USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=36 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: B 8 DTH H : 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: E 8 DTH H : 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: F 8 DTH H : 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 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 2 DGL H : D 2 DGL N : D 1 ALA 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 2 DGL H : G 2 DGL N : G 1 ALA 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 2 DGL H : H 2 DGL N : H 1 ALA C :(H bumps) USER MOD NoAdj-H: H 4 DAL H2 : H 4 DAL N : H 3 LYS 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 NoAdj-H: C 101 MUB H9 : C 101 MUB C9 : C 101 MUB C10 :(H bumps) USER MOD Set 1.1: H 3 LYS NZ :NH3+ -129:sc= 1.91 (180deg=-1.7!) USER MOD Set 1.2: H 5 DAL OXT : rot 149:sc= 0.909 USER MOD Set 2.1: C 1 ALA N :NH3+ -138:sc= -1.97! (180deg=-4.54!) USER MOD Set 2.2: C 101 MUB O6 : rot -170:sc= -1.03! USER MOD Set 3.1: C 3 LYS NZ :NH3+ -106:sc= 0.666 (180deg=-3.9!) USER MOD Set 3.2: C 5 DAL OXT : rot 130:sc= 0.77 USER MOD Set 3.3: C 102 NAG O3 : rot 161:sc= 0.954 USER MOD Set 4.1: B 7 SER OG : rot 129:sc= -1.54 USER MOD Set 4.2: E 3 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 3 SER OG : rot -2:sc= 0.303 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 138:sc= 1.26 USER MOD Single : C 102 NAG O4 : rot 33:sc= 1.24 USER MOD Single : C 102 NAG O6 : rot 26:sc= 0.118 USER MOD Single : D 1 ALA N :NH3+ -150:sc= -1.94! (180deg=-3.15!) USER MOD Single : D 3 LYS NZ :NH3+ -141:sc= 0.805 (180deg=0.412) USER MOD Single : D 5 DAL OXT : rot 179:sc= 0 USER MOD Single : D 101 MUB O6 : rot 180:sc= -4.26! USER MOD Single : D 102 NAG O3 : rot 180:sc= 0 USER MOD Single : D 102 NAG O4 : rot 160:sc= 0 USER MOD Single : D 102 NAG O6 : rot 12:sc= 1.15 USER MOD Single : E 7 SER OG : rot 170:sc=-0.00169 USER MOD Single : F 3 SER OG : rot 180:sc= 0 USER MOD Single : F 7 SER OG : rot 180:sc= 0 USER MOD Single : G 1 ALA N :NH3+ -155:sc= -0.211 (180deg=-1.26) USER MOD Single : G 3 LYS NZ :NH3+ -123:sc= 1.06 (180deg=-0.767) USER MOD Single : G 5 DAL OXT : rot 179:sc= 0 USER MOD Single : G 101 MUB O6 : rot 180:sc= -4.24! USER MOD Single : G 102 NAG O3 : rot 180:sc= 0 USER MOD Single : G 102 NAG O4 : rot 160:sc= 0 USER MOD Single : G 102 NAG O6 : rot 24:sc= 1.3 USER MOD Single : H 1 ALA N :NH3+ -165:sc= -0.676 (180deg=-1.26) USER MOD Single : H 101 MUB O6 : rot 180:sc= -5.19! USER MOD Single : H 102 NAG O3 : rot 51:sc= 0.542 USER MOD Single : H 102 NAG O4 : rot 160:sc= 0 USER MOD Single : H 102 NAG O6 : rot -25:sc= 0.09 USER MOD ----------------------------------------------------------------- HETATM 1 N ZAE A 1 8.111 -15.511 1.502 1.00 0.00 N HETATM 2 CA ZAE A 1 8.591 -14.570 0.431 1.00 0.00 C HETATM 3 C ZAE A 1 7.789 -13.266 0.431 1.00 0.00 C HETATM 4 O ZAE A 1 8.172 -12.281 1.060 1.00 0.00 O HETATM 5 CB ZAE A 1 10.084 -14.257 0.595 1.00 0.00 C HETATM 6 CG ZAE A 1 10.825 -14.169 -0.715 1.00 0.00 C HETATM 7 CD1 ZAE A 1 10.385 -14.872 -1.829 1.00 0.00 C HETATM 8 CD2 ZAE A 1 11.966 -13.393 -0.831 1.00 0.00 C HETATM 9 CE1 ZAE A 1 11.069 -14.796 -3.029 1.00 0.00 C HETATM 10 CE2 ZAE A 1 12.651 -13.314 -2.027 1.00 0.00 C HETATM 11 CZ ZAE A 1 12.205 -14.017 -3.127 1.00 0.00 C HETATM 12 C10 ZAE A 1 8.309 -14.942 2.849 1.00 0.00 C HETATM 0 HZ ZAE A 1 12.748 -13.958 -4.071 1.00 0.00 H new HETATM 0 HE2 ZAE A 1 13.545 -12.695 -2.102 1.00 0.00 H new HETATM 0 HE1 ZAE A 1 10.712 -15.351 -3.897 1.00 0.00 H new HETATM 0 HD2 ZAE A 1 12.328 -12.837 0.034 1.00 0.00 H new HETATM 0 HD1 ZAE A 1 9.491 -15.491 -1.757 1.00 0.00 H new HETATM 0 HB3 ZAE A 1 10.193 -13.313 1.130 1.00 0.00 H new HETATM 0 HB2 ZAE A 1 10.544 -15.029 1.213 1.00 0.00 H new HETATM 0 HA ZAE A 1 8.439 -15.072 -0.524 1.00 0.00 H new HETATM 0 H13 ZAE A 1 9.370 -14.748 3.010 1.00 0.00 H new HETATM 0 H12 ZAE A 1 7.753 -14.009 2.935 1.00 0.00 H new HETATM 0 H11 ZAE A 1 7.951 -15.648 3.598 1.00 0.00 H new HETATM 0 H ZAE A 1 7.700 -16.427 1.320 1.00 0.00 H new ATOM 26 N ILE A 2 6.663 -13.281 -0.261 1.00 0.00 N ATOM 27 CA ILE A 2 5.809 -12.116 -0.350 1.00 0.00 C ATOM 28 C ILE A 2 4.752 -12.179 0.751 1.00 0.00 C ATOM 29 O ILE A 2 4.329 -13.270 1.151 1.00 0.00 O ATOM 30 CB ILE A 2 5.141 -12.027 -1.765 1.00 0.00 C ATOM 31 CG1 ILE A 2 4.222 -10.806 -1.882 1.00 0.00 C ATOM 32 CG2 ILE A 2 4.367 -13.299 -2.086 1.00 0.00 C ATOM 33 CD1 ILE A 2 3.430 -10.759 -3.175 1.00 0.00 C ATOM 0 H ILE A 2 6.320 -14.095 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 2 6.410 -11.217 -0.213 1.00 0.00 H new ATOM 0 HB ILE A 2 5.945 -11.915 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.528 -10.803 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.824 -9.901 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.914 -13.210 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.047 -14.151 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.586 -13.448 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.803 -9.867 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.116 -10.730 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.801 -11.646 -3.249 1.00 0.00 H new ATOM 45 N SER A 3 4.411 -11.019 1.300 1.00 0.00 N ATOM 46 CA SER A 3 3.376 -10.906 2.328 1.00 0.00 C ATOM 47 C SER A 3 2.675 -9.565 2.234 1.00 0.00 C ATOM 48 O SER A 3 3.210 -8.586 1.695 1.00 0.00 O ATOM 49 CB SER A 3 3.939 -11.067 3.729 1.00 0.00 C ATOM 50 OG SER A 3 4.519 -12.339 3.901 1.00 0.00 O ATOM 0 H SER A 3 4.842 -10.130 1.047 1.00 0.00 H new ATOM 0 HA SER A 3 2.667 -11.714 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.686 -10.295 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.145 -10.924 4.462 1.00 0.00 H new ATOM 0 HG SER A 3 4.406 -12.864 3.081 1.00 0.00 H new HETATM 56 N DAR A 4 1.494 -9.516 2.814 1.00 0.00 N HETATM 57 CA DAR A 4 0.702 -8.319 2.792 1.00 0.00 C HETATM 58 CB DAR A 4 0.319 -7.938 4.209 1.00 0.00 C HETATM 59 CG DAR A 4 1.526 -7.643 5.076 1.00 0.00 C HETATM 60 CD DAR A 4 2.330 -6.485 4.514 1.00 0.00 C HETATM 61 NE DAR A 4 3.435 -6.107 5.387 1.00 0.00 N HETATM 62 CZ DAR A 4 4.234 -5.066 5.156 1.00 0.00 C HETATM 63 NH1 DAR A 4 5.180 -4.747 6.028 1.00 0.00 N HETATM 64 NH2 DAR A 4 4.096 -4.355 4.040 1.00 0.00 N HETATM 65 C DAR A 4 -0.539 -8.514 1.956 1.00 0.00 C HETATM 66 O DAR A 4 -1.301 -9.455 2.188 1.00 0.00 O HETATM 0 HH22 DAR A 4 4.708 -3.558 3.864 1.00 0.00 H new HETATM 0 HH21 DAR A 4 3.378 -4.607 3.360 1.00 0.00 H new HETATM 0 HH12 DAR A 4 5.791 -3.950 5.849 1.00 0.00 H new HETATM 0 HH11 DAR A 4 5.297 -5.299 6.878 1.00 0.00 H new HETATM 0 HG3 DAR A 4 1.201 -7.407 6.089 1.00 0.00 H new HETATM 0 HG2 DAR A 4 2.156 -8.530 5.142 1.00 0.00 H new HETATM 0 HE DAR A 4 3.606 -6.670 6.220 1.00 0.00 H new HETATM 0 HD3 DAR A 4 2.721 -6.758 3.534 1.00 0.00 H new HETATM 0 HD2 DAR A 4 1.674 -5.627 4.368 1.00 0.00 H new HETATM 0 HB3 DAR A 4 -0.329 -7.062 4.184 1.00 0.00 H new HETATM 0 HB2 DAR A 4 -0.257 -8.748 4.657 1.00 0.00 H new HETATM 0 HA DAR A 4 1.291 -7.517 2.346 1.00 0.00 H new HETATM 80 N 28J A 5 -0.735 -7.650 0.967 1.00 0.00 N HETATM 81 CA 28J A 5 -1.912 -7.734 0.140 1.00 0.00 C HETATM 82 CB 28J A 5 -1.601 -8.226 -1.307 1.00 0.00 C HETATM 83 CG2 28J A 5 -0.103 -8.325 -1.513 1.00 0.00 C HETATM 84 CG1 28J A 5 -2.239 -9.603 -1.570 1.00 0.00 C HETATM 85 CD1 28J A 5 -2.018 -10.118 -2.983 1.00 0.00 C HETATM 86 C 28J A 5 -2.610 -6.381 0.117 1.00 0.00 C HETATM 87 O 28J A 5 -2.206 -5.430 0.801 1.00 0.00 O ATOM 98 N ILE A 6 -3.693 -6.336 -0.603 1.00 0.00 N ATOM 99 CA ILE A 6 -4.479 -5.138 -0.768 1.00 0.00 C ATOM 100 C ILE A 6 -5.867 -5.263 -0.091 1.00 0.00 C ATOM 101 O ILE A 6 -6.609 -6.194 -0.401 1.00 0.00 O ATOM 102 CB ILE A 6 -4.592 -4.875 -2.298 1.00 0.00 C ATOM 103 CG1 ILE A 6 -6.020 -4.542 -2.728 1.00 0.00 C ATOM 104 CG2 ILE A 6 -4.036 -6.071 -3.109 1.00 0.00 C ATOM 105 CD1 ILE A 6 -6.122 -4.142 -4.155 1.00 0.00 C ATOM 0 H ILE A 6 -4.065 -7.143 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.997 -4.293 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.982 -3.998 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.657 -5.409 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.402 -3.735 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.127 -5.862 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.987 -6.225 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.603 -6.970 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.161 -3.919 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.511 -3.257 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.769 -4.957 -4.787 1.00 0.00 H new ATOM 117 N SER A 7 -6.174 -4.395 0.907 1.00 0.00 N ATOM 118 CA SER A 7 -7.494 -4.414 1.580 1.00 0.00 C ATOM 119 C SER A 7 -7.817 -3.067 2.209 1.00 0.00 C ATOM 120 O SER A 7 -6.934 -2.219 2.413 1.00 0.00 O ATOM 121 CB SER A 7 -7.580 -5.483 2.664 1.00 0.00 C ATOM 122 OG SER A 7 -6.345 -5.667 3.312 1.00 0.00 O ATOM 0 H SER A 7 -5.533 -3.683 1.258 1.00 0.00 H new ATOM 0 HA SER A 7 -8.219 -4.644 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.336 -5.199 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.903 -6.425 2.221 1.00 0.00 H new ATOM 0 HG SER A 7 -6.437 -6.357 4.001 1.00 0.00 H new HETATM 128 N DTH A 8 -9.095 -2.891 2.540 1.00 0.00 N HETATM 129 CA DTH A 8 -9.574 -1.668 3.183 1.00 0.00 C HETATM 130 CB DTH A 8 -9.854 -1.807 4.691 1.00 0.00 C HETATM 131 CG2 DTH A 8 -8.601 -2.252 5.403 1.00 0.00 C HETATM 132 OG1 DTH A 8 -10.923 -2.733 4.913 1.00 0.00 O HETATM 133 C DTH A 8 -10.922 -1.210 2.595 1.00 0.00 C HETATM 134 O DTH A 8 -11.312 -0.058 2.739 1.00 0.00 O HETATM 0 HG23 DTH A 8 -8.279 -3.215 5.006 1.00 0.00 H new HETATM 0 HG22 DTH A 8 -7.813 -1.514 5.249 1.00 0.00 H