USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=35 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: 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: 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 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 2 DGL H : 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 HXT : G 5 DAL OXT : G 5 DAL C :(short bond) 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 Set 1.1: H 3 LYS NZ :NH3+ -135:sc= -0.0143 (180deg=-1.2!) USER MOD Set 1.2: H 5 DAL OXT : rot 140:sc= 0.123 USER MOD Set 2.1: H 1 ALA N :NH3+ -127:sc= -4.28! (180deg=-6.94!) USER MOD Set 2.2: H 101 MUB O6 : rot -141:sc= -5.03! USER MOD Set 3.1: G 3 LYS NZ :NH3+ 126:sc= 1.59 (180deg=-0.368) USER MOD Set 3.2: G 102 NAG O3 : rot -35:sc= 2.06 USER MOD Set 3.3: G 102 NAG O4 : rot 150:sc= -0.0146 USER MOD Set 4.1: G 1 ALA N :NH3+ -116:sc= -3.29! (180deg=-6.15!) USER MOD Set 4.2: G 101 MUB O6 : rot -118:sc= -4.8! USER MOD Set 5.1: D 1 ALA N :NH3+ -128:sc= -6.09! (180deg=-8.6!) USER MOD Set 5.2: D 101 MUB O6 : rot -170:sc= -4.25! USER MOD Set 6.1: D 3 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.302) USER MOD Set 6.2: D 5 DAL OXT : rot -130:sc= 0.993 USER MOD Set 7.1: C 3 LYS NZ :NH3+ -168:sc= -0.321! (180deg=-0.28!) USER MOD Set 7.2: C 5 DAL OXT : rot -67:sc= 0.734 USER MOD Set 8.1: C 1 ALA N :NH3+ -122:sc= -5.38! (180deg=-8.56!) USER MOD Set 8.2: C 101 MUB O6 : rot -167:sc= -3.17! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -34:sc= 0.814 USER MOD Single : B 3 SER OG : rot 169:sc= 0.974 USER MOD Single : B 7 SER OG : rot 180:sc= -0.567 USER MOD Single : C 102 NAG O3 : rot 110:sc= -1.01 USER MOD Single : C 102 NAG O4 : rot 150:sc= -0.0218 USER MOD Single : C 102 NAG O6 : rot 26:sc= 0.2 USER MOD Single : D 102 NAG O3 : rot 180:sc= -0.261 USER MOD Single : D 102 NAG O4 : rot 160:sc= 0 USER MOD Single : D 102 NAG O6 : rot 44:sc= 1 USER MOD Single : E 3 SER OG : rot 170:sc= 1.04 USER MOD Single : E 7 SER OG : rot -46:sc= -0.684! USER MOD Single : F 3 SER OG : rot 180:sc= 0 USER MOD Single : F 7 SER OG : rot -70:sc= -0.548 USER MOD Single : G 102 NAG O6 : rot 28:sc= 0.763 USER MOD Single : H 102 NAG O3 : rot 180:sc= 0 USER MOD Single : H 102 NAG O4 : rot 160:sc= 0 USER MOD Single : H 102 NAG O6 : rot 36:sc= 0.0737 USER MOD ----------------------------------------------------------------- HETATM 1 N ZAE A 1 9.019 -14.618 0.927 1.00 0.00 N HETATM 2 CA ZAE A 1 8.475 -14.310 -0.443 1.00 0.00 C HETATM 3 C ZAE A 1 7.740 -12.970 -0.467 1.00 0.00 C HETATM 4 O ZAE A 1 8.362 -11.918 -0.572 1.00 0.00 O HETATM 5 CB ZAE A 1 9.609 -14.288 -1.480 1.00 0.00 C HETATM 6 CG ZAE A 1 9.170 -14.701 -2.864 1.00 0.00 C HETATM 7 CD1 ZAE A 1 9.415 -15.989 -3.331 1.00 0.00 C HETATM 8 CD2 ZAE A 1 8.568 -13.783 -3.728 1.00 0.00 C HETATM 9 CE1 ZAE A 1 9.004 -16.368 -4.601 1.00 0.00 C HETATM 10 CE2 ZAE A 1 8.157 -14.164 -4.994 1.00 0.00 C HETATM 11 CZ ZAE A 1 8.410 -15.444 -5.443 1.00 0.00 C HETATM 12 C10 ZAE A 1 10.176 -13.760 1.244 1.00 0.00 C HETATM 0 HZ ZAE A 1 8.142 -15.727 -6.461 1.00 0.00 H new HETATM 0 HE2 ZAE A 1 7.634 -13.454 -5.635 1.00 0.00 H new HETATM 0 HE1 ZAE A 1 9.149 -17.395 -4.936 1.00 0.00 H new HETATM 0 HD2 ZAE A 1 8.420 -12.754 -3.401 1.00 0.00 H new HETATM 0 HD1 ZAE A 1 9.934 -16.706 -2.694 1.00 0.00 H new HETATM 0 HB3 ZAE A 1 10.029 -13.283 -1.526 1.00 0.00 H new HETATM 0 HB2 ZAE A 1 10.407 -14.952 -1.148 1.00 0.00 H new HETATM 0 HA ZAE A 1 7.765 -15.098 -0.695 1.00 0.00 H new HETATM 0 H13 ZAE A 1 10.965 -13.927 0.510 1.00 0.00 H new HETATM 0 H12 ZAE A 1 9.871 -12.714 1.217 1.00 0.00 H new HETATM 0 H11 ZAE A 1 10.548 -14.004 2.239 1.00 0.00 H new HETATM 0 H ZAE A 1 8.637 -15.327 1.553 1.00 0.00 H new ATOM 26 N ILE A 2 6.420 -13.008 -0.364 1.00 0.00 N ATOM 27 CA ILE A 2 5.635 -11.787 -0.384 1.00 0.00 C ATOM 28 C ILE A 2 4.791 -11.717 0.887 1.00 0.00 C ATOM 29 O ILE A 2 4.483 -12.749 1.491 1.00 0.00 O ATOM 30 CB ILE A 2 4.735 -11.705 -1.659 1.00 0.00 C ATOM 31 CG1 ILE A 2 3.349 -12.312 -1.403 1.00 0.00 C ATOM 32 CG2 ILE A 2 5.409 -12.376 -2.854 1.00 0.00 C ATOM 33 CD1 ILE A 2 2.210 -11.619 -2.118 1.00 0.00 C ATOM 0 H ILE A 2 5.875 -13.865 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 2 6.311 -10.933 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 2 4.599 -10.650 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.365 -13.359 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.152 -12.292 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.759 -12.303 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.356 -11.879 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.593 -13.426 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.271 -12.118 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.160 -10.578 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.377 -11.661 -3.194 1.00 0.00 H new ATOM 45 N SER A 3 4.494 -10.498 1.327 1.00 0.00 N ATOM 46 CA SER A 3 3.648 -10.283 2.498 1.00 0.00 C ATOM 47 C SER A 3 2.850 -8.994 2.364 1.00 0.00 C ATOM 48 O SER A 3 3.350 -7.962 1.891 1.00 0.00 O ATOM 49 CB SER A 3 4.439 -10.278 3.812 1.00 0.00 C ATOM 50 OG SER A 3 5.173 -11.463 4.018 1.00 0.00 O ATOM 0 H SER A 3 4.828 -9.640 0.888 1.00 0.00 H new ATOM 0 HA SER A 3 2.962 -11.129 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.122 -9.429 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.750 -10.135 4.644 1.00 0.00 H new ATOM 0 HG SER A 3 5.658 -11.404 4.868 1.00 0.00 H new HETATM 56 N DAR A 4 1.616 -9.055 2.821 1.00 0.00 N HETATM 57 CA DAR A 4 0.719 -7.925 2.744 1.00 0.00 C HETATM 58 CB DAR A 4 0.330 -7.488 4.139 1.00 0.00 C HETATM 59 CG DAR A 4 1.508 -7.395 5.079 1.00 0.00 C HETATM 60 CD DAR A 4 2.156 -6.030 4.987 1.00 0.00 C HETATM 61 NE DAR A 4 2.720 -5.779 3.671 1.00 0.00 N HETATM 62 CZ DAR A 4 3.136 -4.584 3.264 1.00 0.00 C HETATM 63 NH1 DAR A 4 3.624 -4.435 2.042 1.00 0.00 N HETATM 64 NH2 DAR A 4 3.055 -3.535 4.074 1.00 0.00 N HETATM 65 C DAR A 4 -0.540 -8.263 1.981 1.00 0.00 C HETATM 66 O DAR A 4 -1.295 -9.150 2.386 1.00 0.00 O HETATM 0 HH22 DAR A 4 3.376 -2.620 3.757 1.00 0.00 H new HETATM 0 HH21 DAR A 4 2.672 -3.644 5.013 1.00 0.00 H new HETATM 0 HH12 DAR A 4 3.943 -3.518 1.729 1.00 0.00 H new HETATM 0 HH11 DAR A 4 3.680 -5.237 1.414 1.00 0.00 H new HETATM 0 HG3 DAR A 4 1.180 -7.579 6.102 1.00 0.00 H new HETATM 0 HG2 DAR A 4 2.237 -8.167 4.834 1.00 0.00 H new HETATM 0 HE DAR A 4 2.801 -6.563 3.024 1.00 0.00 H new HETATM 0 HD3 DAR A 4 1.417 -5.262 5.216 1.00 0.00 H new HETATM 0 HD2 DAR A 4 2.942 -5.951 5.739 1.00 0.00 H new HETATM 0 HB3 DAR A 4 -0.162 -6.517 4.085 1.00 0.00 H new HETATM 0 HB2 DAR A 4 -0.397 -8.192 4.545 1.00 0.00 H new HETATM 0 HA DAR A 4 1.243 -7.126 2.220 1.00 0.00 H new HETATM 80 N 28J A 5 -0.770 -7.551 0.886 1.00 0.00 N HETATM 81 CA 28J A 5 -1.965 -7.760 0.095 1.00 0.00 C HETATM 82 CB 28J A 5 -1.691 -8.542 -1.222 1.00 0.00 C HETATM 83 CG2 28J A 5 -1.105 -9.904 -0.897 1.00 0.00 C HETATM 84 CG1 28J A 5 -2.982 -8.729 -2.039 1.00 0.00 C HETATM 85 CD1 28J A 5 -2.734 -9.072 -3.497 1.00 0.00 C HETATM 86 C 28J A 5 -2.633 -6.426 -0.201 1.00 0.00 C HETATM 87 O 28J A 5 -1.998 -5.362 -0.172 1.00 0.00 O ATOM 98 N ILE A 6 -3.934 -6.515 -0.409 1.00 0.00 N ATOM 99 CA ILE A 6 -4.783 -5.379 -0.751 1.00 0.00 C ATOM 100 C ILE A 6 -6.047 -5.288 0.147 1.00 0.00 C ATOM 101 O ILE A 6 -6.882 -6.177 0.100 1.00 0.00 O ATOM 102 CB ILE A 6 -5.173 -5.545 -2.248 1.00 0.00 C ATOM 103 CG1 ILE A 6 -5.965 -6.801 -2.496 1.00 0.00 C ATOM 104 CG2 ILE A 6 -3.951 -5.532 -3.177 1.00 0.00 C ATOM 105 CD1 ILE A 6 -6.923 -6.697 -3.617 1.00 0.00 C ATOM 0 H ILE A 6 -4.444 -7.396 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.240 -4.449 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.798 -4.682 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.274 -7.620 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.510 -7.059 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.278 -5.651 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.423 -4.584 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.283 -6.351 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.454 -7.642 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.639 -5.901 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.384 -6.471 -4.537 1.00 0.00 H new ATOM 117 N SER A 7 -6.159 -4.248 1.018 1.00 0.00 N ATOM 118 CA SER A 7 -7.382 -4.081 1.855 1.00 0.00 C ATOM 119 C SER A 7 -7.565 -2.624 2.343 1.00 0.00 C ATOM 120 O SER A 7 -6.861 -1.694 1.918 1.00 0.00 O ATOM 121 CB SER A 7 -7.413 -5.015 3.085 1.00 0.00 C ATOM 122 OG SER A 7 -6.943 -6.299 2.765 1.00 0.00 O ATOM 0 H SER A 7 -5.444 -3.534 1.158 1.00 0.00 H new ATOM 0 HA SER A 7 -8.203 -4.352 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.802 -4.590 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.432 -5.083 3.466 1.00 0.00 H new ATOM 0 HG SER A 7 -7.197 -6.520 1.845 1.00 0.00 H new HETATM 128 N DTH A 8 -8.491 -2.451 3.287 1.00 0.00 N HETATM 129 CA DTH A 8 -8.800 -1.133 3.874 1.00 0.00 C HETATM 130 CB DTH A 8 -8.802 -1.135 5.418 1.00 0.00 C HETATM 131 CG2 DTH A 8 -7.543 -1.809 5.921 1.00 0.00 C HETATM 132 OG1 DTH A 8 -9.953 -1.807 5.917 1.00 0.00 O HETATM 133 C DTH A 8 -10.198 -0.667 3.446 1.00 0.00 C HETATM 134 O DTH A 8 -10.643 0.374 3.928 1.00 0.00 O HETATM 0 HG23 DTH A 8 -7.509 -2.835 5.556 1.00 0.00 H new HETATM 0 HG22 DTH A 8 -6.670 -1.266 5.559 1.00 0.00 H new HETATM 0 HG21 DTH A 8 -7.542 -1.812 7.011 1.00 0.00 H new HETATM 0 HB DTH A 8 -8.829 -0.105 5.774 1.00 0.00 H new HETATM 0 HA DTH A 8 -8.013 -0.471 3.512 1.00 0.00 H new HETATM 0 H DTH A 8 -8.305 -3.249 3.895 1.00 0.00 H new ATOM 141 N ALA A 9 -10.900 -1.469 2.660 1.00 0.00 N ATOM 142 CA ALA A 9 -12.254 -1.201 2.232 1.00 0.00 C ATOM 143 C ALA A 9 -13.191 -1.422 3.358 1.00 0.00 C ATOM 144 O ALA A 9 -13.928 -0.543 3.789 1.00 0.00 O ATOM 145 CB ALA A 9 -12.626 -2.158 1.112 1.00 0.00 C ATOM 0 H ALA A 9 -10.529 -2.346 2.295 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.318 -0.168 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.647 -1.958 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.944 -2.019 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.554 -3.184 1.472 1.00 0.00 H new ATOM 151 N LEU A 10 -13.114 -2.631 3.830 1.00 0.00 N ATOM 152 CA LEU A 10 -13.958 -3.073 4.937 1.00 0.00 C ATOM 153 C LEU A 10 -13.402 -2.566 6.246 1.00 0.00 C ATOM 154 O LEU A 10 -14.107 -1.936 7.045 1.00 0.00 O ATOM 155 CB LEU A 10 -14.080 -4.606 5.008 1.00 0.00 C ATOM 156 CG LEU A 10 -14.895 -5.272 3.892 1.00 0.00 C ATOM 157 CD1 LEU A 10 -14.487 -4.709 2.552 1.00 0.00 C ATOM 158 CD2 LEU A 10 -14.732 -6.784 3.896 1.00 0.00 C ATOM 0 H LEU A 10 -12.477 -3.343 3.474 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.952 -2.663 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.076 -5.031 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.530 -4.870 5.965 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.948 -5.055 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.070 -5.186 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.670 -3.634 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.427 -4.899 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.326 -7.216 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.682 -7.037 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.071 -7.184 4.851 1.00 0.00 H new ATOM 170 N ILE A 11 -12.119 -2.812 6.441 1.00 0.00 N ATOM 171 CA ILE A 11 -11.467 -2.408 7.676 1.00 0.00 C ATOM 172 C ILE A 11 -10.210 -1.658 7.311 1.00 0.00 C ATOM 173 O ILE A 11 -9.540 -0.996 8.107 1.00 0.00 O ATOM 174 CB ILE A 11 -11.112 -3.618 8.594 1.00 0.00 C ATOM 175 CG1 ILE A 11 -12.283 -4.611 8.729 1.00 0.00 C ATOM 176 CG2 ILE A 11 -10.722 -3.118 9.971 1.00 0.00 C ATOM 177 CD1 ILE A 11 -11.910 -5.918 9.411 1.00 0.00 C ATOM 0 H ILE A 11 -11.513 -3.284 5.770 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.156 -1.782 8.242 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.279 -4.145 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.086 -4.136 9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.676 -4.830 7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.475 -3.966 10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.856 -2.462 9.888 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.555 -2.566 10.407 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.787 -6.562 9.468 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.129 -6.418 8.838 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.546 -5.712 10.417 1.00 0.00 H new TER 189 ILE A 11 HETATM 190 N ZAE B 1 -9.503 3.524 0.497 1.00 0.00 N HETATM 191 CA ZAE B 1 -9.434 2.727 -0.768 1.00 0.00 C HETATM 192 C ZAE B 1 -8.623 1.431 -0.609 1.00 0.00 C HETATM 193 O ZAE B 1 -9.159 0.402 -0.206 1.00 0.00 O HETATM 194 CB ZAE B 1 -10.832 2.371 -1.267 1.00 0.00 C HETATM 195 CG ZAE B 1 -10.888 2.246 -2.759 1.00 0.00 C HETATM 196 CD1 ZAE B 1 -11.852 2.931 -3.483 1.00 0.00 C HETATM 197 CD2 ZAE B 1 -9.930 1.509 -3.447 1.00 0.00 C HETATM 198 CE1 ZAE B 1 -11.894 2.846 -4.864 1.00 0.00 C HETATM 199 CE2 ZAE B 1 -9.968 1.416 -4.828 1.00 0.00 C HETATM 200 CZ ZAE B 1 -10.937 2.106 -5.540 1.00 0.00 C HETATM 201 C10 ZAE B 1 -9.546 2.666 1.685 1.00 0.00 C HETATM 0 HZ ZAE B 1 -10.946 2.067 -6.629 1.00 0.00 H new HETATM 0 HE2 ZAE B 1 -9.238 0.802 -5.354 1.00 0.00 H new HETATM 0 HE1 ZAE B 1 -12.679 3.360 -5.419 1.00 0.00 H new HETATM 0 HD2 ZAE B 1 -9.141 0.999 -2.893 1.00 0.00 H new HETATM 0 HD1 ZAE B 1 -12.585 3.544 -2.959 1.00 0.00 H new HETATM 0 HB3 ZAE B 1 -11.149 1.432 -0.814 1.00 0.00 H new HETATM 0 HB2 ZAE B 1 -11.537 3.136 -0.942 1.00 0.00 H new HETATM 0 HA ZAE B 1 -8.927 3.362 -1.494 1.00 0.00 H new HETATM 0 H13 ZAE B 1 -10.426 2.024 1.639 1.00 0.00 H new HETATM 0 H12 ZAE B 1 -8.648 2.049 1.721 1.00 0.00 H new HETATM 0 H11 ZAE B 1 -9.596 3.286 2.580 1.00 0.00 H new HETATM 0 H ZAE B 1 -9.518 4.543 0.529 1.00 0.00 H new ATOM 215 N ILE B 2 -7.335 1.481 -0.911 1.00 0.00 N ATOM 216 CA ILE B 2 -6.504 0.290 -0.819 1.00 0.00 C ATOM 217 C ILE B 2 -5.271 0.614 -0.003 1.00 0.00 C ATOM 218 O ILE B 2 -4.667 1.685 -0.161 1.00 0.00 O ATOM 219 CB ILE B 2 -6.120 -0.295 -2.222 1.00 0.00 C ATOM 220 CG1 ILE B 2 -4.686 -0.835 -2.236 1.00 0.00 C ATOM 221 CG2 ILE B 2 -6.310 0.725 -3.335 1.00 0.00 C ATOM 222 CD1 ILE B 2 -4.583 -2.336 -2.078 1.00 0.00 C ATOM 0 H ILE B 2 -6.847 2.322 -1.218 1.00 0.00 H new ATOM 0 HA ILE B 2 -7.082 -0.490 -0.323 1.00 0.00 H new ATOM 0 HB ILE B 2 -6.801 -1.126 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -4.211 -0.547 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -4.123 -0.358 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.032 0.278 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -7.354 1.035 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.680 1.593 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -3.534 -2.633 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -5.025 -2.633 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.115 -2.825 -2.894 1.00 0.00 H new ATOM 234 N SER B 3 -4.947 -0.286 0.909 1.00 0.00 N ATOM 235 CA SER B 3 -3.779 -0.131 1.752 1.00 0.00 C ATOM 236 C SER B 3 -3.003 -1.425 1.859 1.00 0.00 C ATOM 237 O SER B 3 -3.570 -2.530 1.966 1.00 0.00 O ATOM 238 CB SER B 3 -4.137 0.368 3.148 1.00 0.00 C ATOM 239 OG SER B 3 -4.846 1.587 3.126 1.00 0.00 O ATOM 0 H SER B 3 -5.482 -1.137 1.084 1.00 0.00 H new ATOM 0 HA SER B 3 -3.153 0.622 1.273 1.00 0.00 H new ATOM 0 HB2 SER B 3 -4.737 -0.387 3.656 1.00 0.00 H new ATOM 0 HB3 SER B 3 -3.224 0.494 3.729 1.00 0.00 H new ATOM 0 HG SER B 3 -5.204 1.774 4.019 1.00 0.00 H new HETATM 245 N DAR B 4 -1.698 -1.273 1.840 1.00 0.00 N HETATM 246 CA DAR B 4 -0.809 -2.404 1.934 1.00 0.00 C HETATM 247 CB DAR B 4 0.032 -2.327 3.195 1.00 0.00 C HETATM 248 CG DAR B 4 -0.772 -2.094 4.458 1.00 0.00 C HETATM 249 CD DAR B 4 -1.382 -3.386 4.971 1.00 0.00 C HETATM 250 NE DAR B 4 -2.468 -3.852 4.117 1.00 0.00 N HETATM 251 CZ DAR B 4 -3.167 -4.963 4.338 1.00 0.00 C HETATM 252 NH1 DAR B 4 -4.148 -5.299 3.513 1.00 0.00 N HETATM 253 NH2 DAR B 4 -2.885 -5.742 5.377 1.00 0.00 N HETATM 254 C DAR B 4 0.111 -2.466 0.744 1.00 0.00 C HETATM 255 O DAR B 4 0.917 -1.547 0.532 1.00 0.00 O HETATM 0 HH22 DAR B 4 -3.426 -6.592 5.539 1.00 0.00 H new HETATM 0 HH21 DAR B 4 -2.128 -5.490 6.012 1.00 0.00 H new HETATM 0 HH12 DAR B 4 -4.686 -6.150 3.680 1.00 0.00 H new HETATM 0 HH11 DAR B 4 -4.366 -4.707 2.711 1.00 0.00 H new HETATM 0 HG3 DAR B 4 -0.130 -1.663 5.226 1.00 0.00 H new HETATM 0 HG2 DAR B 4 -1.562 -1.370 4.260 1.00 0.00 H new HETATM 0 HE DAR B 4 -2.707 -3.292 3.299 1.00 0.00 H new HETATM 0 HD3 DAR B 4 -0.610 -4.154 5.028 1.00 0.00 H new HETATM 0 HD2 DAR B 4 -1.756 -3.234 5.983 1.00 0.00 H new HETATM 0 HB3 DAR B 4 0.595 -3.254 3.301 1.00 0.00 H new HETATM 0 HB2 DAR B 4 0.759 -1.523 3.086 1.00 0.00 H new HETATM 0 HA DAR B 4 -1.428 -3.301 1.962 1.00 0.00 H new HETATM 269 N 28J B 5 -0.018 -3.543 -0.026 1.00 0.00 N HETATM 270 CA 28J B 5 0.821 -3.750 -1.191 1.00 0.00 C HETATM 271 CB 28J B 5 0.020 -3.580 -2.513 1.00 0.00 C HETATM 272 CG2 28J B 5 0.550 -2.386 -3.294 1.00 0.00 C HETATM 273 CG1 28J B 5 0.117 -4.842 -3.380 1.00 0.00 C HETATM 274 CD1 28J B 5 -0.576 -4.721 -4.725 1.00 0.00 C HETATM 275 C 28J B 5 1.475 -5.134 -1.139 1.00 0.00 C HETATM 276 O 28J B 5 0.942 -6.071 -0.530 1.00 0.00 O ATOM 287 N ILE B 6 2.675 -5.221 -1.711 1.00 0.00 N ATOM 288 CA ILE B 6 3.421 -6.482 -1.807 1.00 0.00 C ATOM 289 C ILE B 6 4.901 -6.326 -1.424 1.00 0.00 C ATOM 290 O ILE B 6 5.651 -5.696 -2.166 1.00 0.00 O ATOM 291 CB ILE B 6 3.321 -7.003 -3.263 1.00 0.00 C ATOM 292 CG1 ILE B 6 4.281 -8.146 -3.534 1.00 0.00 C ATOM 293 CG2 ILE B 6 3.550 -5.884 -4.285 1.00 0.00 C ATOM 294 CD1 ILE B 6 3.931 -8.955 -4.744 1.00 0.00 C ATOM 0 H ILE B 6 3.160 -4.423 -2.121 1.00 0.00 H new ATOM 0 HA ILE B 6 2.980 -7.186 -1.102 1.00 0.00 H new ATOM 0 HB ILE B 6 2.304 -7.379 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE B 6 5.286 -7.743 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.305 -8.802 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.472 -6.291 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE B 6 2.799 -5.106 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE B 6 4.543 -5.458 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.663 -9.753 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.939 -9.389 -4.617 1.00 0.00 H new ATOM 0 HD13 ILE B 6 3.936 -8.313 -5.625 1.00 0.00 H new ATOM 306 N SER B 7 5.323 -6.877 -0.257 1.00 0.00 N ATOM 307 CA SER B 7 6.743 -6.811 0.147 1.00 0.00 C ATOM 308 C SER B 7 7.073 -7.800 1.275 1.00 0.00 C ATOM 309 O SER B 7 6.198 -8.262 2.027 1.00 0.00 O ATOM 310 CB SER B 7 7.156 -5.411 0.594 1.00 0.00 C ATOM 311 OG SER B 7 6.254 -4.911 1.534 1.00 0.00 O ATOM 0 H SER B 7 4.714 -7.360 0.404 1.00 0.00 H new ATOM 0 HA SER B 7 7.306 -7.082 -0.746 1.00 0.00 H new ATOM 0 HB2 SER B 7 8.158 -5.441 1.023 1.00 0.00 H new ATOM 0 HB3 SER B 7 7.198 -4.745 -0.268 1.00 0.00 H new ATOM 0 HG SER B 7 6.534 -4.014 1.811 1.00 0.00 H new HETATM 317 N DTH B 8 8.368 -8.094 1.380 1.00 0.00 N HETATM 318 CA DTH B 8 8.909 -9.007 2.395 1.00 0.00 C HETATM 319 CB DTH B 8 9.747 -8.286 3.477 1.00 0.00 C HETATM 320 CG2 DTH B 8 8.909 -7.193 4.113 1.00 0.00 C HETATM 321 OG1 DTH B 8 10.926 -7.728 2.901 1.00 0.00 O