USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 760 hydrogens (452 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 NoAdj-H: A 4 DAR H2 : A 4 DAR N : A 3 SER C :(H bumps) USER MOD NoAdj-H: A 4 DAR H : A 4 DAR N : A 3 SER C :(H bumps) USER MOD NoAdj-H: A 8 DTH HN2 : A 8 DTH N : A 7 SER C :(H bumps) USER MOD NoAdj-H: A 8 DTH H : A 8 DTH N : A 7 SER C :(H bumps) USER MOD NoAdj-H: B 4 DAR H2 : B 4 DAR N : B 3 SER C :(H bumps) USER MOD NoAdj-H: B 4 DAR H : B 4 DAR N : B 3 SER C :(H bumps) USER MOD NoAdj-H: B 8 DTH HN2 : B 8 DTH N : B 7 SER C :(H bumps) USER MOD NoAdj-H: E 4 DAR H2 : E 4 DAR N : E 3 SER C :(H bumps) USER MOD NoAdj-H: E 4 DAR H : E 4 DAR N : E 3 SER C :(H bumps) USER MOD NoAdj-H: E 8 DTH HN2 : E 8 DTH N : E 7 SER C :(H bumps) USER MOD NoAdj-H: F 4 DAR H2 : F 4 DAR N : F 3 SER C :(H bumps) USER MOD NoAdj-H: F 4 DAR H : F 4 DAR N : F 3 SER C :(H bumps) USER MOD NoAdj-H: F 8 DTH HN2 : F 8 DTH N : F 7 SER C :(H bumps) USER MOD NoAdj-H: C 1 ALA H1 : C 1 ALA N : C 101 MUB C10 :(NH2R) USER MOD NoAdj-H: C 1 ALA H3 : C 1 ALA N : C 101 MUB C10 :(NH2R) USER MOD NoAdj-H: C 2 DGL H : C 2 DGL N : C 1 ALA C :(H bumps) USER MOD NoAdj-H: C 4 DAL H2 : C 4 DAL N : C 3 LYS C :(H bumps) USER MOD NoAdj-H: C 4 DAL H : C 4 DAL N : C 3 LYS C :(H bumps) USER MOD NoAdj-H: C 5 DAL H2 : C 5 DAL N : C 4 DAL C :(H bumps) USER MOD NoAdj-H: C 5 DAL H : C 5 DAL N : C 4 DAL C :(H bumps) USER MOD NoAdj-H: D 1 ALA H1 : D 1 ALA N : D 101 MUB C10 :(NH2R) USER MOD NoAdj-H: D 1 ALA H3 : D 1 ALA N : D 101 MUB C10 :(NH2R) USER MOD NoAdj-H: D 2 DGL H : D 2 DGL N : D 1 ALA C :(H bumps) USER MOD NoAdj-H: D 4 DAL H2 : D 4 DAL N : D 3 LYS C :(H bumps) USER MOD NoAdj-H: D 4 DAL H : D 4 DAL N : D 3 LYS C :(H bumps) USER MOD NoAdj-H: D 5 DAL H2 : D 5 DAL N : D 4 DAL C :(H bumps) USER MOD NoAdj-H: D 5 DAL H : D 5 DAL N : D 4 DAL C :(H bumps) USER MOD NoAdj-H: G 1 ALA H1 : G 1 ALA N : G 101 MUB C10 :(NH2R) USER MOD NoAdj-H: G 1 ALA H3 : G 1 ALA N : G 101 MUB C10 :(NH2R) USER MOD NoAdj-H: G 2 DGL H2 : G 2 DGL N : G 1 ALA C :(H bumps) USER MOD NoAdj-H: G 4 DAL H2 : G 4 DAL N : G 3 LYS C :(H bumps) USER MOD NoAdj-H: G 4 DAL H : G 4 DAL N : G 3 LYS C :(H bumps) USER MOD NoAdj-H: G 5 DAL H2 : G 5 DAL N : G 4 DAL C :(H bumps) USER MOD NoAdj-H: G 5 DAL H : G 5 DAL N : G 4 DAL C :(H bumps) USER MOD NoAdj-H: H 1 ALA H1 : H 1 ALA N : H 101 MUB C10 :(NH2R) USER MOD NoAdj-H: H 1 ALA H3 : H 1 ALA N : H 101 MUB C10 :(NH2R) USER MOD NoAdj-H: H 2 DGL H : H 2 DGL N : H 1 ALA C :(H bumps) USER MOD NoAdj-H: H 4 DAL H : H 4 DAL N : H 3 LYS C :(H bumps) USER MOD NoAdj-H: H 5 DAL H2 : H 5 DAL N : H 4 DAL C :(H bumps) USER MOD NoAdj-H: H 5 DAL H : H 5 DAL N : H 4 DAL C :(H bumps) USER MOD NoAdj-H: A 101 2PO HP : A 101 2PO P : C 101 MUB O1 :(H bumps) USER MOD NoAdj-H: A 102 2PO HP : A 102 2PO P : A 101 2PO O3P :(H bumps) USER MOD NoAdj-H: B 101 2PO HP : B 101 2PO P : D 101 MUB O1 :(H bumps) USER MOD NoAdj-H: B 102 2PO HP : B 102 2PO P : B 101 2PO O3P :(H bumps) USER MOD NoAdj-H: E 101 2PO HP : E 101 2PO P : G 101 MUB O1 :(H bumps) USER MOD NoAdj-H: E 102 2PO HP : E 102 2PO P : E 101 2PO O3P :(H bumps) USER MOD NoAdj-H: F 101 2PO HP : F 101 2PO P : H 101 MUB O1 :(H bumps) USER MOD NoAdj-H: F 102 2PO HP : F 102 2PO P : F 101 2PO O3P :(H bumps) USER MOD Set 1.1: H 3 LYS NZ :NH3+ -124:sc= 0.835 (180deg=-0.38!) USER MOD Set 1.2: H 5 DAL OXT : rot -78:sc= 0.52 USER MOD Set 2.1: G 3 LYS NZ :NH3+ 171:sc= 0.439 (180deg=-1.07) USER MOD Set 2.2: G 5 DAL OXT : rot -143:sc= 0.867 USER MOD Set 3.1: C 3 LYS NZ :NH3+ -128:sc= 0.64 (180deg=-1.15) USER MOD Set 3.2: C 5 DAL OXT : rot -67:sc= 0.148 USER MOD Set 4.1: A 3 SER OG : rot -14:sc= 0.918 USER MOD Set 4.2: B 7 SER OG : rot -80:sc= 1.67 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0857 USER MOD Single : B 3 SER OG : rot 180:sc= -0.0137 USER MOD Single : C 1 ALA N :NH3+ 180:sc= -1.17 (180deg=-1.17) USER MOD Single : C 101 MUB O6 : rot 82:sc= -0.503 USER MOD Single : C 102 NAG O3 : rot 180:sc= 0 USER MOD Single : C 102 NAG O4 : rot 160:sc= 0 USER MOD Single : C 102 NAG O6 : rot 31:sc= 1.12 USER MOD Single : D 1 ALA N :NH3+ 180:sc= -2.47 (180deg=-2.47) USER MOD Single : D 3 LYS NZ :NH3+ -131:sc= 1.39 (180deg=-2.05!) USER MOD Single : D 5 DAL OXT : rot 165:sc= 0 USER MOD Single : D 101 MUB O6 : rot 180:sc= -1.4 USER MOD Single : D 102 NAG O3 : rot -122:sc= -3.06! USER MOD Single : D 102 NAG O4 : rot 160:sc= 0 USER MOD Single : D 102 NAG O6 : rot 22:sc= 0.0497 USER MOD Single : E 3 SER OG : rot 180:sc= 0 USER MOD Single : E 7 SER OG : rot -80:sc= 0.99 USER MOD Single : F 3 SER OG : rot 180:sc= 0 USER MOD Single : F 7 SER OG : rot -137:sc= 0.693 USER MOD Single : G 1 ALA N :NH3+ 180:sc= -0.304 (180deg=-0.304) USER MOD Single : G 101 MUB O6 : rot 180:sc= -2.89! USER MOD Single : G 102 NAG O3 : rot 180:sc= 0 USER MOD Single : G 102 NAG O4 : rot 150:sc= 0 USER MOD Single : G 102 NAG O6 : rot 21:sc= 0.0906 USER MOD Single : H 1 ALA N :NH3+ 180:sc= -3.34 (180deg=-3.34) USER MOD Single : H 101 MUB O6 : rot -85:sc= -0.475 USER MOD Single : H 102 NAG O3 : rot 48:sc= 1.21 USER MOD Single : H 102 NAG O4 : rot 150:sc= 0 USER MOD Single : H 102 NAG O6 : rot 6:sc= -1.91! USER MOD ----------------------------------------------------------------- HETATM 1 N ZAE A 1 6.965 -16.084 -2.982 1.00 0.00 N HETATM 2 CA ZAE A 1 7.290 -15.003 -3.972 1.00 0.00 C HETATM 3 C ZAE A 1 6.719 -13.657 -3.538 1.00 0.00 C HETATM 4 O ZAE A 1 7.386 -12.871 -2.858 1.00 0.00 O HETATM 5 CB ZAE A 1 8.806 -14.873 -4.189 1.00 0.00 C HETATM 6 CG ZAE A 1 9.209 -14.192 -5.483 1.00 0.00 C HETATM 7 CD1 ZAE A 1 9.253 -14.907 -6.675 1.00 0.00 C HETATM 8 CD2 ZAE A 1 9.426 -12.819 -5.526 1.00 0.00 C HETATM 9 CE1 ZAE A 1 9.656 -14.293 -7.851 1.00 0.00 C HETATM 10 CE2 ZAE A 1 9.827 -12.203 -6.701 1.00 0.00 C HETATM 11 CZ ZAE A 1 9.868 -12.927 -7.878 1.00 0.00 C HETATM 12 C10 ZAE A 1 7.609 -15.836 -1.678 1.00 0.00 C HETATM 0 HZ ZAE A 1 10.067 -12.423 -8.824 1.00 0.00 H new HETATM 0 HE2 ZAE A 1 10.109 -11.150 -6.697 1.00 0.00 H new HETATM 0 HE1 ZAE A 1 9.805 -14.886 -8.753 1.00 0.00 H new HETATM 0 HD2 ZAE A 1 9.279 -12.221 -4.626 1.00 0.00 H new HETATM 0 HD1 ZAE A 1 8.968 -15.959 -6.685 1.00 0.00 H new HETATM 0 HB3 ZAE A 1 9.232 -14.316 -3.354 1.00 0.00 H new HETATM 0 HB2 ZAE A 1 9.248 -15.869 -4.166 1.00 0.00 H new HETATM 0 HA ZAE A 1 6.826 -15.293 -4.914 1.00 0.00 H new HETATM 0 H13 ZAE A 1 8.691 -15.801 -1.807 1.00 0.00 H new HETATM 0 H12 ZAE A 1 7.261 -14.885 -1.275 1.00 0.00 H new HETATM 0 H11 ZAE A 1 7.352 -16.638 -0.987 1.00 0.00 H new HETATM 0 H ZAE A 1 6.373 -16.889 -3.186 1.00 0.00 H new ATOM 26 N ILE A 2 5.474 -13.410 -3.907 1.00 0.00 N ATOM 27 CA ILE A 2 4.819 -12.156 -3.579 1.00 0.00 C ATOM 28 C ILE A 2 4.232 -12.226 -2.168 1.00 0.00 C ATOM 29 O ILE A 2 3.770 -13.282 -1.730 1.00 0.00 O ATOM 30 CB ILE A 2 3.703 -11.815 -4.626 1.00 0.00 C ATOM 31 CG1 ILE A 2 3.656 -10.306 -4.903 1.00 0.00 C ATOM 32 CG2 ILE A 2 2.335 -12.334 -4.155 1.00 0.00 C ATOM 33 CD1 ILE A 2 2.640 -9.909 -5.937 1.00 0.00 C ATOM 0 H ILE A 2 4.895 -14.063 -4.435 1.00 0.00 H new ATOM 0 HA ILE A 2 5.562 -11.359 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 2 3.949 -12.319 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.437 -9.782 -3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.642 -9.976 -5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.576 -12.086 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.380 -13.416 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.077 -11.869 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.667 -8.828 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.869 -10.403 -6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.646 -10.207 -5.604 1.00 0.00 H new ATOM 45 N SER A 3 4.326 -11.113 -1.441 1.00 0.00 N ATOM 46 CA SER A 3 3.747 -11.014 -0.110 1.00 0.00 C ATOM 47 C SER A 3 3.098 -9.657 0.086 1.00 0.00 C ATOM 48 O SER A 3 3.421 -8.675 -0.608 1.00 0.00 O ATOM 49 CB SER A 3 4.763 -11.284 1.012 1.00 0.00 C ATOM 50 OG SER A 3 5.990 -10.571 0.858 1.00 0.00 O ATOM 0 H SER A 3 4.800 -10.267 -1.757 1.00 0.00 H new ATOM 0 HA SER A 3 2.990 -11.795 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.315 -11.016 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.976 -12.352 1.048 1.00 0.00 H new ATOM 0 HG SER A 3 6.044 -10.205 -0.049 1.00 0.00 H new HETATM 56 N DAR A 4 2.181 -9.617 1.036 1.00 0.00 N HETATM 57 CA DAR A 4 1.457 -8.407 1.359 1.00 0.00 C HETATM 58 CB DAR A 4 1.745 -8.013 2.798 1.00 0.00 C HETATM 59 CG DAR A 4 2.775 -8.895 3.468 1.00 0.00 C HETATM 60 CD DAR A 4 4.158 -8.303 3.313 1.00 0.00 C HETATM 61 NE DAR A 4 4.995 -8.520 4.487 1.00 0.00 N HETATM 62 CZ DAR A 4 6.310 -8.672 4.410 1.00 0.00 C HETATM 63 NH1 DAR A 4 7.010 -8.989 5.501 1.00 0.00 N HETATM 64 NH2 DAR A 4 6.925 -8.516 3.239 1.00 0.00 N HETATM 65 C DAR A 4 -0.030 -8.605 1.195 1.00 0.00 C HETATM 66 O DAR A 4 -0.574 -9.617 1.637 1.00 0.00 O HETATM 0 HH22 DAR A 4 7.936 -8.632 3.175 1.00 0.00 H new HETATM 0 HH21 DAR A 4 6.385 -8.281 2.407 1.00 0.00 H new HETATM 0 HH12 DAR A 4 8.022 -9.106 5.442 1.00 0.00 H new HETATM 0 HH11 DAR A 4 6.533 -9.114 6.394 1.00 0.00 H new HETATM 0 HG3 DAR A 4 2.536 -9.005 4.526 1.00 0.00 H new HETATM 0 HG2 DAR A 4 2.749 -9.893 3.030 1.00 0.00 H new HETATM 0 HE DAR A 4 4.551 -8.556 5.405 1.00 0.00 H new HETATM 0 HD3 DAR A 4 4.642 -8.742 2.440 1.00 0.00 H new HETATM 0 HD2 DAR A 4 4.072 -7.233 3.125 1.00 0.00 H new HETATM 0 HB3 DAR A 4 2.092 -6.980 2.822 1.00 0.00 H new HETATM 0 HB2 DAR A 4 0.818 -8.051 3.370 1.00 0.00 H new HETATM 0 HA DAR A 4 1.784 -7.622 0.677 1.00 0.00 H new HETATM 80 N 28J A 5 -0.697 -7.653 0.558 1.00 0.00 N HETATM 81 CA 28J A 5 -2.131 -7.772 0.398 1.00 0.00 C HETATM 82 CB 28J A 5 -2.525 -8.492 -0.926 1.00 0.00 C HETATM 83 CG2 28J A 5 -3.808 -9.290 -0.725 1.00 0.00 C HETATM 84 CG1 28J A 5 -2.745 -7.487 -2.064 1.00 0.00 C HETATM 85 CD1 28J A 5 -3.063 -8.135 -3.400 1.00 0.00 C HETATM 86 C 28J A 5 -2.814 -6.407 0.516 1.00 0.00 C HETATM 87 O 28J