new HETATM 0 HG21 DTH A 8 -8.804 -2.349 6.470 1.00 0.00 H new HETATM 0 HB DTH A 8 -10.156 -0.839 5.091 1.00 0.00 H new HETATM 0 HA DTH A 8 -8.760 -0.965 3.007 1.00 0.00 H new ATOM 141 N ALA A 9 -11.648 -2.127 1.961 1.00 0.00 N ATOM 142 CA ALA A 9 -12.956 -1.832 1.428 1.00 0.00 C ATOM 143 C ALA A 9 -14.013 -2.042 2.510 1.00 0.00 C ATOM 144 O ALA A 9 -14.556 -1.074 3.040 1.00 0.00 O ATOM 145 CB ALA A 9 -13.201 -2.717 0.240 1.00 0.00 C ATOM 0 H ALA A 9 -11.340 -3.087 1.808 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.013 -0.792 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.187 -2.505 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.441 -2.528 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.154 -3.761 0.548 1.00 0.00 H new ATOM 151 N LEU A 10 -14.307 -3.294 2.842 1.00 0.00 N ATOM 152 CA LEU A 10 -15.268 -3.604 3.907 1.00 0.00 C ATOM 153 C LEU A 10 -14.563 -3.575 5.243 1.00 0.00 C ATOM 154 O LEU A 10 -15.159 -3.308 6.288 1.00 0.00 O ATOM 155 CB LEU A 10 -15.917 -4.974 3.720 1.00 0.00 C ATOM 156 CG LEU A 10 -15.032 -6.075 3.106 1.00 0.00 C ATOM 157 CD1 LEU A 10 -14.658 -5.723 1.680 1.00 0.00 C ATOM 158 CD2 LEU A 10 -13.773 -6.353 3.923 1.00 0.00 C ATOM 0 H LEU A 10 -13.897 -4.113 2.393 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.055 -2.851 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.268 -5.321 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.797 -4.851 3.088 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.626 -6.989 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.033 -6.512 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.563 -5.622 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.109 -4.781 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.191 -7.138 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.174 -5.445 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.054 -6.675 4.926 1.00 0.00 H new ATOM 170 N ILE A 11 -13.281 -3.874 5.200 1.00 0.00 N ATOM 171 CA ILE A 11 -12.476 -3.888 6.415 1.00 0.00 C ATOM 172 C ILE A 11 -11.330 -2.903 6.270 1.00 0.00 C ATOM 173 O ILE A 11 -10.835 -2.308 7.233 1.00 0.00 O ATOM 174 CB ILE A 11 -11.934 -5.298 6.757 1.00 0.00 C ATOM 175 CG1 ILE A 11 -13.008 -6.133 7.468 1.00 0.00 C ATOM 176 CG2 ILE A 11 -10.700 -5.191 7.636 1.00 0.00 C ATOM 177 CD1 ILE A 11 -12.491 -7.443 8.029 1.00 0.00 C ATOM 0 H ILE A 11 -12.773 -4.109 4.347 1.00 0.00 H new ATOM 0 HA ILE A 11 -13.122 -3.594 7.242 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.665 -5.794 5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.435 -5.544 8.280 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -13.816 -6.342 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.331 -6.190 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.926 -4.631 7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.956 -4.675 8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.307 -7.977 8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.090 -8.053 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.704 -7.242 8.756 1.00 0.00 H new TER 189 ILE A 11 HETATM 190 N ZAE B 1 -9.196 4.080 2.315 1.00 0.00 N HETATM 191 CA ZAE B 1 -9.812 3.135 1.357 1.00 0.00 C HETATM 192 C ZAE B 1 -8.928 1.912 1.194 1.00 0.00 C HETATM 193 O ZAE B 1 -9.061 0.930 1.919 1.00 0.00 O HETATM 194 CB ZAE B 1 -11.199 2.718 1.846 1.00 0.00 C HETATM 195 CG ZAE B 1 -12.075 2.118 0.792 1.00 0.00 C HETATM 196 CD1 ZAE B 1 -11.526 1.462 -0.293 1.00 0.00 C HETATM 197 CD2 ZAE B 1 -13.457 2.253 0.863 1.00 0.00 C HETATM 198 CE1 ZAE B 1 -12.326 0.931 -1.284 1.00 0.00 C HETATM 199 CE2 ZAE B 1 -14.269 1.718 -0.123 1.00 0.00 C HETATM 200 CZ ZAE B 1 -13.701 1.070 -1.209 1.00 0.00 C HETATM 201 C10 ZAE B 1 -9.474 3.674 3.692 1.00 0.00 C HETATM 0 HZ ZAE B 1 -14.335 0.671 -2.001 1.00 0.00 H new HETATM 0 HE2 ZAE B 1 -15.353 1.806 -0.045 1.00 0.00 H new HETATM 0 HE1 ZAE B 1 -11.876 0.403 -2.125 1.00 0.00 H new HETATM 0 HD2 ZAE B 1 -13.905 2.785 1.702 1.00 0.00 H new HETATM 0 HD1 ZAE B 1 -10.443 1.362 -0.367 1.00 0.00 H new HETATM 0 HB3 ZAE B 1 -11.083 1.999 2.657 1.00 0.00 H new HETATM 0 HB2 ZAE B 1 -11.701 3.591 2.264 1.00 0.00 H new HETATM 0 HA ZAE B 1 -9.915 3.629 0.391 1.00 0.00 H new HETATM 0 H13 ZAE B 1 -10.551 3.658 3.856 1.00 0.00 H new HETATM 0 H12 ZAE B 1 -9.066 2.679 3.867 1.00 0.00 H new HETATM 0 H11 ZAE B 1 -9.012 4.382 4.380 1.00 0.00 H new HETATM 0 H ZAE B 1 -8.652 4.902 2.051 1.00 0.00 H new ATOM 215 N ILE B 2 -7.992 1.998 0.274 1.00 0.00 N ATOM 216 CA ILE B 2 -7.111 0.890 0.028 1.00 0.00 C ATOM 217 C ILE B 2 -5.760 1.148 0.671 1.00 0.00 C ATOM 218 O ILE B 2 -5.206 2.256 0.575 1.00 0.00 O ATOM 219 CB ILE B 2 -6.975 0.619 -1.496 1.00 0.00 C ATOM 220 CG1 ILE B 2 -6.744 -0.867 -1.757 1.00 0.00 C ATOM 221 CG2 ILE B 2 -5.862 1.450 -2.118 1.00 0.00 C ATOM 222 CD1 ILE B 2 -5.326 -1.315 -1.494 1.00 0.00 C ATOM 0 H ILE B 2 -7.826 2.819 -0.309 1.00 0.00 H new ATOM 0 HA ILE B 2 -7.537 -0.006 0.479 1.00 0.00 H new ATOM 0 HB ILE B 2 -7.911 0.917 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -7.421 -1.447 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -7.000 -1.089 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -5.798 1.233 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.076 2.509 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -4.914 1.204 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -5.237 -2.382 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -4.644 -0.762 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.072 -1.125 -0.451 1.00 0.00 H new ATOM 234 N SER B 3 -5.293 0.135 1.391 1.00 0.00 N ATOM 235 CA SER B 3 -4.007 0.164 2.051 1.00 0.00 C ATOM 236 C SER B 3 -3.399 -1.215 2.082 1.00 0.00 C ATOM 237 O SER B 3 -4.078 -2.242 1.928 1.00 0.00 O ATOM 238 CB SER B 3 -4.113 0.665 3.472 1.00 0.00 C ATOM 239 OG SER B 3 -5.166 1.592 3.604 1.00 0.00 O ATOM 0 H SER B 3 -5.807 -0.735 1.530 1.00 0.00 H new ATOM 0 HA SER B 3 -3.378 0.846 1.480 1.00 0.00 H new ATOM 0 HB2 SER B 3 -4.277 -0.176 4.146 1.00 0.00 H new ATOM 0 HB3 SER B 3 -3.174 1.132 3.768 1.00 0.00 H new ATOM 0 HG SER B 3 -5.655 1.415 4.435 1.00 0.00 H new HETATM 245 N DAR B 4 -2.120 -1.221 2.319 1.00 0.00 N HETATM 246 CA DAR B 4 -1.373 -2.443 2.370 1.00 0.00 C HETATM 247 CB DAR B 4 -0.660 -2.579 3.704 1.00 0.00 C HETATM 248 CG DAR B 4 -1.593 -2.551 4.901 1.00 0.00 C HETATM 249 CD DAR B 4 -2.130 -3.935 5.229 1.00 0.00 C HETATM 250 NE DAR B 4 -2.802 -3.969 6.526 1.00 0.00 N HETATM 251 CZ DAR B 4 -3.790 -4.813 6.829 1.00 0.00 C HETATM 252 NH1 DAR B 4 -4.318 -4.804 8.045 1.00 0.00 N HETATM 253 NH2 DAR B 4 -4.266 -5.646 5.911 1.00 0.00 N HETATM 254 C DAR B 4 -0.367 -2.440 1.255 1.00 0.00 C HETATM 255 O DAR B 4 0.323 -1.433 1.065 1.00 0.00 O HETATM 0 HH22 DAR B 4 -5.021 -6.289 6.148 1.00 0.00 H new HETATM 0 HH21 DAR B 4 -3.876 -5.643 4.968 1.00 0.00 H new HETATM 0 HH12 DAR B 4 -5.073 -5.449 8.278 1.00 0.00 H new HETATM 0 HH11 DAR B 4 -3.969 -4.152 8.748 1.00 0.00 H new HETATM 0 HG3 DAR B 4 -1.063 -2.152 5.766 1.00 0.00 H new HETATM 0 HG2 DAR B 4 -2.425 -1.877 4.698 1.00 0.00 H new HETATM 0 HE DAR B 4 -2.498 -3.309 7.242 1.00 0.00 H new HETATM 0 HD3 DAR B 4 -2.827 -4.247 4.451 1.00 0.00 H new HETATM 0 HD2 DAR B 4 -1.309 -4.652 5.227 1.00 0.00 H new HETATM 0 HB3 DAR B 4 -0.100 -3.514 3.713 1.00 0.00 H new HETATM 0 HB2 DAR B 4 0.066 -1.772 3.802 1.00 0.00 H new HETATM 0 HA DAR B 4 -2.054 -3.286 2.259 1.00 0.00 H new HETATM 269 N 28J B 5 -0.303 -3.537 0.502 1.00 0.00 N HETATM 270 CA 28J B 5 0.636 -3.644 -0.595 1.00 0.00 C HETATM 271 CB 28J B 5 -0.060 -3.461 -1.976 1.00 0.00 C HETATM 272 CG2 28J B 5 -1.572 -3.382 -1.826 1.00 0.00 C HETATM 273 CG1 28J B 5 0.464 -2.205 -2.681 1.00 0.00 C HETATM 274 CD1 28J B 5 0.130 -2.145 -4.160 1.00 0.00 C HETATM 275 C 28J B 5 1.342 -4.996 -0.582 1.00 0.00 C HETATM 276 O 28J B 5 1.081 -5.856 0.273 1.00 0.00 O ATOM 287 N ILE B 6 2.309 -5.142 -1.475 1.00 0.00 N ATOM 288 CA ILE B 6 2.988 -6.423 -1.642 1.00 0.00 C ATOM 289 C ILE B 6 4.512 -6.346 -1.414 1.00 0.00 C ATOM 290 O ILE B 6 5.230 -5.624 -2.129 1.00 0.00 O ATOM 291 CB ILE B 6 2.613 -7.022 -3.036 1.00 0.00 C ATOM 292 CG1 ILE B 6 3.847 -7.310 -3.893 1.00 0.00 C ATOM 293 CG2 ILE B 6 1.598 -6.140 -3.815 1.00 0.00 C ATOM 294 CD1 ILE B 6 3.612 -7.204 -5.375 1.00 0.00 C ATOM 0 H ILE B 6 2.640 -4.399 -2.091 1.00 0.00 H new ATOM 0 HA ILE B 6 2.638 -7.098 -0.861 1.00 0.00 H new ATOM 0 HB ILE B 6 2.123 -7.972 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE B 6 4.639 -6.616 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.207 -8.313 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.374 -6.605 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE B 6 0.680 -6.044 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE B 6 2.027 -5.152 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.538 -7.423 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.844 -7.918 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE B 6 3.284 -6.194 -5.620 1.00 0.00 H new ATOM 306 N SER B 7 5.006 -7.034 -0.363 1.00 0.00 N ATOM 307 CA SER B 7 6.425 -6.981 -0.044 1.00 0.00 C ATOM 308 C SER B 7 6.918 -8.132 0.831 1.00 0.00 C ATOM 309 O SER B 7 6.177 -8.686 1.658 1.00 0.00 O ATOM 310 CB SER B 7 6.712 -5.694 0.698 1.00 0.00 C ATOM 311 OG SER B 7 6.310 -4.574 -0.046 1.00 0.00 O ATOM 0 H SER B 7 4.447 -7.617 0.260 1.00 0.00 H new ATOM 0 HA SER B 7 6.948 -7.050 -0.998 1.00 0.00 H new ATOM 0 HB2 SER B 7 6.193 -5.701 1.657 1.00 0.00 H new ATOM 0 HB3 SER B 7 7.778 -5.626 0.913 1.00 0.00 H new ATOM 0 HG SER B 7 5.746 -3.997 0.510 1.00 0.00 H new HETATM 317 N DTH B 8 8.210 -8.437 0.652 1.00 0.00 N HETATM 318 CA DTH B 8 8.908 -9.471 1.466 1.00 0.00 C HETATM 319 CB DTH B 8 9.589 -8.866 2.727 