USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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: B 2 ASN : amide:sc= -3.48! C(o=-4.6!,f=-6.1!) USER MOD Set 1.2: B 7 TYR OH : rot 180:sc= -1.09! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.92 K(o=-3.9,f=-9.6!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -4.95! C(o=-6.5!,f=-4.9!) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -5.62! (180deg=-6.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= -8.21! (180deg=-8.21!) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.121) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.37 F(o=-3.1!,f=-1.4) USER MOD Single : B 1 ALA N :NH3+ -169:sc= -0.168 (180deg=-0.175) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -3.33 K(o=-3.3,f=-6.9!) USER MOD Single : B 17 LYS NZ :NH3+ -121:sc= -0.0918 (180deg=-1.18) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -127:sc= -2.36 (180deg=-3.86!) USER MOD Single : B 35 LYS NZ :NH3+ -172:sc= -0.88! (180deg=-1.17!) USER MOD Single : B 36 GLN :FLIP amide:sc= -0.834 F(o=-1.9!,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.945 0.316 -0.449 1.00 1.14 N ATOM 2 CA ALA A 1 1.676 0.584 -1.675 1.00 5.05 C ATOM 3 C ALA A 1 2.206 2.019 -1.645 1.00 1.32 C ATOM 4 O ALA A 1 1.673 2.896 -2.322 1.00 54.55 O ATOM 5 CB ALA A 1 0.769 0.323 -2.879 1.00 41.21 C ATOM 0 H1 ALA A 1 0.583 -0.659 -0.466 1.00 1.14 H new ATOM 0 H2 ALA A 1 1.579 0.435 0.367 1.00 1.14 H new ATOM 0 H3 ALA A 1 0.148 0.979 -0.368 1.00 1.14 H new ATOM 0 HA ALA A 1 2.534 -0.083 -1.763 1.00 5.05 H new ATOM 0 HB1 ALA A 1 1.318 0.524 -3.799 1.00 41.21 H new ATOM 0 HB2 ALA A 1 0.444 -0.717 -2.871 1.00 41.21 H new ATOM 0 HB3 ALA A 1 -0.102 0.976 -2.826 1.00 41.21 H new ATOM 11 N ASN A 2 3.249 2.215 -0.852 1.00 25.44 N ATOM 12 CA ASN A 2 3.857 3.528 -0.724 1.00 44.31 C ATOM 13 C ASN A 2 4.308 4.013 -2.103 1.00 54.12 C ATOM 14 O ASN A 2 4.913 3.259 -2.864 1.00 15.34 O ATOM 15 CB ASN A 2 5.087 3.481 0.185 1.00 0.11 C ATOM 16 CG ASN A 2 6.036 2.357 -0.236 1.00 3.42 C ATOM 17 OD1 ASN A 2 5.652 1.209 -0.388 1.00 1.21 O ATOM 18 ND2 ASN A 2 7.294 2.751 -0.415 1.00 22.41 N ATOM 0 H ASN A 2 3.689 1.485 -0.291 1.00 25.44 H new ATOM 0 HA ASN A 2 3.116 4.201 -0.293 1.00 44.31 H new ATOM 0 HB2 ASN A 2 5.609 4.437 0.146 1.00 0.11 H new ATOM 0 HB3 ASN A 2 4.775 3.330 1.218 1.00 0.11 H new ATOM 0 HD21 ASN A 2 8.005 2.076 -0.697 1.00 22.41 H new ATOM 0 HD22 ASN A 2 7.548 3.728 -0.271 1.00 22.41 H new ATOM 25 N GLU A 3 3.994 5.269 -2.385 1.00 50.33 N ATOM 26 CA GLU A 3 4.359 5.864 -3.660 1.00 1.33 C ATOM 27 C GLU A 3 5.789 5.475 -4.037 1.00 70.32 C ATOM 28 O GLU A 3 6.702 5.579 -3.219 1.00 14.12 O ATOM 29 CB GLU A 3 4.197 7.386 -3.622 1.00 31.43 C ATOM 30 CG GLU A 3 4.677 8.020 -4.928 1.00 43.40 C ATOM 31 CD GLU A 3 4.949 9.515 -4.744 1.00 20.12 C ATOM 32 OE1 GLU A 3 5.959 9.889 -4.129 1.00 51.22 O ATOM 33 OE2 GLU A 3 4.068 10.298 -5.265 1.00 41.43 O ATOM 0 H GLU A 3 3.491 5.891 -1.752 1.00 50.33 H new ATOM 0 HA GLU A 3 3.684 5.479 -4.425 1.00 1.33 H new ATOM 0 HB2 GLU A 3 3.151 7.640 -3.453 1.00 31.43 H new ATOM 0 HB3 GLU A 3 4.763 7.795 -2.785 1.00 31.43 H new ATOM 0 HG2 GLU A 3 5.585 7.521 -5.267 1.00 43.40 H new ATOM 0 HG3 GLU A 3 3.925 7.876 -5.704 1.00 43.40 H new ATOM 40 N GLY A 4 5.941 5.033 -5.277 1.00 74.33 N ATOM 41 CA GLY A 4 7.245 4.627 -5.773 1.00 13.00 C ATOM 42 C GLY A 4 7.400 3.106 -5.726 1.00 35.10 C ATOM 43 O GLY A 4 8.508 2.587 -5.855 1.00 14.02 O ATOM 0 H GLY A 4 5.182 4.947 -5.953 1.00 74.33 H new ATOM 0 HA2 GLY A 4 7.374 4.978 -6.797 1.00 13.00 H new ATOM 0 HA3 GLY A 4 8.027 5.095 -5.175 1.00 13.00 H new ATOM 47 N ASP A 5 6.273 2.434 -5.540 1.00 65.44 N ATOM 48 CA ASP A 5 6.271 0.982 -5.475 1.00 34.15 C ATOM 49 C ASP A 5 5.732 0.417 -6.791 1.00 20.23 C ATOM 50 O ASP A 5 4.895 1.040 -7.442 1.00 21.20 O ATOM 51 CB ASP A 5 5.369 0.484 -4.343 1.00 2.11 C ATOM 52 CG ASP A 5 6.029 0.440 -2.963 1.00 13.44 C ATOM 53 OD1 ASP A 5 6.895 1.370 -2.742 1.00 63.05 O ATOM 54 OD2 ASP A 5 5.730 -0.437 -2.139 1.00 75.42 O ATOM 0 H ASP A 5 5.356 2.868 -5.432 1.00 65.44 H new ATOM 0 HA ASP A 5 7.294 0.651 -5.295 1.00 34.15 H new ATOM 0 HB2 ASP A 5 4.491 1.127 -4.289 1.00 2.11 H new ATOM 0 HB3 ASP A 5 5.017 -0.517 -4.593 1.00 2.11 H new ATOM 59 N VAL A 6 6.235 -0.757 -7.143 1.00 62.35 N ATOM 60 CA VAL A 6 5.815 -1.413 -8.370 1.00 22.31 C ATOM 61 C VAL A 6 5.123 -2.733 -8.026 1.00 14.10 C ATOM 62 O VAL A 6 5.592 -3.480 -7.168 1.00 55.23 O ATOM 63 CB VAL A 6 7.014 -1.593 -9.304 1.00 23.30 C ATOM 64 CG1 VAL A 6 6.790 -2.762 -10.266 1.00 12.35 C ATOM 65 CG2 VAL A 6 7.311 -0.302 -10.069 1.00 22.32 C ATOM 0 H VAL A 6 6.929 -1.271 -6.600 1.00 62.35 H new ATOM 0 HA VAL A 6 5.093 -0.796 -8.905 1.00 22.31 H new ATOM 0 HB VAL A 6 7.884 -1.827 -8.691 1.00 23.30 H new ATOM 0 HG11 VAL A 6 7.657 -2.868 -10.918 1.00 12.35 H new ATOM 0 HG12 VAL A 6 6.651 -3.681 -9.696 1.00 12.35 H new ATOM 0 HG13 VAL A 6 5.903 -2.571 -10.870 1.00 12.35 H new ATOM 0 HG21 VAL A 6 8.167 -0.457 -10.725 1.00 22.32 H new ATOM 0 HG22 VAL A 6 6.442 -0.024 -10.665 1.00 22.32 H new ATOM 0 HG23 VAL A 6 7.536 0.496 -9.362 1.00 22.32 H new ATOM 75 N TYR A 7 4.017 -2.981 -8.713 1.00 70.23 N ATOM 76 CA TYR A 7 3.255 -4.197 -8.491 1.00 60.31 C ATOM 77 C TYR A 7 3.057 -4.968 -9.799 1.00 41.10 C ATOM 78 O TYR A 7 2.734 -4.377 -10.828 1.00 71.32 O ATOM 79 CB TYR A 7 1.889 -3.750 -7.966 1.00 24.31 C ATOM 80 CG TYR A 7 1.845 -3.537 -6.451 1.00 34.32 C ATOM 81 CD1 TYR A 7 2.645 -2.577 -5.865 1.00 73.33 C ATOM 82 CD2 TYR A 7 1.004 -4.305 -5.670 1.00 62.24 C ATOM 83 CE1 TYR A 7 2.603 -2.378 -4.440 1.00 31.00 C ATOM 84 CE2 TYR A 7 0.962 -4.106 -4.245 1.00 44.01 C ATOM 85 CZ TYR A 7 1.764 -3.151 -3.700 1.00 12.01 C ATOM 86 OH TYR A 7 1.724 -2.962 -2.354 1.00 72.01 O ATOM 0 H TYR A 7 3.631 -2.360 -9.424 1.00 70.23 H new ATOM 0 HA TYR A 7 3.777 -4.854 -7.795 1.00 60.31 H new ATOM 0 HB2 TYR A 7 1.607 -2.821 -8.462 1.00 24.31 H new ATOM 0 HB3 TYR A 7 1.144 -4.497 -8.240 1.00 24.31 H new ATOM 0 HD1 TYR A 7 3.302 -1.975 -6.475 1.00 73.33 H new ATOM 0 HD2 TYR A 7 0.377 -5.055 -6.129 1.00 62.24 H new ATOM 0 HE1 TYR A 7 3.224 -1.631 -3.969 1.00 31.00 H new ATOM 0 HE2 TYR A 7 0.309 -4.701 -3.623 1.00 44.01 H new ATOM 0 HH TYR A 7 1.080 -3.583 -1.955 1.00 72.01 H new ATOM 96 N LYS A 8 3.261 -6.274 -9.716 1.00 13.42 N ATOM 97 CA LYS A 8 3.109 -7.130 -10.879 1.00 71.44 C ATOM 98 C LYS A 8 1.839 -7.971 -10.727 1.00 3.53 C ATOM 99 O LYS A 8 1.300 -8.094 -9.628 1.00 14.02 O ATOM 100 CB LYS A 8 4.373 -7.962 -11.100 1.00 65.43 C ATOM 101 CG LYS A 8 4.495 -8.396 -12.563 1.00 31.44 C ATOM 102 CD LYS A 8 5.874 -8.996 -12.844 1.00 2.31 C ATOM 103 CE LYS A 8 6.049 -9.295 -14.334 1.00 24.21 C ATOM 104 NZ LYS A 8 7.479 -9.239 -14.710 1.00 64.03 N ATOM 0 H LYS A 8 3.530 -6.760 -8.861 1.00 13.42 H new ATOM 0 HA LYS A 8 2.988 -6.529 -11.780 1.00 71.44 H new ATOM 0 HB2 LYS A 8 5.250 -7.381 -10.815 1.00 65.43 H new ATOM 0 HB3 LYS A 8 4.351 -8.842 -10.457 1.00 65.43 H new ATOM 0 HG2 LYS A 8 3.722 -9.129 -12.794 1.00 31.44 H new ATOM 0 HG3 LYS A 8 4.328 -7.539 -13.215 1.00 31.44 H new ATOM 0 HD2 LYS A 8 6.649 -8.304 -12.515 1.00 2.31 H new ATOM 0 HD3 LYS A 8 6.000 -9.913 -12.268 1.00 2.31 H new ATOM 0 HE2 LYS A 8 5.645 -10.281 -14.563 1.00 24.21 H new ATOM 0 HE3 LYS A 8 5.483 -8.574 -14.924 1.00 24.21 H new ATOM 0 HZ1 LYS A 8 7.579 -9.444 -15.725 1.00 64.03 H new ATOM 0 HZ2 LYS A 8 7.854 -8.290 -14.510 1.00 64.03 H new ATOM 0 HZ3 LYS A 8 8.010 -9.944 -14.160 1.00 64.03 H new ATOM 117 N CYS A 9 1.399 -8.527 -11.846 1.00 75.12 N ATOM 118 CA CYS A 9 0.202 -9.352 -11.850 1.00 63.32 C ATOM 119 C CYS A 9 0.592 -10.766 -11.414 1.00 54.10 C ATOM 120 O CYS A 9 -0.242 -11.514 -10.906 1.00 2.21 O ATOM 121 CB CYS A 9 -0.484 -9.346 -13.219 1.00 32.14 C ATOM 122 SG CYS A 9 -1.962 -10.420 -13.340 1.00 12.21 S ATOM 0 H CYS A 9 1.849 -8.423 -12.755 1.00 75.12 H new ATOM 0 HA CYS A 9 -0.527 -8.944 -11.149 1.00 63.32 H new ATOM 0 HB2 CYS A 9 -0.774 -8.323 -13.460 1.00 32.14 H new ATOM 0 HB3 CYS A 9 0.238 -9.659 -13.973 1.00 32.14 H new ATOM 127 N GLU A 10 1.859 -11.088 -11.627 1.00 33.24 N ATOM 128 CA GLU A 10 2.369 -12.399 -11.261 1.00 60.11 C ATOM 129 C GLU A 10 1.690 -13.484 -12.098 1.00 20.30 C ATOM 130 O GLU A 10 1.863 -14.674 -11.835 1.00 42.10 O ATOM 131 CB GLU A 10 2.183 -12.662 -9.765 1.00 63.22 C ATOM 132 CG GLU A 10 3.323 -12.042 -8.954 1.00 20.11 C ATOM 133 CD GLU A 10 4.507 -13.005 -8.848 1.00 31.43 C ATOM 134 OE1 GLU A 10 4.550 -13.836 -7.927 1.00 71.14 O ATOM 135 OE2 GLU A 10 5.404 -12.870 -9.764 1.00 50.02 O ATOM 0 H GLU A 10 2.548 -10.464 -12.048 1.00 33.24 H new ATOM 0 HA GLU A 10 3.439 -12.423 -11.469 1.00 60.11 H new ATOM 0 HB2 GLU A 10 1.230 -12.248 -9.435 1.00 63.22 H new ATOM 0 HB3 GLU A 10 2.144 -13.736 -9.583 1.00 63.22 H new ATOM 0 HG2 GLU A 10 3.646 -11.113 -9.425 1.00 20.11 H new ATOM 0 HG3 GLU A 10 2.967 -11.786 -7.956 1.00 20.11 H new ATOM 142 N LEU A 11 0.932 -13.037 -13.088 1.00 35.54 N ATOM 143 CA LEU A 11 0.225 -13.956 -13.964 1.00 44.35 C ATOM 144 C LEU A 11 0.508 -13.582 -15.421 1.00 34.30 C ATOM 145 O LEU A 11 1.431 -14.115 -16.035 1.00 34.00 O ATOM 146 CB LEU A 11 -1.264 -13.992 -13.615 1.00 23.22 C ATOM 147 CG LEU A 11 -1.631 -14.718 -12.320 1.00 34.11 C ATOM 148 CD1 LEU A 11 -3.137 -14.645 -12.059 1.00 53.20 C ATOM 149 CD2 LEU A 11 -1.121 -16.160 -12.335 1.00 70.05 C ATOM 0 H LEU A 11 0.792 -12.050 -13.303 1.00 35.54 H new ATOM 0 HA LEU A 11 0.585 -14.974 -13.820 1.00 44.35 H new ATOM 0 HB2 LEU A 11 -1.626 -12.966 -13.548 1.00 23.22 H new ATOM 0 HB3 LEU A 11 -1.799 -14.466 -14.438 1.00 23.22 H new ATOM 0 HG LEU A 11 -1.135 -14.211 -11.492 1.00 34.11 H new ATOM 0 HD11 LEU A 11 -3.371 -15.169 -11.132 1.00 53.20 H new ATOM 0 HD12 LEU A 11 -3.441 -13.602 -11.973 1.00 53.20 H new ATOM 0 HD13 LEU A 11 -3.673 -15.112 -12.885 1.00 53.20 H new ATOM 0 HD21 LEU A 11 -1.396 -16.653 -11.402 1.00 70.05 H new ATOM 0 HD22 LEU A 11 -1.567 -16.695 -13.173 1.00 70.05 H new ATOM 0 HD23 LEU A 11 -0.036 -16.161 -12.440 1.00 70.05 H new ATOM 161 N CYS A 12 -0.305 -12.668 -15.931 1.00 61.34 N ATOM 162 CA CYS A 12 -0.155 -12.217 -17.304 1.00 73.12 C ATOM 163 C CYS A 12 1.248 -11.629 -17.466 1.00 41.31 C ATOM 164 O CYS A 12 1.821 -11.670 -18.554 1.00 23.12 O ATOM 165 CB CYS A 12 -1.244 -11.214 -17.693 1.00 22.22 C ATOM 166 SG CYS A 12 -1.212 -9.645 -16.751 1.00 63.03 S ATOM 0 H CYS A 12 -1.069 -12.228 -15.418 1.00 61.34 H new ATOM 0 HA CYS A 12 -0.274 -13.062 -17.982 1.00 73.12 H new ATOM 0 HB2 CYS A 12 -1.147 -10.986 -18.755 1.00 22.22 H new ATOM 0 HB3 CYS A 12 -2.218 -11.684 -17.556 1.00 22.22 H new ATOM 171 N GLY A 13 1.760 -11.093 -16.368 1.00 30.31 N ATOM 172 CA GLY A 13 3.086 -10.497 -16.374 1.00 74.10 C ATOM 173 C GLY A 13 3.003 -8.980 -16.558 1.00 32.13 C ATOM 174 O GLY A 13 3.864 -8.381 -17.201 1.00 75.41 O ATOM 0 H GLY A 13 1.281 -11.059 -15.468 1.00 30.31 H new ATOM 0 HA2 GLY A 13 3.596 -10.726 -15.438 1.00 74.10 H new ATOM 0 HA3 GLY A 13 3.681 -10.933 -17.177 1.00 74.10 H new ATOM 178 N GLN A 14 1.960 -8.402 -15.980 1.00 35.13 N ATOM 179 CA GLN A 14 1.753 -6.967 -16.072 1.00 3.45 C ATOM 180 C GLN A 14 2.429 -6.258 -14.896 1.00 11.40 C ATOM 181 O GLN A 14 2.261 -6.659 -13.745 1.00 51.21 O ATOM 182 CB GLN A 14 0.262 -6.630 -16.133 1.00 30.32 C ATOM 183 CG GLN A 14 0.041 -5.116 -16.115 1.00 12.32 C ATOM 184 CD GLN A 14 -1.073 -4.736 -15.137 1.00 21.22 C ATOM 185 OE1 GLN A 14 -2.290 -5.093 -15.538 1.00 42.34 O flip ATOM 186 NE2 GLN A 14 -0.843 -4.158 -14.087 1.00 64.53 N flip ATOM 0 H GLN A 14 1.249 -8.902 -15.446 1.00 35.13 H new ATOM 0 HA GLN A 14 2.209 -6.612 -16.996 1.00 3.45 H new ATOM 0 HB2 GLN A 14 -0.174 -7.054 -17.038 1.00 30.32 H new ATOM 0 HB3 GLN A 14 -0.253 -7.086 -15.287 1.00 30.32 H new ATOM 0 HG2 GLN A 14 0.966 -4.613 -15.832 1.00 12.32 H new ATOM 0 HG3 GLN A 14 -0.216 -4.770 -17.116 1.00 12.32 H new ATOM 0 HE21 GLN A 14 0.116 -3.913 -13.839 1.00 64.53 H new ATOM 0 HE22 GLN A 14 -1.609 -3.920 -13.457 1.00 64.53 H new ATOM 195 N VAL A 15 3.177 -5.216 -15.226 1.00 53.51 N ATOM 196 CA VAL A 15 3.879 -4.447 -14.213 1.00 14.54 C ATOM 197 C VAL A 15 3.365 -3.005 -14.226 1.00 70.21 C ATOM 198 O VAL A 15 3.256 -2.391 -15.286 1.00 43.00 O ATOM 199 CB VAL A 15 5.389 -4.545 -14.433 1.00 32.44 C ATOM 200 CG1 VAL A 15 6.154 -3.848 -13.306 1.00 2.12 C ATOM 201 CG2 VAL A 15 5.829 -6.004 -14.572 1.00 11.11 C ATOM 0 H VAL A 15 3.312 -4.886 -16.182 1.00 53.51 H new ATOM 0 HA VAL A 15 3.682 -4.854 -13.221 1.00 14.54 H new ATOM 0 HB VAL A 15 5.625 -4.033 -15.366 1.00 32.44 H new ATOM 0 HG11 VAL A 15 7.226 -3.933 -13.487 1.00 2.12 H new ATOM 0 HG12 VAL A 15 5.874 -2.795 -13.273 1.00 2.12 H new ATOM 0 HG13 VAL A 15 5.909 -4.319 -12.354 1.00 2.12 H new ATOM 0 HG21 VAL A 15 6.907 -6.046 -14.728 1.00 11.11 H new ATOM 0 HG22 VAL A 15 5.572 -6.550 -13.664 1.00 11.11 H new ATOM 0 HG23 VAL A 15 5.322 -6.457 -15.424 1.00 11.11 H new ATOM 211 N VAL A 16 3.063 -2.507 -13.036 1.00 22.22 N ATOM 212 CA VAL A 16 2.565 -1.150 -12.897 1.00 52.12 C ATOM 213 C VAL A 16 3.193 -0.503 -11.661 1.00 62.12 C ATOM 214 O VAL A 16 3.748 -1.195 -10.809 1.00 4.31 O ATOM 215 CB VAL A 16 1.035 -1.156 -12.856 1.00 12.42 C ATOM 216 CG1 VAL A 16 0.451 -1.493 -14.229 1.00 51.52 C ATOM 217 CG2 VAL A 16 0.519 -2.124 -11.789 1.00 4.33 C ATOM 0 H VAL A 16 3.154 -3.020 -12.159 1.00 22.22 H new ATOM 0 HA VAL A 16 2.852 -0.548 -13.759 1.00 52.12 H new ATOM 0 HB VAL A 16 0.703 -0.153 -12.588 1.00 12.42 H new ATOM 0 HG11 VAL A 16 -0.638 -1.491 -14.172 1.00 51.52 H new ATOM 0 HG12 VAL A 16 0.778 -0.749 -14.956 1.00 51.52 H new ATOM 0 HG13 VAL A 16 0.796 -2.479 -14.539 1.00 51.52 H new ATOM 0 HG21 VAL A 16 -0.571 -2.109 -11.781 1.00 4.33 H new ATOM 0 HG22 VAL A 16 0.866 -3.132 -12.014 1.00 4.33 H new ATOM 0 HG23 VAL A 16 0.893 -1.821 -10.811 1.00 4.33 H new ATOM 227 N LYS A 17 3.086 0.817 -11.604 1.00 23.54 N ATOM 228 CA LYS A 17 3.637 1.563 -10.487 1.00 0.25 C ATOM 229 C LYS A 17 2.501 2.254 -9.730 1.00 31.14 C ATOM 230 O LYS A 17 1.461 2.562 -10.310 1.00 40.25 O ATOM 231 CB LYS A 17 4.726 2.523 -10.968 1.00 43.15 C ATOM 232 CG LYS A 17 5.540 3.066 -9.792 1.00 21.41 C ATOM 233 CD LYS A 17 5.909 4.534 -10.011 1.00 42.24 C ATOM 234 CE LYS A 17 4.739 5.453 -9.654 1.00 63.41 C ATOM 235 NZ LYS A 17 4.290 6.207 -10.846 1.00 12.24 N ATOM 0 H LYS A 17 2.626 1.388 -12.313 1.00 23.54 H new ATOM 0 HA LYS A 17 4.126 0.888 -9.784 1.00 0.25 H new ATOM 0 HB2 LYS A 17 5.387 2.008 -11.665 1.00 43.15 H new ATOM 0 HB3 LYS A 17 4.271 3.351 -11.512 1.00 43.15 H new ATOM 0 HG2 LYS A 17 4.966 2.965 -8.871 1.00 21.41 H new ATOM 0 HG3 LYS A 17 6.447 2.474 -9.669 1.00 21.41 H new ATOM 0 HD2 LYS A 17 6.776 4.790 -9.402 1.00 42.24 H new ATOM 0 HD3 LYS A 17 6.194 4.690 -11.052 1.00 42.24 H new ATOM 0 HE2 LYS A 17 3.913 4.863 -9.257 1.00 63.41 H new ATOM 0 HE3 LYS A 17 5.040 6.147 -8.869 1.00 63.41 H new ATOM 0 HZ1 LYS A 17 3.629 6.955 -10.555 1.00 12.24 H new ATOM 0 HZ2 LYS A 17 5.113 6.636 -11.316 1.00 12.24 H new ATOM 0 HZ3 LYS A 17 3.813 5.561 -11.506 1.00 12.24 H new ATOM 248 N VAL A 18 2.737 2.476 -8.446 1.00 12.25 N ATOM 249 CA VAL A 18 1.746 3.125 -7.603 1.00 60.52 C ATOM 250 C VAL A 18 2.129 4.594 -7.411 1.00 54.30 C ATOM 251 O VAL A 18 2.775 4.948 -6.427 1.00 35.53 O ATOM 252 CB VAL A 18 1.605 2.367 -6.282 1.00 23.15 C ATOM 253 CG1 VAL A 18 0.970 3.250 -5.207 1.00 1.44 C ATOM 254 CG2 VAL A 18 0.806 1.076 -6.473 1.00 1.20 C ATOM 0 H VAL A 18 3.600 2.218 -7.968 1.00 12.25 H new ATOM 0 HA VAL A 18 0.766 3.104 -8.081 1.00 60.52 H new ATOM 0 HB VAL A 18 2.605 2.096 -5.944 1.00 23.15 H new ATOM 0 HG11 VAL A 18 0.882 2.686 -4.278 1.00 1.44 H new ATOM 0 HG12 VAL A 18 1.595 4.127 -5.041 1.00 1.44 H new ATOM 0 HG13 VAL A 18 -0.020 3.567 -5.535 1.00 1.44 H new ATOM 0 HG21 VAL A 18 0.721 0.556 -5.519 1.00 1.20 H new ATOM 0 HG22 VAL A 18 -0.190 1.316 -6.846 1.00 1.20 H new ATOM 0 HG23 VAL A 18 1.317 0.435 -7.191 1.00 1.20 H new ATOM 264 N LEU A 19 1.713 5.410 -8.369 1.00 1.21 N ATOM 265 CA LEU A 19 2.003 6.833 -8.318 1.00 64.02 C ATOM 266 C LEU A 19 1.291 7.452 -7.114 1.00 61.20 C ATOM 267 O LEU A 19 1.871 8.265 -6.396 1.00 11.11 O ATOM 268 CB LEU A 19 1.652 7.500 -9.649 1.00 62.53 C ATOM 269 CG LEU A 19 2.055 8.969 -9.790 1.00 74.34 C ATOM 270 CD1 LEU A 19 1.220 9.857 -8.864 1.00 72.15 C ATOM 271 CD2 LEU A 19 3.556 9.151 -9.559 1.00 4.40 C ATOM 0 H LEU A 19 1.178 5.113 -9.185 1.00 1.21 H new ATOM 0 HA LEU A 19 3.071 6.998 -8.177 1.00 64.02 H new ATOM 0 HB2 LEU A 19 2.126 6.935 -10.452 1.00 62.53 H new ATOM 0 HB3 LEU A 19 0.575 7.423 -9.798 1.00 62.53 H new ATOM 0 HG LEU A 19 1.847 9.284 -10.813 1.00 74.34 H new ATOM 0 HD11 LEU A 19 1.526 10.896 -8.983 1.00 72.15 H new ATOM 0 HD12 LEU A 19 0.165 9.758 -9.119 1.00 72.15 H new ATOM 0 HD13 LEU A 19 1.374 9.550 -7.829 1.00 72.15 H new ATOM 0 HD21 LEU A 19 3.815 10.204 -9.665 1.00 4.40 H new ATOM 0 HD22 LEU A 19 3.813 8.813 -8.555 1.00 4.40 H new ATOM 0 HD23 LEU A 19 4.111 8.565 -10.292 1.00 4.40 H new ATOM 283 N GLU A 20 0.045 7.043 -6.930 1.00 32.14 N ATOM 284 CA GLU A 20 -0.753 7.547 -5.824 1.00 61.12 C ATOM 285 C GLU A 20 -1.650 6.439 -5.269 1.00 24.05 C ATOM 286 O GLU A 20 -2.622 6.041 -5.909 1.00 10.31 O ATOM 287 CB GLU A 20 -1.582 8.759 -6.255 1.00 22.22 C ATOM 288 CG GLU A 20 -0.882 10.065 -5.875 1.00 52.14 C ATOM 289 CD GLU A 20 -1.000 11.096 -6.999 1.00 4.53 C ATOM 290 OE1 GLU A 20 -1.221 10.725 -8.161 1.00 23.11 O ATOM 291 OE2 GLU A 20 -0.852 12.324 -6.630 1.00 34.42 O ATOM 0 H GLU A 20 -0.432 6.368 -7.528 1.00 32.14 H new ATOM 0 HA GLU A 20 -0.078 7.872 -5.032 1.00 61.12 H new ATOM 0 HB2 GLU A 20 -1.744 8.729 -7.333 1.00 22.22 H new ATOM 0 HB3 GLU A 20 -2.564 8.718 -5.784 1.00 22.22 H new ATOM 0 HG2 GLU A 20 -1.322 10.465 -4.962 1.00 52.14 H new ATOM 0 HG3 GLU A 20 0.169 9.870 -5.664 1.00 52.14 H new ATOM 298 N GLU A 21 -1.291 5.971 -4.082 1.00 5.14 N ATOM 299 CA GLU A 21 -2.051 4.917 -3.432 1.00 21.42 C ATOM 300 C GLU A 21 -3.531 5.299 -3.357 1.00 24.24 C ATOM 301 O GLU A 21 -3.871 6.480 -3.355 1.00 71.13 O ATOM 302 CB GLU A 21 -1.491 4.616 -2.040 1.00 63.34 C ATOM 303 CG GLU A 21 -1.678 5.811 -1.103 1.00 20.43 C ATOM 304 CD GLU A 21 -0.597 5.831 -0.020 1.00 41.34 C ATOM 305 OE1 GLU A 21 0.597 5.938 -0.338 1.00 15.55 O ATOM 306 OE2 GLU A 21 -1.035 5.734 1.189 1.00 74.11 O ATOM 0 H GLU A 21 -0.484 6.303 -3.554 1.00 5.14 H new ATOM 0 HA GLU A 21 -1.960 4.009 -4.028 1.00 21.42 H new ATOM 0 HB2 GLU A 21 -1.992 3.742 -1.624 1.00 63.34 H new ATOM 0 HB3 GLU A 21 -0.432 4.371 -2.116 1.00 63.34 H new ATOM 0 HG2 GLU A 21 -1.641 6.737 -1.677 1.00 20.43 H new ATOM 0 HG3 GLU A 21 -2.663 5.763 -0.638 1.00 20.43 H new ATOM 313 N GLY A 22 -4.370 4.275 -3.295 1.00 2.32 N ATOM 314 CA GLY A 22 -5.805 4.488 -3.220 1.00 11.05 C ATOM 315 C GLY A 22 -6.392 3.833 -1.967 1.00 41.43 C ATOM 316 O GLY A 22 -5.766 3.840 -0.908 1.00 70.14 O ATOM 0 H GLY A 22 -4.083 3.296 -3.295 1.00 2.32 H new ATOM 0 HA2 GLY A 22 -6.018 5.557 -3.209 1.00 11.05 H new ATOM 0 HA3 GLY A 22 -6.284 4.077 -4.108 1.00 11.05 H new ATOM 320 N GLY A 23 -7.587 3.285 -2.129 1.00 24.22 N ATOM 321 CA GLY A 23 -8.265 2.628 -1.025 1.00 22.52 C ATOM 322 C GLY A 23 -8.375 1.121 -1.268 1.00 74.32 C ATOM 323 O GLY A 23 -8.164 0.324 -0.355 1.00 51.15 O ATOM 0 H GLY A 23 -8.103 3.283 -3.009 1.00 24.22 H new ATOM 0 HA2 GLY A 23 -7.721 2.812 -0.098 1.00 22.52 H new ATOM 0 HA3 GLY A 23 -9.261 3.054 -0.900 1.00 22.52 H new ATOM 327 N GLY A 24 -8.707 0.776 -2.504 1.00 45.12 N ATOM 328 CA GLY A 24 -8.848 -0.621 -2.879 1.00 5.25 C ATOM 329 C GLY A 24 -7.491 -1.234 -3.233 1.00 3.42 C ATOM 330 O GLY A 24 -6.451 -0.614 -3.015 1.00 62.43 O ATOM 0 H GLY A 24 -8.882 1.440 -3.258 1.00 45.12 H new ATOM 0 HA2 GLY A 24 -9.299 -1.178 -2.058 1.00 5.25 H new ATOM 0 HA3 GLY A 24 -9.523 -0.706 -3.731 1.00 5.25 H new ATOM 334 N THR A 25 -7.546 -2.442 -3.773 1.00 54.01 N ATOM 335 CA THR A 25 -6.335 -3.145 -4.159 1.00 44.14 C ATOM 336 C THR A 25 -6.304 -3.362 -5.674 1.00 32.12 C ATOM 337 O THR A 25 -7.344 -3.576 -6.295 1.00 13.03 O ATOM 338 CB THR A 25 -6.267 -4.446 -3.357 1.00 72.44 C ATOM 339 OG1 THR A 25 -5.530 -4.096 -2.189 1.00 72.51 O ATOM 340 CG2 THR A 25 -5.404 -5.510 -4.038 1.00 42.24 C ATOM 0 H THR A 25 -8.411 -2.952 -3.952 1.00 54.01 H new ATOM 0 HA THR A 25 -5.446 -2.558 -3.928 1.00 44.14 H new ATOM 0 HB THR A 25 -7.275 -4.835 -3.212 1.00 72.44 H new ATOM 0 HG1 THR A 25 -5.440 -4.882 -1.611 1.00 72.51 H new ATOM 0 HG21 THR A 25 -5.390 -6.413 -3.427 1.00 42.24 H new ATOM 0 HG22 THR A 25 -5.819 -5.742 -5.019 1.00 42.24 H new ATOM 0 HG23 THR A 25 -4.387 -5.134 -4.154 1.00 42.24 H new ATOM 348 N LEU A 26 -5.100 -3.300 -6.224 1.00 75.34 N ATOM 349 CA LEU A 26 -4.921 -3.488 -7.654 1.00 34.12 C ATOM 350 C LEU A 26 -5.179 -4.954 -8.008 1.00 15.03 C ATOM 351 O LEU A 26 -4.562 -5.852 -7.438 1.00 74.14 O ATOM 352 CB LEU A 26 -3.545 -2.983 -8.091 1.00 43.14 C ATOM 353 CG LEU A 26 -3.108 -1.638 -7.509 1.00 43.34 C ATOM 354 CD1 LEU A 26 -1.604 -1.422 -7.694 1.00 31.41 C ATOM 355 CD2 LEU A 26 -3.928 -0.491 -8.104 1.00 43.54 C ATOM 0 H LEU A 26 -4.240 -3.122 -5.706 1.00 75.34 H new ATOM 0 HA LEU A 26 -5.646 -2.894 -8.211 1.00 34.12 H new ATOM 0 HB2 LEU A 26 -2.802 -3.733 -7.819 1.00 43.14 H new ATOM 0 HB3 LEU A 26 -3.537 -2.906 -9.178 1.00 43.14 H new ATOM 0 HG LEU A 26 -3.302 -1.651 -6.436 1.00 43.34 H new ATOM 0 HD11 LEU A 26 -1.320 -0.458 -7.271 1.00 31.41 H new ATOM 0 HD12 LEU A 26 -1.057 -2.216 -7.186 1.00 31.41 H new ATOM 0 HD13 LEU A 26 -1.362 -1.437 -8.757 1.00 31.41 H new ATOM 0 HD21 LEU A 26 -3.597 0.454 -7.673 1.00 43.54 H new ATOM 0 HD22 LEU A 26 -3.788 -0.466 -9.185 1.00 43.54 H new ATOM 0 HD23 LEU A 26 -4.983 -0.643 -7.878 1.00 43.54 H new ATOM 367 N VAL A 27 -6.093 -5.150 -8.948 1.00 11.12 N ATOM 368 CA VAL A 27 -6.441 -6.491 -9.384 1.00 52.05 C ATOM 369 C VAL A 27 -6.130 -6.634 -10.875 1.00 41.44 C ATOM 370 O VAL A 27 -6.206 -5.661 -11.625 1.00 32.12 O ATOM 371 CB VAL A 27 -7.904 -6.788 -9.048 1.00 72.15 C ATOM 372 CG1 VAL A 27 -8.436 -7.947 -9.894 1.00 21.25 C ATOM 373 CG2 VAL A 27 -8.076 -7.074 -7.555 1.00 20.25 C ATOM 0 H VAL A 27 -6.602 -4.402 -9.419 1.00 11.12 H new ATOM 0 HA VAL A 27 -5.843 -7.232 -8.854 1.00 52.05 H new ATOM 0 HB VAL A 27 -8.490 -5.901 -9.289 1.00 72.15 H new ATOM 0 HG11 VAL A 27 -9.478 -8.138 -9.636 1.00 21.25 H new ATOM 0 HG12 VAL A 27 -8.366 -7.689 -10.951 1.00 21.25 H new ATOM 0 HG13 VAL A 27 -7.844 -8.841 -9.699 1.00 21.25 H new ATOM 0 HG21 VAL A 27 -9.125 -7.282 -7.343 1.00 20.25 H new ATOM 0 HG22 VAL A 27 -7.472 -7.938 -7.278 1.00 20.25 H new ATOM 0 HG23 VAL A 27 -7.754 -6.206 -6.979 1.00 20.25 H new ATOM 383 N CYS A 28 -5.784 -7.854 -11.262 1.00 55.50 N ATOM 384 CA CYS A 28 -5.462 -8.136 -12.650 1.00 24.24 C ATOM 385 C CYS A 28 -5.670 -9.631 -12.897 1.00 72.43 C ATOM 386 O CYS A 28 -5.173 -10.464 -12.140 1.00 31.52 O ATOM 387 CB CYS A 28 -4.040 -7.692 -13.002 1.00 33.03 C ATOM 388 SG CYS A 28 -3.677 -7.627 -14.794 1.00 71.52 S ATOM 0 H CYS A 28 -5.720 -8.658 -10.638 1.00 55.50 H new ATOM 0 HA CYS A 28 -6.123 -7.565 -13.303 1.00 24.24 H new ATOM 0 HB2 CYS A 28 -3.867 -6.704 -12.575 1.00 33.03 H new ATOM 0 HB3 CYS A 28 -3.334 -8.373 -12.527 1.00 33.03 H new ATOM 393 N CYS A 29 -6.405 -9.926 -13.959 1.00 22.33 N ATOM 394 CA CYS A 29 -6.685 -11.307 -14.316 1.00 11.14 C ATOM 395 C CYS A 29 -7.392 -11.974 -13.134 1.00 44.23 C ATOM 396 O CYS A 29 -7.078 -13.109 -12.779 1.00 51.41 O ATOM 397 CB CYS A 29 -5.413 -12.056 -14.717 1.00 22.34 C ATOM 398 SG CYS A 29 -4.480 -11.302 -16.099 1.00 22.34 S ATOM 0 H CYS A 29 -6.815 -9.232 -14.584 1.00 22.33 H new ATOM 0 HA CYS A 29 -7.335 -11.335 -15.190 1.00 11.14 H new ATOM 0 HB2 CYS A 29 -4.758 -12.121 -13.848 1.00 22.34 H new ATOM 0 HB3 CYS A 29 -5.681 -13.076 -14.992 1.00 22.34 H new ATOM 403 N GLY A 30 -8.333 -11.240 -12.558 1.00 23.44 N ATOM 404 CA GLY A 30 -9.087 -11.747 -11.424 1.00 30.01 C ATOM 405 C GLY A 30 -8.153 -12.172 -10.289 1.00 71.12 C ATOM 406 O GLY A 30 -8.480 -13.070 -9.515 1.00 64.01 O ATOM 0 H GLY A 30 -8.590 -10.299 -12.855 1.00 23.44 H new ATOM 0 HA2 GLY A 30 -9.773 -10.979 -11.067 1.00 30.01 H new ATOM 0 HA3 GLY A 30 -9.694 -12.596 -11.737 1.00 30.01 H new ATOM 410 N GLU A 31 -7.008 -11.507 -10.228 1.00 31.04 N ATOM 411 CA GLU A 31 -6.024 -11.804 -9.201 1.00 61.21 C ATOM 412 C GLU A 31 -5.569 -10.516 -8.513 1.00 20.13 C ATOM 413 O GLU A 31 -5.615 -9.441 -9.107 1.00 61.15 O ATOM 414 CB GLU A 31 -4.832 -12.563 -9.788 1.00 2.14 C ATOM 415 CG GLU A 31 -3.658 -12.581 -8.808 1.00 22.55 C ATOM 416 CD GLU A 31 -2.632 -13.647 -9.201 1.00 32.13 C ATOM 417 OE1 GLU A 31 -3.005 -14.802 -9.457 1.00 42.41 O ATOM 418 OE2 GLU A 31 -1.408 -13.239 -9.236 1.00 71.12 O ATOM 0 H GLU A 31 -6.740 -10.764 -10.873 1.00 31.04 H new ATOM 0 HA GLU A 31 -6.490 -12.446 -8.454 1.00 61.21 H new ATOM 0 HB2 GLU A 31 -5.128 -13.585 -10.025 1.00 2.14 H new ATOM 0 HB3 GLU A 31 -4.523 -12.095 -10.723 1.00 2.14 H new ATOM 0 HG2 GLU A 31 -3.181 -11.601 -8.789 1.00 22.55 H new ATOM 0 HG3 GLU A 31 -4.024 -12.777 -7.800 1.00 22.55 H new ATOM 425 N ASP A 32 -5.142 -10.668 -7.267 1.00 65.23 N ATOM 426 CA ASP A 32 -4.679 -9.530 -6.491 1.00 52.11 C ATOM 427 C ASP A 32 -3.218 -9.240 -6.841 1.00 41.15 C ATOM 428 O ASP A 32 -2.314 -9.922 -6.362 1.00 30.13 O ATOM 429 CB ASP A 32 -4.757 -9.817 -4.991 1.00 70.43 C ATOM 430 CG ASP A 32 -4.367 -11.240 -4.585 1.00 4.35 C ATOM 431 OD1 ASP A 32 -5.334 -12.093 -4.584 1.00 33.14 O ATOM 432 OD2 ASP A 32 -3.196 -11.519 -4.283 1.00 71.13 O ATOM 0 H ASP A 32 -5.107 -11.562 -6.776 1.00 65.23 H new ATOM 0 HA ASP A 32 -5.317 -8.679 -6.729 1.00 52.11 H new ATOM 0 HB2 ASP A 32 -4.108 -9.115 -4.468 1.00 70.43 H new ATOM 0 HB3 ASP A 32 -5.775 -9.624 -4.652 1.00 70.43 H new ATOM 437 N MET A 33 -3.031 -8.226 -7.674 1.00 73.43 N ATOM 438 CA MET A 33 -1.696 -7.837 -8.093 1.00 63.11 C ATOM 439 C MET A 33 -0.715 -7.893 -6.921 1.00 34.34 C ATOM 440 O MET A 33 -0.988 -7.347 -5.852 1.00 5.22 O ATOM 441 CB MET A 33 -1.733 -6.417 -8.662 1.00 20.14 C ATOM 442 CG MET A 33 -1.963 -6.438 -10.174 1.00 23.30 C ATOM 443 SD MET A 33 -2.694 -4.898 -10.701 1.00 71.14 S ATOM 444 CE MET A 33 -1.414 -3.759 -10.202 1.00 65.33 C ATOM 0 H MET A 33 -3.783 -7.662 -8.070 1.00 73.43 H new ATOM 0 HA MET A 33 -1.358 -8.536 -8.858 1.00 63.11 H new ATOM 0 HB2 MET A 33 -2.527 -5.848 -8.178 1.00 20.14 H new ATOM 0 HB3 MET A 33 -0.795 -5.908 -8.440 1.00 20.14 H new ATOM 0 HG2 MET A 33 -1.017 -6.597 -10.692 1.00 23.30 H new ATOM 0 HG3 MET A 33 -2.616 -7.270 -10.439 1.00 23.30 H new ATOM 0 HE1 MET A 33 -1.711 -2.742 -10.459 1.00 65.33 H new ATOM 0 HE2 MET A 33 -1.262 -3.831 -9.125 1.00 65.33 H new ATOM 0 HE3 MET A 33 -0.486 -4.007 -10.716 1.00 65.33 H new ATOM 454 N VAL A 34 0.406 -8.557 -7.159 1.00 33.54 N ATOM 455 CA VAL A 34 1.429 -8.691 -6.136 1.00 35.33 C ATOM 456 C VAL A 34 2.379 -7.495 -6.211 1.00 13.32 C ATOM 457 O VAL A 34 2.386 -6.763 -7.200 1.00 34.14 O ATOM 458 CB VAL A 34 2.146 -10.034 -6.285 1.00 72.24 C ATOM 459 CG1 VAL A 34 3.005 -10.337 -5.056 1.00 60.23 C ATOM 460 CG2 VAL A 34 1.147 -11.163 -6.547 1.00 30.41 C ATOM 0 H VAL A 34 0.629 -9.008 -8.046 1.00 33.54 H new ATOM 0 HA VAL A 34 0.979 -8.687 -5.143 1.00 35.33 H new ATOM 0 HB VAL A 34 2.808 -9.965 -7.148 1.00 72.24 H new ATOM 0 HG11 VAL A 34 3.503 -11.297 -5.188 1.00 60.23 H new ATOM 0 HG12 VAL A 34 3.753 -9.554 -4.933 1.00 60.23 H new ATOM 0 HG13 VAL A 34 2.371 -10.376 -4.170 1.00 60.23 H new ATOM 0 HG21 VAL A 34 1.683 -12.107 -6.649 1.00 30.41 H new ATOM 0 HG22 VAL A 34 0.448 -11.231 -5.713 1.00 30.41 H new ATOM 0 HG23 VAL A 34 0.598 -10.957 -7.465 1.00 30.41 H new ATOM 470 N LYS A 35 3.160 -7.332 -5.153 1.00 33.15 N ATOM 471 CA LYS A 35 4.111 -6.236 -5.086 1.00 64.44 C ATOM 472 C LYS A 35 5.534 -6.799 -5.137 1.00 51.32 C ATOM 473 O LYS A 35 5.821 -7.825 -4.523 1.00 4.05 O ATOM 474 CB LYS A 35 3.840 -5.363 -3.860 1.00 54.22 C ATOM 475 CG LYS A 35 4.893 -5.595 -2.776 1.00 2.23 C ATOM 476 CD LYS A 35 6.111 -4.695 -2.993 1.00 52.21 C ATOM 477 CE LYS A 35 7.012 -4.684 -1.757 1.00 21.01 C ATOM 478 NZ LYS A 35 8.266 -3.949 -2.036 1.00 50.31 N ATOM 0 H LYS A 35 3.153 -7.941 -4.335 1.00 33.15 H new ATOM 0 HA LYS A 35 3.995 -5.578 -5.947 1.00 64.44 H new ATOM 0 HB2 LYS A 35 3.838 -4.313 -4.151 1.00 54.22 H new ATOM 0 HB3 LYS A 35 2.850 -5.585 -3.463 1.00 54.22 H new ATOM 0 HG2 LYS A 35 4.460 -5.397 -1.795 1.00 2.23 H new ATOM 0 HG3 LYS A 35 5.203 -6.640 -2.783 1.00 2.23 H new ATOM 0 HD2 LYS A 35 6.677 -5.045 -3.857 1.00 52.21 H new ATOM 0 HD3 LYS A 35 5.782 -3.680 -3.217 1.00 52.21 H new ATOM 0 HE2 LYS A 35 6.488 -4.218 -0.922 1.00 21.01 H new ATOM 0 HE3 LYS A 35 7.242 -5.707 -1.458 1.00 21.01 H new ATOM 0 HZ1 LYS A 35 8.729 -3.700 -1.139 1.00 50.31 H new ATOM 0 HZ2 LYS A 35 8.902 -4.549 -2.599 1.00 50.31 H new ATOM 0 HZ3 LYS A 35 8.049 -3.081 -2.566 1.00 50.31 H new ATOM 491 N GLN A 36 6.386 -6.102 -5.875 1.00 35.40 N ATOM 492 CA GLN A 36 7.771 -6.519 -6.014 1.00 34.30 C ATOM 493 C GLN A 36 8.593 -6.035 -4.818 1.00 42.51 C ATOM 494 O GLN A 36 9.796 -5.809 -4.939 1.00 13.10 O ATOM 495 CB GLN A 36 8.365 -6.015 -7.330 1.00 5.44 C ATOM 496 CG GLN A 36 7.336 -6.084 -8.460 1.00 12.11 C ATOM 497 CD GLN A 36 7.182 -7.516 -8.974 1.00 64.42 C ATOM 498 OE1 GLN A 36 5.986 -8.048 -8.744 1.00 31.21 O flip ATOM 499 NE2 GLN A 36 8.091 -8.100 -9.543 1.00 70.44 N flip ATOM 0 H GLN A 36 6.144 -5.251 -6.383 1.00 35.40 H new ATOM 0 HA GLN A 36 7.803 -7.608 -6.034 1.00 34.30 H new ATOM 0 HB2 GLN A 36 8.708 -4.987 -7.208 