 C ATOM 1295 OE1 GLN A 80 -6.029 11.762 -6.809 1.00 0.00 O ATOM 1296 NE2 GLN A 80 -4.535 12.569 -8.276 1.00 0.00 N ATOM 0 H GLN A 80 -3.051 12.417 -3.114 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.248 14.968 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.819 12.040 -4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.092 13.219 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.657 14.429 -6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.384 13.249 -5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.748 13.196 -8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.903 11.996 -9.036 1.00 0.00 H new ATOM 1305 N ARG A 81 -5.713 12.910 -1.764 1.00 0.00 N ATOM 1306 CA ARG A 81 -6.625 12.868 -0.626 1.00 0.00 C ATOM 1307 C ARG A 81 -6.067 13.669 0.546 1.00 0.00 C ATOM 1308 O ARG A 81 -6.728 14.567 1.066 1.00 0.00 O ATOM 1309 CB ARG A 81 -6.877 11.421 -0.196 1.00 0.00 C ATOM 1310 CG ARG A 81 -8.298 11.171 0.286 1.00 0.00 C ATOM 1311 CD ARG A 81 -8.521 11.728 1.684 1.00 0.00 C ATOM 1312 NE ARG A 81 -9.771 12.477 1.781 1.00 0.00 N ATOM 1313 CZ ARG A 81 -10.082 13.270 2.804 1.00 0.00 C ATOM 1314 NH1 ARG A 81 -9.238 13.422 3.817 1.00 0.00 N ATOM 1315 NH2 ARG A 81 -11.241 13.914 2.814 1.00 0.00 N ATOM 0 H ARG A 81 -5.376 11.997 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.570 13.316 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.664 10.759 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.180 11.160 0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.004 11.630 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.501 10.100 0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.532 10.909 2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.688 12.377 1.953 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.445 12.387 1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.345 12.930 3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.483 14.031 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.894 13.802 2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.480 14.522 3.598 1.00 0.00 H new ATOM 1329 N THR A 82 -4.846 13.337 0.956 1.00 0.00 N ATOM 1330 CA THR A 82 -4.203 14.032 2.065 1.00 0.00 C ATOM 1331 C THR A 82 -3.815 15.449 1.658 1.00 0.00 C ATOM 1332 O THR A 82 -3.048 15.647 0.716 1.00 0.00 O ATOM 1333 CB THR A 82 -2.966 13.259 2.527 1.00 0.00 C ATOM 1334 OG1 THR A 82 -2.402 13.860 3.679 1.00 0.00 O ATOM 1335 CG2 THR A 82 -1.881 13.179 1.473 1.00 0.00 C ATOM 0 H THR A 82 -4.285 12.594 0.539 1.00 0.00 H new ATOM 0 HA THR A 82 -4.911 14.092 2.891 1.00 0.00 H new ATOM 0 HB THR A 82 -3.318 12.250 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.119 14.155 4.278 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.033 12.618 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.270 12.676 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.558 14.185 1.206 1.00 0.00 H new ATOM 1343 N ASP A 83 -4.349 16.431 2.376 1.00 0.00 N ATOM 1344 CA ASP A 83 -4.060 17.832 2.089 1.00 0.00 C ATOM 1345 C ASP A 83 -3.312 18.482 3.245 1.00 0.00 C ATOM 1346 O ASP A 83 -2.269 19.106 3.052 1.00 0.00 O ATOM 1347 CB ASP A 83 -5.355 18.595 1.809 1.00 0.00 C ATOM 1348 CG ASP A 83 -5.107 19.928 1.130 1.00 0.00 C ATOM 1349 OD1 ASP A 83 -4.417 19.944 0.088 1.00 0.00 O ATOM 1350 OD2 ASP A 83 -5.600 20.955 1.639 1.00 0.00 O ATOM 0 H ASP A 83 -4.984 16.283 3.161 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.425 17.871 1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.004 17.985 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.885 18.761 2.747 1.00 0.00 H new ATOM 1355 N LYS A 84 -3.855 18.331 4.449 1.00 0.00 N ATOM 1356 CA LYS A 84 -3.239 18.902 5.640 1.00 0.00 C ATOM 1357 C LYS A 84 -2.484 17.836 6.426 1.00 0.00 C ATOM 1358 O LYS A 84 -1.497 18.131 7.099 1.00 0.00 O ATOM 1359 CB LYS A 84 -4.300 19.554 6.530 1.00 0.00 C ATOM 