USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, 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: 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 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+ -179:sc= 0.497! (180deg=0.534) USER MOD Set 1.2: H 5 DAL OXT : rot -120:sc= 0.958 USER MOD Set 1.3: H 102 NAG O3 : rot 180:sc= -0.565 USER MOD Set 2.1: H 1 ALA N :NH3+ -139:sc= -2.62! (180deg=-5.06!) USER MOD Set 2.2: H 101 MUB O6 : rot -83:sc= 1.06 USER MOD Set 3.1: D 3 LYS NZ :NH3+ -104:sc= 0.28 (180deg=-2.09) USER MOD Set 3.2: D 5 DAL OXT : rot -137:sc= 2.65 USER MOD Set 3.3: D 102 NAG O3 : rot 137:sc= -2.24! USER MOD Set 3.4: D 102 NAG O4 : rot 48:sc= 1.18 USER MOD Set 4.1: C 1 ALA N :NH3+ -133:sc= -2.63! (180deg=-5.32!) USER MOD Set 4.2: C 101 MUB O6 : rot -69:sc= 1.11 USER MOD Set 5.1: C 3 LYS NZ :NH3+ 159:sc= 0.529 (180deg=-0.00431) USER MOD Set 5.2: C 5 DAL OXT : rot -68:sc= 0.951 USER MOD Set 5.3: C 102 NAG O3 : rot 180:sc= -1.06 USER MOD Single : A 3 SER OG : rot -3:sc= 0.541 USER MOD Single : A 7 SER OG : rot 123:sc= -0.424 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : C 102 NAG O4 : rot 160:sc= 0 USER MOD Single : C 102 NAG O6 : rot 15:sc= 1.07 USER MOD Single : D 1 ALA N :NH3+ -146:sc= -2.3! (180deg=-4.71!) USER MOD Single : D 101 MUB O6 : rot 180:sc= 0 USER MOD Single : D 102 NAG O6 : rot 23:sc= 0.277 USER MOD Single : E 3 SER OG : rot -3:sc= 0.278 USER MOD Single : E 7 SER OG : rot 180:sc=-0.00611 USER MOD Single : F 3 SER OG : rot -6:sc= 0.254 USER MOD Single : F 7 SER OG : rot 151:sc= 0.573 USER MOD Single : G 1 ALA N :NH3+ -133:sc= -0.142 (180deg=-2.52) USER MOD Single : G 3 LYS NZ :NH3+ -126:sc= 1.75 (180deg=-2.38) USER MOD Single : G 101 MUB O6 : rot 180:sc= 0 USER MOD Single : G 102 NAG O3 : rot 129:sc= -0.771! USER MOD Single : G 102 NAG O4 : rot 160:sc= 0 USER MOD Single : G 102 NAG O6 : rot -26:sc= 0.0519 USER MOD Single : H 102 NAG O4 : rot 160:sc= 0 USER MOD Single : H 102 NAG O6 : rot -26:sc= 0.0688 USER MOD ----------------------------------------------------------------- HETATM 1 N ZAE A 1 8.251 -16.808 1.126 1.00 0.00 N HETATM 2 CA ZAE A 1 8.694 -15.861 0.045 1.00 0.00 C HETATM 3 C ZAE A 1 8.037 -14.490 0.198 1.00 0.00 C HETATM 4 O ZAE A 1 8.634 -13.555 0.733 1.00 0.00 O HETATM 5 CB ZAE A 1 10.223 -15.700 0.038 1.00 0.00 C HETATM 6 CG ZAE A 1 10.794 -15.413 -1.332 1.00 0.00 C HETATM 7 CD1 ZAE A 1 10.257 -16.012 -2.464 1.00 0.00 C HETATM 8 CD2 ZAE A 1 11.883 -14.562 -1.484 1.00 0.00 C HETATM 9 CE1 ZAE A 1 10.781 -15.753 -3.719 1.00 0.00 C HETATM 10 CE2 ZAE A 1 12.408 -14.299 -2.738 1.00 0.00 C HETATM 11 CZ ZAE A 1 11.864 -14.905 -3.855 1.00 0.00 C HETATM 12 C10 ZAE A 1 8.697 -16.358 2.459 1.00 0.00 C HETATM 0 HZ ZAE A 1 12.288 -14.715 -4.841 1.00 0.00 H new HETATM 0 HE2 ZAE A 1 13.250 -13.615 -2.844 1.00 0.00 H new HETATM 0 HE1 ZAE A 1 10.339 -16.218 -4.600 1.00 0.00 H new HETATM 0 HD2 ZAE A 1 12.329 -14.096 -0.605 1.00 0.00 H new HETATM 0 HD1 ZAE A 1 9.413 -16.694 -2.363 1.00 0.00 H new HETATM 0 HB3 ZAE A 1 10.498 -14.891 0.714 1.00 0.00 H new HETATM 0 HB2 ZAE A 1 10.678 -16.610 0.429 1.00 0.00 H new HETATM 0 HA ZAE A 1 8.379 -16.295 -0.904 1.00 0.00 H new HETATM 0 H13 ZAE A 1 9.785 -16.300 2.478 1.00 0.00 H new HETATM 0 H12 ZAE A 1 8.277 -15.375 2.670 1.00 0.00 H new HETATM 0 H11 ZAE A 1 8.358 -17.067 3.214 1.00 0.00 H new HETATM 0 H ZAE A 1 7.710 -17.656 0.959 1.00 0.00 H new ATOM 26 N ILE A 2 6.799 -14.380 -0.254 1.00 0.00 N ATOM 27 CA ILE A 2 6.075 -13.125 -0.179 1.00 0.00 C ATOM 28 C ILE A 2 5.199 -13.113 1.072 1.00 0.00 C ATOM 29 O ILE A 2 4.771 -14.169 1.548 1.00 0.00 O ATOM 30 CB ILE A 2 5.204 -12.902 -1.458 1.00 0.00 C ATOM 31 CG1 ILE A 2 4.877 -11.415 -1.653 1.00 0.00 C ATOM 32 CG2 ILE A 2 3.926 -13.737 -1.398 1.00 0.00 C ATOM 33 CD1 ILE A 2 6.051 -10.568 -2.081 1.00 0.00 C ATOM 0 H ILE A 2 6.275 -15.146 -0.677 1.00 0.00 H new ATOM 0 HA ILE A 2 6.796 -12.309 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 2 5.785 -13.232 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.088 -11.324 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.479 -11.018 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.336 -13.565 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.185 -14.794 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.344 -13.449 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.730 -9.533 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.835 -10.624 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.437 -10.935 -3.032 1.00 0.00 H new ATOM 45 N SER A 3 4.996 -11.927 1.636 1.00 0.00 N ATOM 46 CA SER A 3 4.121 -11.770 2.791 1.00 0.00 C ATOM 47 C SER A 3 3.518 -10.375 2.797 1.00 0.00 C ATOM 48 O SER A 3 4.002 -9.460 2.119 1.00 0.00 O ATOM 49 CB SER A 3 4.817 -12.059 4.129 1.00 0.00 C ATOM 50 OG SER A 3 5.332 -13.375 4.216 1.00 0.00 O ATOM 0 H SER A 3 5.426 -11.061 1.312 1.00 0.00 H new ATOM 0 HA SER A 3 3.333 -12.516 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.630 -11.347 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.109 -11.898 4.942 1.00 0.00 H new ATOM 0 HG SER A 3 5.094 -13.873 3.406 1.00 0.00 H new HETATM 56 N DAR A 4 2.472 -10.219 3.579 1.00 0.00 N HETATM 57 CA DAR A 4 1.775 -8.957 3.675 1.00 0.00 C HETATM 58 CB DAR A 4 1.672 -8.547 5.125 1.00 0.00 C HETATM 59 CG DAR A 4 2.982 -8.071 5.685 1.00 0.00 C HETATM 60 CD DAR A 4 3.278 -6.662 5.227 1.00 0.00 C HETATM 61 NE DAR A 4 4.330 -6.065 6.024 1.00 0.00 N HETATM 62 CZ DAR A 4 4.576 -4.765 6.070 1.00 0.00 C HETATM 63 NH1 DAR A 4 5.522 -4.306 6.875 1.00 0.00 N HETATM 64 NH2 DAR A 4 3.905 -3.927 5.290 1.00 0.00 N HETATM 65 C DAR A 4 0.382 -9.052 3.107 1.00 0.00 C HETATM 66 O DAR A 4 -0.340 -10.008 3.397 1.00 0.00 O HETATM 0 HH22 DAR A 4 4.099 -2.926 5.330 1.00 0.00 H new HETATM 0 HH21 DAR A 4 3.195 -4.283 4.650 1.00 0.00 H new HETATM 0 HH12 DAR A 4 5.716 -3.305 6.915 1.00 0.00 H new HETATM 0 HH11 DAR A 4 6.056 -4.953 7.455 1.00 0.00 H new HETATM 0 HG3 DAR A 4 2.952 -8.106 6.774 1.00 0.00 H new HETATM 0 HG2 DAR A 4 3.783 -8.738 5.367 1.00 0.00 H new HETATM 0 HE DAR A 4 4.917 -6.684 6.584 1.00 0.00 H new HETATM 0 HD3 DAR A 4 3.573 -6.672 4.178 1.00 0.00 H new HETATM 0 HD2 DAR A 4 2.375 -6.056 5.298 1.00 0.00 H new HETATM 0 HB3 DAR A 4 0.930 -7.755 5.223 1.00 0.00 H new HETATM 0 HB2 DAR A 4 1.315 -9.392 5.713 1.00 0.00 H new HETATM 0 HA DAR A 4 2.340 -8.221 3.103 1.00 0.00 H new HETATM 80 N 28J A 5 -0.004 -8.074 2.299 1.00 0.00 N HETATM 81 CA 28J A 5 -1.345 -8.079 1.753 1.00 0.00 C HETATM 82 CB 28J A 5 -1.428 -8.767 0.364 1.00 0.00 C HETATM 83 CG2 28J A 5 -0.139 -8.520 -0.403 1.00 0.00 C HETATM 84 CG1 28J A 5 -1.644 -10.281 0.509 1.00 0.00 C HETATM 85 CD1 28J A 5 -1.957 -10.982 -0.798 1.00 0.00 C HETATM 86 C 28J A 5 -1.905 -6.664 1.697 1.00 0.00 C HETATM 87 O 28J A 5 -1.284 -5.703 2.169 1.00 0.00 O ATOM 98 N ILE A 6 -3.118 -6.579 1.171 1.00 0.00 N ATOM 99 CA ILE A 6 -3.825 -5.321 0.999 1.00 0.00 C ATOM 100 C ILE A 6 -5.267 -5.390 1.552 1.00 0.00 C ATOM 101 O ILE A 6 -5.943 -6.404 1.385 1.00 0.00 O ATOM 102 CB ILE A 6 -3.814 -4.983 -0.516 1.00 0.00 C ATOM 103 CG1 ILE A 6 -4.650 -3.752 -0.846 1.00 0.00 C ATOM 104 CG2 ILE A 6 -4.262 -6.181 -1.371 1.00 0.00 C ATOM 105 CD1 ILE A 6 -4.820 -3.499 -2.297 1.00 0.00 C ATOM 0 H ILE A 6 -3.644 -7.391 0.848 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.327 -4.535 1.566 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.778 -4.752 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.634 -3.863 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.185 -2.879 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.241 -5.904 -2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.588 -7.021 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.276 -6.468 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.427 -2.605 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.843 -3.353 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.315 -4.353 -2.760 1.00 0.00 H new ATOM 117 N SER A 7 -5.700 -4.337 2.284 1.00 0.00 N ATOM 118 CA SER A 7 -7.080 -4.268 2.814 1.00 0.00 C ATOM 119 C SER A 7 -7.557 -2.829 2.979 1.00 0.00 C ATOM 120 O SER A 7 -6.753 -1.883 3.022 1.00 0.00 O ATOM 121 CB SER A 7 -7.221 -4.967 4.157 1.00 0.00 C ATOM 122 OG SER A 7 -6.263 -4.504 5.079 1.00 0.00 O ATOM 0 H SER A 7 -5.120 -3.532 2.519 1.00 0.00 H new ATOM 0 HA SER A 7 -7.696 -4.779 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.222 -4.798 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.109 -6.043 4.023 1.00 0.00 H new ATOM 0 HG SER A 7 -6.716 -4.157 5.876 1.00 0.00 H new HETATM 128 N DTH A 8 -8.879 -2.679 3.091 1.00 0.00 N HETATM 129 CA DTH A 8 -9.504 -1.365 3.278 1.00 0.00 C HETATM 130 CB DTH A 8 -9.871 -1.031 4.748 1.00 0.00 C HETATM 131 CG2 DTH A 8 -8.654 -1.195 5.632 1.00 0.00 C HETATM 132 OG1 DTH A 8 -10.940 -1.870 5.206 1.00 0.00 O HETATM 133 C DTH A 8 -10.798 -1.366 2.478 1.00 0.00 C HETATM 134 O DTH A 8 -11.339 -0.324 2.115 1.00 0.00 O HETATM 0 HG23 DTH A 8 -8.299 -2.224 5.575 1.00 0.00 H new HETATM 0 HG22 DTH A 8 -7.867 -0.520 5.296 1.00 0.00 H new HETATM 0 HG21 DTH A 8 -8.919 -0.959 6.663 1.00 0.00 H new HETATM 0 HB DTH A 8 -10.208 0.005 4.798 1.00 0.00 H new HETATM 0 HA DTH A 8 -8.779 -0.618 2.955 1.00 0.00 H new ATOM 141 N ALA A 9 -11.297 -2.568 2.206 1.00 0.00 N ATOM 142 CA ALA A 9 -12.550 -2.732 1.492 1.00 0.00 C ATOM 143 C ALA A 9 -13.727 -2.496 2.431 1.00 0.00 C ATOM 144 O ALA A 9 -14.356 -1.441 2.385 1.00 0.00 O ATOM 145 CB ALA A 9 -12.604 -4.113 0.901 1.00 0.00 C ATOM 0 H ALA A 9 -10.847 -3.444 2.472 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.612 -1.999 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.543 -4.242 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.770 -4.247 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.538 -4.853 1.699 1.00 0.00 H new ATOM 151 N LEU A 10 -14.035 -3.486 3.283 1.00 0.00 N ATOM 152 CA LEU A 10 -15.120 -3.327 4.257 1.00 0.00 C ATOM 153 C LEU A 10 -14.559 -2.753 5.540 1.00 0.00 C ATOM 154 O LEU A 10 -15.264 -2.131 6.337 1.00 0.00 O ATOM 155 CB LEU A 10 -15.795 -4.663 4.584 1.00 0.00 C ATOM 156 CG LEU A 10 -14.935 -5.926 4.437 1.00 0.00 C ATOM 157 CD1 LEU A 10 -14.476 -6.087 3.009 1.00 0.00 C ATOM 158 CD2 LEU A 10 -13.734 -5.939 5.385 1.00 0.00 C ATOM 0 H LEU A 10 -13.558 -4.387 3.317 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.862 -2.661 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.159 -4.617 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.668 -4.769 3.940 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.566 -6.771 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.867 -6.987 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.344 -6.171 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.884 -5.219 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.163 -6.855 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.098 -5.078 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.084 -5.893 6.416 1.00 0.00 H new ATOM 170 N ILE A 11 -13.274 -2.982 5.732 1.00 0.00 N ATOM 171 CA ILE A 11 -12.599 -2.481 6.923 1.00 0.00 C ATOM 172 C ILE A 11 -11.452 -1.574 6.508 1.00 0.00 C ATOM 173 O ILE A 11 -11.037 -0.663 7.229 1.00 0.00 O ATOM 174 CB ILE A 11 -12.087 -3.623 7.838 1.00 0.00 C ATOM 175 CG1 ILE A 11 -11.154 -4.566 7.065 1.00 0.00 C ATOM 176 CG2 ILE A 11 -13.260 -4.413 8.398 1.00 0.00 C ATOM 177 CD1 ILE A 11 -9.946 -5.022 7.859 1.00 0.00 C ATOM 0 H ILE A 11 -12.679 -3.505 5.090 1.00 0.00 H new ATOM 0 HA ILE A 11 -13.326 -1.916 7.507 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.528 -3.174 8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.720 -5.442 6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.813 -4.063 6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -12.888 -5.212 9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.901 -3.750 8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.834 -4.844 7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.336 -5.685 7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.355 -4.154 8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.277 -5.555 8.750 1.00 0.00 H new TER 189 ILE A 11 HETATM 190 N ZAE B 1 -8.678 4.535 3.642 1.00 0.00 N HETATM 191 CA ZAE B 1 -9.314 3.576 2.730 1.00 0.00 C HETATM 192 C ZAE B 1 -8.519 2.296 2.620 1.00 0.00 C HETATM 193 O ZAE B 1 -8.627 1.407 3.468 1.00 0.00 O HETATM 194 CB ZAE B 1 -10.710 3.284 3.224 1.00 0.00 C HETATM 195 CG ZAE B 1 -11.555 2.612 2.217 1.00 0.00 C HETATM 196 CD1 ZAE B 1 -11.085 2.465 0.935 1.00 0.00 C HETATM 197 CD2 ZAE B 1 -12.823 2.167 2.527 1.00 0.00 C HETATM 198 CE1 ZAE B 1 -11.856 1.883 -0.029 1.00 0.00 C HETATM 199 CE2 ZAE B 1 -13.606 1.568 1.560 1.00 0.00 C HETATM 200 CZ ZAE B 1 -13.117 1.432 0.275 1.00 0.00 C HETATM 201 C10 ZAE B 1 -8.638 3.995 5.006 1.00 0.00 C HETATM 0 HZ ZAE B 1 -13.731 0.967 -0.496 1.00 0.00 H new HETATM 0 HE2 ZAE B 1 -14.603 1.205 1.809 1.00 0.00 H new HETATM 0 HE1 ZAE B 1 -11.470 1.776 -1.043 1.00 0.00 H new HETATM 0 HD2 ZAE B 1 -13.209 2.289 3.539 1.00 0.00 H new HETATM 0 HD1 ZAE B 1 -10.084 2.817 0.684 1.00 0.00 H new HETATM 0 HB3 ZAE B 1 -10.650 2.658 4.114 1.00 0.00 H new HETATM 0 HB2 ZAE B 1 -11.186 4.218 3.523 1.00 0.00 H new HETATM 0 HA ZAE B 1 -9.353 4.017 1.734 1.00 0.00 H new HETATM 0 H13 ZAE B 1 -9.654 3.799 5.350 1.00 0.00 H new HETATM 0 H12 ZAE B 1 -8.067 3.067 5.013 1.00 0.00 H new HETATM 0 H11 ZAE B 1 -8.164 4.718 5.670 1.00 0.00 H new HETATM 0 H ZAE B 1 -8.315 5.448 3.366 1.00 0.00 H new ATOM 215 N ILE B 2 -7.697 2.211 1.594 1.00 0.00 N ATOM 216 CA ILE B 2 -6.917 1.026 1.388 1.00 0.00 C ATOM 217 C ILE B 2 -5.471 1.266 1.755 1.00 0.00 C ATOM 218 O ILE B 2 -4.888 2.329 1.457 1.00 0.00 O ATOM 219 CB ILE B 2 -7.010 0.498 -0.065 1.00 0.00 C ATOM 220 CG1 ILE B 2 -6.822 -1.008 -0.058 1.00 0.00 C ATOM 221 CG2 ILE B 2 -5.958 1.150 -0.960 1.00 0.00 C ATOM 222 CD1 ILE B 2 -7.578 -1.703 -1.158 1.00 0.00 C ATOM 0 H ILE B 2 -7.558 2.946 0.900 1.00 0.00 H new ATOM 0 HA ILE B 2 -7.336 0.261 2.042 1.00 0.00 H new ATOM 0 HB ILE B 2 -7.991 0.750 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -5.761 -1.236 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -7.147 -1.404 0.904 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.049 0.759 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.110 2.229 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -4.963 0.928 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -7.402 -2.777 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -8.644 -1.503 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -7.236 -1.333 -2.125 1.00 0.00 H new ATOM 234 N SER B 3 -4.937 0.278 2.455 1.00 0.00 N ATOM 235 CA SER B 3 -3.559 0.263 2.851 1.00 0.00 C ATOM 236 C SER B 3 -3.076 -1.163 2.921 1.00 0.00 C ATOM 237 O SER B 3 -3.861 -2.123 2.902 1.00 0.00 O ATOM 238 CB SER B 3 -3.331 0.940 4.197 1.00 0.00 C ATOM 239 OG SER B 3 -4.494 0.938 5.008 1.00 0.00 O ATOM 0 H SER B 3 -5.463 -0.540 2.762 1.00 0.00 H new ATOM 0 HA SER B 3 -2.998 0.825 2.104 1.00 0.00 H new ATOM 0 HB2 SER B 3 -2.523 0.432 4.724 1.00 0.00 H new ATOM 0 HB3 SER B 3 -3.008 1.968 4.033 1.00 0.00 H new ATOM 0 HG SER B 3 -4.299 1.381 5.860 1.00 0.00 H new HETATM 245 N DAR B 4 -1.781 -1.284 2.962 1.00 0.00 N HETATM 246 CA DAR B 4 -1.133 -2.570 3.044 1.00 0.00 C HETATM 247 CB DAR B 4 -0.569 -2.798 4.438 1.00 0.00 C HETATM 248 CG DAR B 4 -1.561 -3.359 5.441 1.00 0.00 C HETATM 249 CD DAR B 4 -0.864 -3.917 6.667 1.00 0.00 C HETATM 250 NE DAR B 4 -1.805 -4.554 7.585 1.00 0.00 N HETATM 251 CZ DAR B 4 -2.136 -5.844 7.536 1.00 0.00 C HETATM 252 NH1 DAR B 4 -2.984 -6.340 8.425 1.00 0.00 N HETATM 253 NH2 DAR B 4 -1.634 -6.634 6.593 1.00 0.00 N HETATM 254 C DAR B 4 -0.001 -2.605 2.060 1.00 0.00 C HETATM 255 O DAR B 4 0.681 -1.591 1.882 1.00 0.00 O HETATM 0 HH22 DAR B 4 -1.893 -7.620 6.563 1.00 0.00 H new HETATM 0 HH21 DAR B 4 -0.990 -6.254 5.899 1.00 0.00 H new HETATM 0 HH12 DAR B 4 -3.240 -7.327 8.391 1.00 0.00 H new HETATM 0 HH11 DAR B 4 -3.381 -5.735 9.144 1.00 0.00 H new HETATM 0 HG3 DAR B 4 -2.256 -2.575 5.743 1.00 0.00 H new HETATM 0 HG2 DAR B 4 -2.151 -4.144 4.969 1.00 0.00 H new HETATM 0 HE DAR B 4 -2.235 -3.976 8.307 1.00 0.00 H new HETATM 0 HD3 DAR B 4 -0.111 -4.642 6.358 1.00 0.00 H new HETATM 0 HD2 DAR B 4 -0.340 -3.113 7.184 1.00 0.00 H new HETATM 0 HB3 DAR B 4 0.278 -3.480 4.365 1.00 0.00 H new HETATM 0 HB2 DAR B 4 -0.184 -1.852 4.819 1.00 0.00 H new HETATM 0 HA DAR B 4 -1.865 -3.347 2.823 1.00 0.00 H new HETATM 269 N 28J B 5 0.197 -3.742 1.412 1.00 0.00 N HETATM 270 CA 28J B 5 1.271 -3.853 0.450 1.00 0.00 C HETATM 271 CB 28J B 5 0.800 -3.469 -0.979 1.00 0.00 C HETATM 272 CG2 28J B 5 -0.573 -4.062 -1.272 1.00 0.00 C HETATM 273 CG1 28J B 5 0.744 -1.946 -1.138 1.00 0.00 C HETATM 274 CD1 28J B 5 0.070 -1.486 -2.416 1.00 0.00 C HETATM 275 C 28J B 5 1.878 -5.255 0.423 1.00 0.00 C HETATM 276 O 28J B 5 1.545 -6.116 1.257 1.00 0.00 O ATOM 287 N ILE B 6 2.851 -5.425 -0.484 1.00 0.00 N ATOM 288 CA ILE B 6 3.466 -6.736 -0.732 1.00 0.00 C ATOM 289 C ILE B 6 4.998 -6.692 -0.796 1.00 0.00 C ATOM 290 O ILE B 6 5.591 -5.795 -1.412 1.00 0.00 O ATOM 291 CB ILE B 6 2.889 -7.319 -2.051 1.00 0.00 C ATOM 292 CG1 ILE B 6 3.927 -8.143 -2.821 1.00 0.00 C ATOM 293 CG2 ILE B 6 2.301 -6.220 -2.966 1.00 0.00 C ATOM 294 CD1 ILE B 6 3.451 -8.690 -4.136 1.00 0.00 C ATOM 0 H ILE B 6 3.229 -4.671 -1.058 1.00 0.00 H new ATOM 0 HA ILE B 6 3.221 -7.376 0.115 1.00 0.00 H new ATOM 0 HB ILE B 6 2.078 -7.984 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE B 6 4.804 -7.521 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.248 -8.974 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.910 -6.675 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE B 6 1.496 -5.704 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.082 -5.506 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.254 -9.258 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.594 -9.343 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE B 6 3.159 -7.867 -4.788 1.00 0.00 H new ATOM 306 N SER B 7 5.648 -7.663 -0.132 1.00 0.00 N ATOM 307 CA SER B 7 7.108 -7.720 -0.136 1.00 0.00 C ATOM 308 C SER B 7 7.698 -9.112 0.100 1.00 0.00 C ATOM 309 O SER B 7 7.107 -9.970 0.773 1.00 0.00 O ATOM 310 CB SER B 7 7.645 -6.840 0.969 1.00 0.00 C ATOM 311 OG SER B 7 6.748 -6.832 2.048 1.00 0.00 O ATOM 0 H SER B 7 5.191 -8.402 0.402 1.00 0.00 H new ATOM 0 HA SER B 7 7.399 -7.396 -1.135 1.00 0.00 H new ATOM 0 HB2 SER B 7 8.619 -7.205 1.296 1.00 0.00 H new ATOM 0 HB3 SER B 7 7.793 -5.825 0.599 1.00 0.00 H new ATOM 0 HG SER B 7 7.101 -6.262 2.763 1.00 0.00 H new HETATM 317 N DTH B 8 8.884 -9.293 -0.483 1.00 0.00 N HETATM 318 CA DTH B 8 9.702 -10.497 -0.320 1.00 0.00 C HETATM 319 CB DTH B 8 10.566 -10.558 0.970 1.00 0.00 C HETATM 320 CG2 DTH B 8 9.700 -10.392 2.197 1.00 0.00 C HETATM 321 OG1 DTH B 8 11.590 -9.558 0.911 1.00 0.00 O HETATM 322 C DTH B 8 10.860 -10.708 -1.422 1.00 0.00 C HETATM 323 O DTH B 8 11.559 -11.686 -1.241 1.00 0.00 O HETATM 0 HG23 DTH B 8 9.193 -9.428 2.157 1.00 0.00 H new HETATM 0 HG22 DTH B 8 8.959 -11.191 2.230 1.00 0.00 H new HETATM 0 HG21 DTH B 8 10.323 -10.437 3.091 1.00 0.00 H new HETATM 0 HB DTH B 8 11.044 -11.535 1.038 