A 5 -2.169 -5.351 0.422 1.00 0.00 O ATOM 98 N ILE A 6 -4.112 -6.468 0.807 1.00 0.00 N ATOM 99 CA ILE A 6 -4.975 -5.295 0.928 1.00 0.00 C ATOM 100 C ILE A 6 -5.788 -5.275 2.243 1.00 0.00 C ATOM 101 O ILE A 6 -6.556 -6.200 2.515 1.00 0.00 O ATOM 102 CB ILE A 6 -5.949 -5.275 -0.280 1.00 0.00 C ATOM 103 CG1 ILE A 6 -7.217 -4.500 0.054 1.00 0.00 C ATOM 104 CG2 ILE A 6 -6.286 -6.694 -0.771 1.00 0.00 C ATOM 105 CD1 ILE A 6 -8.222 -4.497 -1.056 1.00 0.00 C ATOM 0 H ILE A 6 -4.601 -7.348 0.968 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.336 -4.412 0.940 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.439 -4.763 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.673 -4.931 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.952 -3.471 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.970 -6.633 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.371 -7.199 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.756 -7.256 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.100 -3.928 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.783 -4.040 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.516 -5.522 -1.284 1.00 0.00 H new ATOM 117 N SER A 7 -5.590 -4.232 3.067 1.00 0.00 N ATOM 118 CA SER A 7 -6.351 -4.078 4.320 1.00 0.00 C ATOM 119 C SER A 7 -6.974 -2.693 4.434 1.00 0.00 C ATOM 120 O SER A 7 -6.614 -1.764 3.701 1.00 0.00 O ATOM 121 CB SER A 7 -5.476 -4.271 5.543 1.00 0.00 C ATOM 122 OG SER A 7 -4.625 -5.373 5.363 1.00 0.00 O ATOM 0 H SER A 7 -4.915 -3.488 2.891 1.00 0.00 H new ATOM 0 HA SER A 7 -7.125 -4.845 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.886 -3.372 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.099 -4.424 6.424 1.00 0.00 H new ATOM 0 HG SER A 7 -4.064 -5.486 6.158 1.00 0.00 H new HETATM 128 N DTH A 8 -7.851 -2.548 5.423 1.00 0.00 N HETATM 129 CA DTH A 8 -8.550 -1.290 5.659 1.00 0.00 C HETATM 130 CB DTH A 8 -8.366 -0.745 7.097 1.00 0.00 C HETATM 131 CG2 DTH A 8 -6.887 -0.603 7.399 1.00 0.00 C HETATM 132 OG1 DTH A 8 -8.986 -1.613 8.055 1.00 0.00 O HETATM 133 C DTH A 8 -10.053 -1.455 5.442 1.00 0.00 C HETATM 134 O DTH A 8 -10.784 -0.473 5.299 1.00 0.00 O HETATM 0 HG23 DTH A 8 -6.403 -1.576 7.315 1.00 0.00 H new HETATM 0 HG22 DTH A 8 -6.435 0.089 6.688 1.00 0.00 H new HETATM 0 HG21 DTH A 8 -6.757 -0.219 8.411 1.00 0.00 H new HETATM 0 HB DTH A 8 -8.846 0.231 7.166 1.00 0.00 H new HETATM 0 HA DTH A 8 -8.112 -0.588 4.950 1.00 0.00 H new ATOM 141 N ALA A 9 -10.510 -2.722 5.431 1.00 0.00 N ATOM 142 CA ALA A 9 -11.927 -3.048 5.250 1.00 0.00 C ATOM 143 C ALA A 9 -12.640 -2.830 6.565 1.00 0.00 C ATOM 144 O ALA A 9 -13.382 -1.866 6.742 1.00 0.00 O ATOM 145 CB ALA A 9 -12.120 -4.503 4.817 1.00 0.00 C ATOM 0 H ALA A 9 -9.909 -3.538 5.547 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.333 -2.406 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.183 -4.708 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.605 -4.673 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.709 -5.167 5.578 1.00 0.00 H new ATOM 151 N LEU A 10 -12.356 -3.727 7.502 1.00 0.00 N ATOM 152 CA LEU A 10 -12.950 -3.677 8.820 1.00 0.00 C ATOM 153 C LEU A 10 -12.161 -2.716 9.674 1.00 0.00 C ATOM 154 O LEU A 10 -12.714 -1.891 10.399 1.00 0.00 O ATOM 155 CB LEU A 10 -12.958 -5.071 9.453 1.00 0.00 C ATOM 156 CG LEU A 10 -13.538 -6.202 8.589 1.00 0.00 C ATOM 157 CD1 LEU A 10 -14.428 -5.620 7.520 1.00 0.00 C ATOM 158 CD2 LEU A 10 -12.457 -7.084 7.953 1.00 0.00 C ATOM 0 H LEU A 10 -11.710 -4.504 7.364 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.982 -3.335 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.934 -5.333 9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.526 -5.023 10.382 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.118 -6.846 9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.837 -6.425 6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.244 -5.068 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.847 -4.946 6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.929 -7.864 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.819 -6.474 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.854 -7.542 8.737 1.00 0.00 H new ATOM 170 N ILE A 11 -10.855 -2.835 9.571 1.00 0.00 N ATOM 171 CA ILE A 11 -9.964 -1.954 10.300 1.00 0.00 C ATOM 172 C ILE A 11 -9.285 -1.019 9.319 1.00 0.00 C ATOM 173 O ILE A 11 -9.044 0.155 9.598 1.00 0.00 O ATOM 174 CB ILE A 11 -8.916 -2.727 11.123 1.00 0.00 C ATOM 175 CG1 ILE A 11 -9.606 -3.750 12.026 1.00 0.00 C ATOM 176 CG2 ILE A 11 -8.095 -1.760 11.962 1.00 0.00 C ATOM 177 CD1 ILE A 11 -8.662 -4.756 12.644 1.00 0.00 C ATOM 0 H ILE A 11 -10.386 -3.531 8.991 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.559 -1.383 11.013 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.251 -3.254 10.439 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.131 -3.222 12.822 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.360 -4.282 11.446 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.357 -2.316 12.540 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.585 -1.053 11.308 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.753 -1.217 12.640 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.226 -5.447 13.270 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.155 -5.312 11.855 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.923 -4.235 13.253 1.00 0.00 H new TER 189 ILE A 11 HETATM 190 N ZAE B 1 -7.625 5.150 3.527 1.00 0.00 N HETATM 191 CA ZAE B 1 -8.569 4.083 3.035 1.00 0.00 C HETATM 192 C ZAE B 1 -7.860 2.739 2.855 1.00 0.00 C HETATM 193 O ZAE B 1 -7.750 1.976 3.819 1.00 0.00 O HETATM 194 CB ZAE B 1 -9.749 3.908 4.021 1.00 0.00 C HETATM 195 CG ZAE B 1 -10.941 3.161 3.446 1.00 0.00 C HETATM 196 CD1 ZAE B 1 -12.129 3.826 3.172 1.00 0.00 C HETATM 197 CD2 ZAE B 1 -10.906 1.774 3.278 1.00 0.00 C HETATM 198 CE1 ZAE B 1 -13.219 3.143 2.651 1.00 0.00 C HETATM 199 CE2 ZAE B 1 -11.998 1.091 2.751 1.00 0.00 C HETATM 200 CZ ZAE B 1 -13.167 1.773 2.485 1.00 0.00 C HETATM 201 C10 ZAE B 1 -7.167 4.869 4.902 1.00 0.00 C HETATM 0 HZ ZAE B 1 -14.049 1.231 2.144 1.00 0.00 H new HETATM 0 HE2 ZAE B 1 -11.930 0.022 2.549 1.00 0.00 H new HETATM 0 HE1 ZAE B 1 -14.120 3.690 2.372 1.00 0.00 H new HETATM 0 HD2 ZAE B 1 -10.012 1.220 3.563 1.00 0.00 H new HETATM 0 HD1 ZAE B 1 -12.206 4.895 3.368 1.00 0.00 H new HETATM 0 HB3 ZAE B 1 -9.394 3.376 4.904 1.00 0.00 H new HETATM 0 HB2 ZAE B 1 -10.078 4.893 4.353 1.00 0.00 H new HETATM 0 HA ZAE B 1 -8.944 4.408 2.065 1.00 0.00 H new HETATM 0 H13 ZAE B 1 -8.027 4.832 5.571 1.00 0.00 H new HETATM 0 H12 ZAE B 1 -6.648 3.911 4.924 1.00 0.00 H new HETATM 0 H11 ZAE B 1 -6.488 5.657 5.227 1.00 0.00 H new HETATM 0 H ZAE B 1 -7.339 5.962 2.980 1.00 0.00 H new ATOM 215 N ILE B 2 -7.330 2.443 1.654 1.00 0.00 N ATOM 216 CA ILE B 2 -6.707 1.133 1.467 1.00 0.00 C ATOM 217 C ILE B 2 -5.237 1.135 1.850 1.00 0.00 C ATOM 218 O ILE B 2 -4.435 1.957 1.343 1.00 0.00 O ATOM 219 CB ILE B 2 -6.874 0.588 0.019 1.00 0.00 C ATOM 220 CG1 ILE B 2 -6.549 -0.921 -0.026 1.00 0.00 C ATOM 221 CG2 ILE B 2 -5.985 1.388 -0.933 1.00 0.00 C ATOM 222 CD1 ILE B 2 -5.700 -1.328 -1.202 1.00 0.00 C ATOM 0 H ILE B 2 -7.321 3.060 0.842 1.00 0.00 H new ATOM 0 HA ILE B 2 -7.240 0.463 2.142 1.00 0.00 H new ATOM 0 HB ILE B 2 -7.909 0.707 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -6.035 -1.200 0.894 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -7.483 -1.483 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.102 1.006 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.275 2.438 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -4.944 1.291 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -5.515 -2.402 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -6.220 -1.083 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -4.750 -0.795 -1.167 1.00 0.00 H new ATOM 234 N SER B 3 -4.904 0.167 2.731 1.00 0.00 N ATOM 235 CA SER B 3 -3.546 -0.021 3.196 1.00 0.00 C ATOM 236 C SER B 3 -3.045 -1.412 2.937 1.00 0.00 C ATOM 237 O SER B 3 -3.803 -2.367 2.727 1.00 0.00 O ATOM 238 CB SER B 3 -3.362 0.316 4.673 1.00 0.00 C ATOM 239 OG SER B 3 -4.233 -0.401 5.537 1.00 0.00 O ATOM 0 H SER B 3 -5.575 -0.492 3.127 1.00 0.00 H new ATOM 0 HA SER B 3 -2.953 0.685 2.615 1.00 0.00 H new ATOM 0 HB2 SER B 3 -2.331 0.108 4.958 1.00 0.00 H new ATOM 0 HB3 SER B 3 -3.523 1.385 4.815 1.00 0.00 H new ATOM 0 HG SER B 3 -4.061 -0.139 6.466 1.00 0.00 H new HETATM 245 N DAR B 4 -1.740 -1.488 2.973 1.00 0.00 N HETATM 246 CA DAR B 4 -1.034 -2.707 2.730 1.00 0.00 C HETATM 247 CB DAR B 4 -0.300 -3.206 3.962 1.00 0.00 C HETATM 248 CG DAR B 4 -0.749 -2.565 5.247 1.00 0.00 C HETATM 249 CD DAR B 4 -0.595 -3.545 6.374 1.00 0.00 C HETATM 250 NE DAR B 4 -0.757 -2.927 7.671 1.00 0.00 N HETATM 251 CZ DAR B 4 -1.889 -2.967 8.340 1.00 0.00 C HETATM 252 NH1 DAR B 4 -1.984 -2.371 9.511 1.00 0.00 N HETATM 253 NH2 DAR B 4 -2.945 -3.576 7.816 1.00 0.00 N HETATM 254 C DAR B 4 -0.026 -2.432 1.695 1.00 0.00 C HETATM 255 O DAR B 4 0.611 -1.370 1.727 1.00 0.00 O HETATM 0 HH22 DAR B 4 -3.824 -3.608 8.333 1.00 0.00 H new HETATM 0 HH21 DAR B 4 -2.878 -4.012 6.896 1.00 0.00 H new HETATM 0 HH12 DAR B 4 -2.862 -2.402 10.029 1.00 0.00 H new HETATM 0 HH11 DAR B 4 -1.180 -1.878 9.899 1.00 0.00 H new HETATM 0 HG3 DAR B 4 -0.159 -1.670 5.445 1.00 0.00 H new HETATM 0 HG2 DAR B 4 -1.789 -2.249 5.165 1.00 0.00 H new HETATM 0 HE DAR B 4 0.039 -2.440 8.084 1.00 0.00 H new HETATM 0 HD3 DAR B 4 -1.329 -4.342 6.261 1.00 0.00 H new HETATM 0 HD2 DAR B 4 0.390 -4.008 6.316 1.00 0.00 H new HETATM 0 HB3 DAR B 4 -0.435 -4.285 4.040 1.00 0.00 H new HETATM 0 HB2 DAR B 4 0.767 -3.027 3.833 1.00 0.00 H new HETATM 0 HA DAR B 4 -1.756 -3.468 2.433 1.00 0.00 H new HETATM 269 N 28J B 5 0.080 -3.344 0.764 1.00 0.00 N HETATM 270 CA 28J B 5 1.047 -3.208 -0.259 1.00 0.00 C HETATM 271 CB 28J B 5 0.528 -2.424 -1.477 1.00 0.00 C HETATM 272 CG2 28J B 5 1.680 -1.877 -2.302 1.00 0.00 C HETATM 273 CG1 28J B 5 -0.360 -3.310 -2.357 1.00 0.00 C HETATM 274 CD1 28J B 5 -0.964 -2.577 -3.539 1.00 0.00 C HETATM 275 C 28J B 5 1.492 -4.568 -0.708 1.00 0.00 C HETATM 276 O 28J B 5 0.794 -5.578 -0.493 1.00 0.00 O ATOM 287 N ILE B 6 2.728 -4.601 -1.154 1.00 0.00 N ATOM 288 CA ILE B 6 3.274 -5.794 -1.757 1.00 0.00 C ATOM 289 C ILE B 6 4.793 -5.819 -1.597 1.00 0.00 C ATOM 290 O ILE B 6 5.447 -4.754 -1.489 1.00 0.00 O ATOM 291 CB ILE B 6 2.758 -5.927 -3.254 1.00 0.00 C ATOM 292 CG1 ILE B 6 3.504 -6.995 -4.078 1.00 0.00 C ATOM 293 CG2 ILE B 6 2.716 -4.609 -4.068 1.00 0.00 C ATOM 294 CD1 ILE B 6 4.514 -6.498 -5.081 1.00 0.00 C ATOM 0 H ILE B 6 3.374 -3.813 -1.110 1.00 0.00 H new ATOM 0 HA ILE B 6 2.916 -6.685 -1.242 1.00 0.00 H new ATOM 0 HB ILE B 6 1.727 -6.245 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE B 6 4.015 -7.663 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE B 6 2.763 -7.592 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE B 6 2.349 -4.814 -5.074 1.00 0.00 H new ATOM 0 HG22 ILE B 6 2.050 -3.899 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.719 -4.185 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.967 -7.347 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE B 6 4.018 -5.857 -5.810 1.00 0.00 H new ATOM 0 HD13 ILE B 6 5.289 -5.930 -4.566 1.00 0.00 H new ATOM 306 N SER B 7 5.331 -7.017 -1.399 1.00 0.00 N ATOM 307 CA SER B 7 6.763 -7.165 -1.269 1.00 0.00 C ATOM 308 C SER B 7 7.188 -8.601 -1.419 1.00 0.00 C ATOM 309 O SER B 7 6.364 -9.501 -1.605 1.00 0.00 O ATOM 310 CB SER B 7 7.205 -6.772 0.102 1.00 0.00 C ATOM 311 OG SER B 7 6.188 -7.104 1.033 1.00 0.00 O ATOM 0 H SER B 7 4.800 -7.885 -1.327 1.00 0.00 H new ATOM 0 HA SER B 7 7.202 -6.538 -2.045 1.00 0.00 H new ATOM 0 HB2 SER B 7 8.132 -7.285 0.359 1.00 0.00 H new ATOM 0 HB3 SER B 7 7.412 -5.702 0.138 1.00 0.00 H new ATOM 0 HG SER B 7 5.490 -6.416 1.015 1.00 0.00 H new HETATM 317 N DTH B 8 8.466 -8.814 -1.226 1.00 0.00 N HETATM 318 CA DTH B 8 9.032 -10.151 -1.289 1.00 0.00 C HETATM 319 CB DTH B 8 10.006 -10.475 -0.128 1.00 0.00 C HETATM 320 CG2 DTH B 8 9.300 -10.390 1.212 1.00 0.00 C HETATM 321 OG1 DTH B 8 11.149 -9.608 -0.134 1.00 0.00 O HETATM 322 C DTH B 8 9.882 -10.311 -2.553 1.00 0.00 C HETATM 323 O DTH B 8 10.335 -11.418 -2.842 1.00 0.00 O HETATM 0 HG23 DTH B 8 8.909 -9.382 1.354 1.00 0.00 H new HETATM 0 HG22 DTH B 8 8.477 -11.105 1.236 1.00 0.00 H new HETATM 0 HG21 DTH B 8 10.005 -10.622 2.010 1.00 0.00 H new HETATM 0 HB DTH B 8 10.355 -11.496 -0.281 1.00 0.00 H new HETATM 0 HA DTH B 8 8.166 -10.812 -1.253 1.00 0.00 H new HETATM 0 H DTH B 8 8.722 -8.187 -0.463 1.00 0.00 H new ATOM 330 N ALA B 9 10.152 -9.202 -3.235 1.00 0.00 N ATOM 331 CA ALA B 9 11.038 -9.198 -4.384 1.00 0.00 C ATOM 332 C ALA B 9 12.468 -9.390 -3.885 1.00 0.00 C ATOM 333 O ALA B 9 12.991 -10.497 -3.943 1.00 0.00 O ATOM 334 CB ALA B 9 10.875 -7.905 -5.183 1.00 0.00 C ATOM 0 H ALA B 9 9.763 -8.288 -3.005 1.00 0.00 H new ATOM 0 HA ALA B 9 10.788 -10.014 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.547 -7.920 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA B 9 9.845 -7.819 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA B 9 11.116 -7.052 -4.548 1.00 0.00 H new ATOM 340 N LEU B 10 13.076 -8.322 -3.336 1.00 0.00 N ATOM 341 CA LEU B 10 14.451 -8.421 -2.806 1.00 0.00 C ATOM 342 C LEU B 10 14.432 -9.078 -1.464 1.00 0.00 C ATOM 343 O LEU B 10 15.195 -9.999 -1.182 1.00 0.00 O ATOM 344 CB LEU B 10 15.127 -7.059 -2.626 1.00 0.00 C ATOM 345 CG LEU B 10 14.203 -5.906 -2.301 1.00 0.00 C ATOM 346 CD1 LEU B 10 14.079 -5.765 -0.797 1.00 0.00 C ATOM 347 CD2 LEU B 10 14.700 -4.629 -2.933 1.00 0.00 C ATOM 0 H LEU B 10 12.650 -7.400 -3.248 1.00 0.00 H new ATOM 0 HA LEU B 10 15.012 -8.999 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU B 10 15.867 -7.143 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU B 10 15.669 -6.819 -3.541 1.00 0.00 H new ATOM 0 HG LEU B 10 13.215 -6.110 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU B 10 13.413 -4.934 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU B 10 13.672 -6.685 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU B 10 15.062 -5.574 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU B 10 14.021 -3.813 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU B 10 15.696 -4.399 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU B 10 14.743 -4.751 -4.015 1.00 0.00 H new ATOM 359 N ILE B 11 13.556 -8.582 -0.629 1.00 0.00 N ATOM 360 CA ILE B 11 13.432 -9.128 0.697 1.00 0.00 C ATOM 361 C ILE B 11 12.216 -10.029 0.728 1.00 0.00 C ATOM 362 O ILE B 11 12.179 -11.050 1.413 1.00 0.00 O ATOM 363 CB ILE B 11 13.339 -8.034 1.789 1.00 0.00 C ATOM 364 CG1 ILE B 11 14.721 -7.443 2.103 1.00 0.00 C ATOM 365 CG2 ILE B 11 12.740 -8.619 3.055 1.00 0.00 C ATOM 366 CD1 ILE B 11 14.707 -6.409 3.214 1.00 0.00 C ATOM 0 H ILE B 11 12.924 -7.809 -0.840 1.00 0.00 H new ATOM 0 HA ILE B 11 14.334 -9.697 0.924 1.00 0.00 H new ATOM 0 HB ILE B 11 12.700 -7.235 1.412 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.397 -8.252 2.380 1.00 0.00 H new ATOM 0 HG13 ILE B 11 15.124 -6.986 1.199 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.677 -7.845 3.819 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.741 -9.001 2.842 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.371 -9.432 3.414 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.719 -6.038 3.378 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.058 -5.580 2.932 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.335 -6.865 4.131 1.00 0.00 H new TER 378 ILE B 11 HETATM 379 N ZAE E 1 6.824 -5.359 3.067 1.00 0.00 N HETATM 380 CA ZAE E 1 7.732 -4.368 2.386 1.00 0.00 C HETATM 381 C ZAE E 1 7.035 -3.029 2.143 1.00 0.00 C HETATM 382 O ZAE E 1 6.957 -2.216 3.063 1.00 0.00 O HETATM 383 CB ZAE E 1 8.998 -4.136 3.233 1.00 0.00 C HETATM 384 CG ZAE E 1 10.189 -3.647 2.446 1.00 0.00 C HETATM 385 CD1 ZAE E 1 11.262 -4.492 2.190 1.00 0.00 C HETATM 386 CD2 ZAE E 1 10.263 -2.324 2.010 1.00 0.00 C HETATM 387 CE1 ZAE E 1 12.356 -4.045 1.470 1.00 0.00 C HETATM 388 CE2 ZAE E 1 11.356 -1.874 1.288 1.00 0.00 C HETATM 389 CZ ZAE E 1 12.413 -2.727 1.042 1.00 0.00 C HETATM 390 C10 ZAE E 1 6.385 -4.885 4.399 1.00 0.00 C HETATM 0 HZ ZAE E 1 13.293 -2.364 0.511 1.00 0.00 H new HETATM 0 HE2 ZAE E 1 11.381 -0.850 0.915 1.00 0.00 H new HETATM 0 HE1 ZAE E 1 13.173 -4.729 1.239 1.00 0.00 H new HETATM 0 HD2 ZAE E 1 9.450 -1.635 2.240 1.00 0.00 H new HETATM 0 HD1 ZAE E 1 11.242 -5.517 2.560 1.00 0.00 H new HETATM 0 HB3 ZAE E 1 8.771 -3.411 4.014 1.00 0.00 H new HETATM 0 HB2 ZAE E 1 9.264 -5.068 3.731 1.00 0.00 H new HETATM 0 HA ZAE E 1 8.004 -4.791 1.419 1.00 0.00 H new HETATM 0 H13 ZAE E 1 7.256 -4.729 5.035 1.00 0.00 H new HETATM 0 H12 ZAE E 1 5.843 -3.946 4.290 1.00 0.00 H new HETATM 0 H11 ZAE E 1 5.732 -5.630 4.854 1.00 0.00 H new HETATM 0 H ZAE E 1 6.545 -6.251 2.659 1.00 0.00 H new ATOM 404 N ILE E 2 6.499 -2.786 0.925 1.00 0.00 N ATOM 405 CA ILE E 2 5.862 -1.488 0.682 1.00 0.00 C ATOM 406 C ILE E 2 4.447 -1.463 1.206 1.00 0.00 C ATOM 407 O ILE E 2 3.561 -2.197 0.716 1.00 0.00 O ATOM 408 CB ILE E 2 5.882 -1.055 -0.816 1.00 0.00 C ATOM 409 CG1 ILE E 2 5.504 0.448 -0.979 1.00 0.00 C ATOM 410 CG2 ILE E 2 4.972 -1.949 -1.659 1.00 0.00 C ATOM 411 CD1 ILE E 2 5.416 0.949 -2.421 1.00 0.00 C ATOM 0 H ILE E 2 6.496 -3.436 0.139 1.00 0.00 H new ATOM 0 HA ILE E 2 6.463 -0.763 1.231 1.00 0.00 H new ATOM 0 HB ILE E 2 6.902 -1.177 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE E 2 4.543 0.618 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE E 2 6.241 1.050 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE E 2 5.005 -1.624 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE E 2 5.312 -2.982 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE E 2 3.949 -1.878 -1.289 1.00 0.00 H new ATOM 0 HD11 ILE E 2 5.147 2.005 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE E 2 6.381 0.819 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE E 2 4.657 0.380 -2.958 1.00 0.00 H new ATOM 423 N SER E 3 4.226 -0.513 2.135 1.00 0.00 N ATOM 424 CA SER E 3 2.931 -0.347 2.745 1.00 0.00 C ATOM 425 C SER E 3 2.355 1.052 2.536 1.00 0.00 C ATOM 426 O SER E 3 3.022 1.988 2.045 1.00 0.00 O ATOM 427 CB SER E 3 3.015 -0.615 4.213 1.00 0.00 C ATOM 428 OG SER E 3 4.076 -1.501 4.506 1.00 0.00 O ATOM 0 H SER E 3 4.937 0.140 2.466 1.00 0.00 H new ATOM 0 HA SER E 3 2.267 -1.062 2.260 1.00 0.00 H new ATOM 0 HB2 SER E 3 3.161 0.322 4.750 1.00 0.00 H new ATOM 0 HB3 SER E 3 2.074 -1.040 4.563 1.00 0.00 H new ATOM 0 HG SER E 3 4.112 -1.660 5.472 1.00 0.00 H new HETATM 434 N DAR E 4 1.073 1.141 2.804 1.00 0.00 N HETATM 435 CA DAR E 4 0.365 2.394 2.744 1.00 0.00 C HETATM 436 CB DAR E 4 -0.229 2.763 4.117 1.00 0.00 C HETATM 437 CG DAR E 4 0.351 1.988 5.301 1.00 0.00 C HETATM 438 CD DAR E 4 1.384 2.820 6.033 1.00 0.00 C HETATM 439 NE DAR E 4 1.642 2.379 7.401 1.00 0.00 N HETATM 440 CZ DAR E 4 2.842 2.482 7.965 1.00 0.00 C HETATM 441 NH1 DAR E 4 3.046 2.056 9.204 1.00 0.00 N HETATM 442 NH2 DAR E 4 3.844 3.012 7.272 1.00 0.00 N HETATM 443 C DAR E 4 -0.734 2.178 1.766 1.00 0.00 C HETATM 444 O DAR E 4 -1.417 1.153 1.868 1.00 0.00 O HETATM 0 HH22 DAR E 4 4.768 3.096 7.695 1.00 0.00 H new HETATM 0 HH21 DAR E 4 3.689 3.335 6.317 1.00 0.00 H new HETATM 0 HH12 DAR E 4 3.971 2.140 9.626 1.00 0.00 H new HETATM 0 HH11 DAR E 4 2.278 1.644 9.735 1.00 0.00 H new HETATM 0 HG3 DAR E 4 -0.449 1.709 5.986 1.00 0.00 H new HETATM 0 HG2 DAR E 4 0.806 1.063 4.948 1.00 0.00 H new HETATM 0 HE DAR E 4 0.876 1.978 7.942 1.00 0.00 H new HETATM 0 HD3 DAR E 4 2.318 2.796 5.472 1.00 0.00 H new HETATM 0 HD2 DAR E 4 1.051 3.858 6.054 1.00 0.00 H new HETATM 0 HB3 DAR E 4 -0.075 3.828 4.289 1.00 0.00 H new HETATM 0 HB2 DAR E 4 -1.306 2.598 4.086 1.00 0.00 H new HETATM 0 HA DAR E 4 1.030 3.208 2.455 1.00 0.00 H new HETATM 458 N 28J E 5 -0.905 3.053 0.789 1.00 0.00 N HETATM 459 CA 28J E 5 -1.956 2.810 -0.135 1.00 0.00 C HETATM 460 CB 28J E 5 -1.487 1.970 -1.324 1.00 0.00 C HETATM 461 CG2 28J E 5 -2.691 1.299 -1.955 1.00 0.00 C HETATM 462 CG1 28J E 5 -0.766 2.863 -2.332 1.00 0.00 C HETATM 463 CD1 28J E 5 -0.034 2.088 -3.391 1.00 0.00 C HETATM 464 C 28J E 5 -2.546 4.101 -0.621 1.00 0.00 C HETATM 465 O 28J E 5 -1.907 5.147 -0.625 1.00 0.00 O ATOM 476 N ILE E 6 -3.808 4.093 -0.914 1.00 0.00 N ATOM 477 CA ILE E 6 -4.342 5.315 -1.456 1.00 0.00 C ATOM 478 C ILE E 6 -5.816 5.477 -1.120 1.00 0.00 C ATOM 479 O ILE E 6 -6.525 4.453 -0.923 1.00 0.00 O ATOM 480 CB ILE E 6 -4.007 5.530 -2.996 1.00 0.00 C ATOM 481 CG1 ILE E 6 -4.346 4.244 -3.761 1.00 0.00 C ATOM 482 CG2 ILE E 6 -2.579 6.044 -3.323 1.00 0.00 C ATOM 483 CD1 ILE E 6 -4.960 4.532 -5.120 1.00 0.00 C ATOM 0 H ILE E 6 -4.457 3.314 -0.800 1.00 0.00 H new ATOM 0 HA ILE E 6 -3.820 6.132 -0.957 1.00 0.00 H new ATOM 0 HB ILE E 6 -4.635 6.356 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE E 6 -3.441 3.651 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE E 6 -5.038 3.644 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE E 6 -2.469 6.151 -4.402 1.00 0.00 H new ATOM 0 HG22 ILE E 6 -2.422 7.010 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE E 6 -1.842 5.331 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE E 6 -5.183 3.592 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE E 6 -5.880 5.102 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE E 6 -4.258 5.109 -5.722 1.00 0.00 H new ATOM 495 N SER E 7 -6.239 6.744 -0.905 1.00 0.00 N ATOM 496 CA SER E 7 -7.605 7.012 -0.634 1.00 0.00 C ATOM 497 C SER E 7 -7.956 8.486 -0.759 1.00 0.00 C ATOM 498 O SER E 7 -7.211 9.337 -1.322 1.00 0.00 O ATOM 499 CB SER E 7 -7.961 6.479 0.733 1.00 0.00 C ATOM 500 OG SER E 7 -7.016 6.817 1.699 1.00 0.00 O ATOM 0 H SER E 7 -5.635 7.566 -0.921 1.00 0.00 H new ATOM 0 HA SER E 7 -8.199 6.500 -1.391 1.00 0.00 H new ATOM 0 HB2 SER E 7 -8.935 6.869 1.029 1.00 0.00 H new ATOM 0 HB3 SER E 7 -8.054 5.394 0.684 1.00 0.00 H new ATOM 0 HG SER E 7 -6.252 6.207 1.636 1.00 0.00 H new HETATM 506 N DTH E 8 -9.178 8.717 -0.297 1.00 0.00 N HETATM 507 CA DTH E 8 -9.791 9.994 -0.248 1.00 0.00 C HETATM 508 CB DTH E 8 -10.521 10.308 1.089 1.00 0.00 C HETATM 509 CG2 DTH E 8 -9.601 10.087 2.294 1.00 0.00 C HETATM 510 OG1 DTH E 8 -11.708 9.510 1.175 1.00 0.00 O HETATM 511 C DTH E 8 -10.912 10.258 -1.262 1.00 0.00 C HETATM 512 O DTH E 8 -11.444 11.322 -1.047 1.00 0.00 O HETATM 0 HG23 DTH E 8 -9.273 9.048 2.315 1.00 0.00 H new HETATM 0 HG22 DTH E 8 -8.732 10.740 2.213 1.00 0.00 H new HETATM 0 HG21 DTH E 8 -10.143 10.315 3.212 1.00 0.00 H new HETATM 0 HB DTH E 8 -10.803 11.361 1.104 1.00 0.00 H new HETATM 0 HA DTH E 8 -8.906 10.602 -0.437 1.00 0.00 H new HETATM 0 H DTH E 8 -9.239 8.091 0.506 1.00 0.00 H new ATOM 519 N ALA E 9 -11.350 9.224 -2.127 1.00 0.00 N ATOM 520 CA ALA E 9 -12.464 9.163 -3.158 1.00 0.00 C ATOM 521 C ALA E 9 -13.902 9.328 -2.649 1.00 0.00 C ATOM 522 O ALA E 9 -14.702 10.129 -3.166 1.00 0.00 O ATOM 523 CB ALA E 9 -12.464 7.787 -3.774 1.00 0.00 C ATOM 0 H ALA E 9 -10.865 8.327 -2.099 1.00 0.00 H new ATOM 0 HA ALA E 9 -12.241 10.001 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA E 9 -13.258 7.722 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA E 9 -11.502 7.602 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA E 9 -12.632 7.041 -2.998 1.00 0.00 H new ATOM 529 N LEU E 10 -14.220 8.478 -1.712 1.00 0.00 N ATOM 530 CA LEU E 10 -15.574 8.402 -1.105 1.00 0.00 C ATOM 531 C LEU E 10 -15.473 8.910 0.307 1.00 0.00 C ATOM 532 O LEU E 10 -16.420 9.452 0.888 1.00 0.00 O ATOM 533 CB LEU E 10 -16.119 6.937 -1.035 1.00 0.00 C ATOM 534 CG LEU E 10 -15.116 5.788 -1.199 1.00 0.00 C ATOM 535 CD1 LEU E 10 -14.445 5.906 -2.533 1.00 0.00 C ATOM 536 CD2 LEU E 10 -14.085 5.773 -0.083 1.00 0.00 C ATOM 0 H LEU E 10 -13.561 7.802 -1.327 1.00 0.00 H new ATOM 0 HA LEU E 10 -16.252 8.991 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU E 10 -16.617 6.811 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU E 10 -16.882 6.827 -1.806 1.00 0.00 H new ATOM 0 HG LEU E 10 -15.661 4.846 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU E 10 -13.731 5.091 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU E 10 -15.194 5.853 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU E 10 -13.921 6.860 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU E 10 -13.394 4.944 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU E 10 -13.532 6.712 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU E 10 -14.589 5.652 0.876 1.00 0.00 H new ATOM 548 N ILE E 11 -14.245 8.799 0.800 1.00 0.00 N ATOM 549 CA ILE E 11 -13.919 9.119 2.189 1.00 0.00 C ATOM 550 C ILE E 11 -12.633 9.928 2.178 1.00 0.00 C ATOM 551 O ILE E 11 -12.418 10.838 2.977 1.00 0.00 O ATOM 552 CB ILE E 11 -13.722 7.856 3.123 1.00 0.00 C ATOM 553 CG1 ILE E 11 -15.039 7.302 3.735 1.00 0.00 C ATOM 554 CG2 ILE E 11 -12.790 8.223 4.260 1.00 0.00 C ATOM 555 CD1 ILE E 11 -14.952 5.849 4.215 1.00 0.00 C ATOM 0 H ILE E 11 -13.446 8.485 0.250 1.00 0.00 H new ATOM 0 HA ILE E 11 -14.765 9.667 2.604 1.00 0.00 H new ATOM 0 HB ILE E 11 -13.313 7.071 2.487 1.00 0.00 H new ATOM 0 HG12 ILE E 11 -15.328 7.933 4.576 1.00 0.00 H new ATOM 0 HG13 ILE E 11 -15.832 7.379 2.991 1.00 0.00 H new ATOM 0 HG21 ILE E 11 -12.649 7.358 4.908 1.00 0.00 H new ATOM 0 HG22 ILE E 11 -11.827 8.534 3.855 1.00 0.00 H new ATOM 0 HG23 ILE E 11 -13.223 9.041 4.836 1.00 0.00 H new ATOM 0 HD11 ILE E 11 -15.914 5.544 4.627 1.00 0.00 H new ATOM 0 HD12 ILE E 11 -14.696 5.203 3.375 1.00 0.00 H new ATOM 0 HD13 ILE E 11 -14.184 5.765 4.984 1.00 0.00 H new TER 567 ILE E 11 HETATM 568 N ZAE F 1 -7.159 15.854 -2.989 1.00 0.00 N HETATM 569 CA ZAE F 1 -7.797 14.699 -3.710 1.00 0.00 C HETATM 570 C ZAE F 1 -7.405 13.334 -3.102 1.00 0.00 C HETATM 571 O ZAE F 1 -8.020 12.874 -2.142 1.00 0.00 O HETATM 572 CB ZAE F 1 -9.327 14.845 -3.703 1.00 0.00 C HETATM 573 CG ZAE F 1 -10.028 14.017 -4.750 1.00 0.00 C HETATM 574 CD1 ZAE F 1 -10.002 14.387 -6.093 1.00 0.00 C HETATM 575 CD2 ZAE F 1 -10.723 12.867 -4.390 1.00 0.00 C HETATM 576 CE1 ZAE F 1 -10.659 13.624 -7.051 1.00 0.00 C HETATM 577 CE2 ZAE F 1 -11.377 12.104 -5.343 1.00 0.00 C HETATM 578 CZ ZAE F 1 -11.344 12.481 -6.673 1.00 0.00 C HETATM 579 C10 ZAE F 1 -7.588 15.919 -1.582 1.00 0.00 C HETATM 0 HZ ZAE F 1 -11.857 11.879 -7.423 1.00 0.00 H new HETATM 0 HE2 ZAE F 1 -11.918 11.206 -5.045 1.00 0.00 H new HETATM 0 HE1 ZAE F 1 -10.635 13.925 -8.098 1.00 0.00 H new HETATM 0 HD2 ZAE F 1 -10.753 12.562 -3.344 1.00 0.00 H new HETATM 0 HD1 ZAE F 1 -9.461 15.284 -6.395 1.00 0.00 H new HETATM 0 HB3 ZAE F 1 -9.704 14.563 -2.720 1.00 0.00 H new HETATM 0 HB2 ZAE F 1 -9.582 15.894 -3.854 1.00 0.00 H new HETATM 0 HA ZAE F 1 -7.426 14.723 -4.735 1.00 0.00 H new HETATM 0 H13 ZAE F 1 -8.670 16.041 -1.537 1.00 0.00 H new HETATM 0 H12 ZAE F 1 -7.305 14.998 -1.073 1.00 0.00 H new HETATM 0 H11 ZAE F 1 -7.106 16.766 -1.094 1.00 0.00 H new HETATM 0 H ZAE F 1 -6.509 16.511 -3.421 1.00 0.00 H new ATOM 593 N ILE F 2 -6.371 12.707 -3.669 1.00 0.00 N ATOM 594 CA ILE F 2 -5.894 11.373 -3.226 1.00 0.00 C ATOM 595 C ILE F 2 -4.900 11.534 -2.055 1.00 0.00 C ATOM 596 O ILE F 2 -4.133 12.502 -2.041 1.00 0.00 O ATOM 597 CB ILE F 2 -5.261 10.633 -4.458 1.00 0.00 C ATOM 598 CG1 ILE F 2 -5.688 9.173 -4.567 1.00 0.00 C ATOM 599 CG2 ILE F 2 -3.734 10.719 -4.432 1.00 0.00 C ATOM 600 CD1 ILE F 2 -5.185 8.482 -5.792 1.00 0.00 C ATOM 0 H ILE F 2 -5.836 13.098 -4.445 1.00 0.00 H new ATOM 0 HA ILE F 2 -6.721 10.767 -2.856 1.00 0.00 H new ATOM 0 HB ILE F 2 -5.641 11.151 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE F 2 -5.334 8.635 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE F 2 -6.777 9.122 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE F 2 -3.325 10.197 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE F 2 -3.428 11.765 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE F 2 -3.359 10.256 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE F 2 -5.532 7.449 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE F 2 -5.561 8.993 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE F 2 -4.095 8.499 -5.798 1.00 0.00 H new ATOM 612 N SER F 3 -4.910 10.625 -1.056 1.00 0.00 N ATOM 613 CA SER F 3 -3.981 10.781 0.065 1.00 0.00 C ATOM 614 C SER F 3 -3.411 9.439 0.516 1.00 0.00 C ATOM 615 O SER F 3 -3.901 8.357 0.130 1.00 0.00 O ATOM 616 CB SER F 3 -4.639 11.560 1.232 1.00 0.00 C ATOM 617 OG SER F 3 -5.984 11.180 1.481 1.00 0.00 O ATOM 0 H SER F 3 -5.525 9.813 -1.007 1.00 0.00 H new ATOM 0 HA SER F 3 -3.137 11.376 -0.283 1.00 0.00 H new ATOM 0 HB2 SER F 3 -4.053 11.405 2.138 1.00 0.00 H new ATOM 0 HB3 SER F 3 -4.607 12.627 1.010 1.00 0.00 H new ATOM 0 HG SER F 3 -6.340 11.706 2.228 1.00 0.00 H new HETATM 623 N DAR F 4 -2.312 9.528 1.263 1.00 0.00 N HETATM 624 CA DAR F 4 -1.647 8.361 1.807 1.00 0.00 C HETATM 625 CB DAR F 4 -1.652 8.394 3.351 1.00 0.00 C HETATM 626 CG DAR F 4 -2.587 9.441 3.952 1.00 0.00 C HETATM 627 CD DAR F 4 -3.967 8.825 4.156 1.00 0.00 C HETATM 628 NE DAR F 4 -4.726 9.382 5.269 1.00 0.00 N HETATM 629 CZ DAR F 4 -6.038 9.545 5.225 1.00 0.00 C HETATM 630 NH1 DAR F 4 -6.649 10.058 6.282 1.00 0.00 N HETATM 631 NH2 DAR F 4 -6.718 9.164 4.134 1.00 0.00 N HETATM 632 C DAR F 4 -0.230 8.342 1.286 1.00 0.00 C HETATM 633 O DAR F 4 0.485 9.334 1.424 1.00 0.00 O HETATM 0 HH22 DAR F 4 -7.730 9.287 4.095 1.00 0.00 H new HETATM 0 HH21 DAR F 4 -6.224 8.751 3.343 1.00 0.00 H new HETATM 0 HH12 DAR F 4 -7.660 10.193 6.271 1.00 0.00 H new HETATM 0 HH11 DAR F 4 -6.109 10.318 7.107 1.00 0.00 H new HETATM 0 HG3 DAR F 4 -2.190 9.797 4.903 1.00 0.00 H new HETATM 0 HG2 DAR F 4 -2.656 10.306 3.292 1.00 0.00 H new HETATM 0 HE DAR F 4 -4.226 9.657 6.115 1.00 0.00 H new HETATM 0 HD3 DAR F 4 -4.545 8.952 3.241 1.00 0.00 H new HETATM 0 HD2 DAR F 4 -3.851 7.753 4.314 1.00 0.00 H new HETATM 0 HB3 DAR F 4 -1.939 7.411 3.723 1.00 0.00 H new HETATM 0 HB2 DAR F 4 -0.638 8.584 3.702 1.00 0.00 H new HETATM 0 HA DAR F 4 -2.175 7.459 