HETATM 322 C DTH B 8 9.899 -10.053 1.791 1.00 0.00 C HETATM 323 O DTH B 8 10.294 -10.950 2.536 1.00 0.00 O HETATM 0 HG23 DTH B 8 8.605 -6.477 3.350 1.00 0.00 H new HETATM 0 HG22 DTH B 8 8.023 -7.633 4.571 1.00 0.00 H new HETATM 0 HG21 DTH B 8 9.496 -6.682 4.876 1.00 0.00 H new HETATM 0 HB DTH B 8 10.045 -9.006 4.240 1.00 0.00 H new HETATM 0 HA DTH B 8 8.015 -9.470 2.814 1.00 0.00 H new ATOM 330 N ALA B 9 10.302 -9.892 0.525 1.00 0.00 N ATOM 331 CA ALA B 9 11.251 -10.746 -0.157 1.00 0.00 C ATOM 332 C ALA B 9 12.645 -10.461 0.296 1.00 0.00 C ATOM 333 O ALA B 9 13.326 -11.262 0.932 1.00 0.00 O ATOM 334 CB ALA B 9 11.150 -10.454 -1.667 1.00 0.00 C ATOM 0 H ALA B 9 9.958 -9.134 -0.064 1.00 0.00 H new ATOM 0 HA ALA B 9 11.023 -11.789 0.063 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.856 -11.085 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA B 9 10.137 -10.665 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA B 9 11.385 -9.406 -1.851 1.00 0.00 H new ATOM 340 N LEU B 10 12.988 -9.272 -0.063 1.00 0.00 N ATOM 341 CA LEU B 10 14.252 -8.644 0.187 1.00 0.00 C ATOM 342 C LEU B 10 14.246 -8.011 1.559 1.00 0.00 C ATOM 343 O LEU B 10 15.154 -8.221 2.375 1.00 0.00 O ATOM 344 CB LEU B 10 14.459 -7.575 -0.904 1.00 0.00 C ATOM 345 CG LEU B 10 15.358 -6.385 -0.511 1.00 0.00 C ATOM 346 CD1 LEU B 10 16.385 -6.197 -1.585 1.00 0.00 C ATOM 347 CD2 LEU B 10 14.588 -5.066 -0.315 1.00 0.00 C ATOM 0 H LEU B 10 12.350 -8.664 -0.577 1.00 0.00 H new ATOM 0 HA LEU B 10 15.063 -9.372 0.159 1.00 0.00 H new ATOM 0 HB2 LEU B 10 14.889 -8.057 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU B 10 13.483 -7.188 -1.198 1.00 0.00 H new ATOM 0 HG LEU B 10 15.811 -6.625 0.451 1.00 0.00 H new ATOM 0 HD11 LEU B 10 17.032 -5.359 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU B 10 16.984 -7.103 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU B 10 15.887 -5.992 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU B 10 15.286 -4.275 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU B 10 14.083 -4.798 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU B 10 13.850 -5.190 0.477 1.00 0.00 H new ATOM 359 N ILE B 11 13.184 -7.261 1.816 1.00 0.00 N ATOM 360 CA ILE B 11 13.047 -6.563 3.088 1.00 0.00 C ATOM 361 C ILE B 11 11.826 -7.101 3.807 1.00 0.00 C ATOM 362 O ILE B 11 11.661 -7.008 5.025 1.00 0.00 O ATOM 363 CB ILE B 11 12.915 -5.014 2.930 1.00 0.00 C ATOM 364 CG1 ILE B 11 14.177 -4.264 3.396 1.00 0.00 C ATOM 365 CG2 ILE B 11 11.726 -4.525 3.732 1.00 0.00 C ATOM 366 CD1 ILE B 11 14.163 -2.773 3.083 1.00 0.00 C ATOM 0 H ILE B 11 12.410 -7.120 1.167 1.00 0.00 H new ATOM 0 HA ILE B 11 13.958 -6.743 3.659 1.00 0.00 H new ATOM 0 HB ILE B 11 12.779 -4.807 1.868 1.00 0.00 H new ATOM 0 HG12 ILE B 11 14.290 -4.398 4.472 1.00 0.00 H new ATOM 0 HG13 ILE B 11 15.050 -4.715 2.925 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.633 -3.445 3.623 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.818 -5.006 3.367 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.870 -4.772 4.784 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.085 -2.317 3.443 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.083 -2.628 2.006 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.311 -2.306 3.577 1.00 0.00 H new TER 378 ILE B 11 HETATM 379 N ZAE E 1 9.166 -4.000 -1.390 1.00 0.00 N HETATM 380 CA ZAE E 1 8.417 -3.662 -2.644 1.00 0.00 C HETATM 381 C ZAE E 1 7.618 -2.354 -2.532 1.00 0.00 C HETATM 382 O ZAE E 1 8.195 -1.263 -2.485 1.00 0.00 O HETATM 383 CB ZAE E 1 9.379 -3.537 -3.815 1.00 0.00 C HETATM 384 CG ZAE E 1 8.710 -3.664 -5.159 1.00 0.00 C HETATM 385 CD1 ZAE E 1 8.823 -4.837 -5.902 1.00 0.00 C HETATM 386 CD2 ZAE E 1 7.985 -2.602 -5.690 1.00 0.00 C HETATM 387 CE1 ZAE E 1 8.201 -4.958 -7.134 1.00 0.00 C HETATM 388 CE2 ZAE E 1 7.362 -2.716 -6.922 1.00 0.00 C HETATM 389 CZ ZAE E 1 7.478 -3.893 -7.651 1.00 0.00 C HETATM 390 C10 ZAE E 1 10.462 -3.317 -1.339 1.00 0.00 C HETATM 0 HZ ZAE E 1 7.002 -3.979 -8.628 1.00 0.00 H new HETATM 0 HE2 ZAE E 1 6.781 -1.883 -7.319 1.00 0.00 H new HETATM 0 HE1 ZAE E 1 8.280 -5.889 -7.696 1.00 0.00 H new HETATM 0 HD2 ZAE E 1 7.906 -1.670 -5.130 1.00 0.00 H new HETATM 0 HD1 ZAE E 1 9.407 -5.669 -5.510 1.00 0.00 H new HETATM 0 HB3 ZAE E 1 9.884 -2.572 -3.759 1.00 0.00 H new HETATM 0 HB2 ZAE E 1 10.148 -4.305 -3.727 1.00 0.00 H new HETATM 0 HA ZAE E 1 7.712 -4.477 -2.804 1.00 0.00 H new HETATM 0 H13 ZAE E 1 11.067 -3.619 -2.194 1.00 0.00 H new HETATM 0 H12 ZAE E 1 10.306 -2.239 -1.368 1.00 0.00 H new HETATM 0 H11 ZAE E 1 10.978 -3.584 -0.417 1.00 0.00 H new HETATM 0 H ZAE E 1 8.818 -4.626 -0.664 1.00 0.00 H new ATOM 404 N ILE E 2 6.300 -2.461 -2.470 1.00 0.00 N ATOM 405 CA ILE E 2 5.447 -1.279 -2.410 1.00 0.00 C ATOM 406 C ILE E 2 4.479 -1.414 -1.255 1.00 0.00 C ATOM 407 O ILE E 2 3.904 -2.485 -1.033 1.00 0.00 O ATOM 408 CB ILE E 2 4.665 -1.034 -3.751 1.00 0.00 C ATOM 409 CG1 ILE E 2 3.387 -0.219 -3.512 1.00 0.00 C ATOM 410 CG2 ILE E 2 4.327 -2.346 -4.454 1.00 0.00 C ATOM 411 CD1 ILE E 2 2.565 0.029 -4.755 1.00 0.00 C ATOM 0 H ILE E 2 5.797 -3.348 -2.460 1.00 0.00 H new ATOM 0 HA ILE E 2 6.091 -0.413 -2.257 1.00 0.00 H new ATOM 0 HB ILE E 2 5.325 -0.460 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE E 2 2.769 -0.740 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE E 2 3.659 0.741 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE E 2 3.787 -2.136 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE E 2 5.247 -2.882 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE E 2 3.705 -2.959 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE E 2 1.681 0.611 -4.496 1.00 0.00 H new ATOM 0 HD12 ILE E 2 3.162 0.579 -5.482 1.00 0.00 H new ATOM 0 HD13 ILE E 2 2.258 -0.925 -5.185 1.00 0.00 H new ATOM 423 N SER E 3 4.348 -0.345 -0.490 1.00 0.00 N ATOM 424 CA SER E 3 3.418 -0.329 0.614 1.00 0.00 C ATOM 425 C SER E 3 2.706 0.999 0.691 1.00 0.00 C ATOM 426 O SER E 3 3.266 2.059 0.360 1.00 0.00 O ATOM 427 CB SER E 3 4.080 -0.632 1.950 1.00 0.00 C ATOM 428 OG SER E 3 4.623 -1.939 2.005 1.00 0.00 O ATOM 0 H SER E 3 4.875 0.519 -0.616 1.00 0.00 H new ATOM 0 HA SER E 3 2.698 -1.123 0.419 1.00 0.00 H new ATOM 0 HB2 SER E 3 4.872 0.094 2.132 1.00 0.00 H new ATOM 0 HB3 SER E 3 3.348 -0.513 2.749 1.00 0.00 H new ATOM 0 HG SER E 3 5.173 -2.031 2.811 1.00 0.00 H new HETATM 434 N DAR E 4 1.471 0.929 1.138 1.00 0.00 N HETATM 435 CA DAR E 4 0.654 2.114 1.274 1.00 0.00 C HETATM 436 CB DAR E 4 0.277 2.346 2.732 1.00 0.00 C HETATM 437 CG DAR E 4 1.462 2.410 3.682 1.00 0.00 C HETATM 438 CD DAR E 4 2.118 3.779 3.669 1.00 0.00 C HETATM 439 NE DAR E 4 2.966 3.962 2.494 1.00 0.00 N HETATM 440 CZ DAR E 4 3.557 5.113 2.175 1.00 0.00 C HETATM 441 NH1 DAR E 4 4.308 5.189 1.085 1.00 0.00 N HETATM 442 NH2 DAR E 4 3.381 6.192 2.929 1.00 0.00 N HETATM 443 C DAR E 4 -0.606 1.989 0.448 1.00 0.00 C HETATM 444 O DAR E 4 -1.372 1.027 0.621 1.00 0.00 O HETATM 0 HH22 DAR E 4 3.837 7.069 2.678 1.00 0.00 H new HETATM 0 HH21 DAR E 4 2.790 6.143 3.759 1.00 0.00 H new HETATM 0 HH12 DAR E 4 4.762 6.069 0.838 1.00 0.00 H new HETATM 0 HH11 DAR E 4 4.432 4.368 0.493 1.00 0.00 H new HETATM 0 HG3 DAR E 4 1.131 2.175 4.693 1.00 0.00 H new HETATM 0 HG2 DAR E 4 2.194 1.653 3.402 1.00 0.00 H new HETATM 0 HE DAR E 4 3.115 3.161 1.881 1.00 0.00 H new HETATM 0 HD3 DAR E 4 1.349 4.551 3.686 1.00 0.00 H new HETATM 0 HD2 DAR E 4 2.716 3.904 4.572 1.00 0.00 H new HETATM 0 HB3 DAR E 4 -0.284 3.278 2.806 1.00 0.00 H new HETATM 0 HB2 DAR E 4 -0.389 1.546 3.054 1.00 0.00 H new HETATM 0 HA DAR E 4 1.237 2.962 0.916 1.00 0.00 H new HETATM 458 N 28J E 5 -0.813 2.953 -0.453 1.00 0.00 N HETATM 459 CA 28J E 5 -1.998 2.951 -1.299 1.00 0.00 C HETATM 460 CB 28J E 5 -1.678 2.400 -2.719 1.00 0.00 C HETATM 461 CG2 28J E 5 -2.666 1.301 -3.100 1.00 0.00 C HETATM 462 CG1 28J E 5 -1.727 3.523 -3.762 1.00 0.00 C HETATM 463 CD1 28J E 5 -1.463 3.058 -5.183 1.00 0.00 C HETATM 464 C 28J E 5 -2.631 4.353 -1.391 1.00 0.00 C HETATM 465 O 28J E 5 -1.946 5.379 -1.243 1.00 0.00 O ATOM 476 N ILE E 6 -3.961 4.365 -1.570 1.00 0.00 N ATOM 477 CA ILE E 6 -4.750 5.601 -1.729 1.00 0.00 C ATOM 478 C ILE E 6 -6.070 5.548 -0.952 1.00 0.00 C ATOM 479 O ILE E 6 -6.932 4.734 -1.270 1.00 0.00 O ATOM 480 CB ILE E 6 -5.050 5.837 -3.237 1.00 0.00 C ATOM 481 CG1 ILE E 6 -6.047 6.971 -3.461 1.00 0.00 C ATOM 482 CG2 ILE E 6 -5.571 4.565 -3.907 1.00 0.00 C ATOM 483 CD1 ILE E 6 -6.227 7.358 -4.896 1.00 0.00 C ATOM 0 H ILE E 6 -4.524 3.515 -1.609 1.00 0.00 H new ATOM 0 HA ILE E 6 -4.158 6.422 -1.325 1.00 0.00 H new ATOM 0 HB ILE E 6 -4.102 6.122 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE E 6 -7.013 6.676 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE E 6 -5.717 7.845 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE E 6 -5.771 4.764 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE E 6 -4.823 3.777 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE E 6 -6.491 4.246 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE E 6 -6.951 8.170 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE E 6 -5.272 7.687 -5.307 1.00 0.00 H new ATOM 0 HD13 ILE E 6 -6.589 6.499 -5.462 1.00 0.00 H new ATOM 495 N SER E 7 -6.205 6.404 0.080 1.00 0.00 N ATOM 496 CA SER E 7 -7.436 6.492 0.891 1.00 0.00 C ATOM 497 C SER E 7 -7.448 7.769 1.728 1.00 0.00 C ATOM 498 O SER E 7 -6.641 8.687 1.507 1.00 0.00 O ATOM 499 CB SER E 7 -7.539 5.309 1.838 1.00 0.00 C ATOM 500 OG SER E 7 -6.922 4.187 1.266 1.00 0.00 O ATOM 0 H SER E 7 -5.471 7.049 0.373 1.00 0.00 H new ATOM 0 HA SER E 7 -8.278 6.494 0.199 1.00 0.00 H new ATOM 0 HB2 SER E 7 -7.065 5.551 2.789 1.00 0.00 H new ATOM 0 HB3 