1.00 0.00 H new HETATM 0 HA DTH B 8 8.897 -11.230 -0.360 1.00 0.00 H new ATOM 330 N ALA B 9 11.188 -9.700 -2.246 1.00 0.00 N ATOM 331 CA ALA B 9 12.314 -9.771 -3.153 1.00 0.00 C ATOM 332 C ALA B 9 13.552 -9.231 -2.515 1.00 0.00 C ATOM 333 O ALA B 9 14.519 -9.933 -2.224 1.00 0.00 O ATOM 334 CB ALA B 9 12.033 -8.988 -4.425 1.00 0.00 C ATOM 0 H ALA B 9 10.673 -8.821 -2.292 1.00 0.00 H new ATOM 0 HA ALA B 9 12.466 -10.822 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA B 9 12.893 -9.056 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA B 9 11.156 -9.403 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA B 9 11.848 -7.943 -4.176 1.00 0.00 H new ATOM 340 N LEU B 10 13.460 -7.962 -2.268 1.00 0.00 N ATOM 341 CA LEU B 10 14.543 -7.189 -1.667 1.00 0.00 C ATOM 342 C LEU B 10 14.747 -7.605 -0.221 1.00 0.00 C ATOM 343 O LEU B 10 15.835 -7.473 0.337 1.00 0.00 O ATOM 344 CB LEU B 10 14.230 -5.682 -1.738 1.00 0.00 C ATOM 345 CG LEU B 10 12.996 -5.283 -2.568 1.00 0.00 C ATOM 346 CD1 LEU B 10 12.574 -3.890 -2.201 1.00 0.00 C ATOM 347 CD2 LEU B 10 13.248 -5.352 -4.071 1.00 0.00 C ATOM 0 H LEU B 10 12.627 -7.411 -2.474 1.00 0.00 H new ATOM 0 HA LEU B 10 15.458 -7.386 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU B 10 14.094 -5.312 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU B 10 15.100 -5.170 -2.150 1.00 0.00 H new ATOM 0 HG LEU B 10 12.208 -6.000 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU B 10 11.700 -3.608 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU B 10 12.325 -3.853 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU B 10 13.389 -3.197 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU B 10 12.344 -5.060 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU B 10 14.060 -4.675 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU B 10 13.520 -6.370 -4.348 1.00 0.00 H new ATOM 359 N ILE B 11 13.692 -8.180 0.344 1.00 0.00 N ATOM 360 CA ILE B 11 13.686 -8.590 1.742 1.00 0.00 C ATOM 361 C ILE B 11 12.604 -9.644 1.914 1.00 0.00 C ATOM 362 O ILE B 11 12.620 -10.473 2.826 1.00 0.00 O ATOM 363 CB ILE B 11 13.422 -7.406 2.729 1.00 0.00 C ATOM 364 CG1 ILE B 11 12.364 -6.413 2.202 1.00 0.00 C ATOM 365 CG2 ILE B 11 14.716 -6.659 2.979 1.00 0.00 C ATOM 366 CD1 ILE B 11 11.815 -5.466 3.261 1.00 0.00 C ATOM 0 H ILE B 11 12.822 -8.374 -0.151 1.00 0.00 H new ATOM 0 HA ILE B 11 14.675 -8.979 1.985 1.00 0.00 H new ATOM 0 HB ILE B 11 13.036 -7.839 3.652 1.00 0.00 H new ATOM 0 HG12 ILE B 11 12.804 -5.824 1.397 1.00 0.00 H new ATOM 0 HG13 ILE B 11 11.537 -6.976 1.770 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.533 -5.834 3.667 1.00 0.00 H new ATOM 0 HG22 ILE B 11 15.450 -7.338 3.414 1.00 0.00 H new ATOM 0 HG23 ILE B 11 15.098 -6.267 2.036 1.00 0.00 H new ATOM 0 HD11 ILE B 11 11.078 -4.802 2.809 1.00 0.00 H new ATOM 0 HD12 ILE B 11 11.343 -6.043 4.056 1.00 0.00 H new ATOM 0 HD13 ILE B 11 12.630 -4.874 3.677 1.00 0.00 H new TER 378 ILE B 11 HETATM 379 N ZAE E 1 8.205 -4.770 -1.092 1.00 0.00 N HETATM 380 CA ZAE E 1 8.138 -4.164 -2.442 1.00 0.00 C HETATM 381 C ZAE E 1 7.399 -2.842 -2.386 1.00 0.00 C HETATM 382 O ZAE E 1 8.016 -1.778 -2.320 1.00 0.00 O HETATM 383 CB ZAE E 1 9.545 -3.927 -2.975 1.00 0.00 C HETATM 384 CG ZAE E 1 9.612 -3.726 -4.454 1.00 0.00 C HETATM 385 CD1 ZAE E 1 8.940 -4.586 -5.304 1.00 0.00 C HETATM 386 CD2 ZAE E 1 10.380 -2.704 -4.995 1.00 0.00 C HETATM 387 CE1 ZAE E 1 9.021 -4.429 -6.674 1.00 0.00 C HETATM 388 CE2 ZAE E 1 10.461 -2.536 -6.365 1.00 0.00 C HETATM 389 CZ ZAE E 1 9.787 -3.407 -7.207 1.00 0.00 C HETATM 390 C10 ZAE E 1 8.896 -3.867 -0.168 1.00 0.00 C HETATM 0 HZ ZAE E 1 9.860 -3.287 -8.288 1.00 0.00 H new HETATM 0 HE2 ZAE E 1 11.053 -1.721 -6.782 1.00 0.00 H new HETATM 0 HE1 ZAE E 1 8.483 -5.109 -7.334 1.00 0.00 H new HETATM 0 HD2 ZAE E 1 10.924 -2.029 -4.334 1.00 0.00 H new HETATM 0 HD1 ZAE E 1 8.340 -5.396 -4.888 1.00 0.00 H new HETATM 0 HB3 ZAE E 1 9.966 -3.052 -2.481 1.00 0.00 H new HETATM 0 HB2 ZAE E 1 10.172 -4.777 -2.706 1.00 0.00 H new HETATM 0 HA ZAE E 1 7.606 -4.848 -3.103 1.00 0.00 H new HETATM 0 H13 ZAE E 1 9.908 -3.683 -0.528 1.00 0.00 H new HETATM 0 H12 ZAE E 1 8.355 -2.923 -0.109 1.00 0.00 H new HETATM 0 H11 ZAE E 1 8.940 -4.322 0.821 1.00 0.00 H new HETATM 0 H ZAE E 1 7.825 -5.683 -0.842 1.00 0.00 H new ATOM 404 N ILE E 2 6.093 -2.901 -2.354 1.00 0.00 N ATOM 405 CA ILE E 2 5.323 -1.693 -2.327 1.00 0.00 C ATOM 406 C ILE E 2 4.379 -1.704 -1.143 1.00 0.00 C ATOM 407 O ILE E 2 3.848 -2.758 -0.751 1.00 0.00 O ATOM 408 CB ILE E 2 4.568 -1.485 -3.661 1.00 0.00 C ATOM 409 CG1 ILE E 2 4.464 0.002 -3.984 1.00 0.00 C ATOM 410 CG2 ILE E 2 3.196 -2.155 -3.640 1.00 0.00 C ATOM 411 CD1 ILE E 2 3.861 0.313 -5.328 1.00 0.00 C ATOM 0 H ILE E 2 5.549 -3.764 -2.346 1.00 0.00 H new ATOM 0 HA ILE E 2 6.001 -0.848 -2.210 1.00 0.00 H new ATOM 0 HB ILE E 2 5.140 -1.965 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE E 2 3.866 0.487 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE E 2 5.461 0.441 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE E 2 2.695 -1.988 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE E 2 3.317 -3.226 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE E 2 2.596 -1.730 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE E 2 3.827 1.393 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE E 2 4.469 -0.138 -6.113 1.00 0.00 H new ATOM 0 HD13 ILE E 2 2.850 -0.091 -5.375 1.00 0.00 H new ATOM 423 N SER E 3 4.234 -0.532 -0.541 1.00 0.00 N ATOM 424 CA SER E 3 3.341 -0.358 0.572 1.00 0.00 C ATOM 425 C SER E 3 2.810 1.055 0.602 1.00 0.00 C ATOM 426 O SER E 3 3.430 1.997 0.087 1.00 0.00 O ATOM 427 CB SER E 3 3.993 -0.713 1.905 1.00 0.00 C ATOM 428 OG SER E 3 4.426 -2.057 1.966 1.00 0.00 O ATOM 0 H SER E 3 4.733 0.314 -0.816 1.00 0.00 H new ATOM 0 HA SER E 3 2.512 -1.051 0.430 1.00 0.00 H new ATOM 0 HB2 SER E 3 4.845 -0.054 2.074 1.00 0.00 H new ATOM 0 HB3 SER E 3 3.283 -0.529 2.711 1.00 0.00 H new ATOM 0 HG SER E 3 4.170 -2.521 1.142 1.00 0.00 H new HETATM 434 N DAR E 4 1.657 1.179 1.208 1.00 0.00 N HETATM 435 CA DAR E 4 0.982 2.449 1.314 1.00 0.00 C HETATM 436 CB DAR E 4 1.077 2.988 2.733 1.00 0.00 C HETATM 437 CG DAR E 4 2.426 3.589 3.073 1.00 0.00 C HETATM 438 CD DAR E 4 2.589 4.957 2.444 1.00 0.00 C HETATM 439 NE DAR E 4 3.908 5.517 2.702 1.00 0.00 N HETATM 440 CZ DAR E 4 4.198 6.811 2.597 1.00 0.00 C HETATM 441 NH1 DAR E 4 5.417 7.236 2.886 1.00 0.00 N HETATM 442 NH2 DAR E 4 3.272 7.677 2.199 1.00 0.00 N HETATM 443 C DAR E 4 -0.470 2.271 0.955 1.00 0.00 C HETATM 444 O DAR E 4 -1.106 1.334 1.450 1.00 0.00 O HETATM 0 HH22 DAR E 4 3.501 8.668 2.121 1.00 0.00 H new HETATM 0 HH21 DAR E 4 2.333 7.351 1.972 1.00 0.00 H new HETATM 0 HH12 DAR E 4 5.644 8.227 2.807 1.00 0.00 H new HETATM 0 HH11 DAR E 4 6.130 6.572 3.188 1.00 0.00 H new HETATM 0 HG3 DAR E 4 2.530 3.668 4.155 1.00 0.00 H new HETATM 0 HG2 DAR E 4 3.220 2.928 2.724 1.00 0.00 H new HETATM 0 HE DAR E 4 4.654 4.879 2.980 1.00 0.00 H new HETATM 0 HD3 DAR E 4 2.429 4.884 1.368 1.00 0.00 H new HETATM 0 HD2 DAR E 4 1.826 5.630 2.835 1.00 0.00 H new HETATM 0 HB3 DAR E 4 0.306 3.746 2.876 1.00 0.00 H new HETATM 0 HB2 DAR E 4 0.863 2.180 3.433 1.00 0.00 H new HETATM 0 HA DAR E 4 1.457 3.155 0.633 1.00 0.00 H new HETATM 458 N 28J E 5 -0.980 3.145 0.088 1.00 0.00 N HETATM 459 CA 28J E 5 -2.371 3.079 -0.319 1.00 0.00 C HETATM 460 CB 28J E 5 -2.562 2.209 -1.589 1.00 0.00 C HETATM 461 CG2 28J E 5 -1.502 2.529 -2.633 1.00 0.00 C HETATM 462 CG1 28J E 5 -2.528 0.715 -1.231 1.00 0.00 C HETATM 463 CD1 28J E 5 -3.093 -0.191 -2.310 1.00 0.00 C HETATM 464 C 28J E 5 -2.928 4.470 -0.609 1.00 0.00 C HETATM 465 O 28J E 5 -2.169 5.451 -0.695 1.00 0.00 O ATOM 476 N ILE E 6 -4.264 4.567 -0.648 1.00 0.00 N ATOM 477 CA ILE E 6 -4.922 5.825 -1.028 1.00 0.00 C ATOM 478 C ILE E 6 -6.264 5.997 -0.325 1.00 0.00 C ATOM 479 O ILE E 6 -7.007 5.029 -0.126 1.00 0.00 O ATOM 480 CB ILE E 6 -5.063 5.929 -2.596 1.00 0.00 C ATOM 481 CG1 ILE E 6 -6.007 7.049 -3.051 1.00 0.00 C ATOM 482 CG2 ILE E 6 -5.503 4.616 -3.263 1.00 0.00 C ATOM 483 CD1 ILE E 6 -6.217 7.130 -4.542 1.00 0.00 C ATOM 0 H ILE E 6 -4.902 3.803 -0.425 1.00 0.00 H new ATOM 0 HA ILE E 6 -4.289 6.647 -0.695 1.00 0.00 H new ATOM 0 HB ILE E 6 -4.051 6.166 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE E 6 -6.974 6.908 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE E 6 -5.612 8.003 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE E 6 -5.579 4.763 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE E 6 -4.769 3.838 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE E 6 -6.474 4.315 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE E 6 -6.898 7.950 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE E 6 -5.261 7.305 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE E 6 -6.644 6.194 -4.901 1.00 0.00 H new ATOM 495 N SER E 7 -6.537 7.220 0.137 1.00 0.00 N ATOM 496 CA SER E 7 -7.799 7.488 0.803 1.00 0.00 C ATOM 497 C SER E 7 -8.147 8.969 0.801 1.00 0.00 C ATOM 498 O SER E 7 -7.276 9.837 0.927 1.00 0.00 O ATOM 499 CB SER E 7 -7.751 6.996 2.238 1.00 0.00 C ATOM 500 OG SER E 7 -6.458 6.612 2.578 1.00 0.00 O ATOM 0 H SER E 7 -5.910 8.021 0.061 1.00 0.00 H new ATOM 0 HA SER E 7 -8.570 6.955 0.246 1.00 0.00 H new ATOM 0 HB2 SER E 7 -8.092 7.784 2.910 1.00 0.00 H new ATOM 0 HB3 SER E 7 -8.432 6.154 2.363 1.00 0.00 H new ATOM 0 HG SER E 7 -6.443 6.299 3.506 1.00 0.00 H new HETATM 506 N DTH E 8 -9.443 9.242 0.674 1.00 0.00 N HETATM 507 CA DTH E 8 -9.961 10.607 0.690 1.00 0.00 C HETATM 508 CB DTH E 8 -10.183 11.112 2.137 1.00 0.00 C HETATM 509 CG2 DTH E 8 -8.860 11.077 2.878 1.00 0.00 C HETATM 510 OG1 DTH E 8 -11.131 10.287 2.813 1.00 0.00 O HETATM 511 C DTH E 8 -11.363 10.799 0.050 1.00 0.00 C HETATM 512 O DTH E 8 -11.779 11.940 -0.125 1.00 0.00 O HETATM 0 HG23 DTH E 8 -8.481 10.055 2.899 1.00 0.00 H new HETATM 0 HG22 DTH E 8 -8.141 11.720 2.370 1.00 0.00 H new HETATM 0 HG21 DTH E 8 -9.005 11.431 3.899 1.00 0.00 H new HETATM 0 HB DTH E 8 -10.569 12.131 2.106 1.00 0.00 H new HETATM 0 HA DTH E 8 -9.198 11.143 0.125 1.00 0.00 H new ATOM 519 N ALA E 9 -12.102 9.705 -0.205 1.00 0.00 N ATOM 520 CA ALA E 9 -13.498 9.759 -0.685 1.00 0.00 C ATOM 521 C ALA E 9 -14.418 9.778 0.489 1.00 0.00 C ATOM 522 O ALA E 9 -15.069 10.774 0.794 1.00 0.00 O ATOM 523 CB ALA E 9 -13.899 8.528 -1.501 1.00 0.00 C ATOM 0 H ALA E 9 -11.749 8.756 -0.084 1.00 0.00 H new ATOM 0 HA ALA E 9 -13.569 10.651 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA E 9 -14.935 8.628 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA E 9 -13.252 8.444 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA E 9 -13.796 7.634 -0.886 1.00 0.00 H new ATOM 529 N LEU E 10 -14.458 8.628 1.142 1.00 0.00 N ATOM 530 CA LEU E 10 -15.308 8.448 2.306 1.00 0.00 C ATOM 531 C LEU E 10 -14.715 9.199 3.467 1.00 0.00 C ATOM 532 O LEU E 10 -15.421 9.808 4.271 1.00 0.00 O ATOM 533 CB LEU E 10 -15.475 6.965 2.662 1.00 0.00 C ATOM 534 CG LEU E 10 -14.176 6.147 2.759 1.00 0.00 C ATOM 535 CD1 LEU E 10 -13.973 5.660 4.165 1.00 0.00 C ATOM 536 CD2 LEU E 10 -14.160 4.959 1.804 1.00 0.00 C ATOM 0 H LEU E 10 -13.912 7.806 0.885 1.00 0.00 H new ATOM 0 HA LEU E 10 -16.299 8.839 2.076 1.00 0.00 H new ATOM 0 HB2 LEU E 10 -15.997 6.897 3.617 1.00 0.00 H new ATOM 0 HB3 LEU E 10 -16.118 6.502 1.914 1.00 0.00 H new ATOM 0 HG LEU E 10 -13.362 6.813 2.472 1.00 0.00 H new ATOM 0 HD11 LEU E 10 -13.050 5.082 4.220 1.00 0.00 H new ATOM 0 HD12 LEU E 10 -13.908 6.513 4.840 1.00 0.00 H new ATOM 0 HD13 LEU E 10 -14.813 5.030 4.457 1.00 0.00 H new ATOM 0 HD21 LEU E 10 -13.221 4.417 1.914 1.00 0.00 H new ATOM 0 HD22 LEU E 10 -14.992 4.294 2.036 1.00 0.00 H new ATOM 0 HD23 LEU E 10 -14.255 5.315 0.778 1.00 0.00 H new ATOM 548 N ILE E 11 -13.400 9.166 3.540 1.00 0.00 N ATOM 549 CA ILE E 11 -12.712 9.876 4.606 1.00 0.00 C ATOM 550 C ILE E 11 -11.714 10.834 3.991 1.00 0.00 C ATOM 551 O ILE E 11 -11.491 11.960 4.441 1.00 0.00 O ATOM 552 CB ILE E 11 -12.007 8.930 5.617 1.00 0.00 C ATOM 553 CG1 ILE E 11 -11.226 7.820 4.893 1.00 0.00 C ATOM 554 CG2 ILE E 11 -13.043 8.301 6.532 1.00 0.00 C ATOM 555 CD1 ILE E 11 -10.231 7.088 5.777 1.00 0.00 C ATOM 0 H ILE E 11 -12.794 8.667 2.889 1.00 0.00 H new ATOM 0 HA ILE E 11 -13.462 10.421 5.179 1.00 0.00 H new ATOM 0 HB ILE E 11 -11.301 9.522 6.200 1.00 0.00 H new ATOM 0 HG12 ILE E 11 -11.934 7.098 4.485 1.00 0.00 H new ATOM 0 HG13 ILE E 11 -10.693 8.256 4.048 1.00 0.00 H new ATOM 0 HG21 ILE E 11 -12.547 7.638 7.241 1.00 0.00 H new ATOM 0 HG22 ILE E 11 -13.571 9.084 7.076 1.00 0.00 H new ATOM 0 HG23 ILE E 11 -13.755 7.729 5.937 1.00 0.00 H new ATOM 0 HD11 ILE E 11 -9.721 6.321 5.194 1.00 0.00 H new ATOM 0 HD12 ILE E 11 -9.499 7.796 6.164 1.00 0.00 H new ATOM 0 HD13 ILE E 11 -10.758 6.620 6.608 1.00 0.00 H new TER 567 ILE E 11 HETATM 568 N ZAE F 1 -7.844 16.255 0.859 1.00 0.00 N HETATM 569 CA ZAE F 1 -8.277 15.554 -0.399 1.00 0.00 C HETATM 570 C ZAE F 1 -7.754 14.117 -0.447 1.00 0.00 C HETATM 571 O ZAE F 1 -8.386 13.203 0.078 1.00 0.00 O HETATM 572 CB ZAE F 1 -9.806 15.550 -0.513 1.00 0.00 C HETATM 573 CG ZAE F 1 -10.313 15.336 -1.915 1.00 0.00 C HETATM 574 CD1 ZAE F 1 -9.772 16.044 -2.984 1.00 0.00 C HETATM 575 CD2 ZAE F 1 -11.339 14.432 -2.164 1.00 0.00 C HETATM 576 CE1 ZAE F 1 -10.243 15.849 -4.274 1.00 0.00 C HETATM 577 CE2 ZAE F 1 -11.812 14.235 -3.449 1.00 0.00 C HETATM 578 CZ ZAE F 1 -11.267 14.946 -4.505 1.00 0.00 C HETATM 579 C10 ZAE F 1 -8.442 15.629 2.054 1.00 0.00 C HETATM 0 HZ ZAE F 1 -11.644 14.795 -5.517 1.00 0.00 H new HETATM 0 HE2 ZAE F 1 -12.614 13.520 -3.630 1.00 0.00 H new HETATM 0 HE1 ZAE F 1 -9.808 16.405 -5.104 1.00 0.00 H new HETATM 0 HD2 ZAE F 1 -11.776 13.872 -1.337 1.00 0.00 H new HETATM 0 HD1 ZAE F 1 -8.969 16.760 -2.806 1.00 0.00 H new HETATM 0 HB3 ZAE F 1 -10.206 14.767 0.131 1.00 0.00 H new HETATM 0 HB2 ZAE F 1 -10.191 16.499 -0.139 1.00 0.00 H new HETATM 0 HA ZAE F 1 -7.854 16.102 -1.241 1.00 0.00 H new HETATM 0 H13 ZAE F 1 -9.529 15.679 1.986 1.00 0.00 H new HETATM 0 H12 ZAE F 1 -8.130 14.586 2.113 1.00 0.00 H new HETATM 0 H11 ZAE F 1 -8.110 16.158 2.947 1.00 0.00 H new HETATM 0 H ZAE F 1 -7.218 17.060 0.883 1.00 0.00 H new ATOM 593 N ILE F 2 -6.599 13.922 -1.069 1.00 0.00 N ATOM 594 CA ILE F 2 -6.011 12.594 -1.177 1.00 0.00 C ATOM 595 C ILE F 2 -4.956 12.421 -0.087 1.00 0.00 C ATOM 596 O ILE F 2 -4.363 13.400 0.371 1.00 0.00 O ATOM 597 CB ILE F 2 -5.386 12.354 -2.589 1.00 0.00 C ATOM 598 CG1 ILE F 2 -5.699 10.939 -3.107 1.00 0.00 C ATOM 599 CG2 ILE F 2 -3.880 12.603 -2.573 1.00 0.00 C ATOM 600 CD1 ILE F 2 -5.398 10.717 -4.574 1.00 0.00 C ATOM 0 H ILE F 2 -6.052 14.664 -1.505 1.00 0.00 H new ATOM 0 HA ILE F 2 -6.800 11.854 -1.044 1.00 0.00 H new ATOM 0 HB ILE F 2 -5.841 13.069 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE F 2 -5.128 10.219 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE F 2 -6.754 10.729 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE F 2 -3.472 12.428 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE F 2 -3.685 13.633 -2.276 1.00 0.00 H new ATOM 0 HG23 ILE F 2 -3.407 11.925 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE F 2 -5.651 9.692 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE F 2 -5.989 11.408 -5.175 1.00 0.00 H new ATOM 0 HD13 ILE F 2 -4.338 10.890 -4.758 1.00 0.00 H new ATOM 612 N SER F 3 -4.773 11.183 0.366 1.00 0.00 N ATOM 613 CA SER F 3 -3.761 10.881 1.369 1.00 0.00 C ATOM 614 C SER F 3 -3.223 9.469 1.187 1.00 0.00 C ATOM 615 O SER F 3 -3.936 8.555 0.739 1.00 0.00 O ATOM 616 CB SER F 3 -4.266 11.082 2.805 1.00 0.00 C ATOM 617 OG SER F 3 -4.724 12.388 3.057 1.00 0.00 O ATOM 0 H SER F 3 -5.312 10.376 0.054 1.00 0.00 H new ATOM 0 HA SER F 3 -2.951 11.594 1.215 1.00 0.00 H new ATOM 0 HB2 SER F 3 -5.074 10.377 3.000 1.00 0.00 H new ATOM 0 HB3 SER F 3 -3.462 10.846 3.502 1.00 0.00 H new ATOM 0 HG SER F 3 -4.545 12.954 2.277 1.00 0.00 H new HETATM 623 N DAR F 4 -1.969 9.300 1.568 1.00 0.00 N HETATM 624 CA DAR F 4 -1.291 8.029 1.440 1.00 0.00 C HETATM 625 CB DAR F 4 -1.163 7.378 2.797 1.00 0.00 C HETATM 626 CG DAR F 4 -2.496 7.024 3.391 1.00 0.00 C HETATM 627 CD DAR F 4 -2.342 6.002 4.498 1.00 0.00 C HETATM 628 NE DAR F 4 -3.611 5.364 4.791 1.00 0.00 N HETATM 629 CZ DAR F 4 -4.111 4.348 4.102 1.00 0.00 C HETATM 630 NH1 DAR F 4 -5.215 3.750 4.529 1.00 0.00 N HETATM 631 NH2 DAR F 4 -3.544 3.957 2.968 1.00 0.00 N HETATM 632 C DAR F 4 0.090 8.187 0.862 1.00 0.00 C HETATM 633 O DAR F 4 0.858 9.043 1.302 1.00 0.00 O HETATM 0 HH22 DAR F 4 -3.936 3.174 2.445 1.00 0.00 H new HETATM 0 HH21 DAR F 4 -2.716 4.439 2.619 1.00 0.00 H new HETATM 0 HH12 DAR F 4 -5.606 2.967 4.005 1.00 0.00 H new HETATM 0 HH11 DAR F 4 -5.673 4.073 5.382 1.00 0.00 H new HETATM 0 HG3 DAR F 4 -2.973 7.922 3.784 1.00 0.00 H new HETATM 0 HG2 DAR F 4 -3.151 6.629 2.615 1.00 0.00 H new HETATM 0 HE DAR F 4 -4.154 5.720 5.578 1.00 0.00 H new HETATM 0 HD3 DAR F 4 -1.611 5.249 4.205 1.00 0.00 H new HETATM 0 HD2 DAR F 4 -1.958 6.487 5.396 1.00 0.00 H new HETATM 0 HB3 DAR F 4 -0.557 6.476 2.709 1.00 0.00 H new HETATM 0 HB2 DAR F 4 -0.635 8.052 3.472 1.00 0.00 H new HETATM 0 HA DAR F 4 -1.886 7.412 0.767 1.00 0.00 H new HETATM 647 N 28J F 5 0.406 7.360 -0.121 1.00 0.00 N HETATM 648 CA 28J F 5 1.721 7.394 -0.712 1.00 0.00 C HETATM 649 CB 28J F 5 1.782 8.277 -1.984 1.00 0.00 C HETATM 650 CG2 28J F 5 0.498 8.114 -2.783 1.00 0.00 C HETATM 651 CG1 28J F 5 1.981 9.758 -1.621 1.00 0.00 C HETATM 652 CD1 28J F 5 2.305 10.639 -2.813 1.00 0.00 C HETATM 653 C 28J F 5 2.178 5.979 -1.020 1.00 0.00 C HETATM 654 O 28J F 5 1.407 5.016 -0.916 1.00 0.00 O ATOM 665 N ILE F 6 3.457 5.874 -1.317 1.00 0.00 N ATOM 666 CA ILE F 6 4.086 4.620 -1.684 1.00 0.00 C ATOM 667 C ILE F 6 5.446 4.437 -0.982 1.00 0.00 C ATOM 668 O ILE F 6 6.197 5.401 -0.836 1.00 0.00 O ATOM 669 CB ILE F 6 4.241 4.629 -3.225 1.00 0.00 C ATOM 670 CG1 ILE F 6 5.108 3.486 -3.745 1.00 0.00 C ATOM 671 CG2 ILE F 6 4.778 5.982 -3.719 1.00 0.00 C ATOM 672 CD1 ILE F 6 5.272 3.459 -5.220 1.00 0.00 C ATOM 0 H ILE F 6 4.098 6.667 -1.310 1.00 0.00 H new ATOM 0 HA ILE F 6 3.472 3.778 -1.363 1.00 0.00 H new ATOM 0 HB ILE F 6 3.242 4.476 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE F 6 6.093 3.555 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE F 6 4.671 2.540 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE F 6 4.877 5.960 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE F 6 4.086 6.774 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE F 6 5.753 6.173 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE F 6 5.902 2.615 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE F 6 4.295 3.356 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE F 6 5.739 4.386 -5.551 1.00 0.00 H new ATOM 684 N SER F 7 5.721 3.218 -0.471 1.00 0.00 N ATOM 685 CA SER F 7 7.019 2.927 0.163 1.00 0.00 C ATOM 686 C SER F 7 7.399 1.459 0.048 1.00 0.00 C ATOM 687 O SER F 7 6.533 0.569 -0.010 1.00 0.00 O ATOM 688 CB SER F 7 7.049 3.291 1.645 1.00 0.00 C ATOM 689 OG SER F 7 5.752 3.560 2.116 1.00 0.00 O ATOM 0 H SER F 7 5.071 2.432 -0.485 1.00 0.00 H new ATOM 0 HA SER F 7 7.733 3.546 -0.380 1.00 0.00 H new ATOM 0 HB2 SER F 7 7.487 2.473 2.217 1.00 0.00 H new ATOM 0 HB3 SER F 7 