1.498 1.00 0.00 H new HETATM 647 N 28J F 5 0.168 7.246 0.650 1.00 0.00 N HETATM 648 CA 28J F 5 1.521 7.157 0.120 1.00 0.00 C HETATM 649 CB 28J F 5 1.616 7.671 -1.366 1.00 0.00 C HETATM 650 CG2 28J F 5 3.058 8.043 -1.736 1.00 0.00 C HETATM 651 CG1 28J F 5 1.135 6.596 -2.350 1.00 0.00 C HETATM 652 CD1 28J F 5 1.108 7.040 -3.809 1.00 0.00 C HETATM 653 C 28J F 5 2.097 5.718 0.278 1.00 0.00 C HETATM 654 O 28J F 5 1.396 4.747 0.578 1.00 0.00 O ATOM 665 N ILE F 6 3.409 5.611 0.178 1.00 0.00 N ATOM 666 CA ILE F 6 4.096 4.320 0.276 1.00 0.00 C ATOM 667 C ILE F 6 5.187 4.360 1.360 1.00 0.00 C ATOM 668 O ILE F 6 5.927 5.342 1.443 1.00 0.00 O ATOM 669 CB ILE F 6 4.680 3.944 -1.123 1.00 0.00 C ATOM 670 CG1 ILE F 6 5.815 4.889 -1.541 1.00 0.00 C ATOM 671 CG2 ILE F 6 3.565 3.866 -2.199 1.00 0.00 C ATOM 672 CD1 ILE F 6 6.708 4.361 -2.605 1.00 0.00 C ATOM 0 H ILE F 6 4.032 6.405 0.028 1.00 0.00 H new ATOM 0 HA ILE F 6 3.385 3.549 0.574 1.00 0.00 H new ATOM 0 HB ILE F 6 5.116 2.949 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE F 6 5.379 5.827 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE F 6 6.418 5.121 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE F 6 4.005 3.602 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE F 6 2.836 3.108 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE F 6 3.069 4.833 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE F 6 7.478 5.098 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE F 6 7.178 3.440 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE F 6 6.124 4.157 -3.502 1.00 0.00 H new ATOM 684 N SER F 7 5.261 3.327 2.235 1.00 0.00 N ATOM 685 CA SER F 7 6.285 3.304 3.274 1.00 0.00 C ATOM 686 C SER F 7 6.611 1.889 3.692 1.00 0.00 C ATOM 687 O SER F 7 6.153 0.884 3.091 1.00 0.00 O ATOM 688 CB SER F 7 5.830 3.998 4.542 1.00 0.00 C ATOM 689 OG SER F 7 4.460 3.724 4.780 1.00 0.00 O ATOM 0 H SER F 7 4.634 2.523 2.233 1.00 0.00 H new ATOM 0 HA SER F 7 7.145 3.810 2.835 1.00 0.00 H new ATOM 0 HB2 SER F 7 6.429 3.659 5.387 1.00 0.00 H new ATOM 0 HB3 SER F 7 5.984 5.073 4.453 1.00 0.00 H new ATOM 0 HG SER F 7 4.006 4.546 5.061 1.00 0.00 H new HETATM 695 N DTH F 8 7.317 1.817 4.796 1.00 0.00 N HETATM 696 CA DTH F 8 7.696 0.546 5.349 1.00 0.00 C HETATM 697 CB DTH F 8 7.838 0.562 6.881 1.00 0.00 C HETATM 698 CG2 DTH F 8 6.633 1.261 7.467 1.00 0.00 C HETATM 699 OG1 DTH F 8 9.068 1.187 7.284 1.00 0.00 O HETATM 700 C DTH F 8 9.084 0.172 4.731 1.00 0.00 C HETATM 701 O DTH F 8 9.417 -1.010 4.696 1.00 0.00 O HETATM 0 HG23 DTH F 8 6.584 2.282 7.087 1.00 0.00 H new HETATM 0 HG22 DTH F 8 5.728 0.725 7.183 1.00 0.00 H new HETATM 0 HG21 DTH F 8 6.717 1.282 8.554 1.00 0.00 H new HETATM 0 HB DTH F 8 7.877 -0.460 7.258 1.00 0.00 H new HETATM 0 HA DTH F 8 6.912 -0.173 5.112 1.00 0.00 H new HETATM 0 H DTH F 8 7.170 2.617 5.411 1.00 0.00 H new ATOM 708 N ALA F 9 9.786 1.184 4.270 1.00 0.00 N ATOM 709 CA ALA F 9 11.007 1.057 3.688 1.00 0.00 C ATOM 710 C ALA F 9 11.990 0.767 4.825 1.00 0.00 C ATOM 711 O ALA F 9 12.183 -0.388 5.222 1.00 0.00 O ATOM 712 CB ALA F 9 11.250 2.381 2.932 1.00 0.00 C ATOM 0 H ALA F 9 9.460 2.149 4.317 1.00 0.00 H new ATOM 0 HA ALA F 9 11.112 0.249 2.965 1.00 0.00 H new ATOM 0 HB1 ALA F 9 12.221 2.345 2.438 1.00 0.00 H new ATOM 0 HB2 ALA F 9 10.468 2.523 2.186 1.00 0.00 H new ATOM 0 HB3 ALA F 9 11.232 3.211 3.638 1.00 0.00 H new ATOM 718 N LEU F 10 12.543 1.828 5.388 1.00 0.00 N ATOM 719 CA LEU F 10 13.535 1.747 6.472 1.00 0.00 C ATOM 720 C LEU F 10 12.887 1.552 7.828 1.00 0.00 C ATOM 721 O LEU F 10 13.537 1.211 8.815 1.00 0.00 O ATOM 722 CB LEU F 10 14.373 3.029 6.490 1.00 0.00 C ATOM 723 CG LEU F 10 13.579 4.347 6.443 1.00 0.00 C ATOM 724 CD1 LEU F 10 12.968 4.500 5.085 1.00 0.00 C ATOM 725 CD2 LEU F 10 12.464 4.410 7.483 1.00 0.00 C ATOM 0 H LEU F 10 12.321 2.784 5.110 1.00 0.00 H new ATOM 0 HA LEU F 10 14.166 0.879 6.279 1.00 0.00 H new ATOM 0 HB2 LEU F 10 14.986 3.028 7.391 1.00 0.00 H new ATOM 0 HB3 LEU F 10 15.055 3.007 5.640 1.00 0.00 H new ATOM 0 HG LEU F 10 14.282 5.151 6.663 1.00 0.00 H new ATOM 0 HD11 LEU F 10 12.403 5.431 5.043 1.00 0.00 H new ATOM 0 HD12 LEU F 10 13.756 4.519 4.332 1.00 0.00 H new ATOM 0 HD13 LEU F 10 12.299 3.661 4.890 1.00 0.00 H new ATOM 0 HD21 LEU F 10 11.942 5.363 7.399 1.00 0.00 H new ATOM 0 HD22 LEU F 10 11.761 3.595 7.313 1.00 0.00 H new ATOM 0 HD23 LEU F 10 12.892 4.318 8.481 1.00 0.00 H new ATOM 737 N ILE F 11 11.591 1.722 7.823 1.00 0.00 N ATOM 738 CA ILE F 11 10.770 1.599 9.028 1.00 0.00 C ATOM 739 C ILE F 11 9.438 0.963 8.650 1.00 0.00 C ATOM 740 O ILE F 11 8.757 0.329 9.465 1.00 0.00 O ATOM 741 CB ILE F 11 10.509 2.964 9.725 1.00 0.00 C ATOM 742 CG1 ILE F 11 11.637 3.326 10.707 1.00 0.00 C ATOM 743 CG2 ILE F 11 9.186 2.914 10.466 1.00 0.00 C ATOM 744 CD1 ILE F 11 11.570 4.750 11.235 1.00 0.00 C ATOM 0 H ILE F 11 11.059 1.952 6.983 1.00 0.00 H new ATOM 0 HA ILE F 11 11.318 0.979 9.738 1.00 0.00 H new ATOM 0 HB ILE F 11 10.476 3.733 8.953 1.00 0.00 H new ATOM 0 HG12 ILE F 11 11.605 2.636 11.550 1.00 0.00 H new ATOM 0 HG13 ILE F 11 12.596 3.179 10.211 1.00 0.00 H new ATOM 0 HG21 ILE F 11 9.006 3.872 10.954 1.00 0.00 H new ATOM 0 HG22 ILE F 11 8.381 2.709 9.760 1.00 0.00 H new ATOM 0 HG23 ILE F 11 9.219 2.125 11.217 1.00 0.00 H new ATOM 0 HD11 ILE F 11 12.400 4.924 11.920 1.00 0.00 H new ATOM 0 HD12 ILE F 11 11.634 5.450 10.402 1.00 0.00 H new ATOM 0 HD13 ILE F 11 10.628 4.899 11.762 1.00 0.00 H new TER 756 ILE F 11 ATOM 757 N ALA C 1 -5.940 -11.724 10.594 1.00 0.96 N ATOM 758 CA ALA C 1 -6.213 -12.484 11.839 1.00 1.33 C ATOM 759 C ALA C 1 -7.641 -13.042 11.824 1.00 1.47 C ATOM 760 O ALA C 1 -8.410 -12.863 10.813 1.00 2.22 O ATOM 761 CB ALA C 1 -6.107 -11.565 13.002 1.00 1.64 C ATOM 0 H2 ALA C 1 -4.969 -11.353 10.620 1.00 0.96 H new ATOM 0 HA ALA C 1 -5.494 -13.300 11.909 1.00 1.33 H new ATOM 0 HB1 ALA C 1 -6.306 -12.116 13.921 1.00 1.64 H new ATOM 0 HB2 ALA C 1 -5.103 -11.144 13.042 1.00 1.64 H new ATOM 0 HB3 ALA C 1 -6.834 -10.760 12.897 1.00 1.64 H new HETATM 767 N DGL C 2 -8.004 -13.799 12.953 1.00 1.40 N HETATM 768 CA DGL C 2 -9.445 -14.278 13.043 1.00 1.77 C HETATM 769 C DGL C 2 -10.518 -13.307 12.335 1.00 2.75 C HETATM 770 O DGL C 2 -10.298 -12.086 12.409 1.00 3.37 O HETATM 771 CB DGL C 2 -9.658 -15.571 12.181 1.00 1.85 C HETATM 772 CG DGL C 2 -9.091 -15.560 10.716 1.00 1.57 C HETATM 773 CD DGL C 2 -10.173 -15.794 9.635 1.00 1.38 C HETATM 774 OE1 DGL C 2 -10.513 -16.951 9.331 1.00 1.94 O HETATM 0 HG3 DGL C 2 -8.604 -14.603 10.530 1.00 1.57 H new HETATM 0 HG2 DGL C 2 -8.325 -16.330 10.625 1.00 1.57 H new HETATM 0 HB3 DGL C 2 -9.206 -16.409 12.712 1.00 1.85 H new HETATM 0 HB2 DGL C 2 -10.729 -15.768 12.127 1.00 1.85 H new HETATM 0 HA DGL C 2 -9.594 -14.374 14.118 1.00 1.77 H new HETATM 0 H2 DGL C 2 -7.256 -14.351 13.373 1.00 1.40 H new ATOM 781 N LYS C 3 -10.661 -14.745 9.047 1.00 1.36 N ATOM 782 CA LYS C 3 -11.674 -14.789 8.013 1.00 1.66 C ATOM 783 C LYS C 3 -13.111 -15.096 8.535 1.00 1.80 C ATOM 784 O LYS C 3 -13.989 -15.592 7.795 1.00 2.55 O ATOM 785 CB LYS C 3 -11.122 -15.595 6.822 1.00 1.94 C ATOM 786 CG LYS C 3 -11.291 -14.771 5.536 1.00 2.15 C ATOM 787 CD LYS C 3 -12.770 -14.457 5.061 1.00 2.64 C ATOM 788 CE LYS C 3 -13.437 -13.057 5.459 1.00 2.86 C ATOM 789 NZ LYS C 3 -14.441 -12.727 6.617 1.00 3.55 N1+ ATOM 0 HA LYS C 3 -11.871 -13.793 7.615 1.00 1.66 H new ATOM 0 HB2 LYS C 3 -10.070 -15.830 6.982 1.00 1.94 H new ATOM 0 HB3 LYS C 3 -11.651 -16.544 6.733 1.00 1.94 H new ATOM 0 HG2 LYS C 3 -10.773 -13.822 5.673 1.00 2.15 H new ATOM 0 HG3 LYS C 3 -10.783 -15.298 4.729 1.00 2.15 H new ATOM 0 HD2 LYS C 3 -12.788 -14.532 3.974 1.00 2.64 H new ATOM 0 HD3 LYS C 3 -13.413 -15.248 5.446 1.00 2.64 H new ATOM 0 HE2 LYS C 3 -12.594 -12.385 5.623 1.00 2.86 H new ATOM 0 HE3 LYS C 3 -13.940 -12.722 4.552 1.00 2.86 H new ATOM 0 HZ1 LYS C 3 -15.265 -12.224 6.230 1.00 3.55 H new ATOM 0 HZ2 LYS C 3 -14.755 -13.611 7.067 1.00 3.55 H new ATOM 0 HZ3 LYS C 3 -13.970 -12.127 7.324 1.00 3.55 H new HETATM 803 N DAL C 4 -13.163 -14.860 9.909 1.00 1.63 N HETATM 804 CA DAL C 4 -14.404 -14.916 10.921 1.00 1.95 C HETATM 805 CB DAL C 4 -15.133 -16.412 11.270 1.00 2.37 C HETATM 806 C DAL C 4 -15.144 -13.471 10.484 1.00 2.54 C HETATM 807 O DAL C 4 -16.220 -13.377 9.911 1.00 2.89 O HETATM 0 HB3 DAL C 4 -15.517 -16.853 10.350 1.00 2.37 H new HETATM 0 HB2 DAL C 4 -14.396 -17.082 11.713 1.00 2.37 H new HETATM 0 HB1 DAL C 4 -15.954 -16.262 11.971 1.00 2.37 H new HETATM 0 HA DAL C 4 -14.256 -14.939 12.001 1.00 1.95 H new HETATM 813 N DAL C 5 -14.404 -12.339 10.753 1.00 3.12 N HETATM 814 CA DAL C 5 -14.758 -10.728 10.628 1.00 4.20 C HETATM 815 CB DAL C 5 -16.219 -10.898 11.351 1.00 4.89 C HETATM 816 C DAL C 5 -14.910 -10.755 8.959 1.00 4.93 C HETATM 817 O DAL C 5 -13.880 -10.770 8.205 1.00 5.41 O HETATM 818 OXT DAL C 5 -16.081 -10.771 8.431 1.00 5.04 O HETATM 0 HXT DAL C 5 -16.519 -11.624 8.633 1.00 5.04 H new HETATM 0 HB3 DAL C 5 -16.835 -11.584 10.770 1.00 4.89 H new HETATM 0 HB2 DAL C 5 -16.083 -11.296 12.357 1.00 4.89 H new HETATM 0 HB1 DAL C 5 -16.712 -9.927 11.408 1.00 4.89 H new HETATM 0 HA DAL C 5 -14.168 -9.888 10.996 1.00 4.20 H new TER 824 DAL C 5 ATOM 825 N ALA D 1 15.713 1.256 -4.683 1.00 0.96 N ATOM 826 CA ALA D 1 16.923 1.372 -5.532 1.00 1.33 C ATOM 827 C ALA D 1 16.651 0.822 -6.927 1.00 1.47 C ATOM 828 O ALA D 1 15.743 1.356 -7.677 1.00 2.22 O ATOM 829 CB ALA D 1 18.002 0.535 -4.946 1.00 1.64 C ATOM 0 H2 ALA D 1 15.916 1.635 -3.736 1.00 0.96 H new ATOM 0 HA ALA D 1 17.205 2.424 -5.586 1.00 1.33 H new ATOM 0 HB1 ALA D 1 18.898 0.612 -5.562 1.00 1.64 H new ATOM 0 HB2 ALA D 1 18.225 0.882 -3.937 1.00 1.64 H new ATOM 0 HB3 ALA D 1 17.676 -0.504 -4.908 1.00 1.64 H new HETATM 835 N DGL D 2 17.462 -0.251 -7.339 1.00 1.40 N HETATM 836 CA DGL D 2 17.146 -0.888 -8.676 1.00 1.77 C HETATM 837 C DGL D 2 15.583 -0.950 -9.034 1.00 2.75 C HETATM 838 O DGL D 2 15.172 -0.299 -10.096 1.00 3.32 O HETATM 839 CB DGL D 2 17.632 0.032 -9.886 1.00 1.85 C HETATM 840 CG DGL