1.00 5.44 H new ATOM 0 HB3 GLN A 36 9.238 -6.613 -7.592 1.00 5.44 H new ATOM 0 HG2 GLN A 36 6.374 -5.716 -8.103 1.00 12.11 H new ATOM 0 HG3 GLN A 36 7.644 -5.432 -9.277 1.00 12.11 H new ATOM 0 HE21 GLN A 36 8.986 -7.633 -9.687 1.00 70.44 H new ATOM 0 HE22 GLN A 36 7.955 -9.055 -9.874 1.00 70.44 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -2.853 -3.103 -20.633 1.00 24.24 N ATOM 510 CA ALA B 1 -3.517 -1.859 -20.977 1.00 13.42 C ATOM 511 C ALA B 1 -2.704 -1.131 -22.049 1.00 10.41 C ATOM 512 O ALA B 1 -3.049 -1.170 -23.229 1.00 21.42 O ATOM 513 CB ALA B 1 -3.706 -1.014 -19.715 1.00 42.31 C ATOM 0 H1 ALA B 1 -3.487 -3.685 -20.050 1.00 24.24 H new ATOM 0 H2 ALA B 1 -2.611 -3.619 -21.503 1.00 24.24 H new ATOM 0 H3 ALA B 1 -1.984 -2.897 -20.100 1.00 24.24 H new ATOM 0 HA ALA B 1 -4.507 -2.055 -21.390 1.00 13.42 H new ATOM 0 HB1 ALA B 1 -4.205 -0.080 -19.974 1.00 42.31 H new ATOM 0 HB2 ALA B 1 -4.315 -1.563 -18.997 1.00 42.31 H new ATOM 0 HB3 ALA B 1 -2.733 -0.796 -19.274 1.00 42.31 H new ATOM 519 N ASN B 2 -1.638 -0.483 -21.600 1.00 55.44 N ATOM 520 CA ASN B 2 -0.773 0.253 -22.506 1.00 71.43 C ATOM 521 C ASN B 2 0.563 0.532 -21.814 1.00 70.42 C ATOM 522 O ASN B 2 0.591 0.976 -20.667 1.00 60.54 O ATOM 523 CB ASN B 2 -1.395 1.596 -22.893 1.00 72.23 C ATOM 524 CG ASN B 2 -2.629 1.395 -23.774 1.00 33.42 C ATOM 525 OD1 ASN B 2 -3.730 1.162 -23.302 1.00 31.02 O ATOM 526 ND2 ASN B 2 -2.387 1.497 -25.078 1.00 3.40 N ATOM 0 H ASN B 2 -1.354 -0.453 -20.621 1.00 55.44 H new ATOM 0 HA ASN B 2 -0.633 -0.350 -23.403 1.00 71.43 H new ATOM 0 HB2 ASN B 2 -1.672 2.145 -21.993 1.00 72.23 H new ATOM 0 HB3 ASN B 2 -0.660 2.202 -23.423 1.00 72.23 H new ATOM 0 HD21 ASN B 2 -3.146 1.378 -25.748 1.00 3.40 H new ATOM 0 HD22 ASN B 2 -1.442 1.694 -25.407 1.00 3.40 H new ATOM 533 N GLU B 3 1.637 0.261 -22.541 1.00 3.32 N ATOM 534 CA GLU B 3 2.973 0.478 -22.011 1.00 2.11 C ATOM 535 C GLU B 3 3.295 1.973 -21.978 1.00 42.33 C ATOM 536 O GLU B 3 2.941 2.708 -22.900 1.00 15.24 O ATOM 537 CB GLU B 3 4.016 -0.290 -22.825 1.00 3.23 C ATOM 538 CG GLU B 3 5.433 0.028 -22.340 1.00 54.20 C ATOM 539 CD GLU B 3 6.425 -1.038 -22.808 1.00 31.23 C ATOM 540 OE1 GLU B 3 6.082 -2.229 -22.847 1.00 43.43 O ATOM 541 OE2 GLU B 3 7.589 -0.592 -23.139 1.00 41.12 O ATOM 0 H GLU B 3 1.610 -0.107 -23.492 1.00 3.32 H new ATOM 0 HA GLU B 3 3.004 0.098 -20.990 1.00 2.11 H new ATOM 0 HB2 GLU B 3 3.831 -1.361 -22.742 1.00 3.23 H new ATOM 0 HB3 GLU B 3 3.922 -0.031 -23.880 1.00 3.23 H new ATOM 0 HG2 GLU B 3 5.739 1.004 -22.715 1.00 54.20 H new ATOM 0 HG3 GLU B 3 5.444 0.087 -21.252 1.00 54.20 H new ATOM 548 N GLY B 4 3.963 2.379 -20.908 1.00 74.31 N ATOM 549 CA GLY B 4 4.336 3.773 -20.744 1.00 2.21 C ATOM 550 C GLY B 4 3.099 4.654 -20.553 1.00 50.12 C ATOM 551 O GLY B 4 3.177 5.876 -20.672 1.00 23.11 O ATOM 0 H GLY B 4 4.255 1.767 -20.146 1.00 74.31 H new ATOM 0 HA2 GLY B 4 4.997 3.877 -19.884 1.00 2.21 H new ATOM 0 HA3 GLY B 4 4.894 4.109 -21.618 1.00 2.21 H new ATOM 555 N ASP B 5 1.985 3.998 -20.261 1.00 4.14 N ATOM 556 CA ASP B 5 0.734 4.706 -20.053 1.00 13.33 C ATOM 557 C ASP B 5 0.430 4.767 -18.554 1.00 1.52 C ATOM 558 O ASP B 5 0.902 3.930 -17.787 1.00 22.13 O ATOM 559 CB ASP B 5 -0.428 3.986 -20.740 1.00 60.41 C ATOM 560 CG ASP B 5 -1.069 4.751 -21.899 1.00 2.41 C ATOM 561 OD1 ASP B 5 -0.969 6.036 -21.825 1.00 74.20 O ATOM 562 OD2 ASP B 5 -1.634 4.152 -22.826 1.00 31.04 O ATOM 0 H ASP B 5 1.923 2.985 -20.164 1.00 4.14 H new ATOM 0 HA ASP B 5 0.839 5.706 -20.474 1.00 13.33 H new ATOM 0 HB2 ASP B 5 -0.071 3.025 -21.112 1.00 60.41 H new ATOM 0 HB3 ASP B 5 -1.196 3.775 -19.996 1.00 60.41 H new ATOM 567 N VAL B 6 -0.355 5.767 -18.182 1.00 34.35 N ATOM 568 CA VAL B 6 -0.727 5.949 -16.789 1.00 64.24 C ATOM 569 C VAL B 6 -2.244 5.815 -16.649 1.00 71.01 C ATOM 570 O VAL B 6 -2.993 6.248 -17.524 1.00 70.23 O ATOM 571 CB VAL B 6 -0.195 7.288 -16.276 1.00 3.11 C ATOM 572 CG1 VAL B 6 -0.854 7.668 -14.949 1.00 11.41 C ATOM 573 CG2 VAL B 6 1.329 7.258 -16.142 1.00 31.31 C ATOM 0 H VAL B 6 -0.744 6.460 -18.821 1.00 34.35 H new ATOM 0 HA VAL B 6 -0.274 5.176 -16.169 1.00 64.24 H new ATOM 0 HB VAL B 6 -0.452 8.053 -17.009 1.00 3.11 H new ATOM 0 HG11 VAL B 6 -0.458 8.624 -14.607 1.00 11.41 H new ATOM 0 HG12 VAL B 6 -1.932 7.751 -15.089 1.00 11.41 H new ATOM 0 HG13 VAL B 6 -0.643 6.900 -14.205 1.00 11.41 H new ATOM 0 HG21 VAL B 6 1.681 8.222 -15.776 1.00 31.31 H new ATOM 0 HG22 VAL B 6 1.617 6.476 -15.440 1.00 31.31 H new ATOM 0 HG23 VAL B 6 1.776 7.055 -17.115 1.00 31.31 H new ATOM 583 N TYR B 7 -2.654 5.215 -15.541 1.00 23.04 N ATOM 584 CA TYR B 7 -4.069 5.019 -15.275 1.00 51.22 C ATOM 585 C TYR B 7 -4.455 5.596 -13.912 1.00 0.44 C ATOM 586 O TYR B 7 -3.777 5.352 -12.915 1.00 4.13 O ATOM 587 CB TYR B 7 -4.288 3.505 -15.256 1.00 12.44 C ATOM 588 CG TYR B 7 -4.698 2.919 -16.608 1.00 20.44 C ATOM 589 CD1 TYR B 7 -3.866 3.055 -17.700 1.00 4.11 C ATOM 590 CD2 TYR B 7 -5.900 2.253 -16.735 1.00 34.40 C ATOM 591 CE1 TYR B 7 -4.252 2.504 -18.973 1.00 31.42 C ATOM 592 CE2 TYR B 7 -6.287 1.700 -18.008 1.00 4.11 C ATOM 593 CZ TYR B 7 -5.443 1.853 -19.064 1.00 71.32 C ATOM 594 OH TYR B 7 -5.808 1.331 -20.266 1.00 44.34 O ATOM 0 H TYR B 7 -2.031 4.858 -14.817 1.00 23.04 H new ATOM 0 HA TYR B 7 -4.675 5.519 -16.030 1.00 51.22 H new ATOM 0 HB2 TYR B 7 -3.370 3.020 -14.924 1.00 12.44 H new ATOM 0 HB3 TYR B 7 -5.057 3.269 -14.521 1.00 12.44 H new ATOM 0 HD1 TYR B 7 -2.925 3.575 -17.600 1.00 4.11 H new ATOM 0 HD2 TYR B 7 -6.551 2.146 -15.880 1.00 34.40 H new ATOM 0 HE1 TYR B 7 -3.611 2.605 -19.836 1.00 31.42 H new ATOM 0 HE2 TYR B 7 -7.225 1.176 -18.121 1.00 4.11 H new ATOM 0 HH TYR B 7 -6.681 0.894 -20.181 1.00 44.34 H new ATOM 604 N LYS B 8 -5.544 6.351 -13.911 1.00 71.41 N ATOM 605 CA LYS B 8 -6.030 6.964 -12.687 1.00 24.01 C ATOM 606 C LYS B 8 -7.505 6.612 -12.495 1.00 35.40 C ATOM 607 O LYS B 8 -8.243 6.460 -13.468 1.00 63.32 O ATOM 608 CB LYS B 8 -5.752 8.468 -12.695 1.00 42.24 C ATOM 609 CG LYS B 8 -6.420 9.155 -11.502 1.00 40.44 C ATOM 610 CD LYS B 8 -6.306 10.678 -11.613 1.00 32.43 C ATOM 611 CE LYS B 8 -7.680 11.340 -11.484 1.00 71.24 C ATOM 612 NZ LYS B 8 -7.540 12.731 -10.999 1.00 52.23 N ATOM 0 H LYS B 8 -6.104 6.552 -14.740 1.00 71.41 H new ATOM 0 HA LYS B 8 -5.494 6.569 -11.824 1.00 24.01 H new ATOM 0 HB2 LYS B 8 -4.677 8.643 -12.665 1.00 42.24 H new ATOM 0 HB3 LYS B 8 -6.120 8.905 -13.624 1.00 42.24 H new ATOM 0 HG2 LYS B 8 -7.470 8.868 -11.453 1.00 40.44 H new ATOM 0 HG3 LYS B 8 -5.954 8.818 -10.576 1.00 40.44 H new ATOM 0 HD2 LYS B 8 -5.642 11.055 -10.835 1.00 32.43 H new ATOM 0 HD3 LYS B 8 -5.858 10.944 -12.570 1.00 32.43 H new ATOM 0 HE2 LYS B 8 -8.185 11.334 -12.450 1.00 71.24 H new ATOM 0 HE3 LYS B 8 -8.302 10.769 -10.795 1.00 71.24 H new ATOM 0 HZ1 LYS B 8 -8.481 13.166 -10.917 1.00 52.23 H new ATOM 0 HZ2 LYS B 8 -7.077 12.729 -10.068 1.00 52.23 H new ATOM 0 HZ3 LYS B 8 -6.964 13.277 -11.671 1.00 52.23 H new ATOM 625 N CYS B 9 -7.894 6.493 -11.233 1.00 74.42 N ATOM 626 CA CYS B 9 -9.270 6.162 -10.902 1.00 25.30 C ATOM 627 C CYS B 9 -10.053 7.466 -10.744 1.00 10.32 C ATOM 628 O CYS B 9 -9.468 8.548 -10.734 1.00 73.42 O ATOM 629 CB CYS B 9 -9.355 5.289 -9.648 1.00 23.24 C ATOM 630 SG CYS B 9 -10.950 4.415 -9.427 1.00 5.53 S ATOM 0 H CYS B 9 -7.280 6.620 -10.428 1.00 74.42 H new ATOM 0 HA CYS B 9 -9.709 5.572 -11.706 1.00 25.30 