7.685 4.163 1.798 1.00 0.00 H new ATOM 0 HG SER F 7 5.697 3.337 3.069 1.00 0.00 H new HETATM 695 N DTH F 8 8.714 1.221 0.031 1.00 0.00 N HETATM 696 CA DTH F 8 9.264 -0.135 -0.027 1.00 0.00 C HETATM 697 CB DTH F 8 9.727 -0.681 1.355 1.00 0.00 C HETATM 698 CG2 DTH F 8 8.614 -0.518 2.371 1.00 0.00 C HETATM 699 OG1 DTH F 8 10.909 -0.005 1.803 1.00 0.00 O HETATM 700 C DTH F 8 10.485 -0.154 -0.963 1.00 0.00 C HETATM 701 O DTH F 8 11.133 -1.182 -1.149 1.00 0.00 O HETATM 0 HG23 DTH F 8 8.361 0.538 2.467 1.00 0.00 H new HETATM 0 HG22 DTH F 8 7.736 -1.073 2.041 1.00 0.00 H new HETATM 0 HG21 DTH F 8 8.944 -0.902 3.336 1.00 0.00 H new HETATM 0 HB DTH F 8 9.963 -1.740 1.247 1.00 0.00 H new HETATM 0 HA DTH F 8 8.456 -0.771 -0.388 1.00 0.00 H new ATOM 708 N ALA F 9 10.792 1.006 -1.548 1.00 0.00 N ATOM 709 CA ALA F 9 11.960 1.150 -2.414 1.00 0.00 C ATOM 710 C ALA F 9 13.244 0.883 -1.634 1.00 0.00 C ATOM 711 O ALA F 9 14.007 -0.019 -1.975 1.00 0.00 O ATOM 712 CB ALA F 9 11.989 2.536 -3.004 1.00 0.00 C ATOM 0 H ALA F 9 10.245 1.860 -1.436 1.00 0.00 H new ATOM 0 HA ALA F 9 11.891 0.419 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA F 9 12.862 2.639 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA F 9 11.084 2.702 -3.589 1.00 0.00 H new ATOM 0 HB3 ALA F 9 12.042 3.272 -2.202 1.00 0.00 H new ATOM 718 N LEU F 10 13.498 1.692 -0.599 1.00 0.00 N ATOM 719 CA LEU F 10 14.678 1.486 0.239 1.00 0.00 C ATOM 720 C LEU F 10 14.328 0.521 1.347 1.00 0.00 C ATOM 721 O LEU F 10 14.917 -0.552 1.485 1.00 0.00 O ATOM 722 CB LEU F 10 15.164 2.791 0.877 1.00 0.00 C ATOM 723 CG LEU F 10 14.269 4.024 0.695 1.00 0.00 C ATOM 724 CD1 LEU F 10 14.168 4.794 1.987 1.00 0.00 C ATOM 725 CD2 LEU F 10 14.742 4.939 -0.437 1.00 0.00 C ATOM 0 H LEU F 10 12.912 2.481 -0.327 1.00 0.00 H new ATOM 0 HA LEU F 10 15.473 1.096 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU F 10 15.293 2.619 1.946 1.00 0.00 H new ATOM 0 HB3 LEU F 10 16.148 3.022 0.470 1.00 0.00 H new ATOM 0 HG LEU F 10 13.282 3.659 0.413 1.00 0.00 H new ATOM 0 HD11 LEU F 10 13.530 5.666 1.842 1.00 0.00 H new ATOM 0 HD12 LEU F 10 13.739 4.155 2.759 1.00 0.00 H new ATOM 0 HD13 LEU F 10 15.162 5.119 2.296 1.00 0.00 H new ATOM 0 HD21 LEU F 10 14.071 5.794 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU F 10 15.752 5.290 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU F 10 14.741 4.386 -1.376 1.00 0.00 H new ATOM 737 N ILE F 11 13.354 0.925 2.139 1.00 0.00 N ATOM 738 CA ILE F 11 12.905 0.092 3.246 1.00 0.00 C ATOM 739 C ILE F 11 11.652 -0.662 2.833 1.00 0.00 C ATOM 740 O ILE F 11 11.341 -1.749 3.333 1.00 0.00 O ATOM 741 CB ILE F 11 12.647 0.914 4.535 1.00 0.00 C ATOM 742 CG1 ILE F 11 11.532 1.946 4.310 1.00 0.00 C ATOM 743 CG2 ILE F 11 13.922 1.624 4.964 1.00 0.00 C ATOM 744 CD1 ILE F 11 10.545 2.045 5.459 1.00 0.00 C ATOM 0 H ILE F 11 12.861 1.813 2.042 1.00 0.00 H new ATOM 0 HA ILE F 11 13.701 -0.615 3.480 1.00 0.00 H new ATOM 0 HB ILE F 11 12.332 0.227 5.321 1.00 0.00 H new ATOM 0 HG12 ILE F 11 11.984 2.924 4.146 1.00 0.00 H new ATOM 0 HG13 ILE F 11 10.990 1.689 3.400 1.00 0.00 H new ATOM 0 HG21 ILE F 11 13.731 2.199 5.870 1.00 0.00 H new ATOM 0 HG22 ILE F 11 14.701 0.887 5.159 1.00 0.00 H new ATOM 0 HG23 ILE F 11 14.249 2.296 4.170 1.00 0.00 H new ATOM 0 HD11 ILE F 11 9.789 2.794 5.225 1.00 0.00 H new ATOM 0 HD12 ILE F 11 10.064 1.079 5.610 1.00 0.00 H new ATOM 0 HD13 ILE F 11 11.073 2.334 6.368 1.00 0.00 H new TER 756 ILE F 11 ATOM 757 N ALA C 1 -8.360 -8.693 9.407 1.00 0.96 N ATOM 758 CA ALA C 1 -9.076 -8.579 10.708 1.00 1.33 C ATOM 759 C ALA C 1 -10.032 -9.682 10.937 1.00 1.47 C ATOM 760 O ALA C 1 -9.820 -10.863 10.519 1.00 2.22 O ATOM 761 CB ALA C 1 -9.866 -7.289 10.708 1.00 1.64 C ATOM 0 H2 ALA C 1 -7.342 -8.538 9.556 1.00 0.96 H new ATOM 0 H3 ALA C 1 -8.511 -9.642 9.010 1.00 0.96 H new ATOM 0 HA ALA C 1 -8.322 -8.612 11.495 1.00 1.33 H new ATOM 0 HB1 ALA C 1 -10.398 -7.188 11.654 1.00 1.64 H new ATOM 0 HB2 ALA C 1 -9.186 -6.446 10.582 1.00 1.64 H new ATOM 0 HB3 ALA C 1 -10.584 -7.302 9.888 1.00 1.64 H new HETATM 767 N DGL C 2 -11.171 -9.364 11.638 1.00 1.40 N HETATM 768 CA DGL C 2 -12.255 -10.385 11.786 1.00 1.77 C HETATM 769 C DGL C 2 -12.324 -11.456 10.580 1.00 2.75 C HETATM 770 O DGL C 2 -12.376 -10.955 9.471 1.00 3.37 O HETATM 771 CB DGL C 2 -11.881 -11.492 12.840 1.00 1.85 C HETATM 772 CG DGL C 2 -10.371 -11.805 12.989 1.00 1.57 C HETATM 773 CD DGL C 2 -10.139 -13.298 13.297 1.00 1.38 C HETATM 774 OE1 DGL C 2 -9.338 -13.613 14.189 1.00 1.94 O HETATM 0 HG3 DGL C 2 -9.849 -11.535 12.071 1.00 1.57 H new HETATM 0 HG2 DGL C 2 -9.948 -11.196 13.788 1.00 1.57 H new HETATM 0 HB3 DGL C 2 -12.266 -11.185 13.812 1.00 1.85 H new HETATM 0 HB2 DGL C 2 -12.398 -12.413 12.569 1.00 1.85 H new HETATM 0 HA DGL C 2 -13.119 -9.742 11.952 1.00 1.77 H new HETATM 0 H2 DGL C 2 -11.048 -8.644 12.350 1.00 1.40 H new ATOM 781 N LYS C 3 -10.841 -14.173 12.612 1.00 1.36 N ATOM 782 CA LYS C 3 -10.744 -15.605 12.806 1.00 1.66 C ATOM 783 C LYS C 3 -11.493 -16.105 14.092 1.00 1.80 C ATOM 784 O LYS C 3 -11.011 -16.007 15.205 1.00 2.55 O ATOM 785 CB LYS C 3 -9.305 -16.055 12.560 1.00 1.94 C ATOM 786 CG LYS C 3 -9.171 -16.539 11.100 1.00 2.15 C ATOM 787 CD LYS C 3 -10.194 -17.648 10.632 1.00 2.64 C ATOM 788 CE LYS C 3 -11.215 -17.245 9.496 1.00 2.86 C ATOM 789 NZ LYS C 3 -12.288 -16.083 9.530 1.00 3.55 N1+ ATOM 0 HA LYS C 3 -11.316 -16.145 12.052 1.00 1.66 H new ATOM 0 HB2 LYS C 3 -8.616 -15.232 12.748 1.00 1.94 H new ATOM 0 HB3 LYS C 3 -9.039 -16.857 13.248 1.00 1.94 H new ATOM 0 HG2 LYS C 3 -9.278 -15.676 10.443 1.00 2.15 H new ATOM 0 HG3 LYS C 3 -8.161 -16.924 10.959 1.00 2.15 H new ATOM 0 HD2 LYS C 3 -9.624 -18.510 10.286 1.00 2.64 H new ATOM 0 HD3 LYS C 3 -10.765 -17.972 11.502 1.00 2.64 H new ATOM 0 HE2 LYS C 3 -10.601 -17.042 8.618 1.00 2.86 H new ATOM 0 HE3 LYS C 3 -11.782 -18.152 9.286 1.00 2.86 H new ATOM 0 HZ1 LYS C 3 -12.555 -15.829 8.558 1.00 3.55 H new ATOM 0 HZ2 LYS C 3 -13.131 -16.404 10.048 1.00 3.55 H new ATOM 0 HZ3 LYS C 3 -11.884 -15.252 10.007 1.00 3.55 H new HETATM 803 N DAL C 4 -12.755 -16.588 13.728 1.00 1.63 N HETATM 804 CA DAL C 4 -13.828 -17.302 14.583 1.00 1.95 C HETATM 805 CB DAL C 4 -13.340 -18.141 15.961 1.00 2.37 C HETATM 806 C DAL C 4 -14.785 -17.855 13.351 1.00 2.54 C HETATM 807 O DAL C 4 -14.855 -19.074 13.006 1.00 2.89 O HETATM 0 HB3 DAL C 4 -12.643 -18.930 15.679 1.00 2.37 H new HETATM 0 HB2 DAL C 4 -12.850 -17.454 16.651 1.00 2.37 H new HETATM 0 HB1 DAL C 4 -14.211 -18.583 16.446 1.00 2.37 H new HETATM 0 HA DAL C 4 -14.434 -16.748 15.300 1.00 1.95 H new HETATM 0 H2 DAL C 4 -13.029 -16.075 12.890 1.00 1.63 H new HETATM 813 N DAL C 5 -15.572 -16.913 12.740 1.00 3.12 N HETATM 814 CA DAL C 5 -16.637 -17.084 11.651 1.00 4.20 C HETATM 815 CB DAL C 5 -17.555 -18.084 12.453 1.00 4.89 C HETATM 816 C DAL C 5 -15.682 -17.711 10.497 1.00 4.93 C HETATM 817 O DAL C 5 -16.068 -18.568 9.723 1.00 5.41 O HETATM 818 OXT DAL C 5 -14.535 -17.064 10.256 1.00 5.04 O HETATM 0 HXT DAL C 5 -14.730 -16.193 9.851 1.00 5.04 H new HETATM 0 HB3 DAL C 5 -16.987 -18.981 12.699 1.00 4.89 H new HETATM 0 HB2 DAL C 5 -17.896 -17.607 13.372 1.00 4.89 H new HETATM 0 HB1 DAL C 5 -18.417 -18.355 11.843 1.00 4.89 H new HETATM 0 HA DAL C 5 -17.245 -16.295 11.209 1.00 4.20 H new TER 824 DAL C 5 ATOM 825 N ALA D 1 16.237 -9.610 -9.211 1.00 0.96 N ATOM 826 CA ALA D 1 17.545 -10.303 -9.365 1.00 1.33 C ATOM 827 C ALA D 1 17.452 -11.502 -10.254 1.00 1.47 C ATOM 828 O ALA D 1 16.891 -11.464 -11.367 1.00 2.22 O ATOM 829 CB ALA D 1 17.997 -10.775 -7.987 1.00 1.64 C ATOM 0 H2 ALA D 1 16.395 -8.586 -9.122 1.00 0.96 H new ATOM 0 H3 ALA D 1 15.644 -9.798 -10.045 1.00 0.96 H new ATOM 0 HA ALA D 1 18.247 -9.600 -9.814 1.00 1.33 H new ATOM 0 HB1 ALA D 1 18.955 -11.287 -8.074 1.00 1.64 H new ATOM 0 HB2 ALA D 1 18.103 -9.916 -7.325 1.00 1.64 H new ATOM 0 HB3 ALA D 1 17.256 -11.460 -7.576 1.00 1.64 H new HETATM 835 N DGL D 2 18.071 -12.665 -9.698 1.00 1.40 N HETATM 836 CA DGL D 2 17.895 -13.943 -10.523 1.00 1.77 C HETATM 837 C DGL D 2 16.421 -14.085 -11.277 1.00 2.75 C HETATM 838 O DGL D 2 16.455 -14.428 -12.546 1.00 3.32 O HETATM 839 CB DGL D 2 18.783 -13.993 -11.746 1.00 1.85 C HETATM 840 CG DGL D 2 18.945 -12.627 -12.537 1.00 1.57 C HETATM 841 CD DGL D 2 18.340 -12.705 -13.963 1.00 1.38 C HETATM 842 OE1 DGL D 2 18.983 -13.257 -14.864 1.00 1.94 O HETATM 0 HG3 DGL D 2 18.459 -11.826 -11.980 1.00 1.57 H new HETATM 0 HG2 DGL D 2 20.002 -12.371 -12.605 1.00 1.57 H new HETATM 0 HB3 DGL D 2 19.772 -14.334 -11.440 1.00 1.85 H new HETATM 0 HB2 DGL D 2 18.385 -14.743 -12.430 1.00 1.85 H new HETATM 0 HA DGL D 2 18.090 -14.697 -9.761 1.00 1.77 H new HETATM 0 H2 DGL D 2 18.945 -12.495 -9.201 1.00 1.40 H new ATOM 849 N LYS D 3 17.133 -12.208 -14.138 1.00 1.36 N ATOM 850 CA LYS D 3 16.436 -12.218 -15.417 1.00 1.66 C ATOM 851 C LYS D 3 15.890 -13.631 -15.829 1.00 1.80 C ATOM 852 O LYS D 3 16.156 -14.145 -16.901 1.00 2.55 O ATOM 853 CB LYS D 3 17.240 -11.409 -16.436 1.00 1.94 C ATOM 854 CG LYS D 3 16.263 -10.626 -17.341 1.00 2.15 C ATOM 855 CD LYS D 3 16.199 -11.068 -18.857 1.00 2.64 C ATOM 856 CE LYS D 3 15.343 -12.352 -19.194 1.00 2.86 C ATOM 857 NZ LYS D 3 14.073 -12.897 -18.424 1.00 3.55 N1+ ATOM 0 HA LYS D 3 15.485 -11.690 -15.344 1.00 1.66 H new ATOM 0 HB2 LYS D 3 17.912 -10.721 -15.924 1.00 1.94 H new ATOM 0 HB3 LYS D 3 17.861 -12.073 -17.038 1.00 1.94 H new ATOM 0 HG2 LYS D 3 15.262 -10.712 -16.918 1.00 2.15 H new ATOM 0 HG3 LYS D 3 16.535 -9.571 -17.304 1.00 2.15 H new ATOM 0 HD2 LYS D 3 15.802 -10.234 -19.436 1.00 2.64 H new ATOM 0 HD3 LYS D 3 17.218 -11.240 -19.203 1.00 