D 2 17.542 1.585 -9.695 1.00 1.57 C HETATM 841 CD DGL D 2 16.605 2.283 -10.711 1.00 1.38 C HETATM 842 OE1 DGL D 2 17.072 2.764 -11.761 1.00 1.94 O HETATM 0 HG3 DGL D 2 17.192 1.798 -8.685 1.00 1.57 H new HETATM 0 HG2 DGL D 2 18.541 2.012 -9.783 1.00 1.57 H new HETATM 0 HB3 DGL D 2 18.669 -0.220 -10.105 1.00 1.85 H new HETATM 0 HB2 DGL D 2 17.047 -0.233 -10.766 1.00 1.85 H new HETATM 0 HA DGL D 2 17.616 -1.866 -8.576 1.00 1.77 H new HETATM 0 H2 DGL D 2 18.430 -0.169 -7.029 1.00 1.40 H new ATOM 849 N LYS D 3 15.352 2.371 -10.398 1.00 1.36 N ATOM 850 CA LYS D 3 14.348 2.992 -11.234 1.00 1.66 C ATOM 851 C LYS D 3 14.043 2.216 -12.551 1.00 1.80 C ATOM 852 O LYS D 3 13.614 2.795 -13.573 1.00 2.55 O ATOM 853 CB LYS D 3 14.637 4.503 -11.304 1.00 1.94 C ATOM 854 CG LYS D 3 13.333 5.279 -11.068 1.00 2.15 C ATOM 855 CD LYS D 3 12.220 5.193 -12.195 1.00 2.64 C ATOM 856 CE LYS D 3 11.032 4.132 -12.040 1.00 2.86 C ATOM 857 NZ LYS D 3 10.914 2.681 -12.620 1.00 3.55 N1+ ATOM 0 HA LYS D 3 13.359 2.914 -10.783 1.00 1.66 H new ATOM 0 HB2 LYS D 3 15.379 4.778 -10.554 1.00 1.94 H new ATOM 0 HB3 LYS D 3 15.056 4.760 -12.277 1.00 1.94 H new ATOM 0 HG2 LYS D 3 12.895 4.926 -10.134 1.00 2.15 H new ATOM 0 HG3 LYS D 3 13.587 6.329 -10.924 1.00 2.15 H new ATOM 0 HD2 LYS D 3 11.768 6.181 -12.286 1.00 2.64 H new ATOM 0 HD3 LYS D 3 12.724 4.985 -13.139 1.00 2.64 H new ATOM 0 HE2 LYS D 3 10.906 4.012 -10.964 1.00 2.86 H new ATOM 0 HE3 LYS D 3 10.147 4.651 -12.408 1.00 2.86 H new ATOM 0 HZ1 LYS D 3 9.990 2.566 -13.083 1.00 3.55 H new ATOM 0 HZ2 LYS D 3 11.671 2.522 -13.315 1.00 3.55 H new ATOM 0 HZ3 LYS D 3 11.003 1.990 -11.848 1.00 3.55 H new HETATM 871 N DAL D 4 14.456 0.891 -12.411 1.00 1.63 N HETATM 872 CA DAL D 4 14.289 -0.353 -13.409 1.00 1.95 C HETATM 873 CB DAL D 4 14.901 -0.242 -14.992 1.00 2.37 C HETATM 874 C DAL D 4 12.769 -0.868 -12.910 1.00 2.54 C HETATM 875 O DAL D 4 11.810 -1.045 -13.649 1.00 2.89 O HETATM 0 HB3 DAL D 4 14.419 0.586 -15.511 1.00 2.37 H new HETATM 0 HB2 DAL D 4 15.977 -0.070 -14.955 1.00 2.37 H new HETATM 0 HB1 DAL D 4 14.701 -1.171 -15.526 1.00 2.37 H new HETATM 0 HA DAL D 4 14.982 -1.194 -13.391 1.00 1.95 H new HETATM 881 N DAL D 5 12.627 -1.019 -11.547 1.00 3.12 N HETATM 882 CA DAL D 5 11.393 -1.615 -10.618 1.00 4.20 C HETATM 883 CB DAL D 5 11.326 -3.026 -11.451 1.00 4.89 C HETATM 884 C DAL D 5 10.256 -0.528 -11.195 1.00 4.93 C HETATM 885 O DAL D 5 10.428 0.733 -11.070 1.00 5.41 O HETATM 886 OXT DAL D 5 9.200 -0.966 -11.779 1.00 5.04 O HETATM 0 HXT DAL D 5 8.540 -0.245 -11.846 1.00 5.04 H new HETATM 0 HB3 DAL D 5 11.100 -2.820 -12.497 1.00 4.89 H new HETATM 0 HB2 DAL D 5 12.287 -3.536 -11.381 1.00 4.89 H new HETATM 0 HB1 DAL D 5 10.546 -3.661 -11.030 1.00 4.89 H new HETATM 0 HA DAL D 5 11.373 -1.729 -9.534 1.00 4.20 H new TER 892 DAL D 5 ATOM 893 N ALA G 1 -13.534 5.594 -9.956 1.00 0.96 N ATOM 894 CA ALA G 1 -13.608 5.943 -11.397 1.00 1.33 C ATOM 895 C ALA G 1 -12.213 6.124 -11.993 1.00 1.47 C ATOM 896 O ALA G 1 -12.009 6.945 -12.969 1.00 2.22 O ATOM 897 CB ALA G 1 -14.316 7.239 -11.545 1.00 1.64 C ATOM 0 H2 ALA G 1 -14.496 5.477 -9.577 1.00 0.96 H new ATOM 0 HA ALA G 1 -14.127 5.134 -11.911 1.00 1.33 H new ATOM 0 HB1 ALA G 1 -14.375 7.503 -12.601 1.00 1.64 H new ATOM 0 HB2 ALA G 1 -15.323 7.152 -11.136 1.00 1.64 H new ATOM 0 HB3 ALA G 1 -13.771 8.015 -11.007 1.00 1.64 H new HETATM 903 N DGL G 2 -11.188 5.381 -11.379 1.00 1.40 N HETATM 904 CA DGL G 2 -9.795 5.453 -11.997 1.00 1.77 C HETATM 905 C DGL G 2 -8.619 4.898 -11.045 1.00 2.75 C HETATM 906 O DGL G 2 -7.390 5.000 -11.473 1.00 3.32 O HETATM 907 CB DGL G 2 -9.649 4.436 -13.207 1.00 1.85 C HETATM 908 CG DGL G 2 -9.633 2.907 -12.865 1.00 1.57 C HETATM 909 CD DGL G 2 -8.220 2.279 -12.910 1.00 1.38 C HETATM 910 OE1 DGL G 2 -7.805 1.745 -13.954 1.00 1.94 O HETATM 0 HG3 DGL G 2 -10.055 2.761 -11.871 1.00 1.57 H new HETATM 0 HG2 DGL G 2 -10.279 2.379 -13.567 1.00 1.57 H new HETATM 0 HB3 DGL G 2 -10.470 4.618 -13.901 1.00 1.85 H new HETATM 0 HB2 DGL G 2 -8.726 4.673 -13.736 1.00 1.85 H new HETATM 0 HA DGL G 2 -9.701 6.512 -12.237 1.00 1.77 H new HETATM 0 H DGL G 2 -11.310 5.005 -10.439 1.00 1.40 H new ATOM 917 N LYS G 3 -7.527 2.300 -11.813 1.00 1.36 N ATOM 918 CA LYS G 3 -6.193 1.754 -11.683 1.00 1.66 C ATOM 919 C LYS G 3 -5.139 2.403 -12.631 1.00 1.80 C ATOM 920 O LYS G 3 -4.178 1.750 -13.095 1.00 2.55 O ATOM 921 CB LYS G 3 -6.299 0.219 -11.620 1.00 1.94 C ATOM 922 CG LYS G 3 -6.452 -0.217 -10.156 1.00 2.15 C ATOM 923 CD LYS G 3 -5.657 0.611 -9.062 1.00 2.64 C ATOM 924 CE LYS G 3 -4.076 0.790 -9.219 1.00 2.86 C ATOM 925 NZ LYS G 3 -3.273 1.839 -10.060 1.00 3.55 N1+ ATOM 0 HA LYS G 3 -5.740 2.047 -10.736 1.00 1.66 H new ATOM 0 HB2 LYS G 3 -7.153 -0.123 -12.205 1.00 1.94 H new ATOM 0 HB3 LYS G 3 -5.411 -0.237 -12.057 1.00 1.94 H new ATOM 0 HG2 LYS G 3 -7.511 -0.180 -9.902 1.00 2.15 H new ATOM 0 HG3 LYS G 3 -6.142 -1.259 -10.081 1.00 2.15 H new ATOM 0 HD2 LYS G 3 -6.098 1.607 -9.019 1.00 2.64 H new ATOM 0 HD3 LYS G 3 -5.840 0.140 -8.096 1.00 2.64 H new ATOM 0 HE2 LYS G 3 -3.708 0.912 -8.200 1.00 2.86 H new ATOM 0 HE3 LYS G 3 -3.721 -0.178 -9.572 1.00 2.86 H new ATOM 0 HZ1 LYS G 3 -2.263 1.774 -9.822 1.00 3.55 H new ATOM 0 HZ2 LYS G 3 -3.403 1.645 -11.073 1.00 3.55 H new ATOM 0 HZ3 LYS G 3 -3.619 2.796 -9.844 1.00 3.55 H new HETATM 939 N DAL G 4 -5.539 3.703 -12.943 1.00 1.63 N HETATM 940 CA DAL G 4 -4.788 4.843 -13.784 1.00 1.95 C HETATM 941 CB DAL G 4 -4.227 4.498 -15.350 1.00 2.37 C HETATM 942 C DAL G 4 -3.967 5.582 -12.516 1.00 2.54 C HETATM 943 O DAL G 4 -2.767 5.829 -12.508 1.00 2.89 O HETATM 0 HB3 DAL G 4 -3.508 3.680 -15.307 1.00 2.37 H new HETATM 0 HB2 DAL G 4 -5.067 4.209 -15.982 1.00 2.37 H new HETATM 0 HB1 DAL G 4 -3.746 5.383 -15.767 1.00 2.37 H new HETATM 0 HA DAL G 4 -5.342 5.594 -14.348 1.00 1.95 H new HETATM 949 N DAL G 5 -4.729 5.838 -11.409 1.00 3.12 N HETATM 950 CA DAL G 5 -4.397 6.640 -10.025 1.00 4.20 C HETATM 951 CB DAL G 5 -3.811 7.966 -10.786 1.00 4.89 C HETATM 952 C DAL G 5 -3.177 5.604 -9.529 1.00 4.93 C HETATM 953 O DAL G 5 -2.028 6.101 -9.144 1.00 5.04 O HETATM 954 OXT DAL G 5 -3.329 4.364 -9.577 1.00 5.41 O HETATM 0 HXT DAL G 5 -2.891 3.951 -8.804 1.00 5.41 H new HETATM 0 HB3 DAL G 5 -2.955 7.685 -11.400 1.00 4.89 H new HETATM 0 HB2 DAL G 5 -4.587 8.395 -11.420 1.00 4.89 H new HETATM 0 HB1 DAL G 5 -3.500 8.703 -10.045 1.00 4.89 H new HETATM 0 HA DAL G 5 -5.095 6.877 -9.222 1.00 4.20 H new TER 960 DAL G 5 ATOM 961 N ALA H 1 15.915 11.577 7.088 1.00 0.96 N ATOM 962 CA ALA H 1 16.662 12.045 8.283 1.00 1.33 C ATOM 963 C ALA H 1 17.282 10.861 9.034 1.00 1.47 C ATOM 964 O ALA H 1 16.923 9.655 8.778 1.00 2.22 O ATOM 965 CB ALA H 1 15.718 12.711 9.217 1.00 1.64 C ATOM 0 H2 ALA H 1 15.503 12.394 6.594 1.00 0.96 H new ATOM 0 HA ALA H 1 17.444 12.726 7.949 1.00 1.33 H new ATOM 0 HB1 ALA H 1 16.260 13.057 10.097 1.00 1.64 H new ATOM 0 HB2 ALA H 1 15.253 13.562 8.719 1.00 1.64 H new ATOM 0 HB3 ALA H 1 14.947 12.003 9.521 1.00 1.64 H new HETATM 971 N DGL H 2 18.291 11.197 9.952 1.00 1.40 N HETATM 972 CA DGL H 2 18.861 10.076 10.813 1.00 1.77 C HETATM 973 C DGL H 2 17.836 8.872 11.102 1.00 2.75 C HETATM 974 O DGL H 2 16.660 9.192 11.351 1.00 3.37 O HETATM 975 CB DGL H 2 19.976 9.287 10.039 1.00 1.85 C HETATM 976 CG DGL H 2 19.714 8.980 8.524 1.00 1.57 C HETATM 977 CD DGL H 2 20.012 7.514 8.131 1.00 1.38 C HETATM 978 OE1 DGL H 2 20.808 7.264 7.207 1.00 1.94 O HETATM 0 HG3 DGL H 2 18.674 9.206 8.290 1.00 1.57 H new HETATM 0 HG2 DGL H 2 20.329 9.643 7.915 1.00 1.57 H new HETATM 0 HB3 DGL H 2 20.904 9.853 10.114 1.00 1.85 H new HETATM 0 HB2 DGL H 2 20.138 8.340 10.553 1.00 1.85 H new HETATM 0 HA DGL H 2 19.170 10.606 11.714 1.00 1.77 H new HETATM 0 H2 DGL H 2 18.869 12.003 9.716 1.00 1.40 H new ATOM 985 N LYS H 3 19.368 6.586 8.770 1.00 1.36 N ATOM 986 CA LYS H 3 19.528 5.169 8.521 1.00 1.66 C ATOM 987 C LYS H 3 20.860 4.568 9.065 1.00 1.80 C ATOM 988 O LYS H 3 21.949 4.744 8.480 1.00 2.55 O ATOM 989 CB LYS H 3 19.115 4.879 7.066 1.00 1.94 C ATOM 990 CG LYS H 3 18.328 3.561 7.017 1.00 2.15 C ATOM 991 CD LYS H 3 19.061 2.255 7.537 1.00 2.64 C ATOM 992 CE LYS H 3 18.259 0.870 7.567 1.00 2.86 C ATOM 993 NZ LYS H 3 17.063 0.433 8.483 1.00 3.55 N1+ ATOM 0 HA LYS H 3 18.841 4.584 9.133 1.00 1.66 H new ATOM 0 HB2 LYS H 3 18.505 5.695 6.679 1.00 1.94 H new ATOM 0 HB3 LYS H 3 19.998 4.813 6.431 1.00 1.94 H new ATOM 0 HG2 LYS H 3 17.417 3.691 7.600 1.00 2.15 H new ATOM 0 HG3 LYS H 3 18.024 3.388 5.985 1.00 2.15 H new ATOM 0 HD2 LYS H 3 19.947 2.108 6.919 1.00 2.64 H new ATOM 0 HD3 LYS H 3 19.409 2.455 8.551 1.00 2.64 H new ATOM 0 HE2 LYS H 3 17.891 0.741 6.549 1.00 2.86 H new ATOM 0 HE3 LYS H 3 19.024 0.110 7.728 1.00 2.86 H new ATOM 0 HZ1 LYS H 3 17.311 -0.444 8.983 1.00 3.55 H new ATOM 0 HZ2 LYS H 3 16.865 1.183 9.176 1.00 3.55 H new ATOM 0 HZ3 LYS H 3 16.219 0.271 7.898 1.00 3.55 H new HETATM 1007 N DAL H 4 20.624 3.976 10.306 1.00 1.63 N HETATM 1008 CA DAL H 4 21.607 3.132 11.251 1.00 1.95 C HETATM 1009 CB DAL H 4 23.288 3.343 11.112 1.00 2.37 C HETATM 1010 C DAL H 4 20.733 1.696 11.295 1.00 2.54 C HETATM 1011 O DAL H 4 20.812 0.801 10.465 1.00 2.89 O HETATM 0 HB3 DAL H 4 23.604 3.088 10.101 1.00 2.37 H new HETATM 0 HB2 DAL H 4 23.543 4.382 11.321 1.00 2.37 H new HETATM 0 HB1 DAL H 4 23.796 2.695 11.826 1.00 2.37 H new HETATM 0 HA DAL H 4 21.834 3.453 12.268 1.00 1.95 H new HETATM 0 H2 DAL H 4 19.614 3.855 10.383 1.00 1.63 H new HETATM 1017 N DAL H 5 19.824 1.603 12.326 1.00 3.12 N HETATM 1018 CA DAL H 5 18.856 0.365 12.846 1.00 4.20 C HETATM 1019 CB DAL H 5 20.098 -0.704 12.901 1.00 4.89 C HETATM 1020 C DAL H 5 18.022 0.234 11.398 1.00 4.93 C HETATM 1021 O DAL H 5 17.452 1.251 10.874 1.00 5.41 O HETATM 1022 OXT DAL H 5 17.961 -0.901 10.803 1.00 5.04 O HETATM 0 HXT DAL H 5 18.804 -1.070 10.333 1.00 5.04 H new HETATM 0 HB3 DAL H 5 20.536 -0.804 11.908 1.00 4.89 H new HETATM 0 HB2 DAL H 5 20.856 -0.345 13.597 1.00 4.89 H new HETATM 0 HB1 DAL H 5 19.729 -1.674 13.235 1.00 4.89 