1.00 0.00 C HETATM 320 CG2 DTH B 8 8.576 -8.363 3.706 1.00 0.00 C HETATM 321 OG1 DTH B 8 10.526 -7.847 2.346 1.00 0.00 O HETATM 322 C DTH B 8 10.213 -10.133 0.907 1.00 0.00 C HETATM 323 O DTH B 8 10.790 -10.925 1.651 1.00 0.00 O HETATM 0 HG23 DTH B 8 7.969 -7.589 3.236 1.00 0.00 H new HETATM 0 HG22 DTH B 8 7.934 -9.186 4.021 1.00 0.00 H new HETATM 0 HG21 DTH B 8 9.085 -7.947 4.575 1.00 0.00 H new HETATM 0 HB DTH B 8 10.144 -9.655 3.233 1.00 0.00 H new HETATM 0 HA DTH B 8 8.070 -10.161 1.563 1.00 0.00 H new ATOM 330 N ALA B 9 10.800 -9.637 -0.199 1.00 0.00 N ATOM 331 CA ALA B 9 12.105 -10.072 -0.683 1.00 0.00 C ATOM 332 C ALA B 9 13.146 -9.163 -0.067 1.00 0.00 C ATOM 333 O ALA B 9 13.857 -9.512 0.871 1.00 0.00 O ATOM 334 CB ALA B 9 12.195 -9.953 -2.184 1.00 0.00 C ATOM 0 H ALA B 9 10.370 -8.917 -0.780 1.00 0.00 H new ATOM 0 HA ALA B 9 12.262 -11.115 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA B 9 13.179 -10.284 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA B 9 11.428 -10.575 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA B 9 12.044 -8.914 -2.476 1.00 0.00 H new ATOM 340 N LEU B 10 13.135 -7.996 -0.600 1.00 0.00 N ATOM 341 CA LEU B 10 14.062 -6.947 -0.212 1.00 0.00 C ATOM 342 C LEU B 10 13.802 -6.526 1.220 1.00 0.00 C ATOM 343 O LEU B 10 14.732 -6.268 1.994 1.00 0.00 O ATOM 344 CB LEU B 10 13.927 -5.720 -1.131 1.00 0.00 C ATOM 345 CG LEU B 10 13.868 -6.009 -2.640 1.00 0.00 C ATOM 346 CD1 LEU B 10 14.464 -7.359 -2.940 1.00 0.00 C ATOM 347 CD2 LEU B 10 12.447 -5.942 -3.186 1.00 0.00 C ATOM 0 H LEU B 10 12.480 -7.719 -1.331 1.00 0.00 H new ATOM 0 HA LEU B 10 15.073 -7.345 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU B 10 13.024 -5.178 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU B 10 14.770 -5.055 -0.942 1.00 0.00 H new ATOM 0 HG LEU B 10 14.451 -5.232 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU B 10 14.415 -7.548 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU B 10 15.505 -7.378 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU B 10 13.905 -8.130 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU B 10 12.458 -6.153 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU B 10 11.826 -6.679 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU B 10 12.039 -4.945 -3.017 1.00 0.00 H new ATOM 359 N ILE B 11 12.523 -6.515 1.572 1.00 0.00 N ATOM 360 CA ILE B 11 12.100 -6.090 2.901 1.00 0.00 C ATOM 361 C ILE B 11 11.112 -7.113 3.420 1.00 0.00 C ATOM 362 O ILE B 11 10.867 -7.276 4.618 1.00 0.00 O ATOM 363 CB ILE B 11 11.446 -4.675 2.910 1.00 0.00 C ATOM 364 CG1 ILE B 11 12.449 -3.563 2.550 1.00 0.00 C ATOM 365 CG2 ILE B 11 10.858 -4.396 4.278 1.00 0.00 C ATOM 366 CD1 ILE B 11 12.073 -2.190 3.099 1.00 0.00 C ATOM 0 H ILE B 11 11.760 -6.795 0.956 1.00 0.00 H new ATOM 0 HA ILE B 11 12.983 -6.023 3.537 1.00 0.00 H new ATOM 0 HB ILE B 11 10.664 -4.673 2.150 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.433 -3.838 2.929 1.00 0.00 H new ATOM 0 HG13 ILE B 11 12.532 -3.499 1.465 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.401 -3.406 4.283 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.101 -5.146 4.509 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.648 -4.435 5.028 1.00 0.00 H new ATOM 0 HD11 ILE B 11 12.827 -1.461 2.803 1.00 0.00 H new ATOM 0 HD12 ILE B 11 11.104 -1.891 2.700 1.00 0.00 H new ATOM 0 HD13 ILE B 11 12.019 -2.235 4.187 1.00 0.00 H new TER 378 ILE B 11 HETATM 379 N ZAE E 1 8.053 -4.665 -2.019 1.00 0.00 N HETATM 380 CA ZAE E 1 8.105 -3.914 -3.302 1.00 0.00 C HETATM 381 C ZAE E 1 7.356 -2.601 -3.179 1.00 0.00 C HETATM 382 O ZAE E 1 7.957 -1.533 -3.062 1.00 0.00 O HETATM 383 CB ZAE E 1 9.557 -3.648 -3.717 1.00 0.00 C HETATM 384 CG ZAE E 1 9.751 -3.423 -5.189 1.00 0.00 C HETATM 385 CD1 ZAE E 1 8.776 -3.798 -6.099 1.00 0.00 C HETATM 386 CD2 ZAE E 1 10.941 -2.887 -5.673 1.00 0.00 C HETATM 387 CE1 ZAE E 1 8.960 -3.615 -7.458 1.00 0.00 C HETATM 388 CE2 ZAE E 1 11.129 -2.695 -7.036 1.00 0.00 C HETATM 389 CZ ZAE E 1 10.144 -3.079 -7.930 1.00 0.00 C HETATM 390 C10 ZAE E 1 9.239 -4.399 -1.195 1.00 0.00 C HETATM 0 HZ ZAE E 1 10.301 -2.959 -9.002 1.00 0.00 H new HETATM 0 HE2 ZAE E 1 12.051 -2.243 -7.401 1.00 0.00 H new HETATM 0 HE1 ZAE E 1 8.171 -3.893 -8.157 1.00 0.00 H new HETATM 0 HD2 ZAE E 1 11.733 -2.615 -4.976 1.00 0.00 H new HETATM 0 HD1 ZAE E 1 7.849 -4.244 -5.739 1.00 0.00 H new HETATM 0 HB3 ZAE E 1 9.922 -2.774 -3.177 1.00 0.00 H new HETATM 0 HB2 ZAE E 1 10.171 -4.493 -3.407 1.00 0.00 H new HETATM 0 HA ZAE E 1 7.628 -4.524 -4.070 1.00 0.00 H new HETATM 0 H13 ZAE E 1 10.134 -4.702 -1.737 1.00 0.00 H new HETATM 0 H12 ZAE E 1 9.294 -3.334 -0.970 1.00 0.00 H new HETATM 0 H11 ZAE E 1 9.170 -4.963 -0.265 1.00 0.00 H new HETATM 0 H ZAE E 1 7.291 -5.286 -1.746 1.00 0.00 H new ATOM 404 N ILE E 2 6.043 -2.684 -3.172 1.00 0.00 N ATOM 405 CA ILE E 2 5.233 -1.501 -3.072 1.00 0.00 C ATOM 406 C ILE E 2 4.261 -1.632 -1.924 1.00 0.00 C ATOM 407 O ILE E 2 3.656 -2.699 -1.716 1.00 0.00 O ATOM 408 CB ILE E 2 4.489 -1.200 -4.399 1.00 0.00 C ATOM 409 CG1 ILE E 2 3.364 -0.191 -4.150 1.00 0.00 C ATOM 410 CG2 ILE E 2 3.954 -2.480 -5.032 1.00 0.00 C ATOM 411 CD1 ILE E 2 2.569 0.161 -5.378 1.00 0.00 C ATOM 0 H ILE E 2 5.520 -3.558 -3.234 1.00 0.00 H new ATOM 0 HA ILE E 2 5.894 -0.656 -2.877 1.00 0.00 H new ATOM 0 HB ILE E 2 5.196 -0.762 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE E 2 2.688 -0.596 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE E 2 3.794 0.721 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE E 2 3.437 -2.238 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE E 2 4.783 -3.155 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE E 2 3.259 -2.963 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE E 2 1.793 0.880 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE E 2 3.230 0.598 -6.127 1.00 0.00 H new ATOM 0 HD13 ILE E 2 2.107 -0.739 -5.783 1.00 0.00 H new ATOM 423 N SER E 3 4.177 -0.567 -1.146 1.00 0.00 N ATOM 424 CA SER E 3 3.270 -0.489 -0.031 1.00 0.00 C ATOM 425 C SER E 3 2.732 0.911 0.091 1.00 0.00 C ATOM 426 O SER E 3 3.373 1.898 -0.306 1.00 0.00 O ATOM 427 CB SER E 3 3.932 -0.884 1.280 1.00 0.00 C ATOM 428 OG SER E 3 4.442 -2.202 1.230 1.00 0.00 O ATOM 0 H SER E 3 4.744 0.271 -1.277 1.00 0.00 H new ATOM 0 HA SER E 3 2.461 -1.194 -0.224 1.00 0.00 H new ATOM 0 HB2 SER E 3 4.741 -0.189 1.504 1.00 0.00 H new ATOM 0 HB3 SER E 3 3.209 -0.804 2.092 1.00 0.00 H new ATOM 0 HG SER E 3 4.862 -2.423 2.087 1.00 0.00 H new HETATM 434 N DAR E 4 1.551 0.984 0.636 1.00 0.00 N HETATM 435 CA DAR E 4 0.877 2.241 0.835 1.00 0.00 C HETATM 436 CB DAR E 4 0.850 2.614 2.312 1.00 0.00 C HETATM 437 CG DAR E 4 2.194 3.023 2.886 1.00 0.00 C HETATM 438 CD DAR E 4 2.760 4.235 2.170 1.00 0.00 C HETATM 439 NE DAR E 4 3.987 4.710 2.795 1.00 0.00 N HETATM 440 CZ DAR E 4 4.724 5.712 2.320 1.00 0.00 C HETATM 441 NH1 DAR E 4 5.828 6.081 2.953 1.00 0.00 N HETATM 442 NH2 DAR E 4 4.363 6.338 1.202 1.00 0.00 N HETATM 443 C DAR E 4 -0.533 2.113 0.340 1.00 0.00 C HETATM 444 O DAR E 4 -1.290 1.289 0.863 1.00 0.00 O HETATM 0 HH22 DAR E 4 4.930 7.105 0.841 1.00 0.00 H new HETATM 0 HH21 DAR E 4 3.519 6.050 0.706 1.00 0.00 H new HETATM 0 HH12 DAR E 4 6.392 6.849 2.589 1.00 0.00 H new HETATM 0 HH11 DAR E 4 6.114 5.597 3.804 1.00 0.00 H new HETATM 0 HG3 DAR E 4 2.085 3.245 3.948 1.00 0.00 H new HETATM 0 HG2 DAR E 4 2.894 2.191 2.804 1.00 0.00 H new HETATM 0 HE DAR E 4 4.301 4.247 3.648 1.00 0.00 H new HETATM 0 HD3 DAR E 4 2.957 3.982 1.128 1.00 0.00 H new HETATM 0 HD2 DAR E 4 2.020 5.035 2.169 1.00 0.00 H new HETATM 0 HB3 DAR E 4 0.145 3.433 2.453 1.00 0.00 H new HETATM 0 HB2 DAR E 4 0.470 1.765 2.881 1.00 0.00 H new HETATM 0 HA DAR E 4 1.411 3.019 0.289 1.00 0.00 H new HETATM 458 N 28J E 5 -0.889 2.905 -0.667 1.00 0.00 N HETATM 459 CA 28J E 5 -2.233 2.859 -1.210 1.00 0.00 C HETATM 460 CB 28J E 5 -2.269 2.137 -2.585 1.00 0.00 C HETATM 461 CG2 28J E 5 -1.073 2.538 -3.442 1.00 0.00 C HETATM 462 CG1 28J E 5 -2.302 0.618 -2.395 1.00 0.00 C HETATM 463 CD1 28J E 5 -2.722 -0.145 -3.638 1.00 0.00 C HETATM 464 C 28J E 5 -2.818 4.256 -1.376 1.00 0.00 C HETATM 465 O 28J E 5 -2.090 5.261 -1.324 1.00 0.00 O ATOM 476 N ILE E 6 -4.152 4.311 -1.480 1.00 0.00 N ATOM 477 CA ILE E 6 -4.849 5.571 -1.756 1.00 0.00 C ATOM 478 C ILE E 6 -6.072 5.825 -0.855 1.00 0.00 C ATOM 479 O ILE E 6 -7.044 5.037 -0.847 1.00 0.00 O ATOM 480 CB ILE E 6 -5.247 5.631 -3.267 1.00 0.00 C ATOM 481 CG1 ILE E 6 -6.713 6.054 -3.446 1.00 0.00 C ATOM 482 CG2 ILE E 6 -4.981 4.292 -3.994 1.00 0.00 C ATOM 483 CD1 ILE E 6 -7.126 6.279 -4.876 1.00 0.00 C ATOM 0 H ILE E 6 -4.766 3.503 -1.378 1.00 0.00 H new ATOM 0 HA ILE E 6 -4.149 6.372 -1.520 1.00 0.00 H new ATOM 0 HB ILE E 6 -4.611 6.389 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE E 6 -7.355 5.288 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE E 6 -6.885 6.971 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE E 6 -5.273 4.382 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE E 6 -3.920 4.049 -3.933 1.00 0.00 H new ATOM 0 HG23 ILE E 6 -5.562 3.500 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE E 6 -8.175 6.574 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE E 6 -6.513 7.068 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE E 6 -6.990 5.358 -5.443 1.00 0.00 H new ATOM 495 N SER E 7 -5.980 6.871 -0.011 1.00 0.00 N ATOM 496 CA SER E 7 -7.078 7.183 0.898 1.00 0.00 C ATOM 497 C SER E 7 -6.940 8.520 1.632 1.00 0.00 C ATOM 498 O SER E 7 -5.886 9.174 1.623 1.00 0.00 O ATOM 499 CB SER E 7 -7.164 6.102 1.932 1.00 0.00 C ATOM 500 OG SER E 7 -5.996 6.077 2.711 1.00 0.00 O ATOM 0 H SER E 7 -5.175 7.494 0.054 1.00 0.00 H new ATOM 0 HA SER E 