SER E 7 -8.586 5.091 2.050 1.00 0.00 H new ATOM 0 HG SER E 7 -7.204 4.099 0.332 1.00 0.00 H new HETATM 506 N DTH E 8 -8.354 7.825 2.707 1.00 0.00 N HETATM 507 CA DTH E 8 -8.468 8.975 3.601 1.00 0.00 C HETATM 508 CB DTH E 8 -8.891 8.621 5.057 1.00 0.00 C HETATM 509 CG2 DTH E 8 -8.109 7.418 5.518 1.00 0.00 C HETATM 510 OG1 DTH E 8 -10.316 8.372 5.153 1.00 0.00 O HETATM 511 C DTH E 8 -9.523 9.959 2.918 1.00 0.00 C HETATM 512 O DTH E 8 -9.212 11.145 2.873 1.00 0.00 O HETATM 0 HG23 DTH E 8 -8.318 6.574 4.860 1.00 0.00 H new HETATM 0 HG22 DTH E 8 -7.043 7.645 5.491 1.00 0.00 H new HETATM 0 HG21 DTH E 8 -8.400 7.164 6.537 1.00 0.00 H new HETATM 0 HB DTH E 8 -8.671 9.472 5.702 1.00 0.00 H new HETATM 0 HA DTH E 8 -7.486 9.432 3.721 1.00 0.00 H new HETATM 0 H DTH E 8 -8.547 6.886 3.056 1.00 0.00 H new ATOM 519 N ALA E 9 -10.530 9.405 2.283 1.00 0.00 N ATOM 520 CA ALA E 9 -11.465 10.064 1.549 1.00 0.00 C ATOM 521 C ALA E 9 -12.555 10.410 2.557 1.00 0.00 C ATOM 522 O ALA E 9 -12.528 11.530 3.120 1.00 0.00 O ATOM 523 CB ALA E 9 -11.954 9.056 0.481 1.00 0.00 C ATOM 0 H ALA E 9 -10.686 8.397 2.298 1.00 0.00 H new ATOM 0 HA ALA E 9 -11.124 10.967 1.041 1.00 0.00 H new ATOM 0 HB1 ALA E 9 -12.711 9.528 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA E 9 -11.113 8.746 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA E 9 -12.383 8.183 0.974 1.00 0.00 H new ATOM 529 N LEU E 10 -13.476 9.456 2.757 1.00 0.00 N ATOM 530 CA LEU E 10 -14.537 9.495 3.822 1.00 0.00 C ATOM 531 C LEU E 10 -14.043 9.035 5.225 1.00 0.00 C ATOM 532 O LEU E 10 -14.649 9.361 6.254 1.00 0.00 O ATOM 533 CB LEU E 10 -15.710 8.549 3.433 1.00 0.00 C ATOM 534 CG LEU E 10 -15.325 7.172 2.884 1.00 0.00 C ATOM 535 CD1 LEU E 10 -14.646 7.392 1.578 1.00 0.00 C ATOM 536 CD2 LEU E 10 -14.414 6.380 3.826 1.00 0.00 C ATOM 0 H LEU E 10 -13.521 8.614 2.183 1.00 0.00 H new ATOM 0 HA LEU E 10 -14.840 10.540 3.886 1.00 0.00 H new ATOM 0 HB2 LEU E 10 -16.336 8.402 4.313 1.00 0.00 H new ATOM 0 HB3 LEU E 10 -16.323 9.055 2.687 1.00 0.00 H new ATOM 0 HG LEU E 10 -16.229 6.573 2.775 1.00 0.00 H new ATOM 0 HD11 LEU E 10 -14.355 6.431 1.153 1.00 0.00 H new ATOM 0 HD12 LEU E 10 -15.327 7.900 0.895 1.00 0.00 H new ATOM 0 HD13 LEU E 10 -13.758 8.006 1.728 1.00 0.00 H new ATOM 0 HD21 LEU E 10 -14.179 5.415 3.378 1.00 0.00 H new ATOM 0 HD22 LEU E 10 -13.492 6.937 3.994 1.00 0.00 H new ATOM 0 HD23 LEU E 10 -14.922 6.224 4.778 1.00 0.00 H new ATOM 548 N ILE E 11 -12.940 8.289 5.240 1.00 0.00 N ATOM 549 CA ILE E 11 -12.342 7.781 6.495 1.00 0.00 C ATOM 550 C ILE E 11 -10.823 8.013 6.457 1.00 0.00 C ATOM 551 O ILE E 11 -10.114 7.891 7.466 1.00 0.00 O ATOM 552 CB ILE E 11 -12.619 6.260 6.776 1.00 0.00 C ATOM 553 CG1 ILE E 11 -14.108 5.981 7.065 1.00 0.00 C ATOM 554 CG2 ILE E 11 -11.789 5.770 7.965 1.00 0.00 C ATOM 555 CD1 ILE E 11 -14.489 4.503 7.012 1.00 0.00 C ATOM 0 H ILE E 11 -12.433 8.016 4.398 1.00 0.00 H new ATOM 0 HA ILE E 11 -12.818 8.334 7.305 1.00 0.00 H new ATOM 0 HB ILE E 11 -12.335 5.722 5.872 1.00 0.00 H new ATOM 0 HG12 ILE E 11 -14.355 6.373 8.052 1.00 0.00 H new ATOM 0 HG13 ILE E 11 -14.715 6.527 6.343 1.00 0.00 H new ATOM 0 HG21 ILE E 11 -11.996 4.715 8.143 1.00 0.00 H new ATOM 0 HG22 ILE E 11 -10.729 5.901 7.747 1.00 0.00 H new ATOM 0 HG23 ILE E 11 -12.050 6.345 8.853 1.00 0.00 H new ATOM 0 HD11 ILE E 11 -15.552 4.393 7.226 1.00 0.00 H new ATOM 0 HD12 ILE E 11 -14.277 4.108 6.019 1.00 0.00 H new ATOM 0 HD13 ILE E 11 -13.911 3.951 7.753 1.00 0.00 H new TER 567 ILE E 11 HETATM 568 N ZAE F 1 -9.152 14.297 0.778 1.00 0.00 N HETATM 569 CA ZAE F 1 -8.929 13.768 -0.612 1.00 0.00 C HETATM 570 C ZAE F 1 -8.258 12.394 -0.585 1.00 0.00 C HETATM 571 O ZAE F 1 -8.890 11.384 -0.271 1.00 0.00 O HETATM 572 CB ZAE F 1 -10.247 13.678 -1.395 1.00 0.00 C HETATM 573 CG ZAE F 1 -10.077 13.832 -2.889 1.00 0.00 C HETATM 574 CD1 ZAE F 1 -10.523 14.978 -3.541 1.00 0.00 C HETATM 575 CD2 ZAE F 1 -9.488 12.821 -3.648 1.00 0.00 C HETATM 576 CE1 ZAE F 1 -10.373 15.119 -4.914 1.00 0.00 C HETATM 577 CE2 ZAE F 1 -9.335 12.958 -5.021 1.00 0.00 C HETATM 578 CZ ZAE F 1 -9.786 14.105 -5.655 1.00 0.00 C HETATM 579 C10 ZAE F 1 -10.214 13.552 1.482 1.00 0.00 C HETATM 0 HZ ZAE F 1 -9.679 14.210 -6.735 1.00 0.00 H new HETATM 0 HE2 ZAE F 1 -8.861 12.165 -5.599 1.00 0.00 H new HETATM 0 HE1 ZAE F 1 -10.717 16.027 -5.409 1.00 0.00 H new HETATM 0 HD2 ZAE F 1 -9.143 11.911 -3.157 1.00 0.00 H new HETATM 0 HD1 ZAE F 1 -10.996 15.775 -2.967 1.00 0.00 H new HETATM 0 HB3 ZAE F 1 -10.717 12.716 -1.189 1.00 0.00 H new HETATM 0 HB2 ZAE F 1 -10.927 14.449 -1.034 1.00 0.00 H new HETATM 0 HA ZAE F 1 -8.268 14.473 -1.115 1.00 0.00 H new HETATM 0 H13 ZAE F 1 -11.149 13.640 0.928 1.00 0.00 H new HETATM 0 H12 ZAE F 1 -9.933 12.501 1.556 1.00 0.00 H new HETATM 0 H11 ZAE F 1 -10.345 13.964 2.483 1.00 0.00 H new HETATM 0 H ZAE F 1 -8.633 15.075 1.184 1.00 0.00 H new ATOM 593 N ILE F 2 -6.974 12.368 -0.899 1.00 0.00 N ATOM 594 CA ILE F 2 -6.223 11.125 -0.921 1.00 0.00 C ATOM 595 C ILE F 2 -4.995 11.249 -0.023 1.00 0.00 C ATOM 596 O ILE F 2 -4.310 12.274 -0.039 1.00 0.00 O ATOM 597 CB ILE F 2 -5.787 10.759 -2.380 1.00 0.00 C ATOM 598 CG1 ILE F 2 -4.409 10.081 -2.391 1.00 0.00 C ATOM 599 CG2 ILE F 2 -5.791 11.996 -3.280 1.00 0.00 C ATOM 600 CD1 ILE F 2 -3.811 9.893 -3.765 1.00 0.00 C ATOM 0 H ILE F 2 -6.429 13.195 -1.143 1.00 0.00 H new ATOM 0 HA ILE F 2 -6.865 10.327 -0.549 1.00 0.00 H new ATOM 0 HB ILE F 2 -6.514 10.050 -2.777 1.00 0.00 H new ATOM 0 HG12 ILE F 2 -3.722 10.675 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE F 2 -4.494 9.107 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE F 2 -5.484 11.714 -4.287 1.00 0.00 H new ATOM 0 HG22 ILE F 2 -6.795 12.420 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE F 2 -5.097 12.737 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE F 2 -2.839 9.407 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE F 2 -4.473 9.272 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE F 2 -3.688 10.864 -4.244 1.00 0.00 H new ATOM 612 N SER F 3 -4.769 10.240 0.812 1.00 0.00 N ATOM 613 CA SER F 3 -3.585 10.210 1.659 1.00 0.00 C ATOM 614 C SER F 3 -2.909 8.853 1.561 1.00 0.00 C ATOM 615 O SER F 3 -3.568 7.817 1.380 1.00 0.00 O ATOM 616 CB SER F 3 -3.872 10.550 3.121 1.00 0.00 C ATOM 617 OG SER F 3 -4.645 11.725 3.272 1.00 0.00 O ATOM 0 H SER F 3 -5.388 9.436 0.919 1.00 0.00 H new ATOM 0 HA SER F 3 -2.919 10.989 1.287 1.00 0.00 H new ATOM 0 HB2 SER F 3 -4.395 9.715 3.587 1.00 0.00 H new ATOM 0 HB3 SER F 3 -2.928 10.671 3.652 1.00 0.00 H new ATOM 0 HG SER F 3 -4.800 11.894 4.225 1.00 0.00 H new HETATM 623 N DAR F 4 -1.598 8.864 1.710 1.00 0.00 N HETATM 624 CA DAR F 4 -0.810 7.652 1.620 1.00 0.00 C HETATM 625 CB DAR F 4 -0.132 7.386 2.953 1.00 0.00 C HETATM 626 CG DAR F 4 -1.098 7.317 4.114 1.00 0.00 C HETATM 627 CD DAR F 4 -1.777 5.964 4.170 1.00 0.00 C HETATM 628 NE DAR F 4 -2.703 5.772 3.064 1.00 0.00 N HETATM 629 CZ DAR F 4 -3.388 4.650 2.864 1.00 0.00 C HETATM 630 NH1 DAR F 4 -4.187 4.541 1.813 1.00 0.00 N HETATM 631 NH2 DAR F 4 -3.258 3.629 3.702 1.00 0.00 N HETATM 632 C DAR F 4 0.253 7.763 0.540 1.00 0.00 C HETATM 633 O DAR F 4 1.147 8.604 0.635 1.00 0.00 O HETATM 0 HH22 DAR F 4 -3.785 2.770 3.545 1.00 0.00 H new HETATM 0 HH21 DAR F 4 -2.631 3.703 4.503 1.00 0.00 H new HETATM 0 HH12 DAR F 4 -4.713 3.681 1.659 1.00 0.00 H new HETATM 0 HH11 DAR F 4 -4.276 5.317 1.158 1.00 0.00 H new HETATM 0 HG3 DAR F 4 -0.565 7.500 5.047 1.00 0.00 H new HETATM 0 HG2 DAR F 4 -1.848 8.102 4.016 1.00 0.00 H new HETATM 0 HE DAR F 4 -2.834 6.540 2.406 1.00 0.00 H new HETATM 0 HD3 DAR F 4 -1.022 5.178 4.151 1.00 0.00 H new HETATM 0 HD2 DAR F 4 -2.314 5.867 5.113 1.00 0.00 H new HETATM 0 HB3 DAR F 4 0.418 6.447 2.891 1.00 0.00 H new HETATM 0 HB2 DAR F 4 0.599 8.172 3.144 1.00 0.00 H new HETATM 0 HA DAR F 4 -1.482 6.832 1.365 1.00 0.00 H new HETATM 647 N 28J F 5 0.162 6.917 -0.486 1.00 0.00 N HETATM 648 CA 28J F 5 1.156 6.942 -1.556 1.00 0.00 C HETATM 649 CB 28J F 5 0.613 7.652 -2.834 1.00 0.00 C HETATM 650 CG2 28J F 5 1.695 8.539 -3.445 1.00 0.00 C HETATM 651 CG1 28J F 5 0.148 6.629 -3.880 1.00 0.00 C HETATM 652 CD1 28J F 5 -0.340 7.252 -5.176 1.00 0.00 C HETATM 653 C 28J F 5 1.673 5.526 -1.879 1.00 0.00 C HETATM 654 O 28J F 5 1.052 4.513 -1.511 1.00 0.00 O ATOM 665 N ILE F 6 2.861 5.494 -2.514 1.00 0.00 N ATOM 666 CA ILE F 6 3.540 4.256 -2.944 1.00 0.00 C ATOM 667 C ILE F 6 5.057 4.275 -2.642 1.00 0.00 C ATOM 668 O ILE F 6 5.822 4.988 -3.301 1.00 0.00 O ATOM 669 CB ILE F 6 3.322 4.056 -4.476 1.00 0.00 C ATOM 670 CG1 ILE F 6 4.259 2.995 -5.059 1.00 0.00 C ATOM 671 CG2 ILE F 6 3.506 5.372 -5.249 1.00 0.00 C ATOM 672 CD1 ILE F 6 4.106 2.780 -6.528 1.00 0.00 C ATOM 0 H ILE F 6 3.383 6.339 -2.746 1.00 0.00 H new ATOM 0 HA ILE F 6 3.105 3.431 -2.379 1.00 0.00 H new ATOM 0 HB ILE F 6 2.294 3.713 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE F 6 5.289 3.284 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE F 6 4.083 2.050 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE F 6 3.347 5.195 -6.313 1.00 0.00 H new ATOM 0 HG22 ILE F 6 2.785 6.108 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE F 6 4.517 5.748 -5.091 1.00 0.00 H new ATOM 0 HD11 ILE F 6 4.806 2.013 -6.858 1.00 0.00 H new ATOM 0 HD12 ILE F 6 3.087 2.459 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE F 6 4.312 3.711 -7.055 1.00 0.00 H new ATOM 684 N SER F 7 5.483 3.509 -1.618 1.00 0.00 N ATOM 685 CA SER F 7 6.914 3.396 -1.241 1.00 0.00 C ATOM 686 C SER F 7 7.157 2.129 -0.411 1.00 0.00 C ATOM 687 O SER F 7 6.207 1.412 -0.061 1.00 0.00 O ATOM 688 CB SER F 7 7.338 4.572 -0.383 1.00 0.00 C ATOM 689 OG