H new HETATM 0 HA DAL H 5 18.209 0.351 13.723 1.00 4.20 H new TER 1028 DAL H 5 HETATM 1029 P 2PO A 101 -9.019 -5.780 7.542 1.00 0.92 P HETATM 1030 O1P 2PO A 101 -9.638 -6.184 8.828 1.00 1.05 O1- HETATM 1031 O2P 2PO A 101 -8.621 -4.362 7.373 1.00 1.19 O HETATM 1032 O3P 2PO A 101 -10.011 -6.184 6.344 1.00 1.06 O HETATM 1033 P 2PO A 102 -9.476 -6.200 4.840 1.00 0.99 P HETATM 1034 O1P 2PO A 102 -9.144 -4.788 4.420 1.00 1.29 O1- HETATM 1035 O2P 2PO A 102 -8.438 -7.230 4.755 1.00 1.40 O HETATM 1036 O3P 2PO A 102 -10.781 -6.760 4.092 1.00 1.15 O HETATM 1037 C1 P1W A 103 -10.813 -7.922 3.247 1.00 1.01 C HETATM 1038 C2 P1W A 103 -12.049 -7.993 2.359 1.00 0.95 C HETATM 1039 C3 P1W A 103 -12.330 -9.010 1.488 1.00 1.17 C HETATM 1040 C4 P1W A 103 -13.564 -8.988 0.608 1.00 1.61 C HETATM 1041 C5 P1W A 103 -11.479 -10.293 1.322 1.00 1.31 C HETATM 1050 C1 P1W A 104 -13.268 -8.263 -0.722 1.00 1.15 C HETATM 1051 C2 P1W A 104 -14.436 -7.414 -1.124 1.00 1.38 C HETATM 1052 C3 P1W A 104 -14.443 -6.068 -1.061 1.00 1.66 C HETATM 1053 C4 P1W A 104 -15.652 -5.245 -1.454 1.00 1.93 C HETATM 1054 C5 P1W A 104 -13.239 -5.227 -0.607 1.00 2.53 C HETATM 1063 C1 P1W A 105 5.216 -5.186 -8.352 1.00 1.15 C HETATM 1064 C2 P1W A 105 5.192 -5.353 -9.830 1.00 1.38 C HETATM 1065 C3 P1W A 105 4.348 -4.693 -10.634 1.00 1.66 C HETATM 1066 C4 P1W A 105 4.329 -4.904 -12.135 1.00 1.93 C HETATM 1067 C5 P1W A 105 3.348 -3.648 -10.131 1.00 2.53 C HETATM 1076 C1 P1W A 106 -16.275 -4.579 -0.226 1.00 2.50 C HETATM 1077 C2 P1W A 106 -17.393 -3.653 -0.614 1.00 3.14 C HETATM 1078 C3 P1W A 106 -18.530 -3.486 0.078 1.00 3.84 C HETATM 1079 C4 P1W A 106 -19.627 -2.499 -0.355 1.00 4.24 C HETATM 1080 C5 P1W A 106 -18.855 -4.261 1.359 1.00 4.81 C HETATM 1090 C1 P1W A 107 3.750 -6.279 -12.462 1.00 2.50 C HETATM 1091 C2 P1W A 107 2.253 -6.285 -12.320 1.00 3.14 C HETATM 1092 C3 P1W A 107 1.560 -7.246 -11.684 1.00 3.84 C HETATM 1093 C4 P1W A 107 0.031 -7.206 -11.539 1.00 4.24 C HETATM 1094 C5 P1W A 107 2.217 -8.476 -11.044 1.00 4.81 C HETATM 1104 P 2PO B 101 11.513 -4.709 -2.822 1.00 0.92 P HETATM 1105 O1P 2PO B 101 12.078 -5.002 -4.169 1.00 1.05 O1- HETATM 1106 O2P 2PO B 101 11.612 -5.762 -1.800 1.00 1.19 O HETATM 1107 O3P 2PO B 101 9.937 -4.374 -3.040 1.00 1.06 O HETATM 1108 P 2PO B 102 8.746 -4.976 -2.166 1.00 0.99 P HETATM 1109 O1P 2PO B 102 9.203 -6.323 -1.666 1.00 1.29 O1- HETATM 1110 O2P 2PO B 102 8.305 -3.954 -1.176 1.00 1.40 O HETATM 1111 O3P 2PO B 102 7.631 -5.160 -3.299 1.00 1.15 O HETATM 1112 C1 P1W B 103 7.184 -4.077 -4.111 1.00 1.01 C HETATM 1113 C2 P1W B 103 7.159 -4.507 -5.545 1.00 0.95 C HETATM 1114 C3 P1W B 103 6.425 -3.941 -6.508 1.00 1.17 C HETATM 1115 C4 P1W B 103 6.496 -4.494 -7.928 1.00 1.61 C HETATM 1116 C5 P1W B 103 5.473 -2.740 -6.272 1.00 1.31 C HETATM 1125 P 2PO E 101 -9.546 6.271 -3.260 1.00 0.92 P HETATM 1126 O1P 2PO E 101 -8.316 5.619 -3.782 1.00 1.05 O1- HETATM 1127 O2P 2PO E 101 -9.731 7.725 -3.480 1.00 1.19 O HETATM 1128 O3P 2PO E 101 -9.626 6.001 -1.706 1.00 1.06 O HETATM 1129 P 2PO E 102 -11.046 5.736 -1.072 1.00 0.99 P HETATM 1130 O1P 2PO E 102 -11.650 7.029 -0.648 1.00 1.29 O1- HETATM 1131 O2P 2PO E 102 -11.819 4.816 -1.972 1.00 1.40 O HETATM 1132 O3P 2PO E 102 -10.653 4.932 0.229 1.00 1.15 O HETATM 1133 C1 P1W E 103 -10.716 3.519 0.207 1.00 1.01 C HETATM 1134 C2 P1W E 103 -9.911 3.035 -0.961 1.00 0.95 C HETATM 1135 C3 P1W E 103 -9.867 1.779 -1.407 1.00 1.17 C HETATM 1136 C4 P1W E 103 -9.000 1.443 -2.591 1.00 1.61 C HETATM 1137 C5 P1W E 103 -10.659 0.602 -0.803 1.00 1.31 C HETATM 1146 P 2PO F 101 10.255 7.272 6.871 1.00 0.92 P HETATM 1147 O1P 2PO F 101 10.830 7.569 8.206 1.00 1.05 O1- HETATM 1148 O2P 2PO F 101 8.812 7.508 6.639 1.00 1.19 O HETATM 1149 O3P 2PO F 101 10.557 5.769 6.541 1.00 1.06 O HETATM 1150 P 2PO F 102 9.515 4.940 5.695 1.00 0.99 P HETATM 1151 O1P 2PO F 102 10.055 3.584 5.562 1.00 1.29 O1- HETATM 1152 O2P 2PO F 102 8.155 5.108 6.254 1.00 1.40 O HETATM 1153 O3P 2PO F 102 9.604 5.691 4.287 1.00 1.15 O HETATM 1154 C1 P1W F 103 8.497 6.402 3.753 1.00 1.01 C HETATM 1155 C2 P1W F 103 8.953 7.164 2.512 1.00 0.95 C HETATM 1156 C3 P1W F 103 8.238 8.098 1.828 1.00 1.17 C HETATM 1157 C4 P1W F 103 8.815 8.808 0.598 1.00 1.61 C HETATM 1158 C5 P1W F 103 6.806 8.519 2.201 1.00 1.31 C HETATM 1167 C1 P1W F 104 -8.956 -0.067 -2.857 1.00 1.15 C HETATM 1168 C2 P1W F 104 -7.778 -0.435 -3.710 1.00 1.38 C HETATM 1169 C3 P1W F 104 -7.644 -1.643 -4.290 1.00 1.66 C HETATM 1170 C4 P1W F 104 -6.446 -2.009 -5.147 1.00 1.93 C HETATM 1171 C5 P1W F 104 -8.678 -2.770 -4.162 1.00 2.53 C HETATM 1180 C1 P1W F 105 8.778 7.892 -0.636 1.00 1.15 C HETATM 1181 C2 P1W F 105 9.544 8.517 -1.745 1.00 1.38 C HETATM 1182 C3 P1W F 105 9.001 9.389 -2.600 1.00 1.66 C HETATM 1183 C4 P1W F 105 9.798 9.997 -3.739 1.00 1.93 C HETATM 1184 C5 P1W F 105 7.543 9.857 -2.538 1.00 2.53 C HETATM 1193 C1 P1W F 106 -6.882 -2.385 -6.560 1.00 2.50 C HETATM 1194 C2 P1W F 106 -6.568 -3.822 -6.849 1.00 3.14 C HETATM 1195 C3 P1W F 106 -6.801 -4.436 -8.020 1.00 3.84 C HETATM 1196 C4 P1W F 106 -6.441 -5.910 -8.267 1.00 4.24 C HETATM 1197 C5 P1W F 106 -7.441 -3.738 -9.224 1.00 4.81 C HETATM 1207 C1 P1W F 107 10.431 11.308 -3.278 1.00 2.50 C HETATM 1208 C2 P1W F 107 11.442 11.790 -4.276 1.00 3.14 C HETATM 1209 C3 P1W F 107 12.755 11.870 -4.051 1.00 3.84 C HETATM 1210 C4 P1W F 107 13.769 12.346 -5.109 1.00 4.24 C HETATM 1211 C5 P1W F 107 13.381 11.493 -2.709 1.00 4.81 C HETATM 1221 C1 MUB C 101 -7.665 -8.010 7.751 1.00 0.78 C HETATM 1222 C2 MUB C 101 -6.370 -8.689 7.351 1.00 0.77 C HETATM 1223 C3 MUB C 101 -6.521 -10.192 7.444 1.00 0.81 C HETATM 1224 C4 MUB C 101 -7.673 -10.565 8.384 1.00 0.87 C HETATM 1225 C5 MUB C 101 -8.993 -10.016 7.871 1.00 1.10 C HETATM 1226 C6 MUB C 101 -9.966 -9.815 9.016 1.00 1.28 C HETATM 1227 C7 MUB C 101 -6.133 -9.116 4.959 1.00 1.81 C HETATM 1228 C8 MUB C 101 -5.621 -8.743 3.574 1.00 2.83 C HETATM 1229 C9 MUB C 101 -4.720 -10.213 9.050 1.00 0.89 C HETATM 1230 C10 MUB C 101 -4.800 -10.985 10.361 1.00 1.09 C HETATM 1231 C11 MUB C 101 -3.788 -8.966 8.941 1.00 1.18 C HETATM 1232 O1 MUB C 101 -7.714 -6.704 7.272 1.00 0.93 O HETATM 1233 O3 MUB C 101 -5.273 -10.804 7.852 1.00 0.86 O HETATM 1234 O4 MUB C 101 -7.696 -12.007 8.538 1.00 1.10 O HETATM 1235 O5 MUB C 101 -8.791 -8.744 7.214 1.00 1.05 O HETATM 1236 O6 MUB C 101 -9.463 -8.820 9.888 1.00 1.13 O HETATM 1237 O7 MUB C 101 -6.824 -10.138 5.081 1.00 2.24 O HETATM 1238 O10 MUB C 101 -3.807 -10.983 11.096 1.00 1.68 O HETATM 1239 N2 MUB C 101 -5.904 -8.295 5.992 1.00 1.07 N HETATM 0 H113 MUB C 101 -4.095 -8.217 9.672 1.00 1.18 H new HETATM 0 H112 MUB C 101 -2.758 -9.263 9.137 1.00 1.18 H new HETATM 0 H111 MUB C 101 -3.859 -8.545 7.938 1.00 1.18 H new HETATM 0 HO6 MUB C 101 -9.679 -7.933 9.532 1.00 1.13 H new HETATM 0 HN2 MUB C 101 -5.416 -7.410 5.850 1.00 1.07 H new HETATM 0 H9 MUB C 101 -5.590 -9.588 9.254 1.00 0.89 H new HETATM 0 H83 MUB C 101 -4.995 -9.548 3.188 1.00 2.83 H new HETATM 0 H82 MUB C 101 -6.466 -8.587 2.903 1.00 2.83 H new HETATM 0 H81 MUB C 101 -5.035 -7.826 3.638 1.00 2.83 H new HETATM 0 H62 MUB C 101 -10.942 -9.518 8.631 1.00 1.28 H new HETATM 0 H61 MUB C 101 -10.108 -10.751 9.557 1.00 1.28 H new HETATM 0 H5 MUB C 101 -9.400 -10.738 7.163 1.00 1.10 H new HETATM 0 H4A MUB C 101 -7.518 -10.113 9.364 1.00 0.87 H new HETATM 0 H3 MUB C 101 -6.770 -10.580 6.456 1.00 0.81 H new HETATM 0 H2 MUB C 101 -5.605 -8.354 8.051 1.00 0.77 H new HETATM 0 H1 MUB C 101 -7.711 -7.991 8.840 1.00 0.78 H new HETATM 1256 C1 NAG C 102 -7.458 -12.764 7.349 1.00 0.84 C HETATM 1257 C2 NAG C 102 -7.488 -14.235 7.671 1.00 0.94 C HETATM 1258 C3 NAG C 102 -7.192 -15.040 6.431 1.00 1.41 C HETATM 1259 C4 NAG C 102 -8.111 -14.613 5.276 1.00 2.01 C HETATM 1260 C5 NAG C 102 -8.082 -13.092 5.093 1.00 2.01 C HETATM 1261 C6 NAG C 102 -9.046 -12.592 4.021 1.00 2.85 C HETATM 1262 C7 NAG C 102 -5.240 -14.527 8.565 1.00 1.57 C HETATM 1263 C8 NAG C 102 -4.349 -14.847 9.758 1.00 2.06 C HETATM 1264 N2 NAG C 102 -6.550 -14.532 8.752 1.00 1.16 N HETATM 1265 O3 NAG C 102 -7.393 -16.423 6.692 1.00 1.60 O HETATM 1266 O4 NAG C 102 -7.676 -15.242 4.078 1.00 2.71 O HETATM 1267 O5 NAG C 102 -8.414 -12.446 6.328 1.00 1.51 O HETATM 1268 O6 NAG C 102 -9.214 -11.180 4.082 1.00 3.23 O HETATM 1269 O7 NAG C 102 -4.734 -14.352 7.457 1.00 2.31 O HETATM 0 HO6 NAG C 102 -8.390 -10.767 4.415 1.00 3.23 H new HETATM 0 HO4 NAG C 102 -8.408 -15.245 3.426 1.00 2.71 H new HETATM 0 HO3 NAG C 102 -7.201 -16.940 5.882 1.00 1.60 H new HETATM 0 HN2 NAG C 102 -6.916 -14.750 9.679 1.00 1.16 H new HETATM 0 H83 NAG C 102 -4.526 -14.119 10.550 1.00 2.06 H new HETATM 0 H82 NAG C 102 -4.579 -15.847 10.126 1.00 2.06 H new HETATM 0 H81 NAG C 102 -3.303 -14.805 9.453 1.00 2.06 H new HETATM 0 H62 NAG C 102 -8.672 -12.872 3.036 1.00 2.85 H new HETATM 0 H61 NAG C 102 -10.013 -13.079 4.145 1.00 2.85 H new HETATM 0 H5 NAG C 102 -7.069 -12.846 4.773 1.00 2.01 H new HETATM 0 H4 NAG C 102 -9.132 -14.914 5.509 1.00 2.01 H new HETATM 0 H3 NAG C 102 -6.154 -14.862 6.149 1.00 1.41 H new HETATM 0 H2 NAG C 102 -8.484 -14.513 8.015 1.00 0.94 H new HETATM 1284 C1 MUB D 101 12.735 -2.406 -3.136 1.00 0.78 C HETATM 1285 C2 MUB D 101 12.623 -0.978 -2.600 1.00 0.77 C HETATM 1286 C3 MUB D 101 12.626 0.033 -3.748 1.00 0.81 C HETATM 1287 C4 MUB D 101 13.426 -0.536 -4.932 1.00 0.87 C HETATM 1288 C5 MUB D 101 12.770 -1.812 -5.461 1.00 1.10 C HETATM 1289 C6 MUB D 101 13.794 -2.765 -6.032 1.00 1.28 C HETATM 1290 C7 MUB D 101 10.291 -0.327 -2.294 1.00 1.81 C HETATM 1291 C8 MUB D 101 9.083 -0.054 -1.416 1.00 2.83 C HETATM 1292 C9 MUB D 101 14.365 1.280 -2.593 1.00 0.89 C HETATM 1293 C10 MUB D 101 15.676 1.530 -3.333 1.00 1.09 C HETATM 1294 C11 MUB D 101 14.345 1.285 -1.030 1.00 1.18 C HETATM 1295 O1 MUB D 101 12.255 -3.378 -2.247 1.00 0.93 O HETATM 1296 O3 MUB D 101 13.119 1.330 -3.321 1.00 0.86 O HETATM 1297 O4 MUB D 101 13.536 0.479 -5.959 1.00 1.10 O HETATM 1298 O5 MUB D 101 12.050 -2.500 -4.406 1.00 1.05 O HETATM 1299 O6 MUB D 101 