7 -7.971 7.254 0.277 1.00 0.00 H new ATOM 0 HB2 SER E 7 -8.031 6.269 2.571 1.00 0.00 H new ATOM 0 HB3 SER E 7 -7.306 5.136 1.447 1.00 0.00 H new ATOM 0 HG SER E 7 -6.127 5.482 3.479 1.00 0.00 H new HETATM 506 N DTH E 8 -8.041 8.864 2.317 1.00 0.00 N HETATM 507 CA DTH E 8 -8.121 10.057 3.182 1.00 0.00 C HETATM 508 CB DTH E 8 -7.912 9.755 4.698 1.00 0.00 C HETATM 509 CG2 DTH E 8 -6.550 9.156 4.937 1.00 0.00 C HETATM 510 OG1 DTH E 8 -8.962 8.909 5.192 1.00 0.00 O HETATM 511 C DTH E 8 -9.513 10.708 3.235 1.00 0.00 C HETATM 512 O DTH E 8 -9.658 11.678 3.969 1.00 0.00 O HETATM 0 HG23 DTH E 8 -6.458 8.226 4.376 1.00 0.00 H new HETATM 0 HG22 DTH E 8 -5.782 9.856 4.608 1.00 0.00 H new HETATM 0 HG21 DTH E 8 -6.424 8.953 6.000 1.00 0.00 H new HETATM 0 HB DTH E 8 -7.958 10.692 5.253 1.00 0.00 H new HETATM 0 HA DTH E 8 -7.349 10.680 2.730 1.00 0.00 H new ATOM 519 N ALA E 9 -10.545 10.066 2.655 1.00 0.00 N ATOM 520 CA ALA E 9 -11.922 10.546 2.716 1.00 0.00 C ATOM 521 C ALA E 9 -12.543 10.088 4.004 1.00 0.00 C ATOM 522 O ALA E 9 -12.812 10.855 4.924 1.00 0.00 O ATOM 523 CB ALA E 9 -12.726 9.981 1.569 1.00 0.00 C ATOM 0 H ALA E 9 -10.437 9.197 2.131 1.00 0.00 H new ATOM 0 HA ALA E 9 -11.919 11.634 2.655 1.00 0.00 H new ATOM 0 HB1 ALA E 9 -13.751 10.348 1.628 1.00 0.00 H new ATOM 0 HB2 ALA E 9 -12.282 10.294 0.624 1.00 0.00 H new ATOM 0 HB3 ALA E 9 -12.726 8.893 1.626 1.00 0.00 H new ATOM 529 N LEU E 10 -12.703 8.812 4.023 1.00 0.00 N ATOM 530 CA LEU E 10 -13.318 8.107 5.129 1.00 0.00 C ATOM 531 C LEU E 10 -12.377 8.084 6.316 1.00 0.00 C ATOM 532 O LEU E 10 -12.774 8.325 7.462 1.00 0.00 O ATOM 533 CB LEU E 10 -13.667 6.661 4.726 1.00 0.00 C ATOM 534 CG LEU E 10 -14.557 6.502 3.478 1.00 0.00 C ATOM 535 CD1 LEU E 10 -15.099 7.836 3.046 1.00 0.00 C ATOM 536 CD2 LEU E 10 -13.815 5.851 2.315 1.00 0.00 C ATOM 0 H LEU E 10 -12.409 8.201 3.261 1.00 0.00 H new ATOM 0 HA LEU E 10 -14.235 8.630 5.399 1.00 0.00 H new ATOM 0 HB2 LEU E 10 -12.737 6.118 4.556 1.00 0.00 H new ATOM 0 HB3 LEU E 10 -14.167 6.181 5.567 1.00 0.00 H new ATOM 0 HG LEU E 10 -15.379 5.843 3.758 1.00 0.00 H new ATOM 0 HD11 LEU E 10 -15.725 7.706 2.163 1.00 0.00 H new ATOM 0 HD12 LEU E 10 -15.693 8.266 3.852 1.00 0.00 H new ATOM 0 HD13 LEU E 10 -14.272 8.505 2.808 1.00 0.00 H new ATOM 0 HD21 LEU E 10 -14.485 5.762 1.460 1.00 0.00 H new ATOM 0 HD22 LEU E 10 -12.957 6.466 2.041 1.00 0.00 H new ATOM 0 HD23 LEU E 10 -13.471 4.860 2.612 1.00 0.00 H new ATOM 548 N ILE E 11 -11.109 7.846 6.005 1.00 0.00 N ATOM 549 CA ILE E 11 -10.076 7.741 7.026 1.00 0.00 C ATOM 550 C ILE E 11 -8.905 8.599 6.585 1.00 0.00 C ATOM 551 O ILE E 11 -8.022 8.981 7.356 1.00 0.00 O ATOM 552 CB ILE E 11 -9.595 6.273 7.265 1.00 0.00 C ATOM 553 CG1 ILE E 11 -10.758 5.320 7.619 1.00 0.00 C ATOM 554 CG2 ILE E 11 -8.577 6.251 8.388 1.00 0.00 C ATOM 555 CD1 ILE E 11 -10.338 3.862 7.788 1.00 0.00 C ATOM 0 H ILE E 11 -10.771 7.722 5.051 1.00 0.00 H new ATOM 0 HA ILE E 11 -10.494 8.081 7.973 1.00 0.00 H new ATOM 0 HB ILE E 11 -9.151 5.922 6.333 1.00 0.00 H new ATOM 0 HG12 ILE E 11 -11.226 5.662 8.542 1.00 0.00 H new ATOM 0 HG13 ILE E 11 -11.515 5.381 6.837 1.00 0.00 H new ATOM 0 HG21 ILE E 11 -8.241 5.227 8.555 1.00 0.00 H new ATOM 0 HG22 ILE E 11 -7.724 6.873 8.118 1.00 0.00 H new ATOM 0 HG23 ILE E 11 -9.033 6.637 9.300 1.00 0.00 H new ATOM 0 HD11 ILE E 11 -11.211 3.258 8.035 1.00 0.00 H new ATOM 0 HD12 ILE E 11 -9.898 3.500 6.859 1.00 0.00 H new ATOM 0 HD13 ILE E 11 -9.605 3.785 8.591 1.00 0.00 H new TER 567 ILE E 11 HETATM 568 N ZAE F 1 -8.137 15.005 0.598 1.00 0.00 N HETATM 569 CA ZAE F 1 -8.626 14.195 -0.574 1.00 0.00 C HETATM 570 C ZAE F 1 -7.938 12.831 -0.638 1.00 0.00 C HETATM 571 O ZAE F 1 -8.439 11.840 -0.104 1.00 0.00 O HETATM 572 CB ZAE F 1 -10.150 13.998 -0.518 1.00 0.00 C HETATM 573 CG ZAE F 1 -10.744 13.573 -1.841 1.00 0.00 C HETATM 574 CD1 ZAE F 1 -10.352 14.191 -3.027 1.00 0.00 C HETATM 575 CD2 ZAE F 1 -11.782 12.639 -1.886 1.00 0.00 C HETATM 576 CE1 ZAE F 1 -10.887 13.790 -4.246 1.00 0.00 C HETATM 577 CE2 ZAE F 1 -12.317 12.234 -3.104 1.00 0.00 C HETATM 578 CZ ZAE F 1 -11.917 12.859 -4.277 1.00 0.00 C HETATM 579 C10 ZAE F 1 -8.434 14.335 1.880 1.00 0.00 C HETATM 0 HZ ZAE F 1 -12.410 12.620 -5.219 1.00 0.00 H new HETATM 0 HE2 ZAE F 1 -13.049 11.427 -3.137 1.00 0.00 H new HETATM 0 HE1 ZAE F 1 -10.499 14.206 -5.176 1.00 0.00 H new HETATM 0 HD2 ZAE F 1 -12.176 12.224 -0.958 1.00 0.00 H new HETATM 0 HD1 ZAE F 1 -9.619 14.997 -2.999 1.00 0.00 H new HETATM 0 HB3 ZAE F 1 -10.385 13.247 0.237 1.00 0.00 H new HETATM 0 HB2 ZAE F 1 -10.619 14.929 -0.199 1.00 0.00 H new HETATM 0 HA ZAE F 1 -8.374 14.757 -1.474 1.00 0.00 H new HETATM 0 H13 ZAE F 1 -9.511 14.200 1.979 1.00 0.00 H new HETATM 0 H12 ZAE F 1 -7.943 13.362 1.904 1.00 0.00 H new HETATM 0 H11 ZAE F 1 -8.067 14.947 2.704 1.00 0.00 H new HETATM 0 H ZAE F 1 -7.661 15.903 0.516 1.00 0.00 H new ATOM 593 N ILE F 2 -6.777 12.788 -1.271 1.00 0.00 N ATOM 594 CA ILE F 2 -6.034 11.551 -1.407 1.00 0.00 C ATOM 595 C ILE F 2 -4.734 11.638 -0.612 1.00 0.00 C ATOM 596 O ILE F 2 -4.144 12.717 -0.491 1.00 0.00 O ATOM 597 CB ILE F 2 -5.728 11.245 -2.909 1.00 0.00 C ATOM 598 CG1 ILE F 2 -5.073 9.864 -3.065 1.00 0.00 C ATOM 599 CG2 ILE F 2 -4.851 12.331 -3.518 1.00 0.00 C ATOM 600 CD1 ILE F 2 -4.669 9.521 -4.482 1.00 0.00 C ATOM 0 H ILE F 2 -6.330 13.599 -1.699 1.00 0.00 H new ATOM 0 HA ILE F 2 -6.643 10.737 -1.013 1.00 0.00 H new ATOM 0 HB ILE F 2 -6.675 11.233 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE F 2 -4.190 9.820 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE F 2 -5.765 9.104 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE F 2 -4.652 12.095 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE F 2 -5.363 13.291 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE F 2 -3.909 12.386 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE F 2 -4.215 8.530 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE F 2 -5.550 9.529 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE F 2 -3.950 10.256 -4.843 1.00 0.00 H new ATOM 612 N SER F 3 -4.338 10.527 -0.007 1.00 0.00 N ATOM 613 CA SER F 3 -3.080 10.458 0.731 1.00 0.00 C ATOM 614 C SER F 3 -2.512 9.045 0.669 1.00 0.00 C ATOM 615 O SER F 3 -3.218 8.078 0.344 1.00 0.00 O ATOM 616 CB SER F 3 -3.210 10.916 2.196 1.00 0.00 C ATOM 617 OG SER F 3 -3.787 12.207 2.307 1.00 0.00 O ATOM 0 H SER F 3 -4.870 9.657 -0.012 1.00 0.00 H new ATOM 0 HA SER F 3 -2.395 11.154 0.247 1.00 0.00 H new ATOM 0 HB2 SER F 3 -3.820 10.199 2.746 1.00 0.00 H new ATOM 0 HB3 SER F 3 -2.225 10.919 2.662 1.00 0.00 H new ATOM 0 HG SER F 3 -3.852 12.456 3.253 1.00 0.00 H new HETATM 623 N DAR F 4 -1.235 8.935 0.999 1.00 0.00 N HETATM 624 CA DAR F 4 -0.543 7.662 0.965 1.00 0.00 C HETATM 625 CB DAR F 4 -0.020 7.340 2.346 1.00 0.00 C HETATM 626 CG DAR F 4 -1.118 7.042 3.329 1.00 0.00 C HETATM 627 CD DAR F 4 -2.029 5.949 2.810 1.00 0.00 C HETATM 628 NE DAR F 4 -2.855 5.414 3.874 1.00 0.00 N HETATM 629 CZ DAR F 4 -3.651 4.357 3.740 1.00 0.00 C HETATM 630 NH1 DAR F 4 -4.302 3.893 4.796 1.00 0.00 N HETATM 631 NH2 DAR F 4 -3.802 3.781 2.556 1.00 0.00 N HETATM 632 C DAR F 4 0.623 7.688 0.001 1.00 0.00 C HETATM 633 O DAR F 4 1.560 8.464 0.188 1.00 0.00 O HETATM 0 HH22 DAR F 4 -4.413 2.971 2.457 1.00 0.00 H new HETATM 0 HH21 DAR F 4 -3.307 4.148 1.743 1.00 0.00 H new HETATM 0 HH12 DAR F 4 -4.915 3.083 4.702 1.00 0.00 H new HETATM 0 HH11 DAR F 4 -4.191 4.346 5.703 1.00 0.00 H new HETATM 0 HG3 DAR F 4 -0.685 6.738 4.282 1.00 0.00 H new HETATM 0 HG2 DAR F 4 -1.698 7.945 3.517 1.00 0.00 H new HETATM 0 HE DAR F 4 -2.824 5.877 4.782 1.00 0.00 H new HETATM 0 HD3 DAR F 4 -2.663 6.345 2.017 1.00 0.00 H new HETATM 0 HD2 DAR F 4 -1.431 5.150 2.372 1.00 0.00 H new HETATM 0 HB3 DAR F 4 0.650 6.482 2.285 1.00 0.00 H new HETATM 0 HB2 DAR F 4 0.570 8.180 2.711 1.00 0.00 H new HETATM 0 HA DAR F 4 -1.252 6.904 0.632 1.00 0.00 H new HETATM 647 N 28J F 5 0.583 6.835 -1.020 1.00 0.00 N HETATM 648 CA 28J F 5 1.681 6.780 -1.974 1.00 0.00 C HETATM 649 CB 28J F 5 1.300 7.462 -3.320 1.00 0.00 C HETATM 650 CG2 28J F 5 -0.201 7.369 -3.556 1.00 0.00 C HETATM 651 CG1 28J F 5 1.730 8.937 -3.318 1.00 0.00 C HETATM 652 CD1 28J F 5 1.569 9.622 -4.662 1.00 0.00 C HETATM 653 C 28J F 5 2.155 5.332 -2.207 1.00 0.00 C HETATM 654 O 28J F 5 1.588 4.379 -1.647 1.00 0.00 O ATOM 665 N ILE F 6 3.242 5.210 -2.991 1.00 0.00 N ATOM 666 CA ILE F 6 3.844 3.914 -3.358 1.00 0.00 C ATOM 667 C ILE F 6 5.355 3.836 -3.007 1.00 0.00 C ATOM 668 O ILE F 6 6.182 4.499 -3.635 1.00 0.00 O ATOM 669 CB ILE F 6 3.655 3.688 -4.897 1.00 0.00 C ATOM 670 CG1 ILE F 6 4.765 2.794 -5.485 1.00 0.00 C ATOM 671 CG2 ILE F 6 3.599 5.027 -5.649 1.00 0.00 C ATOM 672 CD1 ILE F 6 4.701 2.639 -6.984 1.00 0.00 C ATOM 0 H ILE F 6 3.730 6.012 -3.390 1.00 0.00 H new ATOM 0 HA ILE F 6 3.340 3.138 -2.782 1.00 0.00 H new ATOM 0 HB ILE F 6 2.704 3.173 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE F 6 5.735 3.212 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE F 6 4.704 1.808 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE F 6 3.467 4.840 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE F 6 2.762 5.618 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE F 6 4.528 5.574 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE F 6 5.515 1.996 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE F 6 3.747 2.191 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE F 6 4.794 3.617 -7.455 1.00 0.00 H new ATOM 684 N SER F 7 5.691 3.051 -1.966 1.00 0.00 N ATOM 685 CA SER F 7 7.099 2.843 -1.532 1.00 0.00 C ATOM 686 C SER F 7 7.208 1.572 -0.690 1.00 0.00 C ATOM 687 O SER F 7 6.194 0.998 -0.276 1.00 0.00 O ATOM 688 CB SER F 7 7.571 4.007 -0.687 1.00 0.00 C ATOM 689 OG SER F 7 6.587 4.356 0.259 1.00 0.00 O ATOM 0 H SER F 7 5.008 2.545 -1.403 1.00 0.00 H new ATOM 0 HA SER F 7 7.716 2.759 -2.427 1.00 0.00 H new ATOM 0 HB2 SER F 7 8.498 3.743 -0.177 1.00 0.00 H new ATOM 0 HB3 SER F 7 7.791 4.863 -1.325 1.00 0.00 H new ATOM 0 HG SER F 7 6.906 5.109 0.800 1.00 0.00 H new HETATM 695 N DTH F 8 8.447 1.171 -0.385 1.00 0.00 N HETATM 696 CA DTH F 8 8.731 -0.010 0.444 1.00 0.00 C HETATM 697 CB DTH F 8 9.067 0.338 1.924 1.00 0.00 C HETATM 698 CG2 DTH F 8 8.041 1.326 2.454 1.00 0.00 C HETATM 699 OG1 DTH F 8 10.399 0.877 2.016 1.00 0.00 O HETATM 700 C DTH F 8 9.898 -0.831 -0.141 1.00 0.00 C HETATM 701 O DTH F 8 9.915 -2.040 0.002 1.00 0.00 O HETATM 0 HG23 DTH F 8 8.065 2.234 1.852 1.00 0.00 H new HETATM 0 HG22 DTH F 8 7.047 0.882 2.401 1.00 0.00 H new HETATM 0 HG21 DTH F 8 8.274 1.572 3.490 1.00 0.00 H new HETATM 0 HB DTH F 8 9.028 -0.566 2.531 1.00 0.00 H new HETATM 0 HA DTH F 8 7.810 -0.594 0.435 1.00 0.00 H new ATOM 708 N ALA F 9 10.833 -0.127 -0.832 1.00 0.00 N ATOM 709 CA ALA F 9 11.980 -0.614 -1.462 1.00 0.00 C ATOM 710 C ALA F 9 13.048 -0.702 -0.380 1.00 0.00 C ATOM 711 O ALA F 9 13.180 -1.717 0.305 1.00 0.00 O ATOM 712 CB ALA F 9 12.226 0.454 -2.554 1.00 0.00 C ATOM 0 H ALA F 9 10.748 0.883 -0.942 1.00 0.00 H new ATOM 0 HA ALA F 9 11.941 -1.602 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA F 9 13.112 0.188 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA F 9 11.362 0.502 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA F 9 12.377 1.426 -2.085 1.00 0.00 H new ATOM 718 N LEU F 10 13.724 0.415 -0.174 1.00 0.00 N ATOM 719 CA LEU F 10 14.783 0.593 0.826 1.00 0.00 C ATOM 720 C LEU F 10 14.221 0.930 2.209 1.00 0.00 C ATOM 721 O LEU F 10 14.884 0.794 3.241 1.00 0.00 O ATOM 722 CB LEU F 10 15.691 1.737 0.378 1.00 0.00 C ATOM 723 CG LEU F 10 14.991 2.961 -0.256 1.00 0.00 C ATOM 724 CD1 LEU F 10 14.416 2.593 -1.600 1.00 0.00 C ATOM 725 CD2 LEU F 10 13.908 3.559 0.635 1.00 0.00 C ATOM 0 H LEU F 10 13.549 1.261 -0.716 1.00 0.00 H new ATOM 0 HA LEU F 10 15.331 -0.346 0.905 1.00 0.00 H new ATOM 0 HB2 LEU F 10 16.262 2.079 1.242 1.00 0.00 H new ATOM 0 HB3 LEU F 10 16.408 1.342 -0.342 1.00 0.00 H new ATOM 0 HG LEU F 10 15.754 3.730 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU F 10 13.926 3.463 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU F 10 15.217 2.259 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU F 10 13.689 1.790 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU F 10 13.455 4.414 0.133 1.00 0.00 H new ATOM 0 HD22 LEU F 10 13.143 2.808 0.833 1.00 0.00 H new ATOM 0 HD23 LEU F 10 14.350 3.883 1.577 1.00 0.00 H new ATOM 737 N ILE F 11 12.991 1.372 2.183 1.00 0.00 N ATOM 738 CA ILE F 11 12.259 1.783 3.401 1.00 0.00 C ATOM 739 C ILE F 11 10.833 1.243 3.331 1.00 0.00 C ATOM 740 O ILE F 11 10.124 1.145 4.340 1.00 0.00 O ATOM 741 CB ILE F 11 12.199 3.336 3.636 1.00 0.00 C ATOM 742 CG1 ILE F 11 13.559 3.912 4.071 1.00 0.00 C ATOM 743 CG2 ILE F 11 11.157 3.679 4.700 1.00 0.00 C ATOM 744 CD1 ILE F 11 13.608 5.436 4.084 1.00 0.00 C ATOM 0 H ILE F 11 12.448 1.466 1.325 1.00 0.00 H new ATOM 0 HA ILE F 11 12.816 1.367 4.241 1.00 0.00 H new ATOM 0 HB ILE F 11 11.923 3.784 2.682 1.00 0.00 H new ATOM 0 HG12 ILE F 11 13.797 3.542 5.068 1.00 0.00 H new ATOM 0 HG13 ILE F 11 14.332 3.539 3.399 1.00 0.00 H new ATOM 0 HG21 ILE F 11 11.130 4.759 4.849 1.00 0.00 H new ATOM 0 HG22 ILE F 11 10.176 3.333 4.373 1.00 0.00 H new ATOM 0 HG23 ILE F 11 11.420 3.190 5.638 1.00 0.00 H new ATOM 0 HD11 ILE F 11 14.598 5.766 4.401 1.00 0.00 H new ATOM 0 HD12 ILE F 11 13.402 5.815 3.083 1.00 0.00 H new ATOM 0 HD13 ILE F 11 12.859 5.818 4.778 1.00 0.00 H new TER 756 ILE F 11 ATOM 757 N ALA C 1 -12.080 -11.291 5.238 1.00 0.96 N ATOM 758 CA ALA C 1 -13.010 -11.724 6.313 1.00 1.33 C ATOM 759 C ALA C 1 -14.149 -12.598 5.785 1.00 1.47 C ATOM 760 O ALA C 1 -13.912 -13.535 4.994 1.00 2.22 O ATOM 761 CB ALA C 1 -13.603 -10.511 6.978 1.00 1.64 C ATOM 0 H2 ALA C 1 -11.100 -11.363 5.577 1.00 0.96 H new ATOM 0 H3 ALA C 1 -12.204 -11.901 4.405 1.00 0.96 H new ATOM 0 HA ALA C 1 -12.431 -12.318 7.021 1.00 1.33 H new ATOM 0 HB1 ALA C 1 -14.286 -10.826 7.767 1.00 1.64 H new ATOM 0 HB2 ALA C 1 -12.805 -9.906 7.409 1.00 1.64 H new ATOM 0 HB3 ALA C 1 -14.148 -9.922 6.241 1.00 1.64 H new HETATM 767 N DGL C 2 -15.416 -12.420 6.343 1.00 1.40 N HETATM 768 CA DGL C 2 -16.493 -13.123 5.653 1.00 1.77 C HETATM 769 C DGL C 2 -16.383 -13.508 4.177 1.00 2.75 C HETATM 770 O DGL C 2 -16.275 -12.502 3.394 1.00 3.37 O HETATM 771 CB DGL C 2 -16.526 -14.576 6.105 1.00 1.85 C HETATM 772 CG DGL C 2 -15.253 -15.109 6.856 1.00 1.57 C HETATM 773 CD DGL C 2 -14.703 -16.369 6.182 1.00 1.38 C HETATM 774 OE1 DGL C 2 -14.835 -17.466 6.720 1.00 1.94 O HETATM 0 HG3 DGL C 2 -14.485 -14.336 6.870 1.00 1.57 H new HETATM 0 HG2 DGL C 2 -15.504 -15.328 7.894 1.00 1.57 H new HETATM 0 HB3 DGL C 2 -17.388 -14.710 6.759 1.00 1.85 H new HETATM 0 HB2 DGL C 2 -16.691 -15.202 5.228 1.00 1.85 H new HETATM 0 HA DGL C 2 -17.282 -12.397 5.849 1.00 1.77 H new HETATM 0 H2 DGL C 2 -15.516 -12.175 7.328 1.00 1.40 H new ATOM 781 N LYS C 3 -14.102 -16.219 5.014 1.00 1.36 N ATOM 782 CA LYS C 3 -13.517 -17.295 4.265 1.00 1.66 C ATOM 783 C LYS C 3 -14.561 -18.123 3.454 1.00 1.80 C ATOM 784 O LYS C 3 -14.602 -19.377 3.502 1.00 2.55 O ATOM 785 CB LYS C 3 -12.493 -18.054 5.117 1.00 1.94 C ATOM 786 CG LYS C 3 -11.154 -18.143 4.347 1.00 2.15 C ATOM 787 CD LYS C 3 -10.812 -19.558 3.797 1.00 2.64 C ATOM 788 CE LYS C 3 -11.663 -20.196 2.587 1.00 2.86 C ATOM 789 NZ LYS C 3 -12.503 -19.423 1.553 1.00 3.55 N1+ ATOM 0 HA LYS C 3 -12.918 -16.890 3.449 1.00 1.66 H new ATOM 0 HB2 LYS C 3 -12.345 -17.544 6.069 1.00 1.94 H new ATOM 0 HB3 LYS C 3 -12.862 -19.054 5.345 1.00 1.94 H new ATOM 0 HG2 LYS C 3 -11.183 -17.441 3.513 1.00 2.15 H new ATOM 0 HG3 LYS C 3 -10.349 -17.821 5.007 1.00 2.15 H new ATOM 0 HD2 LYS C 3 -9.769 -19.536 3.480 1.00 2.64 H new ATOM 0 HD3 LYS C 3 -10.875 -20.252 4.635 1.00 2.64 H new ATOM 0 HE2 LYS C 3 -10.951 -20.782 2.006 1.00 2.86 H new ATOM 0 HE3 LYS C 3 -12.351 -20.902 3.053 1.00 2.86 H new ATOM 0 HZ1 LYS C 3 -13.514 -19.546 1.765 1.00 3.55 H new ATOM 0 HZ2 LYS C 3 -12.261 -18.412 1.595 1.00 3.55 H new ATOM 0 HZ3 LYS C 3 -12.302 -19.788 0.600 1.00 3.55 H new HETATM 803 N DAL C 4 -15.419 -17.258 2.780 1.00 1.63 N HETATM 804 CA DAL C 4 -16.557 -17.562 1.734 1.00 1.95 C HETATM 805 CB DAL C 4 -18.055 -18.080 2.349 1.00 2.37 C HETATM 806 C DAL C 4 -15.645 -18.297 0.545 1.00 2.54 C HETATM 807 O DAL C 4 -15.279 -19.472 0.637 1.00 2.89 O HETATM 0 HB3 DAL C 4 -17.918 -19.005 2.909 1.00 2.37 H new HETATM 0 HB2 DAL C 4 -18.462 -17.314 3.009 1.00 2.37 H new HETATM 0 HB1 DAL C 4 -18.746 -18.254 1.524 1.00 2.37 H new HETATM 0 HA DAL C 4 -17.125 -16.753 1.275 1.00 1.95 H new HETATM 813 N DAL C 5 -15.311 -17.495 -0.525 1.00 3.12 N HETATM 814 CA DAL C 5 -14.524 -17.939 -1.767 1.00 4.20 C HETATM 815 CB DAL C 5 -15.479 -18.989 -2.366 1.00 4.89 C HETATM 816 C DAL C 5 -13.102 -18.481 -1.203 1.00 4.93 C HETATM 817 O DAL C 5 -12.269 -17.617 -0.977 1.00 5.41 O HETATM 818 OXT DAL C 5 -12.870 -19.763 -1.028 1.00 5.04 O HETATM 0 HXT DAL C 5 -12.021 -20.003 -1.454 1.00 5.04 H new HETATM 0 HB3 DAL C 5 -15.638 -19.790 -1.644 1.00 4.89 H new HETATM 0 HB2 DAL C 5 -16.434 -18.519 -2.603 1.00 4.89 H new HETATM 0 HB1 DAL C 5 -15.042 -19.401 -3.275 1.00 4.89 H new HETATM 0 HA DAL C 5 -14.267 -17.211 -2.536 1.00 4.20 H new TER 824 DAL C 5 ATOM 825 N ALA D 1 13.574 -13.750 -7.715 1.00 0.96 N ATOM 826 CA ALA D 1 13.779 -15.161 -8.088 1.00 1.33 C ATOM 827 C ALA D 1 12.730 -15.599 -9.119 1.00 1.47 C ATOM 828 O ALA D 1 11.685 -14.951 -9.250 1.00 2.22 O ATOM 829 CB ALA D 1 13.721 -16.034 -6.846 1.00 1.64 C ATOM 0 H2 ALA D 1 14.487 -13.322 -7.461 1.00 0.96 H new ATOM 0 H3 ALA D 1 13.161 -13.235 -8.519 1.00 0.96 H new ATOM 0 HA ALA D 1 14.763 -15.272 -8.544 1.00 1.33 H new ATOM 0 HB1 ALA D 1 13.873 -17.076 -7.126 1.00 1.64 H new ATOM 0 HB2 ALA D 1 14.502 -15.728 -6.149 1.00 1.64 H new ATOM 0 HB3 ALA D 1 12.747 -15.925 -6.370 1.00 1.64 H new HETATM 835 N DGL D 2 13.113 -16.599 -9.990 1.00 1.40 N HETATM 836 CA DGL D 2 11.987 -17.094 -10.836 1.00 1.77 C HETATM 837 C DGL D 2 10.502 -16.888 -10.449 1.00 2.75 C HETATM 838 O DGL D 2 9.678 -16.417 -11.236 1.00 3.32 O HETATM 839 CB DGL D 2 11.982 -16.326 -12.113 1.00 1.85 C HETATM 840 CG DGL D 2 12.113 -14.741 -11.982 1.00 1.57 C HETATM 841 CD DGL D 2 10.956 -13.993 -12.670 1.00 1.38 C HETATM 842 OE1 DGL D 2 11.148 -13.369 -13.709 1.00 1.94 O HETATM 0 HG3 DGL D 2 12.141 -14.468 -10.927 1.00 1.57 H new HETATM 0 HG2 DGL D 2 13.059 -14.421 -12.419 1.00 1.57 H new HETATM 0 HB3 DGL D 2 12.802 -16.687 -12.733 1.00 1.85 H new HETATM 0 HB2 DGL D 2 11.057 -16.551 -12.644 1.00 1.85 H new HETATM 0 HA DGL D 2 12.213 -18.159 -10.792 1.00 1.77 H new HETATM 0 H2 DGL D 2 14.078 -16.756 -10.282 1.00 1.40 H new ATOM 849 N LYS D 3 9.763 -14.062 -12.099 1.00 1.36 N ATOM 850 CA LYS D 3 8.582 -13.406 -12.608 1.00 1.66 C ATOM 851 C LYS D 3 7.888 -14.149 -13.790 1.00 1.80 C ATOM 852 O LYS D 3 7.774 -13.633 -14.926 1.00 2.55 O ATOM 853 CB LYS D 3 8.829 -11.904 -12.740 1.00 1.94 C ATOM 854 CG LYS D 3 8.147 -11.160 -11.558 1.00 2.15 C ATOM 855 CD LYS D 3 6.590 -10.984 -11.703 1.00 2.64 C ATOM 856 CE LYS D 3 5.619 -12.257 -11.535 1.00 2.86 C ATOM 857 NZ LYS D 3 5.267 -13.036 -10.255 1.00 3.55 N1+ ATOM 0 HA LYS D 3 7.782 -13.484 -11.872 1.00 1.66 H new ATOM 0 HB2 LYS D 3 9.900 -11.700 -12.743 1.00 1.94 H new ATOM 0 HB3 LYS D 3 8.433 -11.542 -13.689 1.00 1.94 H new ATOM 0 HG2 LYS D 3 8.353 -11.704 -10.636 1.00 2.15 H new ATOM 0 HG3 LYS D 3 8.602 -10.175 -11.455 1.00 2.15 H new