1360 CG LYS A 84 -5.400 18.600 6.962 1.00 0.00 C ATOM 1361 CD LYS A 84 -6.432 19.299 7.836 1.00 0.00 C ATOM 1362 CE LYS A 84 -7.845 18.865 7.482 1.00 0.00 C ATOM 1363 NZ LYS A 84 -8.223 19.271 6.101 1.00 0.00 N ATOM 0 H LYS A 84 -4.719 17.819 4.625 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.528 19.664 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.817 19.964 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.747 20.392 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.889 18.184 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.964 17.764 7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.233 19.077 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.341 20.379 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.926 17.782 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.547 19.301 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.255 19.386 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.760 20.172 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.918 18.539 5.428 1.00 0.00 H new ATOM 1377 N TYR A 85 -2.950 16.594 6.331 1.00 0.00 N ATOM 1378 CA TYR A 85 -2.311 15.488 7.033 1.00 0.00 C ATOM 1379 C TYR A 85 -0.944 15.188 6.427 1.00 0.00 C ATOM 1380 O TYR A 85 -0.002 14.839 7.137 1.00 0.00 O ATOM 1381 CB TYR A 85 -3.198 14.244 6.979 1.00 0.00 C ATOM 1382 CG TYR A 85 -3.594 13.725 8.343 1.00 0.00 C ATOM 1383 CD1 TYR A 85 -2.634 13.452 9.309 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -4.929 13.510 8.664 1.00 0.00 C ATOM 1385 CE1 TYR A 85 -2.994 12.978 10.558 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -5.296 13.038 9.910 1.00 0.00 C ATOM 1387 CZ TYR A 85 -4.324 12.773 10.853 1.00 0.00 C ATOM 1388 OH TYR A 85 -4.687 12.303 12.094 1.00 0.00 O ATOM 0 H TYR A 85 -3.765 16.330 5.777 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.172 15.775 8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.099 14.475 6.411 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.673 13.457 6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.590 13.612 9.082 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.692 13.715 7.928 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.236 12.770 11.298 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.338 12.877 10.144 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.662 12.215 12.138 1.00 0.00 H new ATOM 1398 N GLY A 86 -0.841 15.337 5.109 1.00 0.00 N ATOM 1399 CA GLY A 86 0.412 15.088 4.430 1.00 0.00 C ATOM 1400 C GLY A 86 0.808 13.628 4.453 1.00 0.00 C ATOM 1401 O GLY A 86 1.989 13.301 4.335 1.00 0.00 O ATOM 0 H GLY A 86 -1.607 15.627 4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.333 15.423 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.198 15.681 4.898 1.00 0.00 H new ATOM 1405 N ARG A 87 -0.174 12.744 4.603 1.00 0.00 N ATOM 1406 CA ARG A 87 0.108 11.314 4.634 1.00 0.00 C ATOM 1407 C ARG A 87 -0.641 10.579 3.529 1.00 0.00 C ATOM 1408 O ARG A 87 -1.812 10.233 3.683 1.00 0.00 O ATOM 1409 CB ARG A 87 -0.261 10.704 5.995 1.00 0.00 C ATOM 1410 CG ARG A 87 -0.371 11.720 7.121 1.00 0.00 C ATOM 1411 CD ARG A 87 -0.117 11.082 8.478 1.00 0.00 C ATOM 1412 NE ARG A 87 1.289 11.157 8.863 1.00 0.00 N ATOM 1413 CZ ARG A 87 1.723 11.032 10.116 1.00 0.00 C ATOM 1414 NH1 ARG A 87 0.863 10.824 11.106 1.00 0.00 N ATOM 1415 NH2 ARG A 87 3.019 11.114 10.380 1.00 0.00 N ATOM 0 H ARG A 87 -1.159 12.989 4.704 1.00 0.00 H new ATOM 0 HA ARG A 87 1.180 11.196 4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.211 10.179 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.489 9.960 6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.346 12.525 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.364 12.170 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.726 11.580 9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.431 10.038 8.452 1.00 0.00 H new ATOM 0 HE ARG