H new ATOM 0 HB2 CYS B 9 -8.554 4.551 -9.681 1.00 23.24 H new ATOM 0 HB3 CYS B 9 -9.176 5.915 -8.774 1.00 23.24 H new ATOM 635 N GLU B 10 -11.365 7.320 -10.625 1.00 64.21 N ATOM 636 CA GLU B 10 -12.235 8.473 -10.468 1.00 41.53 C ATOM 637 C GLU B 10 -13.009 8.380 -9.152 1.00 61.30 C ATOM 638 O GLU B 10 -13.916 9.172 -8.903 1.00 72.54 O ATOM 639 CB GLU B 10 -13.189 8.606 -11.657 1.00 23.22 C ATOM 640 CG GLU B 10 -12.418 8.872 -12.952 1.00 24.45 C ATOM 641 CD GLU B 10 -11.698 10.221 -12.894 1.00 75.42 C ATOM 642 OE1 GLU B 10 -10.608 10.229 -12.204 1.00 34.01 O ATOM 643 OE2 GLU B 10 -12.173 11.203 -13.486 1.00 25.51 O ATOM 0 H GLU B 10 -11.846 6.421 -10.634 1.00 64.21 H new ATOM 0 HA GLU B 10 -11.615 9.369 -10.439 1.00 41.53 H new ATOM 0 HB2 GLU B 10 -13.776 7.694 -11.760 1.00 23.22 H new ATOM 0 HB3 GLU B 10 -13.892 9.419 -11.475 1.00 23.22 H new ATOM 0 HG2 GLU B 10 -11.693 8.075 -13.118 1.00 24.45 H new ATOM 0 HG3 GLU B 10 -13.105 8.859 -13.798 1.00 24.45 H new ATOM 650 N LEU B 11 -12.621 7.403 -8.344 1.00 2.54 N ATOM 651 CA LEU B 11 -13.268 7.196 -7.059 1.00 22.32 C ATOM 652 C LEU B 11 -12.200 7.065 -5.970 1.00 65.52 C ATOM 653 O LEU B 11 -12.095 7.919 -5.092 1.00 33.15 O ATOM 654 CB LEU B 11 -14.226 6.005 -7.127 1.00 25.43 C ATOM 655 CG LEU B 11 -14.406 5.215 -5.829 1.00 73.31 C ATOM 656 CD1 LEU B 11 -15.378 5.925 -4.885 1.00 41.23 C ATOM 657 CD2 LEU B 11 -14.839 3.776 -6.120 1.00 71.23 C ATOM 0 H LEU B 11 -11.868 6.747 -8.554 1.00 2.54 H new ATOM 0 HA LEU B 11 -13.884 8.057 -6.800 1.00 22.32 H new ATOM 0 HB2 LEU B 11 -15.203 6.368 -7.447 1.00 25.43 H new ATOM 0 HB3 LEU B 11 -13.871 5.322 -7.899 1.00 25.43 H new ATOM 0 HG LEU B 11 -13.442 5.166 -5.322 1.00 73.31 H new ATOM 0 HD11 LEU B 11 -15.488 5.342 -3.970 1.00 41.23 H new ATOM 0 HD12 LEU B 11 -14.991 6.914 -4.641 1.00 41.23 H new ATOM 0 HD13 LEU B 11 -16.349 6.025 -5.370 1.00 41.23 H new ATOM 0 HD21 LEU B 11 -14.960 3.236 -5.181 1.00 71.23 H new ATOM 0 HD22 LEU B 11 -15.786 3.783 -6.659 1.00 71.23 H new ATOM 0 HD23 LEU B 11 -14.079 3.283 -6.727 1.00 71.23 H new ATOM 669 N CYS B 12 -11.434 5.988 -6.065 1.00 51.21 N ATOM 670 CA CYS B 12 -10.377 5.733 -5.100 1.00 13.51 C ATOM 671 C CYS B 12 -9.258 6.751 -5.333 1.00 74.34 C ATOM 672 O CYS B 12 -8.387 6.926 -4.484 1.00 4.31 O ATOM 673 CB CYS B 12 -9.868 4.294 -5.185 1.00 61.55 C ATOM 674 SG CYS B 12 -8.868 3.921 -6.673 1.00 35.41 S ATOM 0 H CYS B 12 -11.524 5.282 -6.795 1.00 51.21 H new ATOM 0 HA CYS B 12 -10.768 5.850 -4.089 1.00 13.51 H new ATOM 0 HB2 CYS B 12 -9.269 4.082 -4.299 1.00 61.55 H new ATOM 0 HB3 CYS B 12 -10.723 3.619 -5.160 1.00 61.55 H new ATOM 679 N GLY B 13 -9.319 7.394 -6.491 1.00 22.24 N ATOM 680 CA GLY B 13 -8.321 8.388 -6.847 1.00 15.04 C ATOM 681 C GLY B 13 -6.912 7.795 -6.791 1.00 4.21 C ATOM 682 O GLY B 13 -6.006 8.391 -6.209 1.00 40.04 O ATOM 0 H GLY B 13 -10.043 7.246 -7.194 1.00 22.24 H new ATOM 0 HA2 GLY B 13 -8.521 8.766 -7.850 1.00 15.04 H new ATOM 0 HA3 GLY B 13 -8.389 9.237 -6.167 1.00 15.04 H new ATOM 686 N GLN B 14 -6.771 6.629 -7.405 1.00 44.22 N ATOM 687 CA GLN B 14 -5.487 5.949 -7.433 1.00 64.01 C ATOM 688 C GLN B 14 -4.818 6.132 -8.797 1.00 52.31 C ATOM 689 O GLN B 14 -5.460 5.970 -9.834 1.00 13.11 O ATOM 690 CB GLN B 14 -5.644 4.466 -7.095 1.00 32.00 C ATOM 691 CG GLN B 14 -4.313 3.726 -7.239 1.00 31.54 C ATOM 692 CD GLN B 14 -4.135 2.695 -6.122 1.00 15.14 C ATOM 693 OE1 GLN B 14 -3.289 2.822 -5.253 1.00 23.03 O ATOM 694 NE2 GLN B 14 -4.980 1.670 -6.192 1.00 74.01 N ATOM 0 H GLN B 14 -7.524 6.138 -7.887 1.00 44.22 H new ATOM 0 HA GLN B 14 -4.846 6.395 -6.673 1.00 64.01 H new ATOM 0 HB2 GLN B 14 -6.015 4.359 -6.076 1.00 32.00 H new ATOM 0 HB3 GLN B 14 -6.387 4.016 -7.753 1.00 32.00 H new ATOM 0 HG2 GLN B 14 -4.273 3.228 -8.208 1.00 31.54 H new ATOM 0 HG3 GLN B 14 -3.491 4.441 -7.213 1.00 31.54 H new ATOM 0 HE21 GLN B 14 -5.665 1.624 -6.946 1.00 74.01 H new ATOM 0 HE22 GLN B 14 -4.943 0.930 -5.491 1.00 74.01 H new ATOM 703 N VAL B 15 -3.538 6.468 -8.752 1.00 41.45 N ATOM 704 CA VAL B 15 -2.776 6.676 -9.972 1.00 41.01 C ATOM 705 C VAL B 15 -1.635 5.657 -10.036 1.00 54.24 C ATOM 706 O VAL B 15 -0.860 5.529 -9.090 1.00 21.33 O ATOM 707 CB VAL B 15 -2.287 8.124 -10.045 1.00 50.23 C ATOM 708 CG1 VAL B 15 -1.518 8.379 -11.343 1.00 0.24 C ATOM 709 CG2 VAL B 15 -3.453 9.104 -9.896 1.00 63.31 C ATOM 0 H VAL B 15 -3.009 6.602 -7.890 1.00 41.45 H new ATOM 0 HA VAL B 15 -3.406 6.515 -10.847 1.00 41.01 H new ATOM 0 HB VAL B 15 -1.602 8.289 -9.213 1.00 50.23 H new ATOM 0 HG11 VAL B 15 -1.182 9.416 -11.369 1.00 0.24 H new ATOM 0 HG12 VAL B 15 -0.654 7.716 -11.390 1.00 0.24 H new ATOM 0 HG13 VAL B 15 -2.170 8.187 -12.196 1.00 0.24 H new ATOM 0 HG21 VAL B 15 -3.079 10.126 -9.951 1.00 63.31 H new ATOM 0 HG22 VAL B 15 -4.173 8.937 -10.697 1.00 63.31 H new ATOM 0 HG23 VAL B 15 -3.939 8.947 -8.933 1.00 63.31 H new ATOM 719 N VAL B 16 -1.571 4.959 -11.160 1.00 33.41 N ATOM 720 CA VAL B 16 -0.539 3.956 -11.360 1.00 31.44 C ATOM 721 C VAL B 16 -0.021 4.042 -12.796 1.00 31.30 C ATOM 722 O VAL B 16 -0.664 4.640 -13.657 1.00 22.12 O ATOM 723 CB VAL B 16 -1.081 2.569 -11.001 1.00 41.45 C ATOM 724 CG1 VAL B 16 -1.370 2.465 -9.503 1.00 34.13 C ATOM 725 CG2 VAL B 16 -2.326 2.238 -11.825 1.00 41.45 C ATOM 0 H VAL B 16 -2.217 5.068 -11.942 1.00 33.41 H new ATOM 0 HA VAL B 16 0.307 4.141 -10.698 1.00 31.44 H new ATOM 0 HB VAL B 16 -0.313 1.835 -11.245 1.00 41.45 H new ATOM 0 HG11 VAL B 16 -1.754 1.471 -9.275 1.00 34.13 H new ATOM 0 HG12 VAL B 16 -0.451 2.637 -8.942 1.00 34.13 H new ATOM 0 HG13 VAL B 16 -2.111 3.213 -9.223 1.00 34.13 H new ATOM 0 HG21 VAL B 16 -2.691 1.248 -11.551 1.00 41.45 H new ATOM 0 HG22 VAL B 16 -3.101 2.978 -11.627 1.00 41.45 H new ATOM 0 HG23 VAL B 16 -2.075 2.251 -12.886 1.00 41.45 H new ATOM 735 N LYS B 17 1.137 3.434 -13.011 1.00 3.11 N ATOM 736 CA LYS B 17 1.750 3.436 -14.328 1.00 74.43 C ATOM 737 C LYS B 17 1.762 2.009 -14.881 1.00 31.22 C ATOM 738 O LYS B 17 1.618 1.047 -14.129 1.00 73.31 O ATOM 739 CB LYS B 17 3.133 4.086 -14.276 1.00 40.30 C ATOM 740 CG LYS B 17 4.238 3.043 -14.461 1.00 53.10 C ATOM 741 CD LYS B 17 4.682 2.969 -15.923 1.00 73.42 C ATOM 742 CE LYS B 17 5.896 3.865 -16.174 1.00 11.12 C ATOM 743 NZ LYS B 17 5.697 4.677 -17.395 1.00 22.50 N ATOM 0 H LYS B 17 1.666 2.937 -12.295 1.00 3.11 H new ATOM 0 HA LYS B 17 1.165 4.043 -15.019 1.00 74.43 H new ATOM 0 HB2 LYS B 17 3.211 4.845 -15.054 1.00 40.30 H new ATOM 0 HB3 LYS B 17 3.264 4.594 -13.321 1.00 40.30 H new ATOM 0 HG2 LYS B 17 5.091 3.295 -13.831 1.00 53.10 H new ATOM 0 HG3 LYS B 17 3.879 2.066 -14.136 1.00 53.10 H new ATOM 0 HD2 LYS B 17 4.927 1.939 -16.181 1.00 73.42 H new ATOM 0 HD3 LYS B 17 3.861 3.273 -16.572 1.00 73.42 H new ATOM 0 HE2 LYS B 17 6.056 4.519 -15.317 1.00 11.12 H new ATOM 0 HE3 LYS B 17 6.792 3.253 -16.279 1.00 11.12 H new ATOM 0 HZ1 LYS B 17 6.456 4.472 -18.076 1.00 22.50 H new ATOM 0 HZ2 LYS B 17 4.778 4.443 -17.821 1.00 22.50 H new ATOM 0 HZ3 LYS B 17 5.717 5.687 -17.147 1.00 22.50 H new ATOM 756 N VAL B 18 1.936 1.917 -16.191 1.00 55.13 N ATOM 757 CA VAL B 18 1.968 0.624 -16.854 1.00 43.31 C ATOM 758 C VAL B 18 3.380 0.363 -17.384 1.00 32.54 C ATOM 759 O VAL B 18 3.681 0.671 -18.535 1.00 5.02 O ATOM 760 CB VAL B 18 0.899 0.569 -17.947 1.00 4.00 C ATOM 761 CG1 VAL B 18 1.032 -0.708 -18.779 1.00 53.02 C ATOM 762 CG2 VAL B 18 -0.504 