ATOM 0 HD2 LYS D 3 6.278 -10.239 -10.971 1.00 2.64 H new ATOM 0 HD3 LYS D 3 6.402 -10.560 -12.689 1.00 2.64 H new ATOM 0 HE2 LYS D 3 4.660 -11.934 -11.940 1.00 2.86 H new ATOM 0 HE3 LYS D 3 6.017 -13.006 -12.219 1.00 2.86 H new ATOM 0 HZ1 LYS D 3 5.216 -14.052 -10.470 1.00 3.55 H new ATOM 0 HZ2 LYS D 3 5.999 -12.870 -9.535 1.00 3.55 H new ATOM 0 HZ3 LYS D 3 4.347 -12.712 -9.894 1.00 3.55 H new HETATM 871 N DAL D 4 7.520 -15.424 -13.391 1.00 1.63 N HETATM 872 CA DAL D 4 6.698 -16.543 -14.136 1.00 1.95 C HETATM 873 CB DAL D 4 7.077 -16.838 -15.761 1.00 2.37 C HETATM 874 C DAL D 4 5.174 -16.212 -13.503 1.00 2.54 C HETATM 875 O DAL D 4 4.523 -15.223 -13.847 1.00 2.89 O HETATM 0 HB3 DAL D 4 6.920 -15.929 -16.342 1.00 2.37 H new HETATM 0 HB2 DAL D 4 8.120 -17.144 -15.842 1.00 2.37 H new HETATM 0 HB1 DAL D 4 6.435 -17.631 -16.146 1.00 2.37 H new HETATM 0 HA DAL D 4 6.928 -17.597 -13.978 1.00 1.95 H new HETATM 0 H2 DAL D 4 7.324 -15.214 -12.412 1.00 1.63 H new HETATM 881 N DAL D 5 4.723 -17.109 -12.558 1.00 3.12 N HETATM 882 CA DAL D 5 3.343 -17.064 -11.857 1.00 4.20 C HETATM 883 CB DAL D 5 2.399 -17.279 -13.052 1.00 4.89 C HETATM 884 C DAL D 5 3.277 -15.615 -11.130 1.00 4.93 C HETATM 885 O DAL D 5 4.238 -15.340 -10.438 1.00 5.41 O HETATM 886 OXT DAL D 5 2.239 -14.816 -11.279 1.00 5.04 O HETATM 0 HXT DAL D 5 2.376 -14.000 -10.754 1.00 5.04 H new HETATM 0 HB3 DAL D 5 2.544 -16.479 -13.779 1.00 4.89 H new HETATM 0 HB2 DAL D 5 2.618 -18.239 -13.520 1.00 4.89 H new HETATM 0 HB1 DAL D 5 1.366 -17.271 -12.705 1.00 4.89 H new HETATM 0 HA DAL D 5 3.107 -17.787 -11.076 1.00 4.20 H new TER 892 DAL D 5 ATOM 893 N ALA G 1 -19.553 10.076 -3.090 1.00 0.96 N ATOM 894 CA ALA G 1 -20.282 11.066 -3.904 1.00 1.33 C ATOM 895 C ALA G 1 -20.018 10.828 -5.398 1.00 1.47 C ATOM 896 O ALA G 1 -19.053 10.139 -5.752 1.00 2.22 O ATOM 897 CB ALA G 1 -19.869 12.471 -3.495 1.00 1.64 C ATOM 0 H2 ALA G 1 -20.034 9.957 -2.176 1.00 0.96 H new ATOM 0 H3 ALA G 1 -19.530 9.165 -3.590 1.00 0.96 H new ATOM 0 HA ALA G 1 -21.352 10.955 -3.731 1.00 1.33 H new ATOM 0 HB1 ALA G 1 -20.410 13.200 -4.099 1.00 1.64 H new ATOM 0 HB2 ALA G 1 -20.103 12.627 -2.442 1.00 1.64 H new ATOM 0 HB3 ALA G 1 -18.797 12.595 -3.651 1.00 1.64 H new HETATM 903 N DGL G 2 -21.007 11.247 -6.266 1.00 1.40 N HETATM 904 CA DGL G 2 -20.599 11.149 -7.698 1.00 1.77 C HETATM 905 C DGL G 2 -19.119 11.059 -8.141 1.00 2.75 C HETATM 906 O DGL G 2 -18.709 10.162 -8.884 1.00 3.32 O HETATM 907 CB DGL G 2 -21.059 9.835 -8.232 1.00 1.85 C HETATM 908 CG DGL G 2 -20.768 8.561 -7.316 1.00 1.57 C HETATM 909 CD DGL G 2 -19.802 7.561 -7.979 1.00 1.38 C HETATM 910 OE1 DGL G 2 -20.229 6.663 -8.694 1.00 1.94 O HETATM 0 HG3 DGL G 2 -20.348 8.890 -6.366 1.00 1.57 H new HETATM 0 HG2 DGL G 2 -21.708 8.057 -7.092 1.00 1.57 H new HETATM 0 HB3 DGL G 2 -22.133 9.893 -8.406 1.00 1.85 H new HETATM 0 HB2 DGL G 2 -20.587 9.675 -9.201 1.00 1.85 H new HETATM 0 HA DGL G 2 -21.007 12.100 -8.041 1.00 1.77 H new HETATM 0 H2 DGL G 2 -21.995 11.304 -6.020 1.00 1.40 H new ATOM 917 N LYS G 3 -18.506 7.724 -7.745 1.00 1.36 N ATOM 918 CA LYS G 3 -17.472 6.862 -8.272 1.00 1.66 C ATOM 919 C LYS G 3 -17.222 7.041 -9.805 1.00 1.80 C ATOM 920 O LYS G 3 -16.889 6.078 -10.542 1.00 2.55 O ATOM 921 CB LYS G 3 -17.630 5.448 -7.733 1.00 1.94 C ATOM 922 CG LYS G 3 -16.281 4.937 -7.141 1.00 2.15 C ATOM 923 CD LYS G 3 -15.047 5.272 -8.079 1.00 2.64 C ATOM 924 CE LYS G 3 -14.013 6.408 -7.547 1.00 2.86 C ATOM 925 NZ LYS G 3 -13.674 7.711 -8.362 1.00 3.55 N1+ ATOM 0 HA LYS G 3 -16.504 7.183 -7.888 1.00 1.66 H new ATOM 0 HB2 LYS G 3 -18.402 5.430 -6.964 1.00 1.94 H new ATOM 0 HB3 LYS G 3 -17.959 4.783 -8.531 1.00 1.94 H new ATOM 0 HG2 LYS G 3 -16.123 5.388 -6.161 1.00 2.15 H new ATOM 0 HG3 LYS G 3 -16.338 3.859 -6.990 1.00 2.15 H new ATOM 0 HD2 LYS G 3 -14.486 4.352 -8.245 1.00 2.64 H new ATOM 0 HD3 LYS G 3 -15.432 5.590 -9.048 1.00 2.64 H new ATOM 0 HE2 LYS G 3 -14.389 6.738 -6.579 1.00 2.86 H new ATOM 0 HE3 LYS G 3 -13.065 5.902 -7.365 1.00 2.86 H new ATOM 0 HZ1 LYS G 3 -12.648 7.763 -8.522 1.00 3.55 H new ATOM 0 HZ2 LYS G 3 -14.166 7.686 -9.278 1.00 3.55 H new ATOM 0 HZ3 LYS G 3 -13.984 8.546 -7.825 1.00 3.55 H new HETATM 939 N DAL G 4 -17.457 8.343 -10.177 1.00 1.63 N HETATM 940 CA DAL G 4 -17.250 9.088 -11.550 1.00 1.95 C HETATM 941 CB DAL G 4 -17.300 8.167 -12.964 1.00 2.37 C HETATM 942 C DAL G 4 -16.020 10.132 -11.067 1.00 2.54 C HETATM 943 O DAL G 4 -14.937 10.182 -11.652 1.00 2.89 O HETATM 0 HB3 DAL G 4 -16.518 7.408 -12.932 1.00 2.37 H new HETATM 0 HB2 DAL G 4 -18.273 7.682 -13.048 1.00 2.37 H new HETATM 0 HB1 DAL G 4 -17.142 8.815 -13.826 1.00 2.37 H new HETATM 0 HA DAL G 4 -18.061 9.655 -12.007 1.00 1.95 H new HETATM 0 H2 DAL G 4 -17.433 8.868 -9.303 1.00 1.63 H new HETATM 949 N DAL G 5 -16.314 10.926 -9.979 1.00 3.12 N HETATM 950 CA DAL G 5 -15.381 11.972 -9.350 1.00 4.20 C HETATM 951 CB DAL G 5 -15.117 12.872 -10.602 1.00 4.89 C HETATM 952 C DAL G 5 -14.127 11.174 -8.754 1.00 4.93 C HETATM 953 O DAL G 5 -14.244 10.177 -7.947 1.00 5.04 O HETATM 954 OXT DAL G 5 -13.021 11.626 -9.130 1.00 5.41 O HETATM 0 HXT DAL G 5 -12.299 11.109 -8.717 1.00 5.41 H new HETATM 0 HB3 DAL G 5 -14.653 12.276 -11.388 1.00 4.89 H new HETATM 0 HB2 DAL G 5 -16.062 13.277 -10.964 1.00 4.89 H new HETATM 0 HB1 DAL G 5 -14.452 13.691 -10.328 1.00 4.89 H new HETATM 0 HA DAL G 5 -15.726 12.577 -8.511 1.00 4.20 H new TER 960 DAL G 5 ATOM 961 N ALA H 1 14.892 10.511 -1.610 1.00 0.96 N ATOM 962 CA ALA H 1 15.878 11.397 -0.965 1.00 1.33 C ATOM 963 C ALA H 1 17.254 10.730 -0.931 1.00 1.47 C ATOM 964 O ALA H 1 17.343 9.495 -1.050 1.00 2.22 O ATOM 965 CB ALA H 1 15.416 11.751 0.439 1.00 1.64 C ATOM 0 H2 ALA H 1 14.042 11.058 -1.855 1.00 0.96 H new ATOM 0 H3 ALA H 1 15.304 10.105 -2.474 1.00 0.96 H new ATOM 0 HA ALA H 1 15.962 12.316 -1.546 1.00 1.33 H new ATOM 0 HB1 ALA H 1 16.150 12.406 0.909 1.00 1.64 H new ATOM 0 HB2 ALA H 1 14.454 12.261 0.388 1.00 1.64 H new ATOM 0 HB3 ALA H 1 15.312 10.840 1.028 1.00 1.64 H new HETATM 971 N DGL H 2 18.353 11.564 -0.965 1.00 1.40 N HETATM 972 CA DGL H 2 19.631 10.849 -0.742 1.00 1.77 C HETATM 973 C DGL H 2 19.713 9.439 -0.096 1.00 2.75 C HETATM 974 O DGL H 2 19.211 9.338 1.088 1.00 3.37 O HETATM 975 CB DGL H 2 20.224 10.480 -2.073 1.00 1.85 C HETATM 976 CG DGL H 2 19.196 10.007 -3.194 1.00 1.57 C HETATM 977 CD DGL H 2 19.677 8.740 -3.932 1.00 1.38 C HETATM 978 OE1 DGL H 2 19.695 8.704 -5.161 1.00 1.94 O HETATM 0 HG3 DGL H 2 18.226 9.812 -2.736 1.00 1.57 H new HETATM 0 HG2 DGL H 2 19.052 10.812 -3.915 1.00 1.57 H new HETATM 0 HB3 DGL H 2 20.774 11.341 -2.454 1.00 1.85 H new HETATM 0 HB2 DGL H 2 20.950 9.682 -1.915 1.00 1.85 H new HETATM 0 HA DGL H 2 20.082 11.578 -0.068 1.00 1.77 H new HETATM 0 H2 DGL H 2 18.354 12.490 -1.394 1.00 1.40 H new ATOM 985 N LYS H 3 20.075 7.718 -3.193 1.00 1.36 N ATOM 986 CA LYS H 3 20.524 6.473 -3.706 1.00 1.66 C ATOM 987 C LYS H 3 21.971 6.478 -4.325 1.00 1.80 C ATOM 988 O LYS H 3 22.272 7.196 -5.310 1.00 2.55 O ATOM 989 CB LYS H 3 19.438 5.799 -4.580 1.00 1.94 C ATOM 990 CG LYS H 3 19.992 4.580 -5.348 1.00 2.15 C ATOM 991 CD LYS H 3 20.149 4.804 -6.883 1.00 2.64 C ATOM 992 CE LYS H 3 20.694 3.534 -7.736 1.00 2.86 C ATOM 993 NZ LYS H 3 22.133 2.939 -7.599 1.00 3.55 N1+ ATOM 0 HA LYS H 3 20.667 5.827 -2.840 1.00 1.66 H new ATOM 0 HB2 LYS H 3 18.608 5.483 -3.948 1.00 1.94 H new ATOM 0 HB3 LYS H 3 19.041 6.525 -5.289 1.00 1.94 H new ATOM 0 HG2 LYS H 3 20.963 4.313 -4.931 1.00 2.15 H new ATOM 0 HG3 LYS H 3 19.330 3.730 -5.183 1.00 2.15 H new ATOM 0 HD2 LYS H 3 19.181 5.100 -7.288 1.00 2.64 H new ATOM 0 HD3 LYS H 3 20.829 5.641 -7.040 1.00 2.64 H new ATOM 0 HE2 LYS H 3 20.005 2.714 -7.533 1.00 2.86 H new ATOM 0 HE3 LYS H 3 20.573 3.799 -8.786 1.00 2.86 H new ATOM 0 HZ1 LYS H 3 22.565 2.855 -8.541 1.00 3.55 H new ATOM 0 HZ2 LYS H 3 22.713 3.567 -7.007 1.00 3.55 H new ATOM 0 HZ3 LYS H 3 22.079 1.999 -7.158 1.00 3.55 H new HETATM 1007 N DAL H 4 22.818 5.704 -3.546 1.00 1.63 N HETATM 1008 CA DAL H 4 24.326 5.291 -3.764 1.00 1.95 C HETATM 1009 CB DAL H 4 25.433 6.506 -4.172 1.00 2.37 C HETATM 1010 C DAL H 4 24.088 3.839 -4.561 1.00 2.54 C HETATM 1011 O DAL H 4 23.825 3.793 -5.767 1.00 2.89 O HETATM 0 HB3 DAL H 4 25.130 6.975 -5.108 1.00 2.37 H new HETATM 0 HB2 DAL H 4 25.457 7.257 -3.382 1.00 2.37 H new HETATM 0 HB1 DAL H 4 26.425 6.070 -4.289 1.00 2.37 H new HETATM 0 HA DAL H 4 24.981 5.127 -2.909 1.00 1.95 H new HETATM 1017 N DAL H 5 24.189 2.708 -3.777 1.00 3.12 N HETATM 1018 CA DAL H 5 24.064 1.251 -4.275 1.00 4.20 C HETATM 1019 CB DAL H 5 25.328 1.130 -5.146 1.00 4.89 C HETATM 1020 C DAL H 5 22.635 1.183 -5.044 1.00 4.93 C HETATM 1021 O DAL H 5 21.670 1.485 -4.374 1.00 5.41 O HETATM 1022 OXT DAL H 5 22.554 0.809 -6.310 1.00 5.04 O HETATM 0 HXT DAL H 5 21.694 0.365 -6.466 1.00 5.04 H new HETATM 0 HB3 DAL H 5 25.290 1.868 -5.947 1.00 4.89 H new HETATM 0 HB2 DAL H 5 26.211 1.306 -4.532 1.00 4.89 H new HETATM 0 HB1 DAL H 5 25.379 0.130 -5.577 1.00 4.89 H new HETATM 0 HA DAL H 5 24.042 0.429 -3.559 1.00 4.20 H new TER 1028 DAL H 5 HETATM 1029 P 2PO A 101 -11.244 -5.557 1.037 1.00 0.92 P HETATM 1030 O1P 2PO A 101 -11.924 -4.818 2.141 1.00 1.05 O1- HETATM 1031 O2P 2PO A 101 -9.827 -5.899 1.237 1.00 1.19 O HETATM 1032 O3P 2PO A 101 -11.354 -4.657 -0.285 1.00 1.06 O HETATM 1033 P 2PO A 102 -10.021 -4.003 -0.877 1.00 0.99 P HETATM 1034 O1P 2PO A 102 -9.654 -2.841 -0.029 1.00 1.29 O1- HETATM 1035 O2P 2PO A 102 -9.026 -5.079 -1.086 1.00 1.40 O HETATM 1036 O3P 2PO A 102 -10.476 -3.472 -2.307 1.00 1.15 O HETATM 1037 C1 P1W A 103 -11.196 -2.257 -2.433 1.00 1.01 C HETATM 1038 C2 P1W A 103 -10.803 -1.565 -3.723 1.00 0.95 C HETATM 1039 C3 P1W A 103 -10.688 -2.153 -4.912 