A 87 1.980 11.314 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.136 10.759 10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.201 10.729 12.064 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.685 11.273 9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.351 11.018 11.340 1.00 0.00 H new ATOM 1429 N GLY A 88 0.053 10.320 2.428 1.00 0.00 N ATOM 1430 CA GLY A 88 -0.554 9.596 1.326 1.00 0.00 C ATOM 1431 C GLY A 88 -0.969 8.204 1.756 1.00 0.00 C ATOM 1432 O GLY A 88 -0.128 7.391 2.134 1.00 0.00 O ATOM 0 H GLY A 88 1.023 10.597 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.424 10.143 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.151 9.530 0.497 1.00 0.00 H new ATOM 1436 N LEU A 89 -2.265 7.933 1.732 1.00 0.00 N ATOM 1437 CA LEU A 89 -2.768 6.636 2.165 1.00 0.00 C ATOM 1438 C LEU A 89 -2.554 5.551 1.115 1.00 0.00 C ATOM 1439 O LEU A 89 -3.361 5.389 0.200 1.00 0.00 O ATOM 1440 CB LEU A 89 -4.255 6.736 2.505 1.00 0.00 C ATOM 1441 CG LEU A 89 -4.621 7.854 3.485 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -5.895 8.559 3.044 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -4.778 7.297 4.892 1.00 0.00 C ATOM 0 H LEU A 89 -2.983 8.587 1.420 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.202 6.352 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.814 6.886 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.581 5.784 2.925 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.812 8.584 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.138 9.350 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.747 8.992 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.714 7.841 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.038 8.105 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.568 6.546 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.840 6.841 5.209 1.00 0.00 H new ATOM 1455 N ALA A 90 -1.479 4.784 1.283 1.00 0.00 N ATOM 1456 CA ALA A 90 -1.178 3.677 0.383 1.00 0.00 C ATOM 1457 C ALA A 90 0.023 2.876 0.879 1.00 0.00 C ATOM 1458 O ALA A 90 1.148 3.376 0.902 1.00 0.00 O ATOM 1459 CB ALA A 90 -0.929 4.194 -1.026 1.00 0.00 C ATOM 0 H ALA A 90 -0.802 4.910 2.036 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.041 3.011 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.706 3.356 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.818 4.713 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.085 4.884 -1.017 1.00 0.00 H new ATOM 1465 N TYR A 91 -0.220 1.623 1.255 1.00 0.00 N ATOM 1466 CA TYR A 91 0.845 0.747 1.731 1.00 0.00 C ATOM 1467 C TYR A 91 0.609 -0.702 1.307 1.00 0.00 C ATOM 1468 O TYR A 91 -0.091 -1.442 1.997 1.00 0.00 O ATOM 1469 CB TYR A 91 0.974 0.836 3.252 1.00 0.00 C ATOM 1470 CG TYR A 91 2.261 1.490 3.701 1.00 0.00 C ATOM 1471 CD1 TYR A 91 2.455 2.856 3.552 1.00 0.00 C ATOM 1472 CD2 TYR A 91 3.284 0.740 4.269 1.00 0.00 C ATOM 1473 CE1 TYR A 91 3.630 3.459 3.956 1.00 0.00 C ATOM 1474 CE2 TYR A 91 4.465 1.336 4.674 1.00 0.00 C ATOM 1475 CZ TYR A 91 4.631 2.695 4.516 1.00 0.00 C ATOM 1476 OH TYR A 91 5.806 3.292 4.916 1.00 0.00 O ATOM 0 H TYR A 91 -1.145 1.192 1.239 1.00 0.00 H new ATOM 0 HA TYR A 91 1.776 1.084 1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.130 1.399 3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.916 -0.167 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.674 3.458 3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.155 -0.325 4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.764 4.524 3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.252 0.740 5.111 1.00 0.00 H new ATOM 0 HH TYR A 91 5.630 4.221 5.173 1.00 0.00 H new ATOM 1486 N ILE A 92 1.192 -1.112 0.187 1.00 0.00 N ATOM 1487 CA ILE A 92 1.022 -2.486 -0.274 1.00 0.00 C ATOM 1488 C ILE A 92 2.234 -2.978 -1.061 1.00 0.00 C ATOM 1489 O ILE A 92 2.465 -2.555 -2.193 1.00 0.00 O ATOM 1490 CB ILE