0.691 -17.350 1.00 41.52 C ATOM 0 H VAL B 18 2.056 2.717 -16.812 1.00 55.13 H new ATOM 0 HA VAL B 18 1.733 -0.173 -16.149 1.00 43.31 H new ATOM 0 HB VAL B 18 1.055 1.420 -18.611 1.00 4.00 H new ATOM 0 HG11 VAL B 18 0.261 -0.723 -19.549 1.00 53.02 H new ATOM 0 HG12 VAL B 18 2.015 -0.735 -19.250 1.00 53.02 H new ATOM 0 HG13 VAL B 18 0.916 -1.578 -18.132 1.00 53.02 H new ATOM 0 HG21 VAL B 18 -1.244 0.649 -18.149 1.00 41.52 H new ATOM 0 HG22 VAL B 18 -0.675 -0.129 -16.653 1.00 41.52 H new ATOM 0 HG23 VAL B 18 -0.593 1.640 -16.822 1.00 41.52 H new ATOM 772 N LEU B 19 4.206 -0.203 -16.516 1.00 44.33 N ATOM 773 CA LEU B 19 5.579 -0.509 -16.882 1.00 71.43 C ATOM 774 C LEU B 19 5.586 -1.627 -17.927 1.00 64.01 C ATOM 775 O LEU B 19 6.372 -1.593 -18.873 1.00 33.23 O ATOM 776 CB LEU B 19 6.408 -0.826 -15.636 1.00 63.11 C ATOM 777 CG LEU B 19 7.921 -0.645 -15.773 1.00 45.31 C ATOM 778 CD1 LEU B 19 8.455 0.323 -14.714 1.00 61.33 C ATOM 779 CD2 LEU B 19 8.641 -1.994 -15.733 1.00 1.42 C ATOM 0 H LEU B 19 3.951 -0.457 -15.562 1.00 44.33 H new ATOM 0 HA LEU B 19 6.054 0.359 -17.340 1.00 71.43 H new ATOM 0 HB2 LEU B 19 6.059 -0.193 -14.821 1.00 63.11 H new ATOM 0 HB3 LEU B 19 6.210 -1.858 -15.345 1.00 63.11 H new ATOM 0 HG LEU B 19 8.125 -0.201 -16.747 1.00 45.31 H new ATOM 0 HD11 LEU B 19 9.533 0.434 -14.833 1.00 61.33 H new ATOM 0 HD12 LEU B 19 7.975 1.294 -14.833 1.00 61.33 H new ATOM 0 HD13 LEU B 19 8.238 -0.069 -13.720 1.00 61.33 H new ATOM 0 HD21 LEU B 19 9.715 -1.836 -15.832 1.00 1.42 H new ATOM 0 HD22 LEU B 19 8.433 -2.489 -14.785 1.00 1.42 H new ATOM 0 HD23 LEU B 19 8.289 -2.619 -16.554 1.00 1.42 H new ATOM 791 N GLU B 20 4.703 -2.592 -17.720 1.00 11.14 N ATOM 792 CA GLU B 20 4.597 -3.719 -18.632 1.00 25.01 C ATOM 793 C GLU B 20 3.128 -4.029 -18.925 1.00 45.04 C ATOM 794 O GLU B 20 2.383 -4.427 -18.031 1.00 21.05 O ATOM 795 CB GLU B 20 5.316 -4.948 -18.070 1.00 72.00 C ATOM 796 CG GLU B 20 4.814 -6.229 -18.739 1.00 14.24 C ATOM 797 CD GLU B 20 5.130 -6.226 -20.236 1.00 41.12 C ATOM 798 OE1 GLU B 20 6.174 -5.699 -20.648 1.00 43.10 O ATOM 799 OE2 GLU B 20 4.246 -6.799 -20.980 1.00 52.55 O ATOM 0 H GLU B 20 4.054 -2.617 -16.934 1.00 11.14 H new ATOM 0 HA GLU B 20 5.085 -3.450 -19.569 1.00 25.01 H new ATOM 0 HB2 GLU B 20 6.390 -4.849 -18.226 1.00 72.00 H new ATOM 0 HB3 GLU B 20 5.155 -5.008 -16.994 1.00 72.00 H new ATOM 0 HG2 GLU B 20 5.278 -7.095 -18.268 1.00 14.24 H new ATOM 0 HG3 GLU B 20 3.738 -6.323 -18.591 1.00 14.24 H new ATOM 806 N GLU B 21 2.755 -3.835 -20.181 1.00 52.11 N ATOM 807 CA GLU B 21 1.389 -4.089 -20.604 1.00 75.40 C ATOM 808 C GLU B 21 0.854 -5.359 -19.938 1.00 12.14 C ATOM 809 O GLU B 21 1.627 -6.242 -19.568 1.00 75.33 O ATOM 810 CB GLU B 21 1.295 -4.189 -22.128 1.00 12.32 C ATOM 811 CG GLU B 21 1.461 -2.814 -22.778 1.00 12.33 C ATOM 812 CD GLU B 21 2.038 -2.941 -24.189 1.00 42.20 C ATOM 813 OE1 GLU B 21 1.190 -3.295 -25.094 1.00 60.53 O ATOM 814 OE2 GLU B 21 3.239 -2.711 -24.392 1.00 4.32 O ATOM 0 H GLU B 21 3.376 -3.505 -20.920 1.00 52.11 H new ATOM 0 HA GLU B 21 0.771 -3.248 -20.289 1.00 75.40 H new ATOM 0 HB2 GLU B 21 2.064 -4.866 -22.500 1.00 12.32 H new ATOM 0 HB3 GLU B 21 0.332 -4.615 -22.410 1.00 12.32 H new ATOM 0 HG2 GLU B 21 0.496 -2.309 -22.820 1.00 12.33 H new ATOM 0 HG3 GLU B 21 2.118 -2.196 -22.167 1.00 12.33 H new ATOM 821 N GLY B 22 -0.463 -5.411 -19.805 1.00 54.32 N ATOM 822 CA GLY B 22 -1.109 -6.558 -19.190 1.00 10.41 C ATOM 823 C GLY B 22 -2.217 -7.110 -20.090 1.00 20.23 C ATOM 824 O GLY B 22 -2.576 -6.491 -21.090 1.00 12.32 O ATOM 0 H GLY B 22 -1.101 -4.677 -20.113 1.00 54.32 H new ATOM 0 HA2 GLY B 22 -0.370 -7.336 -18.997 1.00 10.41 H new ATOM 0 HA3 GLY B 22 -1.528 -6.270 -18.226 1.00 10.41 H new ATOM 828 N GLY B 23 -2.728 -8.268 -19.700 1.00 31.22 N ATOM 829 CA GLY B 23 -3.788 -8.911 -20.458 1.00 65.44 C ATOM 830 C GLY B 23 -5.161 -8.387 -20.035 1.00 13.04 C ATOM 831 O GLY B 23 -5.929 -7.903 -20.865 1.00 71.33 O ATOM 0 H GLY B 23 -2.428 -8.778 -18.869 1.00 31.22 H new ATOM 0 HA2 GLY B 23 -3.639 -8.731 -21.523 1.00 65.44 H new ATOM 0 HA3 GLY B 23 -3.744 -9.990 -20.307 1.00 65.44 H new ATOM 835 N GLY B 24 -5.429 -8.502 -18.742 1.00 54.33 N ATOM 836 CA GLY B 24 -6.697 -8.045 -18.198 1.00 32.24 C ATOM 837 C GLY B 24 -6.722 -6.521 -18.071 1.00 0.20 C ATOM 838 O GLY B 24 -6.031 -5.822 -18.809 1.00 53.12 O ATOM 0 H GLY B 24 -4.790 -8.905 -18.056 1.00 54.33 H new ATOM 0 HA2 GLY B 24 -7.513 -8.373 -18.842 1.00 32.24 H new ATOM 0 HA3 GLY B 24 -6.861 -8.498 -17.220 1.00 32.24 H new ATOM 842 N THR B 25 -7.527 -6.051 -17.128 1.00 42.35 N ATOM 843 CA THR B 25 -7.652 -4.622 -16.895 1.00 43.44 C ATOM 844 C THR B 25 -7.144 -4.263 -15.498 1.00 33.13 C ATOM 845 O THR B 25 -7.120 -5.110 -14.605 1.00 61.34 O ATOM 846 CB THR B 25 -9.111 -4.229 -17.132 1.00 30.42 C ATOM 847 OG1 THR B 25 -9.159 -3.883 -18.513 1.00 11.31 O ATOM 848 CG2 THR B 25 -9.494 -2.936 -16.409 1.00 70.05 C ATOM 0 H THR B 25 -8.099 -6.635 -16.517 1.00 42.35 H new ATOM 0 HA THR B 25 -7.032 -4.053 -17.588 1.00 43.44 H new ATOM 0 HB THR B 25 -9.762 -5.037 -16.799 1.00 30.42 H new ATOM 0 HG1 THR B 25 -10.071 -3.617 -18.752 1.00 11.31 H new ATOM 0 HG21 THR B 25 -10.539 -2.702 -16.611 1.00 70.05 H new ATOM 0 HG22 THR B 25 -9.351 -3.063 -15.336 1.00 70.05 H new ATOM 0 HG23 THR B 25 -8.865 -2.120 -16.765 1.00 70.05 H new ATOM 856 N LEU B 26 -6.751 -3.007 -15.349 1.00 74.01 N ATOM 857 CA LEU B 26 -6.246 -2.526 -14.074 1.00 51.45 C ATOM 858 C LEU B 26 -7.423 -2.227 -13.144 1.00 50.42 C ATOM 859 O LEU B 26 -7.925 -1.105 -13.113 1.00 52.15 O ATOM 860 CB LEU B 26 -5.310 -1.334 -14.285 1.00 41.11 C ATOM 861 CG LEU B 26 -4.366 -1.426 -15.485 1.00 2.22 C ATOM 862 CD1 LEU B 26 -3.798 -0.051 -15.843 1.00 40.12 C ATOM 863 CD2 LEU B 26 -3.261 -2.455 -15.237 1.00 11.05 C ATOM 0 H LEU B 26 -6.772 -2.307 -16.091 1.00 74.01 H new ATOM 0 HA LEU B 26 -5.643 -3.293 -13.588 1.00 51.45 H new ATOM 0 HB2 LEU B 26 -5.917 -0.436 -14.394 1.00 41.11 H new ATOM 0 HB3 LEU B 26 -4.709 -1.205 -13.385 1.00 41.11 H new ATOM 0 HG LEU B 26 -4.940 -1.771 -16.345 1.00 2.22 H new ATOM 0 HD11 LEU B 26 -3.130 -0.145 -16.699 1.00 40.12 H new ATOM 0 HD12 LEU B 26 -4.615 0.626 -16.092 1.00 40.12 H new ATOM 0 HD13 LEU B 26 -3.244 0.346 -14.993 1.00 40.12 H new ATOM 0 HD21 LEU B 26 -2.604 -2.500 -16.106 1.00 11.05 H new ATOM 0 HD22 LEU B 26 -2.683 -2.164 -14.360 1.00 11.05 H new ATOM 0 HD23 LEU B 26 -3.708 -3.435 -15.068 1.00 11.05 H new ATOM 875 N VAL B 27 -7.829 -3.251 -12.408 1.00 40.33 N ATOM 876 CA VAL B 27 -8.938 -3.112 -11.480 1.00 60.33 C ATOM 877 C VAL B 27 -8.447 -2.422 -10.205 1.00 64.45 C ATOM 878 O VAL B 27 -7.289 -2.576 -9.819 1.00 32.20 O ATOM 879 CB VAL B 27 -9.572 -4.479 -11.213 1.00 75.23 C ATOM 880 CG1 VAL B 27 -10.381 -4.464 -9.915 1.00 34.50 C ATOM 881 CG2 VAL B 27 -10.439 -4.921 -12.394 1.00 60.04 C ATOM 0 H VAL B 27 -7.410 -4.180 -12.436 1.00 40.33 H new ATOM 0 HA VAL B 27 -9.719 -2.485 -11.910 1.00 60.33 H new ATOM 0 HB VAL B 27 -8.767 -5.205 -11.098 1.00 75.23 H new ATOM 0 HG11 VAL B 27 -10.821 -5.447 -9.749 1.00 34.50 H new ATOM 0 HG12 VAL B 27 -9.726 -4.214 -9.081 1.00 34.50 H new ATOM 0 HG13 VAL B 27 -11.174 -3.720 -9.989 1.00 34.50 H new ATOM 0 HG21 VAL B 27 -10.878 -5.895 -12.179 1.00 60.04 H new ATOM 0 HG22 VAL B 27 -11.234 -4.193 -12.555 1.00 60.04 H new ATOM 0 HG23 VAL B 27 -9.824 -4.990 -13.291 