1.00 1.17 C HETATM 1040 C4 P1W A 103 -10.304 -1.333 -6.117 1.00 1.61 C HETATM 1041 C5 P1W A 103 -10.963 -3.637 -5.171 1.00 1.31 C HETATM 1050 C1 P1W A 104 -8.791 -1.152 -6.239 1.00 1.15 C HETATM 1051 C2 P1W A 104 -8.508 -0.097 -7.278 1.00 1.38 C HETATM 1052 C3 P1W A 104 -7.439 0.706 -7.232 1.00 1.66 C HETATM 1053 C4 P1W A 104 -7.174 1.775 -8.262 1.00 1.93 C HETATM 1054 C5 P1W A 104 -6.363 0.589 -6.160 1.00 2.53 C HETATM 1063 C1 P1W A 105 5.925 -8.677 -7.760 1.00 1.15 C HETATM 1064 C2 P1W A 105 5.075 -9.909 -7.956 1.00 1.38 C HETATM 1065 C3 P1W A 105 3.760 -9.883 -8.228 1.00 1.66 C HETATM 1066 C4 P1W A 105 2.938 -11.135 -8.395 1.00 1.93 C HETATM 1067 C5 P1W A 105 2.974 -8.590 -8.419 1.00 2.53 C HETATM 1076 C1 P1W A 106 -7.682 3.142 -7.757 1.00 2.50 C HETATM 1077 C2 P1W A 106 -7.440 4.211 -8.795 1.00 3.14 C HETATM 1078 C3 P1W A 106 -8.151 5.360 -8.904 1.00 3.84 C HETATM 1079 C4 P1W A 106 -7.848 6.418 -9.973 1.00 4.24 C HETATM 1080 C5 P1W A 106 -9.312 5.714 -7.985 1.00 4.81 C HETATM 1090 C1 P1W A 107 2.487 -11.656 -7.022 1.00 2.50 C HETATM 1091 C2 P1W A 107 1.468 -12.754 -7.185 1.00 3.14 C HETATM 1092 C3 P1W A 107 1.743 -14.073 -7.143 1.00 3.84 C HETATM 1093 C4 P1W A 107 0.661 -15.150 -7.307 1.00 4.24 C HETATM 1094 C5 P1W A 107 3.148 -14.625 -6.931 1.00 4.81 C HETATM 1104 P 2PO B 101 9.228 -10.613 -3.279 1.00 0.92 P HETATM 1105 O1P 2PO B 101 7.828 -10.575 -2.851 1.00 1.05 O1- HETATM 1106 O2P 2PO B 101 9.953 -11.903 -3.117 1.00 1.19 O HETATM 1107 O3P 2PO B 101 10.058 -9.475 -2.470 1.00 1.06 O HETATM 1108 P 2PO B 102 9.583 -7.937 -2.310 1.00 0.99 P HETATM 1109 O1P 2PO B 102 8.149 -7.933 -2.036 1.00 1.29 O1- HETATM 1110 O2P 2PO B 102 10.516 -7.246 -1.306 1.00 1.40 O HETATM 1111 O3P 2PO B 102 9.829 -7.308 -3.743 1.00 1.15 O HETATM 1112 C1 P1W B 103 8.737 -6.688 -4.412 1.00 1.01 C HETATM 1113 C2 P1W B 103 8.383 -7.468 -5.656 1.00 0.95 C HETATM 1114 C3 P1W B 103 7.418 -8.380 -5.777 1.00 1.17 C HETATM 1115 C4 P1W B 103 7.229 -9.085 -7.092 1.00 1.61 C HETATM 1116 C5 P1W B 103 6.448 -8.809 -4.665 1.00 1.31 C HETATM 1125 P 2PO E 101 -12.599 7.953 -1.072 1.00 0.92 P HETATM 1126 O1P 2PO E 101 -11.434 7.608 -1.895 1.00 1.05 O1- HETATM 1127 O2P 2PO E 101 -13.023 9.374 -1.052 1.00 1.19 O HETATM 1128 O3P 2PO E 101 -12.335 7.472 0.465 1.00 1.06 O HETATM 1129 P 2PO E 102 -10.855 7.224 1.080 1.00 0.99 P HETATM 1130 O1P 2PO E 102 -9.903 8.122 0.409 1.00 1.29 O1- HETATM 1131 O2P 2PO E 102 -10.946 7.287 2.586 1.00 1.40 O HETATM 1132 O3P 2PO E 102 -10.498 5.725 0.666 1.00 1.15 O HETATM 1133 C1 P1W E 103 -10.063 5.461 -0.671 1.00 1.01 C HETATM 1134 C2 P1W E 103 -11.181 4.766 -1.426 1.00 0.95 C HETATM 1135 C3 P1W E 103 -11.116 4.238 -2.648 1.00 1.17 C HETATM 1136 C4 P1W E 103 -12.342 3.590 -3.217 1.00 1.61 C HETATM 1137 C5 P1W E 103 -9.861 4.200 -3.536 1.00 1.31 C HETATM 1146 P 2PO F 101 11.226 4.105 -1.049 1.00 0.92 P HETATM 1147 O1P 2PO F 101 11.605 2.745 -0.527 1.00 1.05 O1- HETATM 1148 O2P 2PO F 101 11.053 5.199 -0.068 1.00 1.19 O HETATM 1149 O3P 2PO F 101 9.871 3.957 -1.868 1.00 1.06 O HETATM 1150 P 2PO F 102 9.860 3.158 -3.249 1.00 0.99 P HETATM 1151 O1P 2PO F 102 9.778 1.714 -2.920 1.00 1.29 O1- HETATM 1152 O2P 2PO F 102 8.821 3.742 -4.133 1.00 1.40 O HETATM 1153 O3P 2PO F 102 11.312 3.519 -3.853 1.00 1.15 O HETATM 1154 C1 P1W F 103 11.869 2.773 -4.944 1.00 1.01 C HETATM 1155 C2 P1W F 103 10.865 2.718 -6.083 1.00 0.95 C HETATM 1156 C3 P1W F 103 11.040 2.029 -7.231 1.00 1.17 C HETATM 1157 C4 P1W F 103 9.978 1.997 -8.322 1.00 1.61 C HETATM 1158 C5 P1W F 103 12.326 1.277 -7.586 1.00 1.31 C HETATM 1167 C1 P1W F 104 -12.771 4.264 -4.502 1.00 1.15 C HETATM 1168 C2 P1W F 104 -13.470 3.259 -5.378 1.00 1.38 C HETATM 1169 C3 P1W F 104 -12.975 2.815 -6.543 1.00 1.66 C HETATM 1170 C4 P1W F 104 -13.714 1.826 -7.412 1.00 1.93 C HETATM 1171 C5 P1W F 104 -11.620 3.242 -7.090 1.00 2.53 C HETATM 1180 C1 P1W F 105 8.727 1.212 -7.864 1.00 1.15 C HETATM 1181 C2 P1W F 105 7.646 1.267 -8.921 1.00 1.38 C HETATM 1182 C3 P1W F 105 6.715 0.313 -9.092 1.00 1.66 C HETATM 1183 C4 P1W F 105 5.655 0.403 -10.162 1.00 1.93 C HETATM 1184 C5 P1W F 105 6.626 -0.951 -8.237 1.00 2.53 C HETATM 1193 C1 P1W F 106 -12.868 0.562 -7.601 1.00 2.50 C HETATM 1194 C2 P1W F 106 -13.506 -0.345 -8.617 1.00 3.14 C HETATM 1195 C3 P1W F 106 -14.073 -1.537 -8.338 1.00 3.84 C HETATM 1196 C4 P1W F 106 -14.711 -2.424 -9.415 1.00 4.24 C HETATM 1197 C5 P1W F 106 -14.135 -2.114 -6.929 1.00 4.81 C HETATM 1207 C1 P1W F 107 6.284 0.171 -11.547 1.00 2.50 C HETATM 1208 C2 P1W F 107 5.232 -0.233 -12.552 1.00 3.14 C HETATM 1209 C3 P1W F 107 4.962 0.430 -13.696 1.00 3.84 C HETATM 1210 C4 P1W F 107 3.893 -0.038 -14.695 1.00 4.24 C HETATM 1211 C5 P1W F 107 5.679 1.710 -14.107 1.00 4.81 C HETATM 1221 C1 MUB C 101 -12.348 -7.974 1.503 1.00 0.78 C HETATM 1222 C2 MUB C 101 -11.042 -8.602 1.925 1.00 0.77 C HETATM 1223 C3 MUB C 101 -11.274 -10.120 2.146 1.00 0.81 C HETATM 1224 C4 MUB C 101 -12.685 -10.449 2.662 1.00 0.87 C HETATM 1225 C5 MUB C 101 -13.750 -9.937 1.679 1.00 1.10 C HETATM 1226 C6 MUB C 101 -14.942 -9.330 2.414 1.00 1.28 C HETATM 1227 C7 MUB C 101 -9.871 -9.216 -0.084 1.00 1.81 C HETATM 1228 C8 MUB C 101 -8.787 -8.996 -1.078 1.00 2.83 C HETATM 1229 C9 MUB C 101 -10.172 -9.976 4.277 1.00 0.89 C HETATM 1230 C10 MUB C 101 -11.037 -10.443 5.466 1.00 1.09 C HETATM 1231 C11 MUB C 101 -9.053 -8.888 4.452 1.00 1.18 C HETATM 1232 O1 MUB C 101 -12.085 -6.898 0.611 1.00 0.93 O HETATM 1233 O3 MUB C 101 -10.269 -10.681 3.017 1.00 0.86 O HETATM 1234 O4 MUB C 101 -12.817 -11.882 2.867 1.00 1.10 O HETATM 1235 O5 MUB C 101 -13.197 -8.913 0.802 1.00 1.05 O HETATM 1236 O6 MUB C 101 -14.654 -9.178 3.803 1.00 1.13 O HETATM 1237 O7 MUB C 101 -10.657 -10.146 -0.241 1.00 2.24 O HETATM 1238 O10 MUB C 101 -10.724 -10.099 6.601 1.00 1.68 O HETATM 1239 N2 MUB C 101 -9.982 -8.397 0.947 1.00 1.07 N HETATM 0 H113 MUB C 101 -9.500 -7.961 4.812 1.00 1.18 H new HETATM 0 H112 MUB C 101 -8.314 -9.239 5.173 1.00 1.18 H new HETATM 0 H111 MUB C 101 -8.567 -8.708 3.493 1.00 1.18 H new HETATM 0 HO6 MUB C 101 -15.474 -8.938 4.283 1.00 1.13 H new HETATM 0 HN2 MUB C 101 -9.327 -7.623 1.058 1.00 1.07 H new HETATM 0 H83 MUB C 101 -8.150 -9.880 -1.124 1.00 2.83 H new HETATM 0 H82 MUB C 101 -9.225 -8.813 -2.059 1.00 2.83 H new HETATM 0 H81 MUB C 101 -8.190 -8.134 -0.781 1.00 2.83 H new HETATM 0 H62 MUB C 101 -15.188 -8.361 1.980 1.00 1.28 H new HETATM 0 H61 MUB C 101 -15.817 -9.967 2.287 1.00 1.28 H new HETATM 0 H5 MUB C 101 -14.077 -10.798 1.096 1.00 1.10 H new HETATM 0 H4A MUB C 101 -12.838 -9.946 3.617 1.00 0.87 H new HETATM 0 H3 MUB C 101 -11.186 -10.584 1.163 1.00 0.81 H new HETATM 0 H2 MUB C 101 -10.715 -8.121 2.847 1.00 0.77 H new HETATM 0 H1 MUB C 101 -12.853 -7.638 2.409 1.00 0.78 H new HETATM 1256 C1 NAG C 102 -12.359 -12.670 1.776 1.00 0.84 C HETATM 1257 C2 NAG C 102 -12.570 -14.145 2.106 1.00 0.94 C HETATM 1258 C3 NAG C 102 -12.046 -14.980 0.945 1.00 1.41 C HETATM 1259 C4 NAG C 102 -12.669 -14.518 -0.376 1.00 2.01 C HETATM 1260 C5 NAG C 102 -12.520 -13.002 -0.557 1.00 2.01 C HETATM 1261 C6 NAG C 102 -13.251 -12.496 -1.794 1.00 2.85 C HETATM 1262 C7 NAG C 102 -10.584 -14.255 3.524 1.00 1.57 C HETATM 1263 C8 NAG C 102 -9.965 -14.629 4.848 1.00 2.06 C HETATM 1264 N2 NAG C 102 -11.899 -14.487 3.322 1.00 1.16 N HETATM 1265 O3 NAG C 102 -12.373 -16.340 1.198 1.00 1.60 O HETATM 1266 O4 NAG C 102 -12.025 -15.168 -1.458 1.00 2.71 O HETATM 1267 O5 NAG C 102 -13.053 -12.324 0.583 1.00 1.51 O HETATM 1268 O6 NAG C 102 -13.242 -11.078 -1.863 1.00 3.23 O HETATM 1269 O7 NAG C 102 -9.851 -13.857 2.612 1.00 2.31 O HETATM 0 HO6 NAG C 102 -12.465 -10.732 -1.377 1.00 3.23 H new HETATM 0 HO4 NAG C 102 -11.750 -16.067 -1.182 1.00 2.71 H new HETATM 0 HO3 NAG C 102 -12.338 -16.846 0.360 1.00 1.60 H new HETATM 0 HN2 NAG C 102 -12.437 -14.925 4.069 1.00 1.16 H new HETATM 0 H83 NAG C 102 -10.463 -14.083 5.649 1.00 2.06 H new HETATM 0 H82 NAG C 102 -10.079 -15.700 5.013 1.00 2.06 H new HETATM 0 H81 NAG C 102 -8.905 -14.374 4.839 1.00 2.06 H new HETATM 0 H62 NAG C 102 -12.782 -12.907 -2.688 1.00 2.85 H new HETATM 0 H61 NAG C 102 -14.281 -12.854 -1.781 1.00 2.85 H new HETATM 0 H5 NAG C 102 -11.456 -12.798 -0.673 1.00 2.01 H new HETATM 0 H4 NAG C 102 -13.729 -14.770 -0.355 1.00 2.01 H new HETATM 0 H3 NAG C 102 -10.966 -14.862 0.859 1.00 1.41 H new HETATM 0 H2 NAG C 102 -13.632 -14.345 2.249 1.00 0.94 H new HETATM 1284 C1 MUB D 101 9.994 -10.933 -5.765 1.00 0.78 C HETATM 1285 C2 MUB D 101 11.434 -10.462 -5.880 1.00 0.77 C HETATM 1286 C3 MUB D 101 11.913 -10.767 -7.316 1.00 0.81 C HETATM 1287 C4 MUB D 101 11.305 -12.053 -7.883 1.00 0.87 C HETATM 1288 C5 MUB D 101 9.767 -11.952 -7.900 1.00 1.10 C HETATM 1289 C6 MUB D 101 9.144 -13.254 -7.396 1.00 1.28 C HETATM 1290 C7 MUB D 101 11.667 -8.170 -6.564 1.00 1.81 C HETATM 1291 C8 MUB D 101 11.899 -6.736 -6.254 1.00 2.83 C HETATM 1292 C9 MUB D 101 13.963 -11.657 -6.418 1.00 0.89 C HETATM 1293 C10 MUB D 101 14.331 -13.108 -6.788 1.00 1.09 C HETATM 1294 C11 MUB D 101 14.417 -11.023 -5.056 1.00 1.18 C HETATM 1295 O1 MUB D 101 9.282 -10.158 -4.830 1.00 0.93 O HETATM 1296 O3 MUB D 101 13.354 -10.807 -7.414 1.00 0.86 O HETATM 1297 O4 MUB D 101 11.833 -12.285 -9.212 1.00 1.10 O HETATM 1298 O5 MUB D 101 9.313 -10.891 -7.027 1.00 1.05 O HETATM 1299 O6 MUB D 101 9.704 -13.625 -6.138 1.00 1.13 O HETATM 1300 O7 MUB D 101 11.273 -8.471 -7.687 1.00 2.24 O HETATM 1301 O10 MUB D 101 15.321 -13.628 -6.283 1.00 1.68 O HETATM 1302 N2 MUB D 101 11.630 -9.049 -5.574 1.00 1.07 N HETATM 0 H113 MUB D 101 14.007 -11.604 -4.230 1.00 1.18 H new HETATM 0 H112 MUB D 101 15.505 -11.028 -4.997 1.00 1.18 H new HETATM 0 H111 MUB D 101 14.055 -9.997 -4.994 1.00 1.18 H new HETATM 0 HO6 