SER F 7 6.466 5.656 -0.592 1.00 0.00 O ATOM 0 H SER F 7 4.857 2.956 -1.033 1.00 0.00 H new ATOM 0 HA SER F 7 7.486 3.368 -2.168 1.00 0.00 H new ATOM 0 HB2 SER F 7 7.332 4.287 0.669 1.00 0.00 H new ATOM 0 HB3 SER F 7 8.359 4.863 -0.629 1.00 0.00 H new ATOM 0 HG SER F 7 6.608 6.022 -1.490 1.00 0.00 H new HETATM 695 N DTH F 8 8.430 1.872 -0.065 1.00 0.00 N HETATM 696 CA DTH F 8 8.764 0.692 0.755 1.00 0.00 C HETATM 697 CB DTH F 8 9.220 1.035 2.209 1.00 0.00 C HETATM 698 CG2 DTH F 8 8.163 1.912 2.871 1.00 0.00 C HETATM 699 OG1 DTH F 8 10.509 1.662 2.232 1.00 0.00 O HETATM 700 C DTH F 8 9.918 -0.104 0.123 1.00 0.00 C HETATM 701 O DTH F 8 10.145 -1.235 0.582 1.00 0.00 O HETATM 0 HG23 DTH F 8 8.043 2.832 2.299 1.00 0.00 H new HETATM 0 HG22 DTH F 8 7.214 1.377 2.902 1.00 0.00 H new HETATM 0 HG21 DTH F 8 8.476 2.155 3.887 1.00 0.00 H new HETATM 0 HB DTH F 8 9.321 0.107 2.772 1.00 0.00 H new HETATM 0 HA DTH F 8 7.836 0.121 0.796 1.00 0.00 H new ATOM 708 N ALA F 9 10.611 0.525 -0.812 1.00 0.00 N ATOM 709 CA ALA F 9 11.701 0.040 -1.536 1.00 0.00 C ATOM 710 C ALA F 9 12.871 0.023 -0.539 1.00 0.00 C ATOM 711 O ALA F 9 13.088 -0.980 0.133 1.00 0.00 O ATOM 712 CB ALA F 9 11.810 1.059 -2.679 1.00 0.00 C ATOM 0 H ALA F 9 10.375 1.479 -1.085 1.00 0.00 H new ATOM 0 HA ALA F 9 11.650 -0.963 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA F 9 12.641 0.788 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA F 9 10.884 1.061 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA F 9 11.982 2.053 -2.265 1.00 0.00 H new ATOM 718 N LEU F 10 13.551 1.172 -0.415 1.00 0.00 N ATOM 719 CA LEU F 10 14.687 1.335 0.511 1.00 0.00 C ATOM 720 C LEU F 10 14.218 1.331 1.959 1.00 0.00 C ATOM 721 O LEU F 10 14.794 0.682 2.833 1.00 0.00 O ATOM 722 CB LEU F 10 15.350 2.697 0.265 1.00 0.00 C ATOM 723 CG LEU F 10 15.813 3.006 -1.166 1.00 0.00 C ATOM 724 CD1 LEU F 10 15.887 1.730 -1.958 1.00 0.00 C ATOM 725 CD2 LEU F 10 14.914 4.015 -1.875 1.00 0.00 C ATOM 0 H LEU F 10 13.332 2.012 -0.950 1.00 0.00 H new ATOM 0 HA LEU F 10 15.377 0.509 0.337 1.00 0.00 H new ATOM 0 HB2 LEU F 10 14.648 3.474 0.568 1.00 0.00 H new ATOM 0 HB3 LEU F 10 16.215 2.775 0.924 1.00 0.00 H new ATOM 0 HG LEU F 10 16.800 3.462 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU F 10 16.216 1.951 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU F 10 16.596 1.050 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU F 10 14.902 1.263 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU F 10 15.291 4.194 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU F 10 13.899 3.621 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU F 10 14.909 4.952 -1.318 1.00 0.00 H new ATOM 737 N ILE F 11 13.173 2.084 2.161 1.00 0.00 N ATOM 738 CA ILE F 11 12.571 2.256 3.495 1.00 0.00 C ATOM 739 C ILE F 11 11.185 1.618 3.500 1.00 0.00 C ATOM 740 O ILE F 11 10.700 1.125 4.524 1.00 0.00 O ATOM 741 CB ILE F 11 12.443 3.751 3.925 1.00 0.00 C ATOM 742 CG1 ILE F 11 13.766 4.517 3.747 1.00 0.00 C ATOM 743 CG2 ILE F 11 11.997 3.844 5.378 1.00 0.00 C ATOM 744 CD1 ILE F 11 13.637 6.028 3.896 1.00 0.00 C ATOM 0 H ILE F 11 12.700 2.603 1.421 1.00 0.00 H new ATOM 0 HA ILE F 11 13.236 1.773 4.211 1.00 0.00 H new ATOM 0 HB ILE F 11 11.696 4.210 3.277 1.00 0.00 H new ATOM 0 HG12 ILE F 11 14.486 4.151 4.479 1.00 0.00 H new ATOM 0 HG13 ILE F 11 14.172 4.294 2.761 1.00 0.00 H new ATOM 0 HG21 ILE F 11 11.911 4.892 5.666 1.00 0.00 H new ATOM 0 HG22 ILE F 11 11.029 3.356 5.494 1.00 0.00 H new ATOM 0 HG23 ILE F 11 12.731 3.351 6.016 1.00 0.00 H new ATOM 0 HD11 ILE F 11 14.613 6.492 3.756 1.00 0.00 H new ATOM 0 HD12 ILE F 11 12.943 6.410 3.147 1.00 0.00 H new ATOM 0 HD13 ILE F 11 13.262 6.265 4.892 1.00 0.00 H new TER 756 ILE F 11 ATOM 757 N ALA C 1 -16.218 -6.271 -5.327 1.00 0.96 N ATOM 758 CA ALA C 1 -15.870 -6.448 -6.757 1.00 1.33 C ATOM 759 C ALA C 1 -14.313 -6.555 -6.928 1.00 1.47 C ATOM 760 O ALA C 1 -13.674 -7.527 -6.526 1.00 2.22 O ATOM 761 CB ALA C 1 -16.377 -5.281 -7.544 1.00 1.64 C ATOM 0 H2 ALA C 1 -16.850 -7.040 -5.026 1.00 0.96 H new ATOM 0 H3 ALA C 1 -15.351 -6.292 -4.754 1.00 0.96 H new ATOM 0 HA ALA C 1 -16.332 -7.366 -7.121 1.00 1.33 H new ATOM 0 HB1 ALA C 1 -16.121 -5.412 -8.595 1.00 1.64 H new ATOM 0 HB2 ALA C 1 -17.460 -5.215 -7.440 1.00 1.64 H new ATOM 0 HB3 ALA C 1 -15.920 -4.364 -7.171 1.00 1.64 H new HETATM 767 N DGL C 2 -13.791 -5.576 -7.813 1.00 1.40 N HETATM 768 CA DGL C 2 -12.276 -5.538 -7.890 1.00 1.77 C HETATM 769 C DGL C 2 -11.488 -6.136 -6.647 1.00 2.75 C HETATM 770 O DGL C 2 -11.738 -5.600 -5.477 1.00 3.37 O HETATM 771 CB DGL C 2 -11.813 -6.528 -8.905 1.00 1.85 C HETATM 772 CG DGL C 2 -12.825 -7.714 -9.278 1.00 1.57 C HETATM 773 CD DGL C 2 -12.111 -9.104 -9.300 1.00 1.38 C HETATM 774 OE1 DGL C 2 -12.400 -9.928 -10.177 1.00 1.94 O HETATM 0 HG3 DGL C 2 -13.641 -7.736 -8.555 1.00 1.57 H new HETATM 0 HG2 DGL C 2 -13.269 -7.519 -10.254 1.00 1.57 H new HETATM 0 HB3 DGL C 2 -11.572 -5.987 -9.820 1.00 1.85 H new HETATM 0 HB2 DGL C 2 -10.886 -6.974 -8.545 1.00 1.85 H new HETATM 0 HA DGL C 2 -12.085 -4.476 -8.042 1.00 1.77 H new HETATM 0 H2 DGL C 2 -14.350 -5.206 -8.582 1.00 1.40 H new ATOM 781 N LYS C 3 -11.212 -9.323 -8.380 1.00 1.36 N ATOM 782 CA LYS C 3 -10.484 -10.569 -8.243 1.00 1.66 C ATOM 783 C LYS C 3 -9.391 -10.793 -9.353 1.00 1.80 C ATOM 784 O LYS C 3 -9.593 -11.517 -10.338 1.00 2.55 O ATOM 785 CB LYS C 3 -11.452 -11.716 -7.948 1.00 1.94 C ATOM 786 CG LYS C 3 -10.637 -12.863 -7.291 1.00 2.15 C ATOM 787 CD LYS C 3 -10.888 -14.319 -7.840 1.00 2.64 C ATOM 788 CE LYS C 3 -10.414 -14.687 -9.308 1.00 2.86 C ATOM 789 NZ LYS C 3 -9.086 -14.340 -10.052 1.00 3.55 N1+ ATOM 0 HA LYS C 3 -9.844 -10.522 -7.362 1.00 1.66 H new ATOM 0 HB2 LYS C 3 -12.249 -11.383 -7.283 1.00 1.94 H new ATOM 0 HB3 LYS C 3 -11.927 -12.061 -8.866 1.00 1.94 H new ATOM 0 HG2 LYS C 3 -9.577 -12.635 -7.405 1.00 2.15 H new ATOM 0 HG3 LYS C 3 -10.850 -12.862 -6.222 1.00 2.15 H new ATOM 0 HD2 LYS C 3 -10.404 -15.015 -7.155 1.00 2.64 H new ATOM 0 HD3 LYS C 3 -11.960 -14.510 -7.784 1.00 2.64 H new ATOM 0 HE2 LYS C 3 -10.476 -15.774 -9.351 1.00 2.86 H new ATOM 0 HE3 LYS C 3 -11.200 -14.297 -9.955 1.00 2.86 H new ATOM 0 HZ1 LYS C 3 -9.187 -14.561 -11.063 1.00 3.55 H new ATOM 0 HZ2 LYS C 3 -8.879 -13.327 -9.938 1.00 3.55 H new ATOM 0 HZ3 LYS C 3 -8.307 -14.900 -9.651 1.00 3.55 H new HETATM 803 N DAL C 4 -8.279 -9.963 -9.061 1.00 1.63 N HETATM 804 CA DAL C 4 -6.862 -9.860 -9.791 1.00 1.95 C HETATM 805 CB DAL C 4 -6.715 -8.834 -11.169 1.00 2.37 C HETATM 806 C DAL C 4 -6.417 -11.483 -9.664 1.00 2.54 C HETATM 807 O DAL C 4 -6.544 -12.292 -10.559 1.00 2.89 O HETATM 0 HB3 DAL C 4 -7.403 -9.168 -11.946 1.00 2.37 H new HETATM 0 HB2 DAL C 4 -6.956 -7.809 -10.887 1.00 2.37 H new HETATM 0 HB1 DAL C 4 -5.693 -8.876 -11.546 1.00 2.37 H new HETATM 0 HA DAL C 4 -6.069 -9.224 -9.398 1.00 1.95 H new HETATM 813 N DAL C 5 -5.910 -11.841 -8.430 1.00 3.12 N HETATM 814 CA DAL C 5 -5.335 -13.185 -7.972 1.00 4.20 C HETATM 815 CB DAL C 5 -4.108 -13.224 -8.970 1.00 4.89 C HETATM 816 C DAL C 5 -6.589 -14.215 -8.376 1.00 4.93 C HETATM 817 O DAL C 5 -7.631 -14.042 -7.803 1.00 5.41 O HETATM 818 OXT DAL C 5 -6.485 -15.085 -9.451 1.00 5.04 O HETATM 0 HXT DAL C 5 -6.459 -14.572 -10.286 1.00 5.04 H new HETATM 0 HB3 DAL C 5 -4.473 -13.201 -9.997 1.00 4.89 H new HETATM 0 HB2 DAL C 5 -3.467 -12.360 -8.793 1.00 4.89 H new HETATM 0 HB1 DAL C 5 -3.537 -14.138 -8.809 1.00 4.89 H new HETATM 0 HA DAL C 5 -5.029 -13.392 -6.947 1.00 4.20 H new TER 824 DAL C 5 ATOM 825 N ALA D 1 18.550 -6.833 -5.930 1.00 0.96 N ATOM 826 CA ALA D 1 19.658 -7.767 -6.245 1.00 1.33 C ATOM 827 C ALA D 1 19.225 -9.241 -5.935 1.00 1.47 C ATOM 828 O ALA D 1 18.114 -9.675 -6.233 1.00 2.22 O ATOM 829 CB ALA D 1 20.859 -7.419 -5.427 1.00 1.64 C ATOM 0 H2 ALA D 1 18.367 -6.222 -6.752 1.00 0.96 H new ATOM 0 H3 ALA D 1 17.692 -7.376 -5.704 1.00 0.96 H new ATOM 0 HA ALA D 1 19.901 -7.681 -7.304 1.00 1.33 H new ATOM 0 HB1 ALA D 1 21.671 -8.108 -5.661 1.00 1.64 H new ATOM 0 HB2 ALA D 1 21.171 -6.400 -5.654 1.00 1.64 H new ATOM 0 HB3 ALA D 1 20.613 -7.496 -4.368 1.00 1.64 H new HETATM 835 N DGL D 2 20.317 -10.061 -5.548 1.00 1.40 N HETATM 836 CA DGL D 2 19.931 -11.452 -5.076 1.00 1.77 C HETATM 837 C DGL D 2 18.432 -11.642 -4.582 1.00 2.75 C HETATM 838 O DGL D 2 17.616 -12.374 -5.192 1.00 3.32 O HETATM 839 CB DGL D 2 19.853 -12.365 -6.253 1.00 1.85 C HETATM 840 CG DGL D 2 19.577 -11.696 -7.685 1.00 1.57 C HETATM 841 CD DGL D 2 18.362 -12.356 -8.411 1.00 1.38 C HETATM 842 OE1 DGL D 2 18.477 -12.734 -9.584 1.00 1.94 O HETATM 0 HG3 DGL D 2 19.389 -10.630 -7.558 1.00 1.57 H new HETATM 0 HG2 DGL D 2 20.467 -11.790 -8.307 1.00 1.57 H new HETATM 0 HB3 DGL D 2 20.790 -12.918 -6.314 1.00 1.85 H new HETATM 0 HB2 DGL D 2 19.065 -13.094 -6.063 1.00 1.85 H new HETATM 0 HA DGL D 2 20.667 -11.635 -4.293 1.00 1.77 H new HETATM 0 H2 DGL D 2 21.265 -9.879 -5.876 1.00 1.40 H new ATOM 849 N LYS D 3 17.266 -12.495 -7.718 1.00 1.36 N ATOM 850 CA LYS D 3 16.040 -13.057 -8.251 1.00 1.66 C ATOM 851 C LYS D 3 16.085 -14.620 -8.429 1.00 1.80 C ATOM 852 O LYS D 3 15.605 -15.182 -9.424 1.00 2.55 O ATOM 853 CB LYS D 3 15.541 -12.214 -9.424 1.00 1.94 C ATOM 854 CG LYS D 3 14.235 -11.504 -8.973 1.00 2.15 C ATOM 855 CD LYS D 3 13.059 -12.425 -8.472 1.00 2.64 C ATOM 856 CE LYS D 3 12.680 -13.720 -9.307 1.00 2.86 C ATOM 857 NZ LYS D 3 12.847 -15.229 -8.951 1.00 3.55 N1+ ATOM 0 HA LYS D 3 15.247 -12.979 -7.508 1.00 1.66 H new ATOM 0 HB2 LYS D 3 16.293 -11.481 -9.716 1.00 1.94 H new ATOM 0 HB3 LYS D 3 15.354 -12.843 -10.294 1.00 1.94 H new ATOM 0 HG2 LYS D 3 14.486 -10.809 -8.172 1.00 2.15 H new ATOM 0 HG3 LYS D 3 13.867 -10.908 -9.808 1.00 2.15 H new ATOM 0 HD2 LYS D 3 13.303 -12.747 -7.460 1.00 2.64 H new ATOM 0 HD3 LYS D 3 12.164 -11.806 -8.402 1.00 2.64 H new ATOM 0 HE2 LYS D 3 11.618 -13.606 -9.522 1.00 2.86 H new ATOM 0 HE3 LYS D 3 13.211 -13.601 -10.252 1.00 2.86 H new ATOM 0 HZ1 LYS D 3 12.139 -15.788 -9.468 1.00 3.55 H new ATOM 0 HZ2 LYS D 3 13.801 -15.545 -9.219 1.00 3.55 H new ATOM 0 HZ3 LYS D 3 12.713 -15.361 -7.928 1.00 3.55 H new HETATM 871 N DAL D 4 16.833 -15.170 -7.358 1.00 1.63 N HETATM 872 CA DAL D 4 17.112 -16.699 -6.986 1.00 1.95 C HETATM 873 CB DAL D 4 18.443 -17.503 -7.727 1.00 2.37 C HETATM 874 C DAL D 4 15.506 -17.216 -6.912 1.00 2.54 C HETATM 875 O DAL D 4 14.853 -17.532 -7.887 1.00 2.89 O HETATM 0 HB3 DAL D 4 18.312 -17.503 -8.809 1.00 2.37 H new HETATM 0 HB2 DAL D 4 19.368 -16.985 -7.474 1.00 2.37 H new HETATM 0 HB1 DAL D 4 18.493 -18.531 -7.368 1.00 2.37 H new HETATM 0 HA DAL D 4 17.635 -16.971 -6.069 1.00 1.95 H new HETATM 881 N DAL D 5 14.967 -17.230 -5.632 1.00 3.12 N HETATM 882 CA DAL D 5 13.579 -17.710 -5.189 1.00 4.20 C HETATM 883 CB DAL D 5 13.752 -19.255 -5.492 1.00 4.89 C HETATM 884 C DAL D 5 12.565 -16.901 -6.246 1.00 4.93 C HETATM 885 O DAL D 5 11.681 -17.580 -6.713 1.00 5.41 O HETATM 886 OXT DAL D 5 12.610 -15.539 -6.419 1.00 5.04 O HETATM 0 HXT DAL D 5 11.706 -15.169 -6.341 1.00 5.04 H new HETATM 0 HB3 DAL D 5 13.963 -19.396 -6.552 1.00 4.89 H new HETATM 0 HB2 DAL D 5 14.578 -19.651 -4.901 1.00 4.89 H new HETATM 0 HB1 DAL D 5 12.834 -19.782 -5.231 1.00 4.89 H new HETATM 0 HA DAL D 5 13.208 -17.547 -4.177 1.00 4.20 H new TER 892 DAL D 5 ATOM 893 N ALA G 1 -19.486 2.326 2.410 1.00 0.96 N ATOM 894 CA ALA G 1 -20.834 2.736 2.874 1.00 1.33 C ATOM 895 C ALA G 1 -20.771 4.165 3.515 1.00 1.47 C ATOM 896 O ALA G 1 -19.876 4.969 3.244 1.00 2.22 O ATOM 897 CB ALA G 1 -21.332 1.760 3.891 1.00 1.64 C ATOM 0 H2 ALA G 1 -19.493 2.217 1.376 1.00 0.96 H new ATOM 0 H3 ALA G 1 -18.791 3.053 2.677 1.00 0.96 H new ATOM 0 HA ALA G 1 -21.511 2.755 2.020 1.00 1.33 H new ATOM 0 HB1 ALA G 1 -22.322 2.062 4.231 1.00 1.64 H new ATOM 0 HB2 ALA G 1 -21.389 0.767 3.445 1.00 1.64 H new ATOM 0 HB3 ALA G 1 -20.648 1.738 4.740 1.00 1.64 H new HETATM 903 N DGL G 2 -21.963 4.505 4.208 1.00 1.40 N HETATM 904 CA DGL G 2 -21.893 5.819 4.972 1.00 1.77 C HETATM 905 C DGL G 2 -20.508 6.143 5.691 1.00 2.75 C HETATM 906 O DGL G 2 -19.814 7.149 5.357 1.00 3.32 O HETATM 907 CB DGL G 2 -21.882 6.961 4.007 1.00 1.85 C HETATM 908 CG DGL G 2 -22.892 6.875 2.764 1.00 1.57 C HETATM 909 CD DGL G 2 -22.240 7.395 1.443 1.00 1.38 C HETATM 910 OE1 DGL G 2 -21.631 6.608 0.708 1.00 1.94 O HETATM 0 HG3 DGL G 2 -23.212 5.842 2.628 1.00 1.57 H new HETATM 0 HG2 DGL G 2 -23.786 7.460 2.982 1.00 1.57 H new HETATM 0 HB3 DGL G 2 -22.103 7.874 4.560 1.00 1.85 H new HETATM 0 HB2 DGL G 2 -20.870 7.063 3.615 1.00 1.85 H new HETATM 0 HA DGL G 2 -22.724 5.715 5.669 1.00 1.77 H new HETATM 0 H2 DGL G 2 -22.822 4.240 3.726 1.00 1.40 H new ATOM 917 N LYS G 3 -22.392 8.661 1.166 1.00 1.36 N ATOM 918 CA LYS G 3 -21.823 9.306 0.001 1.00 1.66 C ATOM 919 C LYS G 3 -22.429 8.801 -1.362 1.00 1.80 C ATOM 920 O LYS G 3 -22.047 7.753 -1.903 1.00 2.55 O ATOM 921 CB LYS G 3 -20.301 9.377 0.125 1.00 1.94 C ATOM 922 CG LYS G 3 -19.846 10.753 -0.432 1.00 2.15 C ATOM 923 CD LYS G 3 -18.317 10.909 -0.783 1.00 2.64 C ATOM 924 CE LYS G 3 -17.700 10.050 -1.964 1.00 2.86 C ATOM 925 NZ LYS G 3 -18.320 9.637 -3.336 1.00 3.55 N1+ ATOM 0 HA LYS G 3 -22.139 10.349 -0.028 1.00 1.66 H new ATOM 0 HB2 LYS G 3 -19.996 9.266 1.166 1.00 1.94 H new ATOM 0 HB3 LYS G 3 -19.834 8.565 -0.432 1.00 1.94 H new ATOM 0 HG2 LYS G 3 -20.424 10.963 -1.332 1.00 2.15 H new ATOM 0 HG3 LYS G 3 -20.106 11.518 0.299 1.00 2.15 H new ATOM 0 HD2 LYS G 3 -18.140 11.959 -1.015 1.00 2.64 H new ATOM 0 HD3 LYS G 3 -17.749 10.681 0.119 1.00 2.64 H new ATOM 0 HE2 LYS G 3 -16.777 10.567 -2.225 1.00 2.86 H new ATOM 0 HE3 LYS G 3 -17.416 9.107 -1.497 1.00 2.86 H new ATOM 0 HZ1 LYS G 3 -17.683 9.926 -4.106 1.00 3.55 H new ATOM 0 HZ2 LYS G 3 -18.449 8.605 -3.362 1.00 3.55 H new ATOM 0 HZ3 LYS G 3 -19.242 10.104 -3.455 1.00 3.55 H new HETATM 939 N DAL G 4 -23.489 9.667 -1.729 1.00 1.63 N HETATM 940 CA DAL G 4 -24.381 9.685 -3.054 1.00 1.95 C HETATM 941 CB DAL G 4 -25.673 8.553 -3.197 1.00 2.37 C HETATM 942 C DAL G 4 -23.144 9.980 -4.162 1.00 2.54 C HETATM 943 O DAL G 4 -22.451 9.112 -4.651 1.00 2.89 O HETATM 0 HB3 DAL G 4 -25.276 7.539 -3.145 1.00 2.37 H new HETATM 0 HB2 DAL G 4 -26.383 8.707 -2.384 1.00 2.37 H new HETATM 0 HB1 DAL G 4 -26.178 8.696 -4.152 1.00 2.37 H new HETATM 0 HA DAL G 4 -25.181 10.413 -3.186 1.00 1.95 H new HETATM 949 N DAL G 5 -22.953 11.316 -4.463 1.00 3.12 N HETATM 950 CA DAL G 5 -21.991 11.952 -5.471 1.00 4.20 C HETATM 951 CB DAL G 5 -22.591 11.278 -6.770 1.00 4.89 C HETATM 952 C DAL G 5 -20.533 11.307 -4.965 1.00 4.93 C HETATM 953 O DAL G 5 -20.105 11.439 -3.653 1.00 5.04 O HETATM 954 OXT DAL G 5 -19.809 10.881 -5.825 1.00 5.41 O HETATM 0 HB3 DAL G 5 -22.522 10.194 -6.683 1.00 4.89 H new HETATM 0 HB2 DAL G 5 -23.636 11.567 -6.880 1.00 4.89 H new HETATM 0 HB1 DAL G 5 -22.029 11.608 -7.644 1.00 4.89 H new HETATM 0 HA DAL G 5 -21.872 13.029 -5.593 1.00 4.20 H new TER 960 DAL G 5 ATOM 961 N ALA H 1 14.577 9.220 2.142 1.00 0.96 N ATOM 962 CA ALA H 1 15.987 9.435 2.553 1.00 1.33 C ATOM 963 C ALA H 1 16.871 8.238 2.057 1.00 1.47 C ATOM 964 O ALA H 1 16.560 7.553 1.083 1.00 2.22 O ATOM 965 CB ALA H 1 16.074 9.527 4.046 1.00 1.64 C ATOM 0 H2 ALA H 1 14.232 10.058 1.632 1.00 0.96 H new ATOM 0 H3 ALA H 1 14.520 8.388 1.520 1.00 0.96 H new ATOM 0 HA ALA H 1 16.347 10.364 2.111 1.00 1.33 H new ATOM 0 HB1 ALA H 1 17.111 9.685 4.341 1.00 1.64 H new ATOM 0 HB2 ALA H 1 15.466 10.362 4.395 1.00 1.64 H new ATOM 0 HB3 ALA H 1 15.707 8.601 4.490 1.00 1.64 H new HETATM 971 N DGL H 2 18.154 8.210 2.666 1.00 1.40 N HETATM 972 CA DGL H 2 18.977 6.977 2.337 1.00 1.77 C HETATM 973 C DGL H 2 18.174 5.705 1.826 1.00 2.75 C HETATM 974 O DGL H 2 17.353 5.142 2.680 1.00 3.37 O HETATM 975 CB DGL H 2 19.758 7.223 1.091 1.00 1.85 C HETATM 976 CG DGL H 2 19.223 8.373 0.111 1.00 1.57 C HETATM 977 CD DGL H 2 19.018 7.849 -1.346 1.00 1.38 C HETATM 978 OE1 DGL H 2 19.626 8.384 -2.282 1.00 1.94 O HETATM 0 HG3 DGL H 2 18.280 8.765 0.492 1.00 1.57 H new HETATM 0 HG2 DGL H 2 19.932 9.201 0.102 1.00 1.57 H new HETATM 0 HB3 DGL H 2 20.781 7.470 1.376 1.00 1.85 H new HETATM 0 HB2 DGL H 2 19.800 6.291 0.528 1.00 1.85 H new HETATM 0 HA DGL H 2 19.500 6.801 3.277 1.00 1.77 H new HETATM 0 H2 DGL H 2 18.615 9.057 2.999 1.00 1.40 H new ATOM 985 N LYS H 3 18.211 6.836 -1.503 1.00 1.36 N ATOM 986 CA LYS H 3 17.889 6.253 -2.791 1.00 1.66 C ATOM 987 C LYS H 3 19.021 5.322 -3.367 1.00 1.80 C ATOM 988 O LYS H 3 19.587 5.563 -4.442 1.00 2.55 O ATOM 989 CB LYS H 3 17.293 7.313 -3.717 1.00 1.94 C ATOM 990 CG LYS H 3 16.190 6.629 -4.570 1.00 2.15 C ATOM 991 CD LYS H 3 16.366 6.675 -6.136 1.00 2.64 C ATOM 992 CE LYS H 3 17.587 5.910 -6.800 1.00 2.86 C ATOM 993 NZ LYS H 3 18.120 4.463 -6.556 1.00 3.55 N1+ ATOM 0 HA LYS H 3 17.090 5.522 -2.670 1.00 1.66 H new ATOM 0 HB2 LYS H 3 16.873 8.135 -3.137 1.00 1.94 H new ATOM 0 HB3 LYS H 3 18.065 7.737 -4.359 1.00 1.94 H new ATOM 0 HG2 LYS H 3 16.126 5.584 -4.267 1.00 2.15 H new ATOM 0 HG3 LYS H 3 15.235 7.092 -4.323 1.00 2.15 H new ATOM 0 HD2 LYS H 3 15.452 6.282 -6.581 1.00 2.64 H new ATOM 0 HD3 LYS H 3 16.438 7.723 -6.428 1.00 2.64 H new ATOM 0 HE2 LYS H 3 17.385 5.950 -7.870 1.00 2.86 H new ATOM 0 HE3 LYS H 3 18.447 6.553 -6.613 1.00 2.86 H new ATOM 0 HZ1 LYS H 3 19.157 4.484 -6.475 1.00 3.55 H new ATOM 0 HZ2 LYS H 3 17.712 4.086 -5.677 1.00 3.55 H new ATOM 0 HZ3 LYS H 3 17.847 3.854 -7.353 1.00 3.55 H new HETATM 1007 N DAL H 4 19.301 4.314 -2.411 1.00 1.63 N HETATM 1008 CA DAL H 4 20.281 3.057 -2.509 1.00 1.95 C HETATM 1009 CB DAL H 4 21.944 3.271 -2.110 1.00 2.37 C HETATM 1010 C DAL H 4 19.639 2.372 -3.912 1.00 2.54 C HETATM 1011 O DAL H 4 19.999 2.662 -5.033 1.00 2.89 O HETATM 0 HB3 DAL H 4 22.384 4.016 -2.772 1.00 2.37 H new HETATM 0 HB2 DAL H 4 22.030 3.608 -1.077 1.00 2.37 H new HETATM 0 HB1 DAL H 4 22.471 2.324 -2.228 1.00 2.37 H new HETATM 0 HA DAL H 4 20.324 2.311 -1.715 1.00 1.95 H new HETATM 1017 N DAL H 5 18.633 1.452 -3.689 1.00 3.12 N HETATM 1018 CA DAL H 5 17.878 0.580 -4.697 1.00 4.20 C HETATM 1019 CB DAL H 5 19.129 -0.218 -5.244 1.00 4.89 C HETATM 1020 C DAL H 5 17.291 1.746 -5.744 1.00 4.93 C HETATM 1021 O DAL H 5 16.700 2.666 -5.242 1.00 5.41 O HETATM 1022 OXT DAL H 5 17.637 1.748 -7.086 1.00 5.04 O HETATM 0 HXT DAL H 5 16.852 1.979 -7.626 1.00 5.04 H new HETATM 0 HB3 DAL H 5 19.844 0.480 -5.678 1.00 4.89 H new HETATM 0 HB2 DAL H 5 19.602 -0.759 -4.425 1.00 4.89 H new HETATM 0 HB1 DAL H 5 18.804 -0.926 -6.007 1.00 4.89 H new HETATM 0 HA DAL H 5 17.061 -0.087 -4.422 1.00 4.20 H new TER 1028 DAL H 5 HETATM 1029 P 2PO A 101 -12.281 -5.176 -0.129 1.00 0.92 P HETATM 1030 O1P 2PO A 101 -11.261 -6.205 -0.381 1.00 1.05 O1- HETATM 1031 O2P 2PO A 101 -12.339 -4.010 -1.051 1.00 1.19 O HETATM 1032 O3P 2PO A 101 -12.097 -4.618 1.358 1.00 1.06 O HETATM 1033 P 2PO A 102 -11.061 -5.257 2.402 1.00 0.99 P HETATM 1034 O1P 2PO A 102 -9.813 -5.487 1.664 1.00 1.29 O1- HETATM 1035 O2P 2PO A 102 -10.998 -4.430 3.645 1.00 1.40 O HETATM 1036 O3P 2PO A 102 -11.699 -6.667 2.792 1.00 1.15 O HETATM 1037 C1 P1W A 103 -10.851 -7.815 2.941 1.00 1.01 C HETATM 1038 C2 P1W A 103 -10.354 -8.298 1.588 1.00 0.95 C HETATM 1039 C3 P1W A 103 -9.333 -9.162 1.368 1.00 1.17 C HETATM 1040 C4 P1W A 103 -8.968 -9.538 -0.047 1.00 1.61 C HETATM 1041 C5 P1W A 103 -8.485 -9.864 2.460 1.00 1.31 C HETATM 1050 C1 P1W A 104 -9.953 -10.548 -0.625 1.00 1.15 C HETATM 1051 C2 P1W A 104 -9.229 -11.537 -1.502 1.00 1.38 C HETATM 1052 C3 P1W A 104 -9.096 -12.836 -1.198 1.00 1.66 C HETATM 1053 C4 P1W A 104 -8.356 -13.827 -2.070 1.00 1.93 C HETATM 1054 C5 P1W A 104 -9.741 -13.476 0.037 1.00 2.53 C HETATM 1063 C1 P1W A 105 6.344 -8.630 -7.618 1.00 1.15 C HETATM 1064 C2 P1W A 105 5.449 -7.439 -7.479 1.00 1.38 C HETATM 1065 C3 P1W A 105 4.942 -6.771 -8.524 1.00 1.66 C HETATM 1066 C4 P1W A 105 4.065 -5.556 -8.365 1.00 1.93 C HETATM 1067 C5 P1W A 105 5.196 -7.178 -9.981 1.00 2.53 C HETATM 1076 C1 P1W A 106 -6.844 -13.708 -1.879 1.00 2.50 C HETATM 1077 C2 P1W A 106 -6.147 -14.939 -2.377 1.00 3.14 C HETATM 1078 C3 P1W A 106 -5.495 -15.825 -1.606 1.00 3.84 C HETATM 1079 C4 P1W A 106 -4.811 -17.074 -2.180 1.00 4.24 C HETATM 1080 C5 P1W A 106 -5.364 -15.682 -0.090 1.00 4.81 C HETATM 1090 C1 P1W A 107 2.610 -5.921 -8.677 1.00 2.50 C HETATM 1091 C2 P1W A 107 1.692 -4.834 -8.186 1.00 3.14 C HETATM 1092 C3 P1W A 107 1.253 -3.802 -8.930 1.00 3.84 C HETATM 1093 C4 P1W A 107 0.322 -2.716 -8.372 1.00 4.24 C HETATM 1094 C5 P1W A 107 1.623 -3.610 -10.398 1.00 4.81 C HETATM 1104 P 2PO B 101 12.340 -6.778 -3.351 1.00 0.92 P HETATM 1105 O1P 2PO B 101 12.772 -8.110 -2.900 1.00 1.05 O1- HETATM 1106 O2P 2PO B 101 12.848 -5.606 -2.592 1.00 1.19 O HETATM 1107 O3P 2PO B 101 10.739 -6.755 -3.290 1.00 1.06 O HETATM 1108 P 2PO B 102 9.938 -7.288 -2.017 1.00 0.99 P HETATM 1109 O1P 2PO B 102 10.909 -7.318 -0.908 1.00 1.29 O1- HETATM 1110 O2P 2PO B 102 8.702 -6.479 -1.850 1.00 1.40 O HETATM 1111 O3P 2PO B 102 9.531 -8.788 -2.445 1.00 1.15 O HETATM 1112 C1 P1W B 103 8.270 -9.113 -3.061 1.00 1.01 C HETATM 1113 C2 P1W B 103 8.153 -8.474 -4.435 1.00 0.95 C HETATM 1114 C3 P1W B 103 7.761 -9.114 -5.558 1.00 1.17 C HETATM 1115 C4 P1W B 103 7.664 -8.391 -6.893 1.00 1.61 C HETATM 1116 C5 P1W B 103 7.368 -10.598 -5.592 1.00 1.31 C HETATM 1125 P 2PO E 101 -12.751 3.470 2.278 1.00 0.92 P HETATM 1126 O1P 2PO E 101 -13.342 3.926 3.540 1.00 1.05 O1- HETATM 1127 O2P 2PO E 101 -12.426 2.018 2.112 1.00 1.19 O HETATM 1128 O3P 2PO E 101 -11.404 4.264 2.017 1.00 1.06 O HETATM 1129 P 2PO E 102 -11.569 5.736 1.489 1.00 0.99 P HETATM 1130 O1P 2PO E 102 -12.056 6.624 2.580 1.00 1.29 O1- HETATM 1131 O2P 2PO E 102 -10.312 6.102 0.790 1.00 1.40 O HETATM 1132 O3P 2PO E 102 -12.702 5.521 0.385 1.00 1.15 O HETATM 1133 C1 P1W E 103 -12.710 6.275 -0.813 1.00 1.01 C HETATM 1134 C2 P1W E 103 -11.597 5.778 -1.680 1.00 0.95 C HETATM 1135 C3 P1W E 103 -10.827 6.501 -2.479 1.00 1.17 C HETATM 1136 C4 P1W E 103 -9.763 5.796 -3.249 1.00 1.61 C HETATM 1137 C5 P1W E 103 -10.926 8.026 -2.697 1.00 1.31 C HETATM 1146 P 2PO F 101 11.234 4.305 -0.868 1.00 0.92 P HETATM 1147 O1P 2PO F 101 12.588 4.111 -0.328 1.00 1.05 O1- HETATM 1148 O2P 2PO F 101 10.075 3.892 -0.029 1.00 1.19 O HETATM 1149 O3P 2PO F 101 11.134 3.506 -2.240 1.00 1.06 O HETATM 1150 P 2PO F 102 9.830 3.557 -3.142 1.00 0.99 P HETATM 1151 O1P 2PO F 102 9.090 2.295 -2.909 1.00 1.29 O1- HETATM 1152 O2P 2PO F 102 9.103 4.837 -2.924 1.00 1.40 O HETATM 1153 O3P 2PO F 102 10.467 3.573 -4.610 1.00 1.15 O HETATM 1154 C1 P1W F 103 10.358 2.466 -5.487 1.00 1.01 C HETATM 1155 C2 P1W F 103 9.056 2.553 -6.259 1.00 0.95 C HETATM 1156 C3 P1W F 103 8.594 1.670 -7.184 1.00 1.17 C HETATM 1157 C4 P1W F 103 7.254 1.856 -7.875 1.00 1.61 C HETATM 1158 C5 P1W F 103 9.382 0.416 -7.598 1.00 1.31 C HETATM 1167 C1 P1W F 104 -9.805 6.179 -4.728 1.00 1.15 C HETATM 1168 C2 P1W F 104 -11.205 6.034 -5.286 1.00 1.38 C HETATM 1169 C3 P1W F 104 -11.503 6.084 -6.599 1.00 1.66 C HETATM 1170 C4 P1W F 104 -12.915 5.953 -7.135 1.00 1.93 C HETATM 1171 C5 P1W F 104 -10.454 6.268 -7.695 1.00 2.53 C HETATM 1180 C1 P1W F 105 7.385 2.510 -9.261 1.00 1.15 C HETATM 1181 C2 P1W F 105 6.066 2.507 -9.965 1.00 1.38 C HETATM 1182 C3 P1W F 105 5.833 1.858 -11.107 1.00 1.66 C HETATM 1183 C4 P1W F 105 4.488 1.913 -11.786 1.00 1.93 C HETATM 1184 C5 P1W F 105 6.870 1.000 -11.841 1.00 2.53 C HETATM 1193 C1 P1W F 106 -13.781 7.135 -6.699 1.00 2.50 C HETATM 1194 C2 P1W F 106 -13.306 8.409 -7.342 1.00 3.14 C HETATM 1195 C3 P1W F 106 -13.021 9.551 -6.688 1.00 3.84 C HETATM 1196 C4 P1W F 106 -12.528 10.822 -7.404 1.00 4.24 C HETATM 1197 C5 P1W F 106 -13.161 9.704 -5.172 1.00 4.81 C HETATM 1207 C1 P1W F 107 3.658 0.682 -11.396 1.00 2.50 C HETATM 1208 C2 P1W F 107 2.337 0.661 -12.114 1.00 3.14 C HETATM 1209 C3 P1W F 107 2.022 -0.166 -13.123 1.00 3.84 C HETATM 1210 C4 P1W F 107 0.643 -0.168 -13.808 1.00 4.24 C HETATM 1211 C5 P1W F 107 3.005 -1.178 -13.698 1.00 4.81 C HETATM 1221 C1 MUB C 101 -14.300 -6.360 -1.274 1.00 0.78 C HETATM 1222 C2 MUB C 101 -15.783 -6.117 -1.285 1.00 0.77 C HETATM 1223 C3 MUB C 101 -16.471 -7.312 -2.004 1.00 0.81 C HETATM 1224 C4 MUB C 101 -15.674 -8.014 -3.142 1.00 0.87 C HETATM 1225 C5 MUB C 101 -14.221 -8.244 -2.765 1.00 1.10 C HETATM 1226 C6 MUB C 101 -13.298 -7.481 -3.695 1.00 1.28 C HETATM 1227 C7 MUB C 101 -16.913 -6.967 0.666 1.00 1.81 C HETATM 1228 C8 MUB C 101 -17.522 -6.779 2.014 1.00 2.83 C HETATM 1229 C9 MUB C 101 -17.733 -5.818 -3.396 1.00 0.89 C HETATM 1230 C10 MUB C 101 -17.511 -6.060 -4.905 1.00 1.09 C HETATM 1231 C11 MUB C 101 -18.112 -4.403 -2.852 1.00 1.18 C HETATM 1232 O1 MUB C 101 -13.721 -5.889 -0.084 1.00 0.93 O HETATM 1233 O3 MUB C 101 -17.762 -6.958 -2.502 1.00 0.86 O HETATM 1234 O4 MUB C 101 -16.351 -9.274 -3.501 1.00 1.10 O HETATM 1235 O5 MUB C 101 -13.970 -7.760 -1.398 1.00 1.05 O HETATM 1236 O6 MUB C 101 -13.688 -6.125 -3.797 1.00 1.13 O HETATM 1237 O7 MUB C 101 -16.745 -8.119 0.249 1.00 2.24 O HETATM 1238 O10 MUB C 101 -18.475 -6.178 -5.630 1.00 1.68 O HETATM 1239 N2 MUB C 101 -16.366 -5.939 0.040 1.00 1.07 N HETATM 0 H113 MUB C 101 -17.326 -3.692 -3.108 1.00 1.18 H new HETATM 0 H112 MUB C 101 -19.052 -4.081 -3.300 1.00 1.18 H new HETATM 0 H111 MUB C 101 -18.222 -4.447 -1.769 1.00 1.18 H new HETATM 0 HO6 MUB C 101 -13.213 -5.703 -4.543 1.00 1.13 H new HETATM 0 HN2 MUB C 101 -16.352 -5.021 0.484 1.00 1.07 H new HETATM 0 H9 MUB C 101 -16.699 -5.488 -3.291 1.00 0.89 H new HETATM 0 H83 MUB C 101 -18.515 -7.228 2.030 1.00 2.83 H new HETATM 0 H82 MUB C 101 -16.895 -7.258 2.766 1.00 2.83 H new HETATM 0 H81 MUB C 101 -17.601 -5.714 2.232 1.00 2.83 H new HETATM 0 H62 MUB C 101 -12.274 -7.542 -3.327 1.00 1.28 H new HETATM 0 H61 MUB C 101 -13.309 -7.942 -4.683 1.00 1.28 H new HETATM 0 H5 MUB C 101 -14.028 -9.314 -2.838 1.00 1.10 H new HETATM 0 H4A MUB C 101 -15.657 -7.358 -4.012 1.00 0.87 H new HETATM 0 H3 MUB C 101 -16.537 -8.047 -1.202 1.00 0.81 H new HETATM 0 H2 MUB C 101 -15.951 -5.178 -1.812 1.00 0.77 H new HETATM 0 H1 MUB C 101 -13.905 -5.820 -2.135 1.00 0.78 H new HETATM 1256 C1 NAG C 102 -15.578 -10.442 -3.300 1.00 0.84 C HETATM 1257 C2 NAG C 102 -14.480 -10.562 -4.383 1.00 0.94 C HETATM 1258 C3 NAG C 102 -13.738 -11.835 -4.162 1.00 1.41 C HETATM 1259 C4 NAG C 102 -13.238 -11.914 -2.706 1.00 2.01 C HETATM 1260 C5 NAG C 102 -14.392 -11.746 -1.708 1.00 2.01 C HETATM 1261 C6 NAG C 102 -13.913 -11.745 -0.264 1.00 2.85 C HETATM 1262 C7 NAG C 102 -15.971 -11.430 -6.117 1.00 1.57 C HETATM 1263 C8 NAG C 102 -16.540 -11.310 -7.523 1.00 2.06 C HETATM 1264 N2 NAG C 102 -15.078 -10.516 -5.729 1.00 1.16 N HETATM 1265 O3 NAG C 102 -12.629 -11.886 -5.047 1.00 1.60 O HETATM 1266 O4 NAG C 102 -12.614 -13.175 -2.490 1.00 2.71 O HETATM 1267 O5 NAG C 102 -15.068 -10.515 -1.967 1.00 1.51 O HETATM 1268 O6 NAG C 102 -13.324 -10.499 0.097 1.00 3.23 O HETATM 1269 O7 NAG C 102 -16.256 -12.409 -5.438 1.00 2.31 O HETATM 0 HO6 NAG C 102 -13.698 -9.786 -0.462 1.00 3.23 H new HETATM 0 HO4 NAG C 102 -11.912 -13.081 -1.813 1.00 2.71 H new HETATM 0 HO3 NAG C 102 -11.798 -11.786 -4.537 1.00 1.60 H new HETATM 0 HN2 NAG C 102 -14.806 -9.775 -6.374 1.00 1.16 H new HETATM 0 H83 NAG C 102 -17.047 -10.351 -7.630 1.00 2.06 H new HETATM 0 H82 NAG C 102 -15.730 -11.375 -8.250 1.00 2.06 H new HETATM 0 H81 NAG C 102 -17.250 -12.118 -7.698 1.00 2.06 H new HETATM 0 H62 NAG C 102 -14.753 -11.955 0.398 1.00 2.85 H new HETATM 0 H61 NAG C 102 -13.187 -12.545 -0.121 1.00 2.85 H new HETATM 0 H5 NAG C 102 -15.061 -12.596 -1.841 1.00 2.01 H new HETATM 0 H4 NAG C 102 -12.526 -11.104 -2.547 1.00 2.01 H new HETATM 0 H3 NAG C 102 -14.404 -12.677 -4.352 1.00 1.41 H new HETATM 0 H2 NAG C 102 -13.786 -9.724 -4.310 1.00 0.94 H new HETATM 1284 C1 MUB D 101 13.961 -6.865 -5.406 1.00 0.78 C HETATM 1285 C2 MUB D 101 14.813 -5.637 -5.308 1.00 0.77 C HETATM 1286 C3 MUB D 101 15.487 -5.367 -6.680 1.00 0.81 C HETATM 1287 C4 MUB D 101 16.127 -6.622 -7.313 1.00 0.87 C HETATM 1288 C5 MUB D 101 15.158 -7.790 -7.273 1.00 1.10 C HETATM 1289 C6 MUB D 101 15.665 -8.897 -6.373 1.00 1.28 C HETATM 1290 C7 MUB D 101 13.415 -3.726 -5.761 1.00 1.81 C HETATM 1291 C8 MUB D 101 12.680 -2.522 -5.291 1.00 2.83 C HETATM 1292 C9 MUB D 101 17.490 -4.594 -5.606 1.00 0.89 C HETATM 1293 C10 MUB D 101 18.691 -5.468 -6.026 1.00 1.09 C HETATM 1294 C11 MUB D 101 17.490 -3.822 -4.247 1.00 1.18 C HETATM 1295 O1 MUB D 101 12.671 -6.589 -4.930 1.00 0.93 O HETATM 1296 O3 MUB D 101 16.454 -4.323 -6.584 1.00 0.86 O HETATM 1297 O4 MUB D 101 16.549 -6.321 -8.695 1.00 1.10 O HETATM 1298 O5 MUB D 101 13.849 -7.348 -6.759 1.00 1.05 O HETATM 1299 O6 MUB D 101 16.024 -8.388 -5.105 1.00 1.13 O HETATM 1300 O7 MUB D 101 13.267 -4.103 -6.927 1.00 2.24 O HETATM 1301 O10 MUB D 101 19.654 -4.936 -6.534 1.00 1.68 O HETATM 1302 N2 MUB D 101 14.080 -4.455 -4.883 1.00 1.07 N HETATM 0 H113 MUB D 101 17.585 -4.532 -3.425 1.00 1.18 H new HETATM 0 H112 MUB D 101 18.329 -3.126 -4.224 1.00 1.18 H new HETATM 0 H111 MUB D 101 16.557 -3.269 -4.143 1.00 1.18 H new HETATM 0 HO6 MUB D 101 16.493 -9.081 -4.595 1.00 1.13 H new HETATM 0 HN2 MUB D 101 14.079 -4.187 -3.899 1.00 1.07 H new HETATM 0 H9 MUB D 101 17.033 -5.416 -5.054 1.00 0.89 H new HETATM 0 H83 MUB D 101 12.969 -1.661 -5.894 1.00 2.83 H new HETATM 0 H82 MUB D 101 11.607 -2.689 -5.388 1.00 2.83 H new HETATM 0 H81 MUB D 101 12.924 -2.332 -4.246 1.00 2.83 H new HETATM 0 H62 MUB D 101 14.895 -9.660 -6.259 1.00 1.28 H new HETATM 0 H61 MUB D 101 16.527 -9.380 -6.833 1.00 1.28 H new HETATM 0 H5 MUB D 101 15.063 -8.166 -8.292 1.00 1.10 H new HETATM 0 H4A MUB D 101 17.008 -6.906 -6.738 1.00 0.87 H new HETATM 0 H3 MUB D 101 14.680 -5.055 -7.343 1.00 0.81 H new HETATM 0 H2 MUB D 101 15.560 -5.832 -4.539 1.00 0.77 H new HETATM 0 H1 MUB D 101 14.445 -7.634 -4.803 1.00 0.78 H new HETATM 1319 C1 NAG D 102 15.591 -6.639 -9.684 1.00 0.84 C HETATM 1320 C2 NAG D 102 15.819 -8.075 -10.198 1.00 0.94 C HETATM 1321 C3 NAG D 102 14.823 -8.377 -11.258 1.00 1.41 C HETATM 1322 C4 NAG D 102 13.398 -8.093 -10.739 1.00 2.01 C HETATM 1323 C5 NAG D 102 13.272 -6.662 -10.197 1.00 2.01 C HETATM 1324 C6 NAG D 102 11.899 -6.380 -9.608 1.00 2.85 C HETATM 1325 C7 NAG D 102 17.643 -7.496 -11.721 1.00 1.57 C HETATM 1326 C8 NAG D 102 19.081 -7.709 -12.169 1.00 2.06 C HETATM 1327 N2 NAG D 102 17.206 -8.221 -10.697 1.00 1.16 N HETATM 1328 O3 NAG D 102 14.931 -9.743 -11.618 1.00 1.60 O HETATM 1329 O4 NAG D 102 12.468 -8.271 -11.803 1.00 2.71 O HETATM 1330 O5 NAG D 102 14.260 -6.447 -9.193 1.00 1.51 O HETATM 1331 O6 NAG D 102 11.621 -7.216 -8.491 1.00 3.23 O HETATM 1332 O7 NAG D 102 16.916 -6.761 -12.377 1.00 2.31 O HETATM 0 HO6 NAG D 102 12.411 -7.263 -7.913 1.00 3.23 H new HETATM 0 HO4 NAG D 102 11.571 -8.411 -11.434 1.00 2.71 H new HETATM 0 HO3 NAG D 102 14.275 -9.950 -12.316 1.00 1.60 H new HETATM 0 HN2 NAG D 102 17.834 -8.887 -10.248 1.00 1.16 H new HETATM 0 H83 NAG D 102 19.757 -7.480 -11.345 1.00 2.06 H new HETATM 0 H82 NAG D 102 19.218 -8.747 -12.472 1.00 2.06 H new HETATM 0 H81 NAG D 102 19.301 -7.053 -13.011 1.00 2.06 H new HETATM 0 H62 NAG D 102 11.842 -5.335 -9.303 1.00 2.85 H new HETATM 0 H61 NAG D 102 11.137 -6.531 -10.373 1.00 2.85 H new HETATM 0 H5 NAG D 102 13.417 -5.984 -11.038 1.00 2.01 H new HETATM 0 H4 NAG D 102 13.188 -8.787 -9.925 1.00 2.01 H new HETATM 0 H3 NAG D 102 15.016 -7.747 -12.127 1.00 1.41 H new HETATM 0 H2 NAG D 102 15.685 -8.788 -9.385 1.00 0.94 H new HETATM 1347 C1 MUB G 101 -15.091 3.867 1.060 1.00 0.78 C HETATM 1348 C2 MUB G 101 -15.504 2.427 1.012 1.00 0.77 C HETATM 1349 C3 MUB G 101 -16.701 2.277 0.024 1.00 0.81 C HETATM 1350 C4 MUB G 101 -17.717 3.404 0.150 1.00 0.87 C HETATM 1351 C5 MUB G 101 -17.071 4.763 -0.018 1.00 1.10 C HETATM 1352 C6 MUB G 101 -17.416 5.664 1.150 1.00 1.28 C HETATM 1353 C7 MUB G 101 -14.248 1.221 -0.654 1.00 1.81 C HETATM 1354 C8 MUB G 101 -13.116 0.333 -1.054 1.00 2.83 C HETATM 1355 C9 MUB G 101 -17.776 0.739 1.506 1.00 0.89 C HETATM 1356 C10 MUB G 101 -19.234 1.078 1.886 1.00 1.09 C HETATM 1357 C11 MUB G 101 -16.853 -0.058 2.483 1.00 1.18 C HETATM 1358 O1 MUB G 101 -13.680 3.957 1.023 1.00 0.93 O HETATM 1359 O3 MUB G 101 -17.328 1.003 0.154 1.00 0.86 O HETATM 1360 O4 MUB G 101 -18.804 3.188 -0.829 1.00 1.10 O HETATM 1361 O5 MUB G 101 -15.600 4.623 -0.068 1.00 1.05 O HETATM 1362 O6 MUB G 101 -17.233 4.989 2.379 1.00 1.13 O HETATM 1363 O7 MUB G 101 -15.013 1.644 -1.524 1.00 2.24 O HETATM 1364 O10 MUB G 101 -20.108 0.279 1.627 1.00 1.68 O HETATM 1365 N2 MUB G 101 -14.417 1.542 0.621 1.00 1.07 N HETATM 0 H113 MUB G 101 -16.749 0.494 3.417 1.00 1.18 H new HETATM 0 H112 MUB G 101 -17.294 -1.034 2.686 1.00 1.18 H new HETATM 0 H111 MUB G 101 -15.871 -0.191 2.029 1.00 1.18 H new HETATM 0 HO6 MUB G 101 -18.092 4.923 2.847 1.00 1.13 H new HETATM 0 HN2 MUB G 101 -13.785 1.168 1.329 1.00 1.07 H new HETATM 0 H9 MUB G 101 -17.413 1.631 2.017 1.00 0.89 H new HETATM 0 H83 MUB G 101 -13.509 -0.565 -1.532 1.00 2.83 H new HETATM 0 H82 MUB G 101 -12.468 0.862 -1.753 1.00 2.83 H new HETATM 0 H81 MUB G 101 -12.543 0.053 -0.170 1.00 2.83 H new HETATM 0 H62 MUB G 101 -16.790 6.556 1.124 1.00 1.28 H new HETATM 0 H61 MUB G 101 -18.450 5.998 1.064 1.00 1.28 H new HETATM 0 H5 MUB G 101 -17.443 5.198 -0.946 1.00 1.10 H new HETATM 0 H4A MUB G 101 -18.138 3.391 1.155 1.00 0.87 H new HETATM 0 H3 MUB G 101 -16.280 2.348 -0.979 1.00 0.81 H new HETATM 0 H2 MUB G 101 -15.799 2.130 2.019 1.00 0.77 H new HETATM 0 H1 MUB G 101 -15.500 4.281 1.982 1.00 0.78 H new HETATM 1382 C1 NAG G 102 -18.662 3.907 -2.040 1.00 0.84 C HETATM 1383 C2 NAG G 102 -19.364 5.278 -1.920 1.00 0.94 C HETATM 1384 C3 NAG G 102 -19.193 6.040 -3.191 1.00 1.41 C HETATM 1385 C4 NAG G 102 -17.702 6.073 -3.599 1.00 2.01 C HETATM 1386 C5 NAG G 102 -17.096 4.665 -3.653 1.00 2.01 C HETATM 1387 C6 NAG G 102 -15.612 4.688 -3.970 1.00 2.85 C HETATM 1388 C7 NAG G 102 -21.576 4.304 -2.342 1.00 1.57 C HETATM 1389 C8 NAG G 102 -23.039 4.165 -1.935 1.00 2.06 C HETATM 1390 N2 NAG G 102 -20.793 5.089 -1.594 1.00 1.16 N HETATM 1391 O3 NAG G 102 -19.660 7.365 -3.002 1.00 1.60 O HETATM 1392 O4 NAG G 102 -17.576 6.678 -4.881 1.00 2.71 O HETATM 1393 O5 NAG G 102 -17.284 4.018 -2.399 1.00 1.51 O HETATM 1394 O6 NAG G 102 -14.838 5.024 -2.825 1.00 3.23 O HETATM 1395 O7 NAG G 102 -21.202 3.810 -3.399 1.00 2.31 O HETATM 0 HO6 NAG G 102 -15.311 4.740 -2.015 1.00 3.23 H new HETATM 0 HO4 NAG G 102 -16.709 7.131 -4.945 1.00 2.71 H new HETATM 0 HO3 NAG G 102 -20.432 7.357 -2.399 1.00 1.60 H new HETATM 0 HN2 NAG G 102 -21.189 5.566 -0.784 1.00 1.16 H new HETATM 0 H83 NAG G 102 -23.099 3.751 -0.928 1.00 2.06 H new HETATM 0 H82 NAG G 102 -23.516 5.145 -1.954 1.00 2.06 H new HETATM 0 H81 NAG G 102 -23.549 3.500 -2.632 1.00 2.06 H new HETATM 0 H62 NAG G 102 -15.304 3.712 -4.345 1.00 2.85 H new HETATM 0 H61 NAG G 102 -15.420 5.409 -4.764 1.00 2.85 H new HETATM 0 H5 NAG G 102 -17.605 4.125 -4.451 1.00 2.01 H new HETATM 0 H4 NAG G 102 -17.164 6.649 -2.846 1.00 2.01 H new HETATM 0 H3 NAG G 102 -19.763 5.552 -3.982 1.00 1.41 H new HETATM 0 H2 NAG G 102 -18.911 5.853 -1.112 1.00 0.94 H new HETATM 1410 C1 MUB H 101 11.974 6.830 -0.881 1.00 0.78 C HETATM 1411 C2 MUB H 101 11.304 7.813 0.040 1.00 0.77 C HETATM 1412 C3 MUB H 101 11.861 9.229 -0.266 1.00 0.81 C HETATM 1413 C4 MUB H 101 13.356 9.221 -0.610 1.00 0.87 C HETATM 1414 C5 MUB H 101 13.672 8.301 -1.764 1.00 1.10 C HETATM 1415 C6 MUB H 101 14.822 7.386 -1.399 1.00 1.28 C HETATM 1416 C7 MUB H 101 9.244 8.611 -0.929 1.00 1.81 C HETATM 1417 C8 MUB H 101 7.754 8.607 -1.020 1.00 2.83 C HETATM 1418 C9 MUB H 101 12.117 9.687 2.083 1.00 0.89 C HETATM 1419 C10 MUB H 101 13.557 10.070 2.505 1.00 1.09 C HETATM 1420 C11 MUB H 101 11.142 9.024 3.106 1.00 1.18 C HETATM 1421 O1 MUB H 101 11.051 5.855 -1.304 1.00 0.93 O HETATM 1422 O3 MUB H 101 11.607 10.142 0.802 1.00 0.86 O HETATM 1423 O4 MUB H 101 13.802 10.604 -0.874 1.00 1.10 O HETATM 1424 O5 MUB H 101 12.504 7.459 -2.070 1.00 1.05 O HETATM 1425 O6 MUB H 101 14.552 6.696 -0.195 1.00 1.13 O HETATM 1426 O7 MUB H 101 9.892 9.248 -1.766 1.00 2.24 O HETATM 1427 O10 MUB H 101 13.739 11.113 3.096 1.00 1.68 O HETATM 1428 N2 MUB H 101 9.852 7.816 -0.061 1.00 1.07 N HETATM 0 H113 MUB H 101 11.567 8.084 3.457 1.00 1.18 H new HETATM 0 H112 MUB H 101 10.993 9.693 3.953 1.00 1.18 H new HETATM 0 H111 MUB H 101 10.184 8.831 2.623 1.00 1.18 H new HETATM 0 HO6 MUB H 101 15.372 6.634 0.338 1.00 1.13 H new HETATM 0 HN2 MUB H 101 9.300 7.203 0.539 1.00 1.07 H new HETATM 0 H9 MUB H 101 12.450 8.703 1.753 1.00 0.89 H new HETATM 0 H83 MUB H 101 7.382 9.628 -0.935 1.00 2.83 H new HETATM 0 H82 MUB H 101 7.449 8.188 -1.979 1.00 2.83 H new HETATM 0 H81 MUB H 101 7.342 8.002 -0.212 1.00 2.83 H new HETATM 0 H62 MUB H 101 14.992 6.670 -2.203 1.00 1.28 H new HETATM 0 H61 MUB H 101 15.737 7.969 -1.292 1.00 1.28 H new HETATM 0 H5 MUB H 101 13.935 8.914 -2.626 1.00 1.10 H new HETATM 0 H4A MUB H 101 13.906 8.827 0.244 1.00 0.87 H new HETATM 0 H3 MUB H 101 11.324 9.570 -1.151 1.00 0.81 H new HETATM 0 H2 MUB H 101 11.529 7.509 1.062 1.00 0.77 H new HETATM 0 H1 MUB H 101 12.792 6.389 -0.312 1.00 0.78 H new HETATM 1445 C1 NAG H 102 13.833 10.964 -2.243 1.00 0.84 C HETATM 1446 C2 NAG H 102 15.210 10.626 -2.841 1.00 0.94 C HETATM 1447 C3 NAG H 102 15.233 11.007 -4.285 1.00 1.41 C HETATM 1448 C4 NAG H 102 14.024 10.392 -5.018 1.00 2.01 C HETATM 1449 C5 NAG H 102 12.709 10.771 -4.324 1.00 2.01 C HETATM 1450 C6 NAG H 102 11.491 10.153 -4.990 1.00 2.85 C HETATM 1451 C7 NAG H 102 16.270 12.657 -1.964 1.00 1.57 C HETATM 1452 C8 NAG H 102 17.399 13.291 -1.161 1.00 2.06 C HETATM 1453 N2 NAG H 102 16.262 11.325 -2.083 1.00 1.16 N HETATM 1454 O3 NAG H 102 16.434 10.534 -4.872 1.00 1.60 O HETATM 1455 O4 NAG H 102 13.997 10.870 -6.360 1.00 2.71 O HETATM 1456 O5 NAG H 102 12.758 10.353 -2.961 1.00 1.51 O HETATM 1457 O6 NAG H 102 11.479 8.737 -4.855 1.00 3.23 O HETATM 1458 O7 NAG H 102 15.478 13.381 -2.556 1.00 2.31 O HETATM 0 HO6 NAG H 102 11.844 8.489 -3.980 1.00 3.23 H new HETATM 0 HO4 NAG H 102 13.456 10.267 -6.911 1.00 2.71 H new HETATM 0 HO3 NAG H 102 16.454 10.780 -5.820 1.00 1.60 H new HETATM 0 HN2 NAG H 102 17.001 10.781 -1.639 1.00 1.16 H new HETATM 0 H83 NAG H 102 17.375 12.914 -0.139 1.00 2.06 H new HETATM 0 H82 NAG H 102 18.356 13.040 -1.618 1.00 2.06 H new HETATM 0 H81 NAG H 102 17.275 14.374 -1.151 1.00 2.06 H new HETATM 0 H62 NAG H 102 10.585 10.568 -4.549 1.00 2.85 H new HETATM 0 H61 NAG H 102 11.481 10.418 -6.047 1.00 2.85 H new HETATM 0 H5 NAG H 102 12.606 11.854 -4.398 1.00 2.01 H new HETATM 0 H4 NAG H 102 14.126 9.307 -5.002 1.00 2.01 H new HETATM 0 H3 NAG H 102 15.181 12.092 -4.370 1.00 1.41 H new HETATM 0 H2 NAG H 102 15.397 9.554 -2.769 1.00 0.94 H new