2.64 H new ATOM 0 HE2 LYS D 3 15.015 -12.215 -20.224 1.00 2.86 H new ATOM 0 HE3 LYS D 3 16.054 -13.178 -19.193 1.00 2.86 H new ATOM 0 HZ1 LYS D 3 14.343 -13.720 -17.848 1.00 3.55 H new ATOM 0 HZ2 LYS D 3 13.695 -12.151 -17.806 1.00 3.55 H new ATOM 0 HZ3 LYS D 3 13.345 -13.179 -19.111 1.00 3.55 H new HETATM 871 N DAL D 4 15.134 -14.158 -14.777 1.00 1.63 N HETATM 872 CA DAL D 4 14.279 -15.445 -14.716 1.00 1.95 C HETATM 873 CB DAL D 4 15.059 -16.934 -14.597 1.00 2.37 C HETATM 874 C DAL D 4 13.104 -15.003 -15.798 1.00 2.54 C HETATM 875 O DAL D 4 13.145 -15.283 -17.035 1.00 2.89 O HETATM 0 HB3 DAL D 4 15.707 -17.075 -15.462 1.00 2.37 H new HETATM 0 HB2 DAL D 4 15.658 -16.959 -13.687 1.00 2.37 H new HETATM 0 HB1 DAL D 4 14.317 -17.732 -14.565 1.00 2.37 H new HETATM 0 HA DAL D 4 13.818 -15.768 -13.783 1.00 1.95 H new HETATM 881 N DAL D 5 12.017 -14.357 -15.268 1.00 3.12 N HETATM 882 CA DAL D 5 10.722 -13.903 -15.947 1.00 4.20 C HETATM 883 CB DAL D 5 10.195 -15.342 -16.314 1.00 4.89 C HETATM 884 C DAL D 5 11.383 -13.021 -17.140 1.00 4.93 C HETATM 885 O DAL D 5 11.104 -13.198 -18.311 1.00 5.41 O HETATM 886 OXT DAL D 5 12.041 -11.913 -16.772 1.00 5.04 O HETATM 0 HXT DAL D 5 11.814 -11.180 -17.381 1.00 5.04 H new HETATM 0 HB3 DAL D 5 10.915 -15.839 -16.964 1.00 4.89 H new HETATM 0 HB2 DAL D 5 10.066 -15.926 -15.403 1.00 4.89 H new HETATM 0 HB1 DAL D 5 9.238 -15.259 -16.830 1.00 4.89 H new HETATM 0 HA DAL D 5 9.921 -13.322 -15.490 1.00 4.20 H new TER 892 DAL D 5 ATOM 893 N ALA G 1 -14.131 0.027 -3.006 1.00 0.96 N ATOM 894 CA ALA G 1 -14.923 -1.107 -2.461 1.00 1.33 C ATOM 895 C ALA G 1 -16.418 -0.844 -2.572 1.00 1.47 C ATOM 896 O ALA G 1 -17.001 -0.613 -3.648 1.00 2.22 O ATOM 897 CB ALA G 1 -14.583 -1.268 -1.001 1.00 1.64 C ATOM 0 H2 ALA G 1 -13.386 -0.339 -3.633 1.00 0.96 H new ATOM 0 H3 ALA G 1 -14.756 0.660 -3.545 1.00 0.96 H new ATOM 0 HA ALA G 1 -14.681 -2.003 -3.033 1.00 1.33 H new ATOM 0 HB1 ALA G 1 -15.155 -2.096 -0.583 1.00 1.64 H new ATOM 0 HB2 ALA G 1 -13.518 -1.473 -0.896 1.00 1.64 H new ATOM 0 HB3 ALA G 1 -14.830 -0.351 -0.467 1.00 1.64 H new HETATM 903 N DGL G 2 -17.090 -1.062 -1.418 1.00 1.40 N HETATM 904 CA DGL G 2 -18.536 -0.671 -1.229 1.00 1.77 C HETATM 905 C DGL G 2 -18.888 0.551 -2.147 1.00 2.75 C HETATM 906 O DGL G 2 -19.736 0.490 -2.979 1.00 3.32 O HETATM 907 CB DGL G 2 -19.463 -1.809 -1.875 1.00 1.85 C HETATM 908 CG DGL G 2 -18.813 -2.591 -3.063 1.00 1.57 C HETATM 909 CD DGL G 2 -19.585 -2.346 -4.348 1.00 1.38 C HETATM 910 OE1 DGL G 2 -20.472 -3.143 -4.696 1.00 1.94 O HETATM 0 HG3 DGL G 2 -17.777 -2.277 -3.189 1.00 1.57 H new HETATM 0 HG2 DGL G 2 -18.798 -3.658 -2.839 1.00 1.57 H new HETATM 0 HB3 DGL G 2 -19.735 -2.521 -1.096 1.00 1.85 H new HETATM 0 HB2 DGL G 2 -20.388 -1.349 -2.224 1.00 1.85 H new HETATM 0 HA DGL G 2 -18.684 -0.490 -0.164 1.00 1.77 H new HETATM 0 H2 DGL G 2 -16.700 -1.843 -0.891 1.00 1.40 H new ATOM 917 N LYS G 3 -19.279 -1.267 -5.020 1.00 1.36 N ATOM 918 CA LYS G 3 -19.937 -0.888 -6.244 1.00 1.66 C ATOM 919 C LYS G 3 -21.443 -0.518 -6.017 1.00 1.80 C ATOM 920 O LYS G 3 -22.280 -0.647 -6.889 1.00 2.55 O ATOM 921 CB LYS G 3 -19.559 -1.879 -7.340 1.00 1.94 C ATOM 922 CG LYS G 3 -19.064 -1.097 -8.576 1.00 2.15 C ATOM 923 CD LYS G 3 -20.180 -0.422 -9.466 1.00 2.64 C ATOM 924 CE LYS G 3 -20.485 1.103 -9.192 1.00 2.86 C ATOM 925 NZ LYS G 3 -21.622 1.713 -8.278 1.00 3.55 N1+ ATOM 0 HA LYS G 3 -19.576 0.064 -6.632 1.00 1.66 H new ATOM 0 HB2 LYS G 3 -18.780 -2.554 -6.985 1.00 1.94 H new ATOM 0 HB3 LYS G 3 -20.419 -2.495 -7.604 1.00 1.94 H new ATOM 0 HG2 LYS G 3 -18.379 -0.320 -8.238 1.00 2.15 H new ATOM 0 HG3 LYS G 3 -18.489 -1.777 -9.204 1.00 2.15 H new ATOM 0 HD2 LYS G 3 -19.891 -0.528 -10.512 1.00 2.64 H new ATOM 0 HD3 LYS G 3 -21.105 -0.983 -9.333 1.00 2.64 H new ATOM 0 HE2 LYS G 3 -19.554 1.515 -8.803 1.00 2.86 H new ATOM 0 HE3 LYS G 3 -20.642 1.544 -10.176 1.00 2.86 H new ATOM 0 HZ1 LYS G 3 -22.185 2.392 -8.830 1.00 3.55 H new ATOM 0 HZ2 LYS G 3 -22.239 0.949 -7.936 1.00 3.55 H new ATOM 0 HZ3 LYS G 3 -21.191 2.200 -7.466 1.00 3.55 H new HETATM 939 N DAL G 4 -21.624 -0.133 -4.682 1.00 1.63 N HETATM 940 CA DAL G 4 -22.874 0.440 -3.980 1.00 1.95 C HETATM 941 CB DAL G 4 -24.333 -0.399 -4.105 1.00 2.37 C HETATM 942 C DAL G 4 -22.603 2.042 -4.288 1.00 2.54 C HETATM 943 O DAL G 4 -23.504 2.848 -4.676 1.00 2.89 O HETATM 0 HB3 DAL G 4 -24.619 -0.478 -5.154 1.00 2.37 H new HETATM 0 HB2 DAL G 4 -24.215 -1.398 -3.685 1.00 2.37 H new HETATM 0 HB1 DAL G 4 -25.109 0.136 -3.557 1.00 2.37 H new HETATM 0 HA DAL G 4 -23.037 0.290 -2.913 1.00 1.95 H new HETATM 949 N DAL G 5 -21.331 2.489 -4.041 1.00 3.12 N HETATM 950 CA DAL G 5 -20.760 3.907 -4.117 1.00 4.20 C HETATM 951 CB DAL G 5 -21.681 4.532 -3.002 1.00 4.89 C HETATM 952 C DAL G 5 -21.138 4.223 -5.665 1.00 4.93 C HETATM 953 O DAL G 5 -20.635 3.389 -6.586 1.00 5.04 O HETATM 954 OXT DAL G 5 -21.633 5.279 -6.011 1.00 5.41 O HETATM 0 HB3 DAL G 5 -22.726 4.431 -3.295 1.00 4.89 H new HETATM 0 HB2 DAL G 5 -21.516 4.010 -2.059 1.00 4.89 H new HETATM 0 HB1 DAL G 5 -21.439 5.588 -2.880 1.00 4.89 H new HETATM 0 HA DAL G 5 -19.724 4.199 -3.947 1.00 4.20 H new TER 960 DAL G 5 ATOM 961 N ALA H 1 10.949 10.555 4.937 1.00 0.96 N ATOM 962 CA ALA H 1 11.760 10.745 6.169 1.00 1.33 C ATOM 963 C ALA H 1 13.205 10.981 5.865 1.00 1.47 C ATOM 964 O ALA H 1 13.564 11.774 4.937 1.00 2.22 O ATOM 965 CB ALA H 1 11.670 9.493 7.005 1.00 1.64 C ATOM 0 H2 ALA H 1 10.043 11.057 5.037 1.00 0.96 H new ATOM 0 H3 ALA H 1 11.467 10.935 4.119 1.00 0.96 H new ATOM 0 HA ALA H 1 11.366 11.618 6.690 1.00 1.33 H new ATOM 0 HB1 ALA H 1 12.261 9.618 7.913 1.00 1.64 H new ATOM 0 HB2 ALA H 1 10.630 9.308 7.272 1.00 1.64 H new ATOM 0 HB3 ALA H 1 12.055 8.647 6.436 1.00 1.64 H new HETATM 971 N DGL H 2 14.151 10.330 6.705 1.00 1.40 N HETATM 972 CA DGL H 2 15.553 10.412 6.299 1.00 1.77 C HETATM 973 C DGL H 2 16.012 10.500 4.811 1.00 2.75 C HETATM 974 O DGL H 2 15.508 9.575 4.095 1.00 3.37 O HETATM 975 CB DGL H 2 16.175 11.848 6.673 1.00 1.85 C HETATM 976 CG DGL H 2 15.178 13.009 6.980 1.00 1.57 C HETATM 977 CD DGL H 2 15.376 14.196 6.015 1.00 1.38 C HETATM 978 OE1 DGL H 2 15.720 15.299 6.469 1.00 1.94 O HETATM 0 HG3 DGL H 2 14.155 12.642 6.901 1.00 1.57 H new HETATM 0 HG2 DGL H 2 15.317 13.347 8.007 1.00 1.57 H new HETATM 0 HB3 DGL H 2 16.819 11.719 7.543 1.00 1.85 H new HETATM 0 HB2 DGL H 2 16.814 12.163 5.848 1.00 1.85 H new HETATM 0 HA DGL H 2 15.846 9.472 6.766 1.00 1.77 H new HETATM 0 H2 DGL H 2 13.909 10.274 7.694 1.00 1.40 H new ATOM 985 N LYS H 3 15.201 13.967 4.734 1.00 1.36 N ATOM 986 CA LYS H 3 15.368 14.977 3.708 1.00 1.66 C ATOM 987 C LYS H 3 16.868 15.373 3.476 1.00 1.80 C ATOM 988 O LYS H 3 17.249 16.529 3.511 1.00 2.55 O ATOM 989 CB LYS H 3 14.325 16.077 3.899 1.00 1.94 C ATOM 990 CG LYS H 3 14.104 16.802 2.554 1.00 2.15 C ATOM 991 CD LYS H 3 14.350 18.363 2.548 1.00 2.64 C ATOM 992 CE LYS H 3 15.595 18.887 1.729 1.00 2.86 C ATOM 993 NZ LYS H 3 16.925 18.104 1.385 1.00 3.55 N1+ ATOM 0 HA LYS H 3 15.139 14.579 2.719 1.00 1.66 H new ATOM 0 HB2 LYS H 3 13.388 15.649 4.254 1.00 1.94 H new ATOM 0 HB3 LYS H 3 14.659 16.785 4.657 1.00 1.94 H new ATOM 0 HG2 LYS H 3 14.760 16.350 1.810 1.00 2.15 H new ATOM 0 HG3 LYS H 3 13.080 16.616 2.230 1.00 2.15 H new ATOM 0 HD2 LYS H 3 13.456 18.846 2.153 1.00 2.64 H new ATOM 0 HD3 LYS H 3 14.460 18.693 3.581 1.00 2.64 H new ATOM 0 HE2 LYS H 3 15.192 19.202 0.767 1.00 2.86 H new ATOM 0 HE3 LYS H 3 15.920 19.788 2.249 1.00 2.86 H new ATOM 0 HZ1 LYS H 3 17.563 18.724 0.847 1.00 3.55 H new ATOM 0 HZ2 LYS H 3 17.391 17.808 2.266 1.00 3.55 H new ATOM 0 HZ3 LYS H 3 16.696 17.264 0.816 1.00 3.55 H new HETATM 1007 N DAL H 4 17.629 14.211 3.301 1.00 1.63 N HETATM 1008 CA DAL H 4 19.117 14.047 2.918 1.00 1.95 C HETATM 1009 CB DAL H 4 20.268 14.001 4.149 1.00 2.37 C HETATM 1010 C DAL H 4 19.122 15.001 1.566 1.00 2.54 C HETATM 1011 O DAL H 4 19.495 16.215 1.561 1.00 2.89 O HETATM 0 HB3 DAL H 4 20.230 14.930 4.718 1.00 2.37 H new HETATM 0 HB2 DAL H 4 20.059 13.161 4.811 1.00 2.37 H new HETATM 0 HB1 DAL H 4 21.261 13.882 3.715 1.00 2.37 H new HETATM 0 HA DAL H 4 19.531 13.068 2.678 1.00 1.95 H new HETATM 1017 N DAL H 5 18.753 14.382 0.401 1.00 3.12 N HETATM 1018 CA DAL H 5 18.740 14.924 -1.031 1.00 4.20 C HETATM 1019 CB DAL H 5 20.303 15.053 -1.192 1.00 4.89 C HETATM 1020 C DAL H 5 17.899 16.287 -0.757 1.00 4.93 C HETATM 1021 O DAL H 5 18.260 17.367 -1.179 1.00 5.41 O HETATM 1022 OXT DAL H 5 16.654 16.138 -0.283 1.00 5.04 O HETATM 0 HXT DAL H 5 16.015 16.538 -0.910 1.00 5.04 H new HETATM 0 HB3 DAL H 5 20.691 15.736 -0.437 1.00 4.89 H new HETATM 0 HB2 DAL H 5 20.764 14.073 -1.067 1.00 4.89 H new HETATM 0 HB1 DAL H 5 20.536 15.439 -2.184 1.00 4.89 H new HETATM 0 HA DAL H 5 18.319 14.429 -1.906 1.00 4.20 H new TER 1028 DAL H 5 HETATM 1029 P 2PO A 101 -11.231 -6.355 2.973 1.00 0.92 P HETATM 1030 O1P 2PO A 101 -12.263 -7.404 3.197 1.00 1.05 O1- HETATM 1031 O2P 2PO A 101 -11.568 -4.978 3.398 1.00 1.19 O HETATM 1032 O3P 2PO A 101 -10.883 -6.340 1.423 1.00 1.06 O HETATM 1033 P 2PO A 102 -9.425 -5.864 0.986 1.00 0.99 P HETATM 1034 O1P 2PO A 102 -9.354 -4.390 1.105 1.00 1.29 O1- HETATM 1035 O2P 2PO A 102 -8.426 -6.689 1.706 1.00 1.40 O HETATM 1036 O3P 2PO A 102 -9.368 -6.256 -0.559 1.00 1.15 O HETATM 1037 C1 P1W A 103 -10.475 -5.974 -1.410 1.00 1.01 C HETATM 1038 C2 P1W A 103 -9.964 -5.708 -2.804 1.00 0.95 C HETATM 1039 C3 P1W A 103 -10.718 -5.452 -3.881 1.00 1.17 C HETATM 1040 C4 P1W A 103 -10.043 -5.190 -5.206 1.00 1.61 C HETATM 1041 C5 P1W A 103 -12.243 -5.380 -3.862 1.00 1.31 C HETATM 1050 C1 P1W A 104 -9.912 -3.710 -5.517 