1.00 60.04 H new ATOM 891 N CYS B 28 -9.351 -1.677 -9.588 1.00 35.33 N ATOM 892 CA CYS B 28 -9.025 -0.964 -8.364 1.00 41.34 C ATOM 893 C CYS B 28 -10.332 -0.597 -7.659 1.00 53.14 C ATOM 894 O CYS B 28 -11.279 -0.139 -8.297 1.00 33.50 O ATOM 895 CB CYS B 28 -8.161 0.268 -8.642 1.00 21.31 C ATOM 896 SG CYS B 28 -9.027 1.637 -9.494 1.00 23.44 S ATOM 0 H CYS B 28 -10.310 -1.551 -9.912 1.00 35.33 H new ATOM 0 HA CYS B 28 -8.431 -1.605 -7.713 1.00 41.34 H new ATOM 0 HB2 CYS B 28 -7.767 0.639 -7.696 1.00 21.31 H new ATOM 0 HB3 CYS B 28 -7.306 -0.034 -9.247 1.00 21.31 H new ATOM 901 N CYS B 29 -10.341 -0.811 -6.351 1.00 53.24 N ATOM 902 CA CYS B 29 -11.516 -0.507 -5.552 1.00 74.21 C ATOM 903 C CYS B 29 -12.742 -1.087 -6.262 1.00 41.11 C ATOM 904 O CYS B 29 -13.579 -0.342 -6.771 1.00 64.31 O ATOM 905 CB CYS B 29 -11.659 0.995 -5.303 1.00 5.45 C ATOM 906 SG CYS B 29 -12.095 1.981 -6.781 1.00 34.42 S ATOM 0 H CYS B 29 -9.554 -1.191 -5.825 1.00 53.24 H new ATOM 0 HA CYS B 29 -11.417 -0.963 -4.567 1.00 74.21 H new ATOM 0 HB2 CYS B 29 -12.423 1.151 -4.541 1.00 5.45 H new ATOM 0 HB3 CYS B 29 -10.721 1.372 -4.896 1.00 5.45 H new ATOM 911 N GLY B 30 -12.810 -2.410 -6.273 1.00 21.14 N ATOM 912 CA GLY B 30 -13.920 -3.097 -6.911 1.00 21.43 C ATOM 913 C GLY B 30 -14.381 -2.348 -8.163 1.00 21.53 C ATOM 914 O GLY B 30 -15.567 -2.347 -8.488 1.00 22.41 O ATOM 0 H GLY B 30 -12.114 -3.025 -5.850 1.00 21.14 H new ATOM 0 HA2 GLY B 30 -13.620 -4.110 -7.179 1.00 21.43 H new ATOM 0 HA3 GLY B 30 -14.750 -3.185 -6.209 1.00 21.43 H new ATOM 918 N GLU B 31 -13.419 -1.731 -8.832 1.00 42.12 N ATOM 919 CA GLU B 31 -13.711 -0.980 -10.041 1.00 63.24 C ATOM 920 C GLU B 31 -12.640 -1.244 -11.102 1.00 75.41 C ATOM 921 O GLU B 31 -11.869 -2.196 -10.987 1.00 12.55 O ATOM 922 CB GLU B 31 -13.829 0.515 -9.743 1.00 12.41 C ATOM 923 CG GLU B 31 -15.260 1.009 -9.972 1.00 4.41 C ATOM 924 CD GLU B 31 -15.389 1.706 -11.328 1.00 63.44 C ATOM 925 OE1 GLU B 31 -14.542 2.540 -11.681 1.00 32.41 O ATOM 926 OE2 GLU B 31 -16.414 1.351 -12.026 1.00 64.32 O ATOM 0 H GLU B 31 -12.436 -1.736 -8.560 1.00 42.12 H new ATOM 0 HA GLU B 31 -14.672 -1.316 -10.430 1.00 63.24 H new ATOM 0 HB2 GLU B 31 -13.535 0.708 -8.711 1.00 12.41 H new ATOM 0 HB3 GLU B 31 -13.142 1.072 -10.380 1.00 12.41 H new ATOM 0 HG2 GLU B 31 -15.951 0.167 -9.924 1.00 4.41 H new ATOM 0 HG3 GLU B 31 -15.542 1.698 -9.176 1.00 4.41 H new ATOM 933 N ASP B 32 -12.628 -0.387 -12.112 1.00 35.43 N ATOM 934 CA ASP B 32 -11.666 -0.517 -13.192 1.00 30.11 C ATOM 935 C ASP B 32 -11.024 0.846 -13.464 1.00 70.11 C ATOM 936 O ASP B 32 -11.618 1.694 -14.129 1.00 31.42 O ATOM 937 CB ASP B 32 -12.344 -0.985 -14.481 1.00 34.24 C ATOM 938 CG ASP B 32 -13.519 -0.122 -14.944 1.00 60.31 C ATOM 939 OD1 ASP B 32 -14.591 -0.234 -14.234 1.00 44.35 O ATOM 940 OD2 ASP B 32 -13.416 0.619 -15.933 1.00 11.25 O ATOM 0 H ASP B 32 -13.270 0.400 -12.205 1.00 35.43 H new ATOM 0 HA ASP B 32 -10.919 -1.251 -12.891 1.00 30.11 H new ATOM 0 HB2 ASP B 32 -11.599 -1.014 -15.276 1.00 34.24 H new ATOM 0 HB3 ASP B 32 -12.697 -2.006 -14.338 1.00 34.24 H new ATOM 945 N MET B 33 -9.821 1.013 -12.936 1.00 44.30 N ATOM 946 CA MET B 33 -9.093 2.258 -13.114 1.00 41.01 C ATOM 947 C MET B 33 -9.281 2.807 -14.530 1.00 32.45 C ATOM 948 O MET B 33 -9.619 2.062 -15.448 1.00 62.11 O ATOM 949 CB MET B 33 -7.603 2.020 -12.853 1.00 14.24 C ATOM 950 CG MET B 33 -7.027 3.106 -11.942 1.00 32.33 C ATOM 951 SD MET B 33 -5.283 2.822 -11.683 1.00 13.40 S ATOM 952 CE MET B 33 -5.347 1.250 -10.840 1.00 35.13 C ATOM 0 H MET B 33 -9.332 0.308 -12.385 1.00 44.30 H new ATOM 0 HA MET B 33 -9.484 2.989 -12.406 1.00 41.01 H new ATOM 0 HB2 MET B 33 -7.462 1.042 -12.393 1.00 14.24 H new ATOM 0 HB3 MET B 33 -7.061 2.009 -13.799 1.00 14.24 H new ATOM 0 HG2 MET B 33 -7.182 4.088 -12.390 1.00 32.33 H new ATOM 0 HG3 MET B 33 -7.550 3.106 -10.986 1.00 32.33 H new ATOM 0 HE1 MET B 33 -4.787 1.314 -9.907 1.00 35.13 H new ATOM 0 HE2 MET B 33 -6.384 0.995 -10.624 1.00 35.13 H new ATOM 0 HE3 MET B 33 -4.909 0.479 -11.474 1.00 35.13 H new ATOM 962 N VAL B 34 -9.056 4.106 -14.661 1.00 31.41 N ATOM 963 CA VAL B 34 -9.198 4.763 -15.949 1.00 64.23 C ATOM 964 C VAL B 34 -7.809 5.030 -16.536 1.00 14.32 C ATOM 965 O VAL B 34 -6.812 4.995 -15.818 1.00 3.24 O ATOM 966 CB VAL B 34 -10.037 6.034 -15.799 1.00 41.03 C ATOM 967 CG1 VAL B 34 -10.557 6.511 -17.157 1.00 24.44 C ATOM 968 CG2 VAL B 34 -11.189 5.816 -14.815 1.00 64.15 C ATOM 0 H VAL B 34 -8.776 4.721 -13.897 1.00 31.41 H new ATOM 0 HA VAL B 34 -9.730 4.119 -16.649 1.00 64.23 H new ATOM 0 HB VAL B 34 -9.394 6.815 -15.394 1.00 41.03 H new ATOM 0 HG11 VAL B 34 -11.150 7.416 -17.022 1.00 24.44 H new ATOM 0 HG12 VAL B 34 -9.714 6.724 -17.815 1.00 24.44 H new ATOM 0 HG13 VAL B 34 -11.177 5.733 -17.603 1.00 24.44 H new ATOM 0 HG21 VAL B 34 -11.770 6.734 -14.726 1.00 64.15 H new ATOM 0 HG22 VAL B 34 -11.831 5.014 -15.179 1.00 64.15 H new ATOM 0 HG23 VAL B 34 -10.787 5.545 -13.839 1.00 64.15 H new ATOM 978 N LYS B 35 -7.792 5.290 -17.834 1.00 61.14 N ATOM 979 CA LYS B 35 -6.543 5.562 -18.526 1.00 70.12 C ATOM 980 C LYS B 35 -6.489 7.043 -18.909 1.00 0.24 C ATOM 981 O LYS B 35 -7.508 7.633 -19.264 1.00 1.41 O ATOM 982 CB LYS B 35 -6.371 4.614 -19.714 1.00 45.11 C ATOM 983 CG LYS B 35 -6.940 5.229 -20.994 1.00 32.10 C ATOM 984 CD LYS B 35 -5.859 5.990 -21.765 1.00 64.23 C ATOM 985 CE LYS B 35 -4.863 5.024 -22.409 1.00 42.21 C ATOM 986 NZ LYS B 35 -3.592 5.718 -22.715 1.00 71.33 N ATOM 0 H LYS B 35 -8.623 5.318 -18.425 1.00 61.14 H new ATOM 0 HA LYS B 35 -5.695 5.370 -17.869 1.00 70.12 H new ATOM 0 HB2 LYS B 35 -5.314 4.389 -19.854 1.00 45.11 H new ATOM 0 HB3 LYS B 35 -6.874 3.669 -19.506 1.00 45.11 H new ATOM 0 HG2 LYS B 35 -7.357 4.444 -21.625 1.00 32.10 H new ATOM 0 HG3 LYS B 35 -7.758 5.905 -20.744 1.00 32.10 H new ATOM 0 HD2 LYS B 35 -6.322 6.607 -22.535 1.00 64.23 H new ATOM 0 HD3 LYS B 35 -5.332 6.665 -21.090 1.00 64.23 H new ATOM 0 HE2 LYS B 35 -4.674 4.186 -21.738 1.00 42.21 H new ATOM 0 HE3 LYS B 35 -5.288 4.610 -23.324 1.00 42.21 H new ATOM 0 HZ1 LYS B 35 -2.978 5.089 -23.272 1.00 71.33 H new ATOM 0 HZ2 LYS B 35 -3.790 6.581 -23.261 1.00 71.33 H new ATOM 0 HZ3 LYS B 35 -3.113 5.972 -21.828 1.00 71.33 H new ATOM 999 N GLN B 36 -5.290 7.600 -18.822 1.00 24.12 N ATOM 1000 CA GLN B 36 -5.090 9.000 -19.155 1.00 4.04 C ATOM 1001 C GLN B 36 -4.852 9.161 -20.657 1.00 65.22 C ATOM 1002 O GLN B 36 -3.731 9.425 -21.087 1.00 43.33 O ATOM 1003 CB GLN B 36 -3.932 9.594 -18.349 1.00 40.34 C ATOM 1004 CG GLN B 36 -3.924 9.052 -16.918 1.00 41.54 C ATOM 1005 CD GLN B 36 -4.936 9.796 -16.044 1.00 44.45 C ATOM 1006 OE1 GLN B 36 -6.085 9.149 -15.877 1.00 45.22 O flip ATOM 1007 NE2 GLN B 36 -4.689 10.886 -15.555 1.00 21.40 N flip ATOM 0 H GLN B 36 -4.447 7.107 -18.526 1.00 24.12 H new ATOM 0 HA GLN B 36 -5.994 9.549 -18.891 1.00 4.04 H new ATOM 0 HB2 GLN B 36 -2.986 9.357 -18.836 1.00 40.34 H new ATOM 0 HB3 GLN B 36 -4.018 10.680 -18.330 1.00 40.34 H new ATOM 0 HG2 GLN B 36 -4.159 7.988 -16.927 1.00 41.54 H new ATOM 0 HG3 GLN B 36 -2.926 9.154 -16.492 1.00 41.54 H new ATOM 0 HE21 GLN B 36 -3.785 11.328 -15.724 1.00 21.40 H new ATOM 0 HE22 GLN B 36 -5.386 11.356 -14.978 1.00 21.40 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.911 -9.902 -15.233 1.00 44.11 ZN HETATM 1018 ZN ZN B 37 -10.539 2.784 -8.040 1.00 3.41 ZN