A 92 -0.236 -2.632 -1.152 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -0.319 -1.487 -2.164 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -1.485 -2.671 -0.284 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -1.207 -1.793 -3.351 1.00 0.00 C ATOM 0 H ILE A 92 1.776 -0.526 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 92 0.912 -3.097 0.622 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.168 -3.571 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.693 -0.595 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.684 -1.255 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.366 -2.774 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.428 -3.519 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.558 -1.747 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.219 -0.938 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.822 -2.666 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.220 -1.996 -3.005 1.00 0.00 H new ATOM 1505 N TYR A 93 2.995 -3.888 -0.457 1.00 0.00 N ATOM 1506 CA TYR A 93 4.172 -4.452 -1.102 1.00 0.00 C ATOM 1507 C TYR A 93 4.436 -5.862 -0.586 1.00 0.00 C ATOM 1508 O TYR A 93 3.833 -6.290 0.389 1.00 0.00 O ATOM 1509 CB TYR A 93 5.382 -3.558 -0.875 1.00 0.00 C ATOM 1510 CG TYR A 93 5.961 -2.985 -2.150 1.00 0.00 C ATOM 1511 CD1 TYR A 93 6.781 -3.750 -2.969 1.00 0.00 C ATOM 1512 CD2 TYR A 93 5.685 -1.679 -2.534 1.00 0.00 C ATOM 1513 CE1 TYR A 93 7.309 -3.229 -4.136 1.00 0.00 C ATOM 1514 CE2 TYR A 93 6.210 -1.150 -3.698 1.00 0.00 C ATOM 1515 CZ TYR A 93 7.022 -1.929 -4.496 1.00 0.00 C ATOM 1516 OH TYR A 93 7.545 -1.409 -5.657 1.00 0.00 O ATOM 0 H TYR A 93 2.815 -4.249 0.480 1.00 0.00 H new ATOM 0 HA TYR A 93 3.988 -4.510 -2.175 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.099 -2.739 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.154 -4.130 -0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.010 -4.768 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.049 -1.066 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.944 -3.838 -4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.986 -0.132 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 93 7.245 -0.482 -5.764 1.00 0.00 H new ATOM 1526 N ALA A 94 5.334 -6.581 -1.247 1.00 0.00 N ATOM 1527 CA ALA A 94 5.661 -7.945 -0.845 1.00 0.00 C ATOM 1528 C ALA A 94 7.147 -8.089 -0.539 1.00 0.00 C ATOM 1529 O ALA A 94 7.979 -8.101 -1.445 1.00 0.00 O ATOM 1530 CB ALA A 94 5.247 -8.928 -1.930 1.00 0.00 C ATOM 0 H ALA A 94 5.848 -6.245 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 94 5.107 -8.170 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.497 -9.942 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.172 -8.854 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.775 -8.693 -2.854 1.00 0.00 H new ATOM 1536 N ASP A 95 7.474 -8.197 0.746 1.00 0.00 N ATOM 1537 CA ASP A 95 8.861 -8.338 1.172 1.00 0.00 C ATOM 1538 C ASP A 95 9.729 -7.241 0.565 1.00 0.00 C ATOM 1539 O ASP A 95 10.934 -7.418 0.381 1.00 0.00 O ATOM 1540 CB ASP A 95 9.402 -9.712 0.774 1.00 0.00 C ATOM 1541 CG ASP A 95 10.716 -10.039 1.458 1.00 0.00 C ATOM 1542 OD1 ASP A 95 10.828 -9.786 2.676 1.00 0.00 O ATOM 1543 OD2 ASP A 95 11.631 -10.544 0.776 1.00 0.00 O ATOM 0 H ASP A 95 6.797 -8.189 1.509 1.00 0.00 H new ATOM 0 HA ASP A 95 8.894 -8.244 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.666 -10.475 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.540 -9.745 -0.307 1.00 0.00 H new ATOM 1548 N GLY A 96 9.108 -6.109 0.252 1.00 0.00 N ATOM 1549 CA GLY A 96 9.837 -5.000 -0.337 1.00 0.00 C ATOM 1550 C GLY A 96 10.115 -5.205 -1.815 1.00 0.00 C ATOM 1551 O GLY A 96 10.930 -4.495 -2.403 1.00 0.00 O ATOM 0 H GLY A 96 8.113 -5.939 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.265 -4.082 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.781 -4.868 0.192 1.00 0.00 H new