1.00 1.15 C HETATM 1051 C2 P1W A 104 -9.623 -3.546 -6.975 1.00 1.38 C HETATM 1052 C3 P1W A 104 -8.545 -2.911 -7.436 1.00 1.66 C HETATM 1053 C4 P1W A 104 -8.279 -2.711 -8.903 1.00 1.93 C HETATM 1054 C5 P1W A 104 -7.450 -2.361 -6.523 1.00 2.53 C HETATM 1063 C1 P1W A 105 3.219 -9.523 -8.237 1.00 1.15 C HETATM 1064 C2 P1W A 105 2.455 -8.845 -9.352 1.00 1.38 C HETATM 1065 C3 P1W A 105 2.107 -9.457 -10.506 1.00 1.66 C HETATM 1066 C4 P1W A 105 1.351 -8.762 -11.611 1.00 1.93 C HETATM 1067 C5 P1W A 105 2.418 -10.920 -10.810 1.00 2.53 C HETATM 1076 C1 P1W A 106 -9.184 -1.611 -9.477 1.00 2.50 C HETATM 1077 C2 P1W A 106 -8.657 -0.239 -9.150 1.00 3.14 C HETATM 1078 C3 P1W A 106 -8.138 0.632 -10.044 1.00 3.84 C HETATM 1079 C4 P1W A 106 -7.633 2.024 -9.647 1.00 4.24 C HETATM 1080 C5 P1W A 106 -7.997 0.321 -11.527 1.00 4.81 C HETATM 1090 C1 P1W A 107 2.259 -8.509 -12.817 1.00 2.50 C HETATM 1091 C2 P1W A 107 1.832 -7.273 -13.556 1.00 3.14 C HETATM 1092 C3 P1W A 107 2.631 -6.222 -13.838 1.00 3.84 C HETATM 1093 C4 P1W A 107 2.137 -4.990 -14.603 1.00 4.24 C HETATM 1094 C5 P1W A 107 4.098 -6.157 -13.431 1.00 4.81 C HETATM 1104 P 2PO B 101 10.122 -11.359 -5.184 1.00 0.92 P HETATM 1105 O1P 2PO B 101 8.862 -12.125 -5.349 1.00 1.05 O1- HETATM 1106 O2P 2PO B 101 11.342 -12.132 -4.821 1.00 1.19 O HETATM 1107 O3P 2PO B 101 9.889 -10.215 -4.070 1.00 1.06 O HETATM 1108 P 2PO B 102 9.343 -8.731 -4.379 1.00 0.99 P HETATM 1109 O1P 2PO B 102 9.769 -7.856 -3.258 1.00 1.29 O1- HETATM 1110 O2P 2PO B 102 9.760 -8.331 -5.752 1.00 1.40 O HETATM 1111 O3P 2PO B 102 7.760 -8.856 -4.336 1.00 1.15 O HETATM 1112 C1 P1W B 103 7.107 -9.822 -5.168 1.00 1.01 C HETATM 1113 C2 P1W B 103 6.114 -9.120 -6.074 1.00 0.95 C HETATM 1114 C3 P1W B 103 5.501 -9.646 -7.150 1.00 1.17 C HETATM 1115 C4 P1W B 103 4.531 -8.790 -7.938 1.00 1.61 C HETATM 1116 C5 P1W B 103 5.684 -11.088 -7.646 1.00 1.31 C HETATM 1125 P 2PO E 101 -11.355 6.394 0.042 1.00 0.92 P HETATM 1126 O1P 2PO E 101 -12.318 7.215 0.817 1.00 1.05 O1- HETATM 1127 O2P 2PO E 101 -10.857 5.162 0.672 1.00 1.19 O HETATM 1128 O3P 2PO E 101 -10.101 7.302 -0.333 1.00 1.06 O HETATM 1129 P 2PO E 102 -9.824 7.747 -1.836 1.00 0.99 P HETATM 1130 O1P 2PO E 102 -8.586 8.623 -1.826 1.00 1.29 O1- HETATM 1131 O2P 2PO E 102 -9.844 6.546 -2.696 1.00 1.40 O HETATM 1132 O3P 2PO E 102 -11.127 8.611 -2.160 1.00 1.15 O HETATM 1133 C1 P1W E 103 -11.076 9.747 -3.011 1.00 1.01 C HETATM 1134 C2 P1W E 103 -10.685 9.344 -4.416 1.00 0.95 C HETATM 1135 C3 P1W E 103 -10.140 10.189 -5.303 1.00 1.17 C HETATM 1136 C4 P1W E 103 -9.741 9.760 -6.704 1.00 1.61 C HETATM 1137 C5 P1W E 103 -9.894 11.647 -4.980 1.00 1.31 C HETATM 1146 P 2PO F 101 10.559 4.081 1.378 1.00 0.92 P HETATM 1147 O1P 2PO F 101 11.754 4.015 2.261 1.00 1.05 O1- HETATM 1148 O2P 2PO F 101 9.547 3.021 1.560 1.00 1.19 O HETATM 1149 O3P 2PO F 101 11.065 4.083 -0.137 1.00 1.06 O HETATM 1150 P 2PO F 102 10.057 4.481 -1.324 1.00 0.99 P HETATM 1151 O1P 2PO F 102 9.314 3.259 -1.714 1.00 1.29 O1- HETATM 1152 O2P 2PO F 102 9.288 5.673 -0.909 1.00 1.40 O HETATM 1153 O3P 2PO F 102 11.026 4.912 -2.526 1.00 1.15 O HETATM 1154 C1 P1W F 103 10.870 6.171 -3.208 1.00 1.01 C HETATM 1155 C2 P1W F 103 9.617 6.148 -4.060 1.00 0.95 C HETATM 1156 C3 P1W F 103 9.416 5.390 -5.163 1.00 1.17 C HETATM 1157 C4 P1W F 103 8.089 5.470 -5.892 1.00 1.61 C HETATM 1158 C5 P1W F 103 10.441 4.412 -5.734 1.00 1.31 C HETATM 1167 C1 P1W F 104 -10.518 10.557 -7.763 1.00 1.15 C HETATM 1168 C2 P1W F 104 -10.801 9.702 -8.981 1.00 1.38 C HETATM 1169 C3 P1W F 104 -9.893 9.469 -9.959 1.00 1.66 C HETATM 1170 C4 P1W F 104 -10.185 8.624 -11.176 1.00 1.93 C HETATM 1171 C5 P1W F 104 -8.467 10.015 -9.926 1.00 2.53 C HETATM 1180 C1 P1W F 105 8.141 6.348 -7.138 1.00 1.15 C HETATM 1181 C2 P1W F 105 8.028 7.784 -6.737 1.00 1.38 C HETATM 1182 C3 P1W F 105 8.986 8.684 -6.965 1.00 1.66 C HETATM 1183 C4 P1W F 105 8.882 10.118 -6.526 1.00 1.93 C HETATM 1184 C5 P1W F 105 10.268 8.357 -7.729 1.00 2.53 C HETATM 1193 C1 P1W F 106 -11.036 9.388 -12.197 1.00 2.50 C HETATM 1194 C2 P1W F 106 -10.206 10.376 -12.962 1.00 3.14 C HETATM 1195 C3 P1W F 106 -10.263 11.720 -12.826 1.00 3.84 C HETATM 1196 C4 P1W F 106 -9.369 12.669 -13.633 1.00 4.24 C HETATM 1197 C5 P1W F 106 -11.217 12.427 -11.873 1.00 4.81 C HETATM 1207 C1 P1W F 107 9.406 10.291 -5.092 1.00 2.50 C HETATM 1208 C2 P1W F 107 10.900 10.480 -5.075 1.00 3.14 C HETATM 1209 C3 P1W F 107 11.537 11.668 -5.173 1.00 3.84 C HETATM 1210 C4 P1W F 107 13.064 11.790 -5.134 1.00 4.24 C HETATM 1211 C5 P1W F 107 10.810 12.995 -5.336 1.00 4.81 C HETATM 1221 C1 MUB C 101 -9.709 -7.411 4.903 1.00 0.78 C HETATM 1222 C2 MUB C 101 -8.279 -7.892 5.102 1.00 0.77 C HETATM 1223 C3 MUB C 101 -8.264 -9.112 6.072 1.00 0.81 C HETATM 1224 C4 MUB C 101 -9.519 -9.183 6.991 1.00 0.87 C HETATM 1225 C5 MUB C 101 -10.820 -9.184 6.199 1.00 1.10 C HETATM 1226 C6 MUB C 101 -11.910 -8.407 6.925 1.00 1.28 C HETATM 1227 C7 MUB C 101 -7.771 -9.469 3.362 1.00 1.81 C HETATM 1228 C8 MUB C 101 -7.104 -9.828 2.082 1.00 2.83 C HETATM 1229 C9 MUB C 101 -6.847 -7.897 7.587 1.00 0.89 C HETATM 1230 C10 MUB C 101 -7.498 -7.718 8.965 1.00 1.09 C HETATM 1231 C11 MUB C 101 -5.795 -6.876 7.048 1.00 1.18 C HETATM 1232 O1 MUB C 101 -9.802 -6.782 3.660 1.00 0.93 O HETATM 1233 O3 MUB C 101 -7.042 -9.134 6.878 1.00 0.86 O HETATM 1234 O4 MUB C 101 -9.383 -10.348 7.837 1.00 1.10 O HETATM 1235 O5 MUB C 101 -10.604 -8.564 4.908 1.00 1.05 O HETATM 1236 O6 MUB C 101 -11.877 -8.703 8.311 1.00 1.13 O HETATM 1237 O7 MUB C 101 -8.421 -10.320 3.974 1.00 2.24 O HETATM 1238 O10 MUB C 101 -7.154 -6.750 9.668 1.00 1.68 O HETATM 1239 N2 MUB C 101 -7.630 -8.240 3.851 1.00 1.07 N HETATM 0 H113 MUB C 101 -6.248 -5.887 6.984 1.00 1.18 H new HETATM 0 H112 MUB C 101 -4.942 -6.841 7.725 1.00 1.18 H new HETATM 0 H111 MUB C 101 -5.460 -7.187 6.058 1.00 1.18 H new HETATM 0 HO6 MUB C 101 -12.160 -9.630 8.454 1.00 1.13 H new HETATM 0 HN2 MUB C 101 -7.071 -7.548 3.351 1.00 1.07 H new HETATM 0 H9 MUB C 101 -7.639 -7.276 7.168 1.00 0.89 H new HETATM 0 H83 MUB C 101 -6.389 -10.632 2.257 1.00 2.83 H new HETATM 0 H82 MUB C 101 -7.853 -10.158 1.362 1.00 2.83 H new HETATM 0 H81 MUB C 101 -6.581 -8.957 1.688 1.00 2.83 H new HETATM 0 H62 MUB C 101 -11.770 -7.337 6.770 1.00 1.28 H new HETATM 0 H61 MUB C 101 -12.886 -8.663 6.513 1.00 1.28 H new HETATM 0 H5 MUB C 101 -11.137 -10.220 6.083 1.00 1.10 H new HETATM 0 H4A MUB C 101 -9.573 -8.287 7.610 1.00 0.87 H new HETATM 0 H3 MUB C 101 -8.287 -9.997 5.436 1.00 0.81 H new HETATM 0 H2 MUB C 101 -7.714 -7.066 5.535 1.00 0.77 H new HETATM 0 H1 MUB C 101 -9.983 -6.720 5.700 1.00 0.78 H new HETATM 1256 C1 NAG C 102 -9.129 -11.571 7.134 1.00 0.84 C HETATM 1257 C2 NAG C 102 -9.140 -12.722 8.113 1.00 0.94 C HETATM 1258 C3 NAG C 102 -8.866 -14.034 7.392 1.00 1.41 C HETATM 1259 C4 NAG C 102 -9.799 -14.176 6.181 1.00 2.01 C HETATM 1260 C5 NAG C 102 -9.769 -12.921 5.313 1.00 2.01 C HETATM 1261 C6 NAG C 102 -10.767 -12.975 4.160 1.00 2.85 C HETATM 1262 C7 NAG C 102 -6.857 -12.286 8.875 1.00 1.57 C HETATM 1263 C8 NAG C 102 -5.898 -12.040 10.019 1.00 2.06 C HETATM 1264 N2 NAG C 102 -8.156 -12.491 9.153 1.00 1.16 N HETATM 1265 O3 NAG C 102 -9.078 -15.119 8.283 1.00 1.60 O HETATM 1266 O4 NAG C 102 -9.386 -15.288 5.392 1.00 2.71 O HETATM 1267 O5 NAG C 102 -10.085 -11.768 6.095 1.00 1.51 O HETATM 1268 O6 NAG C 102 -10.752 -11.778 3.390 1.00 3.23 O HETATM 1269 O7 NAG C 102 -6.411 -12.411 7.727 1.00 2.31 O HETATM 0 HO6 NAG C 102 -9.948 -11.260 3.606 1.00 3.23 H new HETATM 0 HO4 NAG C 102 -10.129 -15.580 4.824 1.00 2.71 H new HETATM 0 HO3 NAG C 102 -8.903 -15.963 7.818 1.00 1.60 H new HETATM 0 HN2 NAG C 102 -8.459 -12.484 10.127 1.00 1.16 H new HETATM 0 H83 NAG C 102 -6.206 -11.150 10.567 1.00 2.06 H new HETATM 0 H82 NAG C 102 -5.904 -12.899 10.690 1.00 2.06 H new HETATM 0 H81 NAG C 102 -4.892 -11.894 9.625 1.00 2.06 H new HETATM 0 H62 NAG C 102 -10.534 -13.824 3.517 1.00 2.85 H new HETATM 0 H61 NAG C 102 -11.769 -13.141 4.555 1.00 2.85 H new HETATM 0 H5 NAG C 102 -8.759 -12.864 4.906 1.00 2.01 H new HETATM 0 H4 NAG C 102 -10.814 -14.325 6.550 1.00 2.01 H new HETATM 0 H3 NAG C 102 -7.832 -14.040 7.047 1.00 1.41 H new HETATM 0 H2 NAG C 102 -10.126 -12.789 8.573 1.00 0.94 H new HETATM 1284 C1 MUB D 101 11.658 -10.671 -7.156 1.00 0.78 C HETATM 1285 C2 MUB D 101 12.189 -9.300 -7.572 1.00 0.77 C HETATM 1286 C3 MUB D 101 12.884 -9.437 -8.957 1.00 0.81 C HETATM 1287 C4 MUB D 101 13.723 -10.720 -9.094 1.00 0.87 C HETATM 1288 C5 MUB D 101 12.850 -11.947 -8.823 1.00 1.10 C HETATM 1289 C6 MUB D 101 13.494 -12.820 -7.748 1.00 1.28 C HETATM 1290 C7 MUB D 101 10.473 -8.091 -8.727 1.00 1.81 C HETATM 1291 C8 MUB D 101 9.473 -6.989 -8.802 1.00 2.83 C HETATM 1292 C9 MUB D 101 14.653 -7.947 -8.267 1.00 0.89 C HETATM 1293 C10 MUB D 101 16.059 -8.546 -8.375 1.00 1.09 C HETATM 1294 C11 MUB D 101 14.324 -6.838 -7.220 1.00 1.18 C HETATM 1295 O1 MUB D 101 10.408 -10.565 -6.558 1.00 0.93 O HETATM 1296 O3 MUB D 101 13.686 -8.253 -9.284 1.00 0.86 O HETATM 1297 O4 MUB D 101 14.303 -10.733 -10.415 1.00 1.10 O HETATM 1298 O5 MUB D 101 11.568 -11.522 -8.325 1.00 1.05 O HETATM 1299 O6 MUB D 101 14.674 -13.430 -8.256 1.00 1.13 O HETATM 1300 O7 MUB D 101 10.471 -8.957 -9.605 1.00 2.24 O HETATM 1301 O10 MUB D 101 17.001 -7.994 -7.769 1.00 1.68 O HETATM 1302 N2 MUB D 101 11.188 -8.251 -7.619 1.00 1.07 N HETATM 0 H113 MUB D 101 14.512 -7.218 -6.216 1.00 1.18 H new HETATM 0 H112 MUB D 101 14.954 -5.967 -7.402 1.00 1.18 H new HETATM 0 H111 MUB D 101 13.276 -6.553 -7.309 1.00 1.18 H new HETATM 0 HO6 MUB D 101 15.081 -13.986 -7.559 1.00 1.13 H new HETATM 0 HN2 