MUB D 101 9.292 -14.459 -5.830 1.00 1.13 H new HETATM 0 HN2 MUB D 101 11.737 -8.741 -4.607 1.00 1.07 H new HETATM 0 H9 MUB D 101 13.094 -12.079 -5.912 1.00 0.89 H new HETATM 0 H83 MUB D 101 12.654 -6.335 -6.930 1.00 2.83 H new HETATM 0 H82 MUB D 101 10.969 -6.182 -6.380 1.00 2.83 H new HETATM 0 H81 MUB D 101 12.244 -6.637 -5.225 1.00 2.83 H new HETATM 0 H62 MUB D 101 8.065 -13.133 -7.298 1.00 1.28 H new HETATM 0 H61 MUB D 101 9.311 -14.049 -8.123 1.00 1.28 H new HETATM 0 H5 MUB D 101 9.466 -11.752 -8.928 1.00 1.10 H new HETATM 0 H4A MUB D 101 11.573 -12.899 -7.250 1.00 0.87 H new HETATM 0 H3 MUB D 101 11.554 -9.937 -7.925 1.00 0.81 H new HETATM 0 H2 MUB D 101 12.018 -10.997 -5.132 1.00 0.77 H new HETATM 0 H1 MUB D 101 10.032 -11.968 -5.426 1.00 0.78 H new HETATM 1319 C1 NAG D 102 12.058 -11.073 -9.951 1.00 0.84 C HETATM 1320 C2 NAG D 102 12.530 -11.432 -11.365 1.00 0.94 C HETATM 1321 C3 NAG D 102 12.768 -10.128 -12.131 1.00 1.41 C HETATM 1322 C4 NAG D 102 11.539 -9.221 -12.053 1.00 2.01 C HETATM 1323 C5 NAG D 102 11.101 -9.007 -10.597 1.00 2.01 C HETATM 1324 C6 NAG D 102 9.817 -8.195 -10.495 1.00 2.85 C HETATM 1325 C7 NAG D 102 14.834 -11.839 -10.674 1.00 1.57 C HETATM 1326 C8 NAG D 102 16.030 -12.753 -10.659 1.00 2.06 C HETATM 1327 N2 NAG D 102 13.712 -12.218 -11.325 1.00 1.16 N HETATM 1328 O3 NAG D 102 13.052 -10.457 -13.485 1.00 1.60 O HETATM 1329 O4 NAG D 102 11.845 -7.961 -12.626 1.00 2.71 O HETATM 1330 O5 NAG D 102 10.871 -10.280 -9.972 1.00 1.51 O HETATM 1331 O6 NAG D 102 9.211 -8.327 -9.220 1.00 3.23 O HETATM 1332 O7 NAG D 102 14.950 -10.693 -10.220 1.00 2.31 O HETATM 0 HO6 NAG D 102 9.836 -8.765 -8.605 1.00 3.23 H new HETATM 0 HO4 NAG D 102 11.014 -7.503 -12.871 1.00 2.71 H new HETATM 0 HO3 NAG D 102 13.206 -9.635 -13.996 1.00 1.60 H new HETATM 0 HN2 NAG D 102 13.714 -13.114 -11.812 1.00 1.16 H new HETATM 0 H83 NAG D 102 15.758 -13.700 -10.193 1.00 2.06 H new HETATM 0 H82 NAG D 102 16.363 -12.934 -11.681 1.00 2.06 H new HETATM 0 H81 NAG D 102 16.836 -12.288 -10.092 1.00 2.06 H new HETATM 0 H62 NAG D 102 10.035 -7.144 -10.687 1.00 2.85 H new HETATM 0 H61 NAG D 102 9.118 -8.521 -11.265 1.00 2.85 H new HETATM 0 H5 NAG D 102 11.901 -8.459 -10.100 1.00 2.01 H new HETATM 0 H4 NAG D 102 10.727 -9.702 -12.598 1.00 2.01 H new HETATM 0 H3 NAG D 102 13.605 -9.588 -11.689 1.00 1.41 H new HETATM 0 H2 NAG D 102 11.769 -12.028 -11.869 1.00 0.94 H new HETATM 1347 C1 MUB G 101 -14.945 7.632 -2.225 1.00 0.78 C HETATM 1348 C2 MUB G 101 -16.161 7.673 -1.310 1.00 0.77 C HETATM 1349 C3 MUB G 101 -17.409 7.387 -2.175 1.00 0.81 C HETATM 1350 C4 MUB G 101 -17.365 8.105 -3.531 1.00 0.87 C HETATM 1351 C5 MUB G 101 -16.106 7.667 -4.301 1.00 1.10 C HETATM 1352 C6 MUB G 101 -15.333 8.889 -4.797 1.00 1.28 C HETATM 1353 C7 MUB G 101 -16.630 5.535 -0.317 1.00 1.81 C HETATM 1354 C8 MUB G 101 -16.591 4.602 0.839 1.00 2.83 C HETATM 1355 C9 MUB G 101 -18.692 9.040 -0.989 1.00 0.89 C HETATM 1356 C10 MUB G 101 -19.571 10.074 -1.731 1.00 1.09 C HETATM 1357 C11 MUB G 101 -18.028 9.385 0.389 1.00 1.18 C HETATM 1358 O1 MUB G 101 -13.841 7.032 -1.580 1.00 0.93 O HETATM 1359 O3 MUB G 101 -18.639 7.683 -1.476 1.00 0.86 O HETATM 1360 O4 MUB G 101 -18.572 7.810 -4.279 1.00 1.10 O HETATM 1361 O5 MUB G 101 -15.214 6.914 -3.441 1.00 1.05 O HETATM 1362 O6 MUB G 101 -15.176 9.842 -3.751 1.00 1.13 O HETATM 1363 O7 MUB G 101 -16.914 5.092 -1.426 1.00 2.24 O HETATM 1364 O10 MUB G 101 -20.293 10.830 -1.087 1.00 1.68 O HETATM 1365 N2 MUB G 101 -16.098 6.743 -0.189 1.00 1.07 N HETATM 0 H113 MUB G 101 -17.364 10.241 0.269 1.00 1.18 H new HETATM 0 H112 MUB G 101 -18.803 9.626 1.116 1.00 1.18 H new HETATM 0 H111 MUB G 101 -17.454 8.528 0.741 1.00 1.18 H new HETATM 0 HO6 MUB G 101 -14.678 10.616 -4.086 1.00 1.13 H new HETATM 0 HN2 MUB G 101 -15.649 7.019 0.685 1.00 1.07 H new HETATM 0 H9 MUB G 101 -17.818 9.461 -1.486 1.00 0.89 H new HETATM 0 H83 MUB G 101 -17.571 4.143 0.969 1.00 2.83 H new HETATM 0 H82 MUB G 101 -15.848 3.826 0.655 1.00 2.83 H new HETATM 0 H81 MUB G 101 -16.325 5.152 1.742 1.00 2.83 H new HETATM 0 H62 MUB G 101 -14.354 8.582 -5.166 1.00 1.28 H new HETATM 0 H61 MUB G 101 -15.861 9.344 -5.635 1.00 1.28 H new HETATM 0 H5 MUB G 101 -16.436 7.052 -5.138 1.00 1.10 H new HETATM 0 H4A MUB G 101 -17.316 9.184 -3.381 1.00 0.87 H new HETATM 0 H3 MUB G 101 -17.391 6.316 -2.375 1.00 0.81 H new HETATM 0 H2 MUB G 101 -16.201 8.662 -0.854 1.00 0.77 H new HETATM 0 H1 MUB G 101 -14.709 8.668 -2.470 1.00 0.78 H new HETATM 1382 C1 NAG G 102 -19.054 6.469 -4.063 1.00 0.84 C HETATM 1383 C2 NAG G 102 -20.303 6.237 -4.922 1.00 0.94 C HETATM 1384 C3 NAG G 102 -20.798 4.810 -4.664 1.00 1.41 C HETATM 1385 C4 NAG G 102 -19.662 3.801 -4.852 1.00 2.01 C HETATM 1386 C5 NAG G 102 -18.438 4.188 -4.019 1.00 2.01 C HETATM 1387 C6 NAG G 102 -17.253 3.258 -4.260 1.00 2.85 C HETATM 1388 C7 NAG G 102 -21.825 7.361 -3.379 1.00 1.57 C HETATM 1389 C8 NAG G 102 -22.880 8.412 -3.154 1.00 2.06 C HETATM 1390 N2 NAG G 102 -21.319 7.185 -4.621 1.00 1.16 N HETATM 1391 O3 NAG G 102 -21.857 4.535 -5.573 1.00 1.60 O HETATM 1392 O4 NAG G 102 -20.103 2.516 -4.447 1.00 2.71 O HETATM 1393 O5 NAG G 102 -18.027 5.523 -4.351 1.00 1.51 O HETATM 1394 O6 NAG G 102 -16.109 3.663 -3.525 1.00 3.23 O HETATM 1395 O7 NAG G 102 -21.550 6.579 -2.461 1.00 2.31 O HETATM 0 HO6 NAG G 102 -16.389 4.192 -2.749 1.00 3.23 H new HETATM 0 HO4 NAG G 102 -19.529 1.831 -4.849 1.00 2.71 H new HETATM 0 HO3 NAG G 102 -22.187 3.624 -5.425 1.00 1.60 H new HETATM 0 HN2 NAG G 102 -21.684 7.761 -5.379 1.00 1.16 H new HETATM 0 H83 NAG G 102 -22.482 9.390 -3.424 1.00 2.06 H new HETATM 0 H82 NAG G 102 -23.751 8.191 -3.771 1.00 2.06 H new HETATM 0 H81 NAG G 102 -23.171 8.416 -2.104 1.00 2.06 H new HETATM 0 H62 NAG G 102 -17.525 2.241 -3.978 1.00 2.85 H new HETATM 0 H61 NAG G 102 -17.015 3.241 -5.323 1.00 2.85 H new HETATM 0 H5 NAG G 102 -18.733 4.113 -2.972 1.00 2.01 H new HETATM 0 H4 NAG G 102 -19.382 3.795 -5.905 1.00 2.01 H new HETATM 0 H3 NAG G 102 -21.152 4.723 -3.637 1.00 1.41 H new HETATM 0 H2 NAG G 102 -20.053 6.364 -5.975 1.00 0.94 H new HETATM 1410 C1 MUB H 101 13.147 5.643 -2.039 1.00 0.78 C HETATM 1411 C2 MUB H 101 12.457 6.892 -2.550 1.00 0.77 C HETATM 1412 C3 MUB H 101 13.502 7.733 -3.298 1.00 0.81 C HETATM 1413 C4 MUB H 101 14.837 7.766 -2.555 1.00 0.87 C HETATM 1414 C5 MUB H 101 15.404 6.342 -2.462 1.00 1.10 C HETATM 1415 C6 MUB H 101 15.912 6.069 -1.049 1.00 1.28 C HETATM 1416 C7 MUB H 101 11.497 6.493 -4.719 1.00 1.81 C HETATM 1417 C8 MUB H 101 10.323 6.215 -5.585 1.00 2.83 C HETATM 1418 C9 MUB H 101 12.628 9.770 -2.360 1.00 0.89 C HETATM 1419 C10 MUB H 101 13.579 10.825 -1.749 1.00 1.09 C HETATM 1420 C11 MUB H 101 11.164 9.607 -1.824 1.00 1.18 C HETATM 1421 O1 MUB H 101 12.286 4.537 -2.203 1.00 0.93 O HETATM 1422 O3 MUB H 101 13.024 9.071 -3.561 1.00 0.86 O HETATM 1423 O4 MUB H 101 15.751 8.662 -3.227 1.00 1.10 O HETATM 1424 O5 MUB H 101 14.368 5.366 -2.759 1.00 1.05 O HETATM 1425 O6 MUB H 101 14.873 6.273 -0.095 1.00 1.13 O HETATM 1426 O7 MUB H 101 12.622 6.501 -5.215 1.00 2.24 O HETATM 1427 O10 MUB H 101 13.137 11.922 -1.421 1.00 1.68 O HETATM 1428 N2 MUB H 101 11.319 6.605 -3.413 1.00 1.07 N HETATM 0 H113 MUB H 101 11.191 9.346 -0.766 1.00 1.18 H new HETATM 0 H112 MUB H 101 10.623 10.545 -1.952 1.00 1.18 H new HETATM 0 H111 MUB H 101 10.659 8.817 -2.380 1.00 1.18 H new HETATM 0 HO6 MUB H 101 15.215 6.092 0.805 1.00 1.13 H new HETATM 0 HN2 MUB H 101 10.388 6.491 -3.012 1.00 1.07 H new HETATM 0 H9 MUB H 101 12.975 9.038 -1.631 1.00 0.89 H new HETATM 0 H83 MUB H 101 10.266 6.967 -6.372 1.00 2.83 H new HETATM 0 H82 MUB H 101 10.427 5.227 -6.033 1.00 2.83 H new HETATM 0 H81 MUB H 101 9.413 6.247 -4.986 1.00 2.83 H new HETATM 0 H62 MUB H 101 16.280 5.045 -0.980 1.00 1.28 H new HETATM 0 H61 MUB H 101 16.753 6.726 -0.826 1.00 1.28 H new HETATM 0 H5 MUB H 101 16.219 6.258 -3.181 1.00 1.10 H new HETATM 0 H4A MUB H 101 14.691 8.141 -1.542 1.00 0.87 H new HETATM 0 H3 MUB H 101 13.669 7.247 -4.259 1.00 0.81 H new HETATM 0 H2 MUB H 101 12.050 7.436 -1.698 1.00 0.77 H new HETATM 0 H1 MUB H 101 13.390 5.810 -0.990 1.00 0.78 H new HETATM 1445 C1 NAG H 102 15.821 8.474 -4.638 1.00 0.84 C HETATM 1446 C2 NAG H 102 16.899 9.394 -5.207 1.00 0.94 C HETATM 1447 C3 NAG H 102 16.991 9.198 -6.714 1.00 1.41 C HETATM 1448 C4 NAG H 102 17.170 7.713 -7.053 1.00 2.01 C HETATM 1449 C5 NAG H 102 16.107 6.865 -6.350 1.00 2.01 C HETATM 1450 C6 NAG H 102 16.301 5.373 -6.575 1.00 2.85 C HETATM 1451 C7 NAG H 102 15.434 11.357 -5.101 1.00 1.57 C HETATM 1452 C8 NAG H 102 15.250 12.810 -4.712 1.00 2.06 C HETATM 1453 N2 NAG H 102 16.632 10.774 -4.885 1.00 1.16 N HETATM 1454 O3 NAG H 102 18.099 9.947 -7.199 1.00 1.60 O HETATM 1455 O4 NAG H 102 17.048 7.533 -8.454 1.00 2.71 O HETATM 1456 O5 NAG H 102 16.140 7.115 -4.941 1.00 1.51 O HETATM 1457 O6 NAG H 102 15.432 4.602 -5.758 1.00 3.23 O HETATM 1458 O7 NAG H 102 14.528 10.785 -5.712 1.00 2.31 O HETATM 0 HO6 NAG H 102 15.180 5.122 -4.967 1.00 3.23 H new HETATM 0 HO4 NAG H 102 17.466 6.685 -8.713 1.00 2.71 H new HETATM 0 HO3 NAG H 102 18.894 9.738 -6.665 1.00 1.60 H new HETATM 0 HN2 NAG H 102 17.381 11.334 -4.476 1.00 1.16 H new HETATM 0 H83 NAG H 102 15.423 12.925 -3.642 1.00 2.06 H new HETATM 0 H82 NAG H 102 15.960 13.427 -5.263 1.00 2.06 H new HETATM 0 H81 NAG H 102 14.234 13.125 -4.951 1.00 2.06 H new HETATM 0 H62 NAG H 102 16.120 5.136 -7.624 1.00 2.85 H new HETATM 0 H61 NAG H 102 17.335 5.104 -6.361 1.00 2.85 H new HETATM 0 H5 NAG H 102 15.147 7.152 -6.779 1.00 2.01 H new HETATM 0 H4 NAG H 102 18.157 7.397 -6.714 1.00 2.01 H new HETATM 0 H3 NAG H 102 16.071 9.543 -7.185 1.00 1.41 H new HETATM 0 H2 NAG H 102 17.855 9.134 -4.753 1.00 0.94 H new