14.969 -2.702 -5.251 1.00 1.13 O HETATM 1300 O7 MUB D 101 10.161 -0.231 -3.521 1.00 2.24 O HETATM 1301 O10 MUB D 101 16.621 2.010 -2.695 1.00 1.68 O HETATM 1302 N2 MUB D 101 11.430 -0.767 -1.740 1.00 1.07 N HETATM 0 H113 MUB D 101 15.014 0.510 -0.655 1.00 1.18 H new HETATM 0 H112 MUB D 101 14.675 2.258 -0.665 1.00 1.18 H new HETATM 0 H111 MUB D 101 13.332 1.091 -0.678 1.00 1.18 H new HETATM 0 HO6 MUB D 101 15.637 -3.319 -5.615 1.00 1.13 H new HETATM 0 HN2 MUB D 101 11.477 -0.955 -0.739 1.00 1.07 H new HETATM 0 H9 MUB D 101 14.454 0.195 -2.651 1.00 0.89 H new HETATM 0 H83 MUB D 101 8.737 0.966 -1.581 1.00 2.83 H new HETATM 0 H82 MUB D 101 8.285 -0.753 -1.667 1.00 2.83 H new HETATM 0 H81 MUB D 101 9.359 -0.179 -0.369 1.00 2.83 H new HETATM 0 H62 MUB D 101 13.400 -3.781 -6.038 1.00 1.28 H new HETATM 0 H61 MUB D 101 14.016 -2.503 -7.067 1.00 1.28 H new HETATM 0 H5 MUB D 101 12.080 -1.506 -6.247 1.00 1.10 H new HETATM 0 H4A MUB D 101 14.429 -0.808 -4.604 1.00 0.87 H new HETATM 0 H3 MUB D 101 11.600 0.197 -4.077 1.00 0.81 H new HETATM 0 H2 MUB D 101 13.499 -0.821 -1.971 1.00 0.77 H new HETATM 0 H1 MUB D 101 13.797 -2.615 -3.263 1.00 0.78 H new HETATM 1319 C1 NAG D 102 12.301 1.061 -6.376 1.00 0.84 C HETATM 1320 C2 NAG D 102 12.570 1.988 -7.522 1.00 0.94 C HETATM 1321 C3 NAG D 102 11.289 2.650 -7.936 1.00 1.41 C HETATM 1322 C4 NAG D 102 10.206 1.595 -8.219 1.00 2.01 C HETATM 1323 C5 NAG D 102 10.087 0.596 -7.062 1.00 2.01 C HETATM 1324 C6 NAG D 102 9.134 -0.554 -7.366 1.00 2.85 C HETATM 1325 C7 NAG D 102 13.421 3.843 -6.206 1.00 1.57 C HETATM 1326 C8 NAG D 102 14.556 4.806 -5.899 1.00 2.06 C HETATM 1327 N2 NAG D 102 13.605 2.959 -7.165 1.00 1.16 N HETATM 1328 O3 NAG D 102 11.502 3.419 -9.113 1.00 1.60 O HETATM 1329 O4 NAG D 102 8.956 2.245 -8.408 1.00 2.71 O HETATM 1330 O5 NAG D 102 11.372 0.041 -6.761 1.00 1.51 O HETATM 1331 O6 NAG D 102 9.142 -1.531 -6.331 1.00 3.23 O HETATM 1332 O7 NAG D 102 12.334 3.987 -5.647 1.00 2.31 O HETATM 0 HO6 NAG D 102 9.467 -1.125 -5.501 1.00 3.23 H new HETATM 0 HO4 NAG D 102 8.347 1.649 -8.891 1.00 2.71 H new HETATM 0 HO3 NAG D 102 11.258 4.353 -8.942 1.00 1.60 H new HETATM 0 HN2 NAG D 102 14.491 2.951 -7.671 1.00 1.16 H new HETATM 0 H83 NAG D 102 15.440 4.243 -5.600 1.00 2.06 H new HETATM 0 H82 NAG D 102 14.784 5.395 -6.788 1.00 2.06 H new HETATM 0 H81 NAG D 102 14.259 5.472 -5.089 1.00 2.06 H new HETATM 0 H62 NAG D 102 8.123 -0.166 -7.492 1.00 2.85 H new HETATM 0 H61 NAG D 102 9.416 -1.021 -8.310 1.00 2.85 H new HETATM 0 H5 NAG D 102 9.689 1.155 -6.215 1.00 2.01 H new HETATM 0 H4 NAG D 102 10.488 1.047 -9.118 1.00 2.01 H new HETATM 0 H3 NAG D 102 10.958 3.297 -7.124 1.00 1.41 H new HETATM 0 H2 NAG D 102 12.949 1.423 -8.374 1.00 0.94 H new HETATM 1347 C1 MUB G 101 -11.067 5.388 -5.201 1.00 0.78 C HETATM 1348 C2 MUB G 101 -12.452 4.829 -5.466 1.00 0.77 C HETATM 1349 C3 MUB G 101 -12.461 4.030 -6.766 1.00 0.81 C HETATM 1350 C4 MUB G 101 -11.466 4.574 -7.804 1.00 0.87 C HETATM 1351 C5 MUB G 101 -10.049 4.600 -7.243 1.00 1.10 C HETATM 1352 C6 MUB G 101 -9.323 5.869 -7.655 1.00 1.28 C HETATM 1353 C7 MUB G 101 -12.669 2.678 -4.348 1.00 1.81 C HETATM 1354 C8 MUB G 101 -13.161 1.797 -3.212 1.00 2.83 C HETATM 1355 C9 MUB G 101 -14.363 5.212 -7.645 1.00 0.89 C HETATM 1356 C10 MUB G 101 -14.626 5.517 -9.115 1.00 1.09 C HETATM 1357 C11 MUB G 101 -14.932 6.146 -6.534 1.00 1.18 C HETATM 1358 O1 MUB G 101 -10.831 5.459 -3.824 1.00 0.93 O HETATM 1359 O3 MUB G 101 -13.808 3.928 -7.285 1.00 0.86 O HETATM 1360 O4 MUB G 101 -11.592 3.709 -8.965 1.00 1.10 O HETATM 1361 O5 MUB G 101 -10.067 4.528 -5.796 1.00 1.05 O HETATM 1362 O6 MUB G 101 -10.104 6.996 -7.309 1.00 1.13 O HETATM 1363 O7 MUB G 101 -12.153 2.135 -5.342 1.00 2.24 O HETATM 1364 O10 MUB G 101 -15.800 5.559 -9.495 1.00 1.68 O HETATM 1365 N2 MUB G 101 -12.925 3.994 -4.334 1.00 1.07 N HETATM 0 H113 MUB G 101 -14.535 7.152 -6.666 1.00 1.18 H new HETATM 0 H112 MUB G 101 -16.019 6.173 -6.603 1.00 1.18 H new HETATM 0 H111 MUB G 101 -14.640 5.766 -5.555 1.00 1.18 H new HETATM 0 HO6 MUB G 101 -9.633 7.814 -7.574 1.00 1.13 H new HETATM 0 HN2 MUB G 101 -13.436 4.414 -3.558 1.00 1.07 H new HETATM 0 H9 MUB G 101 -13.422 5.763 -7.629 1.00 0.89 H new HETATM 0 H83 MUB G 101 -13.927 1.116 -3.585 1.00 2.83 H new HETATM 0 H82 MUB G 101 -12.327 1.221 -2.811 1.00 2.83 H new HETATM 0 H81 MUB G 101 -13.583 2.421 -2.424 1.00 2.83 H new HETATM 0 H62 MUB G 101 -8.352 5.921 -7.162 1.00 1.28 H new HETATM 0 H61 MUB G 101 -9.135 5.860 -8.729 1.00 1.28 H new HETATM 0 H5 MUB G 101 -9.526 3.734 -7.648 1.00 1.10 H new HETATM 0 H4A MUB G 101 -11.683 5.607 -8.075 1.00 0.87 H new HETATM 0 H3 MUB G 101 -12.114 3.022 -6.539 1.00 0.81 H new HETATM 0 H2 MUB G 101 -13.140 5.668 -5.566 1.00 0.77 H new HETATM 0 H1 MUB G 101 -11.009 6.385 -5.637 1.00 0.78 H new HETATM 1382 C1 NAG G 102 -11.596 2.302 -8.708 1.00 0.84 C HETATM 1383 C2 NAG G 102 -11.333 1.530 -9.982 1.00 0.94 C HETATM 1384 C3 NAG G 102 -11.421 0.054 -9.708 1.00 1.41 C HETATM 1385 C4 NAG G 102 -10.505 -0.331 -8.537 1.00 2.01 C HETATM 1386 C5 NAG G 102 -10.753 0.572 -7.324 1.00 2.01 C HETATM 1387 C6 NAG G 102 -9.763 0.318 -6.193 1.00 2.85 C HETATM 1388 C7 NAG G 102 -13.575 1.788 -10.901 1.00 1.57 C HETATM 1389 C8 NAG G 102 -14.469 2.252 -12.045 1.00 2.06 C HETATM 1390 N2 NAG G 102 -12.267 1.944 -11.033 1.00 1.16 N HETATM 1391 O3 NAG G 102 -11.024 -0.678 -10.862 1.00 1.60 O HETATM 1392 O4 NAG G 102 -10.746 -1.684 -8.174 1.00 2.71 O HETATM 1393 O5 NAG G 102 -10.631 1.949 -7.707 1.00 1.51 O HETATM 1394 O6 NAG G 102 -8.471 0.829 -6.503 1.00 3.23 O HETATM 1395 O7 NAG G 102 -14.077 1.219 -9.932 1.00 2.31 O HETATM 0 HO6 NAG G 102 -8.549 1.515 -7.198 1.00 3.23 H new HETATM 0 HO4 NAG G 102 -9.923 -2.078 -7.816 1.00 2.71 H new HETATM 0 HO3 NAG G 102 -11.082 -1.638 -10.676 1.00 1.60 H new HETATM 0 HN2 NAG G 102 -11.900 2.363 -11.888 1.00 1.16 H new HETATM 0 H83 NAG G 102 -14.326 3.320 -12.208 1.00 2.06 H new HETATM 0 H82 NAG G 102 -14.209 1.708 -12.953 1.00 2.06 H new HETATM 0 H81 NAG G 102 -15.512 2.060 -11.793 1.00 2.06 H new HETATM 0 H62 NAG G 102 -10.129 0.783 -5.277 1.00 2.85 H new HETATM 0 H61 NAG G 102 -9.695 -0.753 -6.002 1.00 2.85 H new HETATM 0 H5 NAG G 102 -11.758 0.343 -6.969 1.00 2.01 H new HETATM 0 H4 NAG G 102 -9.470 -0.206 -8.854 1.00 2.01 H new HETATM 0 H3 NAG G 102 -12.453 -0.185 -9.453 1.00 1.41 H new HETATM 0 H2 NAG G 102 -10.326 1.748 -10.338 1.00 0.94 H new HETATM 1410 C1 MUB H 101 12.409 8.460 6.054 1.00 0.78 C HETATM 1411 C2 MUB H 101 12.939 9.353 4.950 1.00 0.77 C HETATM 1412 C3 MUB H 101 14.449 9.334 4.958 1.00 0.81 C HETATM 1413 C4 MUB H 101 14.981 8.979 6.347 1.00 0.87 C HETATM 1414 C5 MUB H 101 14.540 7.582 6.745 1.00 1.10 C HETATM 1415 C6 MUB H 101 14.465 7.452 8.255 1.00 1.28 C HETATM 1416 C7 MUB H 101 13.089 8.026 2.916 1.00 1.81 C HETATM 1417 C8 MUB H 101 12.590 7.603 1.544 1.00 2.83 C HETATM 1418 C9 MUB H 101 14.380 11.732 5.141 1.00 0.89 C HETATM 1419 C10 MUB H 101 15.132 12.385 6.293 1.00 1.09 C HETATM 1420 C11 MUB H 101 13.154 12.452 4.502 1.00 1.18 C HETATM 1421 O1 MUB H 101 11.119 8.046 5.746 1.00 0.93 O HETATM 1422 O3 MUB H 101 14.971 10.595 4.477 1.00 0.86 O HETATM 1423 O4 MUB H 101 16.423 9.130 6.356 1.00 1.10 O HETATM 1424 O5 MUB H 101 13.242 7.287 6.188 1.00 1.05 O HETATM 1425 O6 MUB H 101 14.042 8.682 8.814 1.00 1.13 O HETATM 1426 O7 MUB H 101 14.169 7.568 3.321 1.00 2.24 O HETATM 1427 O10 MUB H 101 15.078 13.615 6.394 1.00 1.68 O HETATM 1428 N2 MUB H 101 12.417 8.948 3.619 1.00 1.07 N HETATM 0 H113 MUB H 101 12.388 12.608 5.261 1.00 1.18 H new HETATM 0 H112 MUB H 101 13.467 13.415 4.099 1.00 1.18 H new HETATM 0 H111 MUB H 101 12.749 11.837 3.699 1.00 1.18 H new HETATM 0 HO6 MUB H 101 14.817 9.269 8.937 1.00 1.13 H new HETATM 0 HN2 MUB H 101 11.563 9.364 3.247 1.00 1.07 H new HETATM 0 H9 MUB H 101 13.719 11.150 5.783 1.00 0.89 H new HETATM 0 H83 MUB H 101 13.317 7.895 0.786 1.00 2.83 H new HETATM 0 H82 MUB H 101 12.458 6.521 1.522 1.00 2.83 H new HETATM 0 H81 MUB H 101 11.636 8.089 1.338 1.00 2.83 H new HETATM 0 H62 MUB H 101 13.770 6.658 8.528 1.00 1.28 H new HETATM 0 H61 MUB H 101 15.440 7.174 8.656 1.00 1.28 H new HETATM 0 H5 MUB H 101 15.276 6.878 6.357 1.00 1.10 H new HETATM 0 H4A MUB H 101 14.567 9.659 7.092 1.00 0.87 H new HETATM 0 H3 MUB H 101 14.796 8.557 4.277 1.00 0.81 H new HETATM 0 H2 MUB H 101 12.592 10.369 5.138 1.00 0.77 H new HETATM 0 H1 MUB H 101 12.411 9.026 6.986 1.00 0.78 H new HETATM 1445 C1 NAG H 102 17.116 8.547 5.251 1.00 0.84 C HETATM 1446 C2 NAG H 102 18.599 8.784 5.437 1.00 0.94 C HETATM 1447 C3 NAG H 102 19.388 8.157 4.317 1.00 1.41 C HETATM 1448 C4 NAG H 102 18.969 6.692 4.116 1.00 2.01 C HETATM 1449 C5 NAG H 102 17.450 6.574 3.999 1.00 2.01 C HETATM 1450 C6 NAG H 102 16.993 5.129 3.880 1.00 2.85 C HETATM 1451 C7 NAG H 102 18.596 11.065 4.578 1.00 1.57 C HETATM 1452 C8 NAG H 102 18.916 12.538 4.803 1.00 2.06 C HETATM 1453 N2 NAG H 102 18.873 10.217 5.556 1.00 1.16 N HETATM 1454 O3 NAG H 102 20.778 8.203 4.618 1.00 1.60 O HETATM 1455 O4 NAG H 102 19.568 6.192 2.930 1.00 2.71 O HETATM 1456 O5 NAG H 102 16.825 7.146 5.151 1.00 1.51 O HETATM 1457 O6 NAG H 102 15.586 5.038 3.689 1.00 3.23 O HETATM 1458 O7 NAG H 102 18.194 10.692 3.477 1.00 2.31 O HETATM 0 HO6 NAG H 102 15.212 5.937 3.578 1.00 3.23 H new HETATM 0 HO4 NAG H 102 19.726 5.229 3.024 1.00 2.71 H new HETATM 0 HO3 NAG H 102 20.925 7.888 5.534 1.00 1.60 H new HETATM 0 HN2 NAG H 102 19.289 10.572 6.417 1.00 1.16 H new HETATM 0 H83 NAG H 102 18.357 12.904 5.664 1.00 2.06 H new HETATM 0 H82 NAG H 102 19.984 12.654 4.987 1.00 2.06 H new HETATM 0 H81 NAG H 102 18.636 13.110 3.919 1.00 2.06 H new HETATM 0 H62 NAG H 102 17.506 4.652 3.044 1.00 2.85 H new HETATM 0 H61 NAG H 102 17.275 4.583 4.780 1.00 2.85 H new HETATM 0 H5 NAG H 102 17.161 7.107 3.093 1.00 2.01 H new HETATM 0 H4 NAG H 102 19.300 6.114 4.979 1.00 2.01 H new HETATM 0 H3 NAG H 102 19.188 8.717 3.403 1.00 1.41 H new HETATM 0 H2 NAG H 102 18.917 8.305 6.363 1.00 0.94 H new