MUB D 101 11.035 -7.645 -6.813 1.00 1.07 H new HETATM 0 H9 MUB D 101 14.417 -8.697 -7.512 1.00 0.89 H new HETATM 0 H83 MUB D 101 9.609 -6.437 -9.732 1.00 2.83 H new HETATM 0 H82 MUB D 101 8.467 -7.408 -8.772 1.00 2.83 H new HETATM 0 H81 MUB D 101 9.611 -6.315 -7.957 1.00 2.83 H new HETATM 0 H62 MUB D 101 13.735 -12.215 -6.874 1.00 1.28 H new HETATM 0 H61 MUB D 101 12.791 -13.586 -7.421 1.00 1.28 H new HETATM 0 H5 MUB D 101 12.742 -12.507 -9.752 1.00 1.10 H new HETATM 0 H4A MUB D 101 14.529 -10.746 -8.361 1.00 0.87 H new HETATM 0 H3 MUB D 101 12.074 -9.514 -9.683 1.00 0.81 H new HETATM 0 H2 MUB D 101 12.891 -8.988 -6.799 1.00 0.77 H new HETATM 0 H1 MUB D 101 12.346 -11.103 -6.429 1.00 0.78 H new HETATM 1319 C1 NAG D 102 13.371 -10.475 -11.473 1.00 0.84 C HETATM 1320 C2 NAG D 102 14.064 -10.653 -12.809 1.00 0.94 C HETATM 1321 C3 NAG D 102 13.102 -10.424 -13.961 1.00 1.41 C HETATM 1322 C4 NAG D 102 11.815 -11.237 -13.748 1.00 2.01 C HETATM 1323 C5 NAG D 102 11.243 -11.005 -12.353 1.00 2.01 C HETATM 1324 C6 NAG D 102 10.013 -11.860 -12.066 1.00 2.85 C HETATM 1325 C7 NAG D 102 15.050 -8.415 -12.815 1.00 1.57 C HETATM 1326 C8 NAG D 102 16.285 -7.544 -12.887 1.00 2.06 C HETATM 1327 N2 NAG D 102 15.195 -9.748 -12.888 1.00 1.16 N HETATM 1328 O3 NAG D 102 13.719 -10.823 -15.176 1.00 1.60 O HETATM 1329 O4 NAG D 102 10.843 -10.845 -14.710 1.00 2.71 O HETATM 1330 O5 NAG D 102 12.223 -11.316 -11.357 1.00 1.51 O HETATM 1331 O6 NAG D 102 9.537 -11.677 -10.736 1.00 3.23 O HETATM 1332 O7 NAG D 102 13.933 -7.884 -12.840 1.00 2.31 O HETATM 0 HO6 NAG D 102 9.844 -10.811 -10.395 1.00 3.23 H new HETATM 0 HO4 NAG D 102 11.254 -10.820 -15.599 1.00 2.71 H new HETATM 0 HO3 NAG D 102 13.075 -11.321 -15.721 1.00 1.60 H new HETATM 0 HN2 NAG D 102 16.131 -10.137 -13.003 1.00 1.16 H new HETATM 0 H83 NAG D 102 16.955 -7.794 -12.064 1.00 2.06 H new HETATM 0 H82 NAG D 102 16.795 -7.714 -13.835 1.00 2.06 H new HETATM 0 H81 NAG D 102 15.996 -6.496 -12.814 1.00 2.06 H new HETATM 0 H62 NAG D 102 9.222 -11.607 -12.772 1.00 2.85 H new HETATM 0 H61 NAG D 102 10.257 -12.911 -12.223 1.00 2.85 H new HETATM 0 H5 NAG D 102 10.957 -9.954 -12.318 1.00 2.01 H new HETATM 0 H4 NAG D 102 12.059 -12.294 -13.858 1.00 2.01 H new HETATM 0 H3 NAG D 102 12.848 -9.365 -14.007 1.00 1.41 H new HETATM 0 H2 NAG D 102 14.422 -11.679 -12.888 1.00 0.94 H new HETATM 1347 C1 MUB G 101 -12.760 4.856 -1.562 1.00 0.78 C HETATM 1348 C2 MUB G 101 -12.151 4.028 -2.687 1.00 0.77 C HETATM 1349 C3 MUB G 101 -13.283 3.350 -3.500 1.00 0.81 C HETATM 1350 C4 MUB G 101 -14.447 2.916 -2.618 1.00 0.87 C HETATM 1351 C5 MUB G 101 -15.056 4.116 -1.896 1.00 1.10 C HETATM 1352 C6 MUB G 101 -15.398 3.792 -0.448 1.00 1.28 C HETATM 1353 C7 MUB G 101 -11.782 5.346 -4.669 1.00 1.81 C HETATM 1354 C8 MUB G 101 -10.876 6.120 -5.562 1.00 2.83 C HETATM 1355 C9 MUB G 101 -12.036 1.285 -3.490 1.00 0.89 C HETATM 1356 C10 MUB G 101 -12.768 0.052 -2.949 1.00 1.09 C HETATM 1357 C11 MUB G 101 -10.477 1.387 -3.447 1.00 1.18 C HETATM 1358 O1 MUB G 101 -12.019 6.024 -1.396 1.00 0.93 O HETATM 1359 O3 MUB G 101 -12.771 2.228 -4.289 1.00 0.86 O HETATM 1360 O4 MUB G 101 -15.418 2.222 -3.432 1.00 1.10 O HETATM 1361 O5 MUB G 101 -14.124 5.213 -1.908 1.00 1.05 O HETATM 1362 O6 MUB G 101 -16.390 2.779 -0.390 1.00 1.13 O HETATM 1363 O7 MUB G 101 -12.980 5.251 -4.948 1.00 2.24 O HETATM 1364 O10 MUB G 101 -12.096 -0.928 -2.580 1.00 1.68 O HETATM 1365 N2 MUB G 101 -11.288 4.796 -3.566 1.00 1.07 N HETATM 0 H113 MUB G 101 -10.137 1.328 -2.413 1.00 1.18 H new HETATM 0 H112 MUB G 101 -10.043 0.567 -4.019 1.00 1.18 H new HETATM 0 H111 MUB G 101 -10.163 2.337 -3.879 1.00 1.18 H new HETATM 0 HO6 MUB G 101 -16.599 2.579 0.546 1.00 1.13 H new HETATM 0 HN2 MUB G 101 -10.301 4.913 -3.336 1.00 1.07 H new HETATM 0 H9 MUB G 101 -12.085 1.754 -2.507 1.00 0.89 H new HETATM 0 H83 MUB G 101 -10.883 5.678 -6.559 1.00 2.83 H new HETATM 0 H82 MUB G 101 -11.218 7.153 -5.621 1.00 2.83 H new HETATM 0 H81 MUB G 101 -9.863 6.096 -5.161 1.00 2.83 H new HETATM 0 H62 MUB G 101 -14.502 3.464 0.079 1.00 1.28 H new HETATM 0 H61 MUB G 101 -15.755 4.689 0.058 1.00 1.28 H new HETATM 0 H5 MUB G 101 -15.974 4.380 -2.421 1.00 1.10 H new HETATM 0 H4A MUB G 101 -14.093 2.234 -1.845 1.00 0.87 H new HETATM 0 H3 MUB G 101 -13.669 4.100 -4.190 1.00 0.81 H new HETATM 0 H2 MUB G 101 -11.515 3.274 -2.222 1.00 0.77 H new HETATM 0 H1 MUB G 101 -12.751 4.274 -0.640 1.00 0.78 H new HETATM 1382 C1 NAG G 102 -15.808 2.928 -4.620 1.00 0.84 C HETATM 1383 C2 NAG G 102 -16.866 2.121 -5.341 1.00 0.94 C HETATM 1384 C3 NAG G 102 -17.361 2.836 -6.586 1.00 1.41 C HETATM 1385 C4 NAG G 102 -17.716 4.293 -6.253 1.00 2.01 C HETATM 1386 C5 NAG G 102 -16.581 4.972 -5.497 1.00 2.01 C HETATM 1387 C6 NAG G 102 -16.906 6.405 -5.083 1.00 2.85 C HETATM 1388 C7 NAG G 102 -15.318 0.639 -6.504 1.00 1.57 C HETATM 1389 C8 NAG G 102 -14.829 -0.764 -6.779 1.00 2.06 C HETATM 1390 N2 NAG G 102 -16.348 0.807 -5.665 1.00 1.16 N HETATM 1391 O3 NAG G 102 -18.512 2.173 -7.085 1.00 1.60 O HETATM 1392 O4 NAG G 102 -17.951 5.009 -7.461 1.00 2.71 O HETATM 1393 O5 NAG G 102 -16.265 4.243 -4.310 1.00 1.51 O HETATM 1394 O6 NAG G 102 -15.886 6.970 -4.264 1.00 3.23 O HETATM 1395 O7 NAG G 102 -14.855 1.582 -7.157 1.00 2.31 O HETATM 0 HO6 NAG G 102 -15.407 6.254 -3.798 1.00 3.23 H new HETATM 0 HO4 NAG G 102 -18.475 5.814 -7.267 1.00 2.71 H new HETATM 0 HO3 NAG G 102 -19.229 2.825 -7.227 1.00 1.60 H new HETATM 0 HN2 NAG G 102 -16.781 -0.014 -5.242 1.00 1.16 H new HETATM 0 H83 NAG G 102 -14.504 -1.225 -5.846 1.00 2.06 H new HETATM 0 H82 NAG G 102 -15.637 -1.353 -7.213 1.00 2.06 H new HETATM 0 H81 NAG G 102 -13.992 -0.727 -7.477 1.00 2.06 H new HETATM 0 H62 NAG G 102 -17.036 7.019 -5.974 1.00 2.85 H new HETATM 0 H61 NAG G 102 -17.853 6.420 -4.544 1.00 2.85 H new HETATM 0 H5 NAG G 102 -15.739 4.992 -6.189 1.00 2.01 H new HETATM 0 H4 NAG G 102 -18.608 4.293 -5.627 1.00 2.01 H new HETATM 0 H3 NAG G 102 -16.573 2.825 -7.339 1.00 1.41 H new HETATM 0 H2 NAG G 102 -17.722 2.007 -4.676 1.00 0.94 H new HETATM 1410 C1 MUB H 101 10.361 6.624 2.153 1.00 0.78 C HETATM 1411 C2 MUB H 101 9.460 7.834 1.945 1.00 0.77 C HETATM 1412 C3 MUB H 101 10.322 9.132 1.950 1.00 0.81 C HETATM 1413 C4 MUB H 101 11.604 8.982 2.781 1.00 0.87 C HETATM 1414 C5 MUB H 101 12.481 7.851 2.256 1.00 1.10 C HETATM 1415 C6 MUB H 101 13.192 7.126 3.392 1.00 1.28 C HETATM 1416 C7 MUB H 101 9.134 8.337 -0.382 1.00 1.81 C HETATM 1417 C8 MUB H 101 8.330 8.259 -1.634 1.00 2.83 C HETATM 1418 C9 MUB H 101 8.877 9.990 3.668 1.00 0.89 C HETATM 1419 C10 MUB H 101 9.619 10.224 4.990 1.00 1.09 C HETATM 1420 C11 MUB H 101 7.349 9.672 3.636 1.00 1.18 C HETATM 1421 O1 MUB H 101 9.803 5.523 1.509 1.00 0.93 O HETATM 1422 O3 MUB H 101 9.551 10.280 2.431 1.00 0.86 O HETATM 1423 O4 MUB H 101 12.306 10.243 2.841 1.00 1.10 O HETATM 1424 O5 MUB H 101 11.661 6.890 1.554 1.00 1.05 O HETATM 1425 O6 MUB H 101 13.490 8.035 4.439 1.00 1.13 O HETATM 1426 O7 MUB H 101 10.185 8.983 -0.372 1.00 2.24 O HETATM 1427 O10 MUB H 101 8.969 10.204 6.052 1.00 1.68 O HETATM 1428 N2 MUB H 101 8.681 7.753 0.724 1.00 1.07 N HETATM 0 H113 MUB H 101 7.156 8.756 4.194 1.00 1.18 H new HETATM 0 H112 MUB H 101 6.796 10.496 4.088 1.00 1.18 H new HETATM 0 H111 MUB H 101 7.026 9.542 2.603 1.00 1.18 H new HETATM 0 HO6 MUB H 101 14.322 8.510 4.233 1.00 1.13 H new HETATM 0 HN2 MUB H 101 7.793 7.252 0.714 1.00 1.07 H new HETATM 0 H9 MUB H 101 9.064 8.924 3.801 1.00 0.89 H new HETATM 0 H83 MUB H 101 8.030 9.262 -1.937 1.00 2.83 H new HETATM 0 H82 MUB H 101 8.929 7.806 -2.424 1.00 2.83 H new HETATM 0 H81 MUB H 101 7.442 7.652 -1.459 1.00 2.83 H new HETATM 0 H62 MUB H 101 12.564 6.319 3.768 1.00 1.28 H new HETATM 0 H61 MUB H 101 14.111 6.669 3.024 1.00 1.28 H new HETATM 0 H5 MUB H 101 13.225 8.290 1.591 1.00 1.10 H new HETATM 0 H4A MUB H 101 11.331 8.706 3.800 1.00 0.87 H new HETATM 0 H3 MUB H 101 10.614 9.307 0.915 1.00 0.81 H new HETATM 0 H2 MUB H 101 8.747 7.854 2.769 1.00 0.77 H new HETATM 0 H1 MUB H 101 10.466 6.427 3.220 1.00 0.78 H new HETATM 1445 C1 NAG H 102 12.526 10.866 1.569 1.00 0.84 C HETATM 1446 C2 NAG H 102 13.239 12.169 1.781 1.00 0.94 C HETATM 1447 C3 NAG H 102 13.463 12.868 0.446 1.00 1.41 C HETATM 1448 C4 NAG H 102 14.127 11.905 -0.549 1.00 2.01 C HETATM 1449 C5 NAG H 102 13.381 10.575 -0.608 1.00 2.01 C HETATM 1450 C6 NAG H 102 14.077 9.545 -1.489 1.00 2.85 C HETATM 1451 C7 NAG H 102 11.214 13.395 2.392 1.00 1.57 C HETATM 1452 C8 NAG H 102 10.474 14.258 3.391 1.00 2.06 C HETATM 1453 N2 NAG H 102 12.467 13.007 2.678 1.00 1.16 N HETATM 1454 O3 NAG H 102 14.297 14.001 0.636 1.00 1.60 O HETATM 1455 O4 NAG H 102 14.122 12.488 -1.848 1.00 2.71 O HETATM 1456 O5 NAG H 102 13.268 10.012 0.701 1.00 1.51 O HETATM 1457 O6 NAG H 102 13.457 8.267 -1.402 1.00 3.23 O HETATM 1458 O7 NAG H 102 10.697 13.165 1.292 1.00 2.31 O HETATM 0 HO6 NAG H 102 13.013 8.177 -0.533 1.00 3.23 H new HETATM 0 HO4 NAG H 102 14.802 12.053 -2.404 1.00 2.71 H new HETATM 0 HO3 NAG H 102 14.442 14.449 -0.224 1.00 1.60 H new HETATM 0 HN2 NAG H 102 12.890 13.312 3.555 1.00 1.16 H new HETATM 0 H83 NAG H 102 10.388 13.726 4.338 1.00 2.06 H new HETATM 0 H82 NAG H 102 11.022 15.188 3.545 1.00 2.06 H new HETATM 0 H81 NAG H 102 9.478 14.483 3.010 1.00 2.06 H new HETATM 0 H62 NAG H 102 14.064 9.885 -2.525 1.00 2.85 H new HETATM 0 H61 NAG H 102 15.123 9.462 -1.194 1.00 2.85 H new HETATM 0 H5 NAG H 102 12.402 10.799 -1.033 1.00 2.01 H new HETATM 0 H4 NAG H 102 15.148 11.723 -0.214 1.00 2.01 H new HETATM 0 H3 NAG H 102 12.500 13.186 0.046 1.00 1.41 H new HETATM 0 H2 NAG H 102 14.213 11.979 2.232 1.00 0.94 H new