USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 577 hydrogens (64 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 6 CGUHE22 : A 6 CGUOE22 : A 6 CGU CD2 :(short bond) USER MOD NoAdj-H: A 6 CGUHE12 : A 6 CGUOE12 : A 6 CGU CD1 :(short bond) USER MOD NoAdj-H: A 6 CGU H : A 6 CGU N : A 5 LEU C :(H bumps) USER MOD NoAdj-H: A 7 CGUHE22 : A 7 CGUOE22 : A 7 CGU CD2 :(short bond) USER MOD NoAdj-H: A 7 CGUHE12 : A 7 CGUOE12 : A 7 CGU CD1 :(short bond) USER MOD NoAdj-H: A 7 CGU HN2 : A 7 CGU N : A 6 CGU C :(H bumps) USER MOD NoAdj-H: A 7 CGU H : A 7 CGU N : A 6 CGU C :(H bumps) USER MOD NoAdj-H: A 14 CGUHE22 : A 14 CGUOE22 : A 14 CGU CD2 :(short bond) USER MOD NoAdj-H: A 14 CGUHE12 : A 14 CGUOE12 : A 14 CGU CD1 :(short bond) USER MOD NoAdj-H: A 14 CGU HN2 : A 14 CGU N : A 13 LEU C :(H bumps) USER MOD NoAdj-H: A 14 CGU H : A 14 CGU N : A 13 LEU C :(H bumps) USER MOD NoAdj-H: A 16 CGUHE22 : A 16 CGUOE22 : A 16 CGU CD2 :(short bond) USER MOD NoAdj-H: A 16 CGUHE12 : A 16 CGUOE12 : A 16 CGU CD1 :(short bond) USER MOD NoAdj-H: A 16 CGU HN2 : A 16 CGU N : A 15 ARG C :(H bumps) USER MOD NoAdj-H: A 16 CGU H : A 16 CGU N : A 15 ARG C :(H bumps) USER MOD NoAdj-H: A 19 CGUHE22 : A 19 CGUOE22 : A 19 CGU CD2 :(short bond) USER MOD NoAdj-H: A 19 CGUHE12 : A 19 CGUOE12 : A 19 CGU CD1 :(short bond) USER MOD NoAdj-H: A 19 CGU HN2 : A 19 CGU N : A 18 LEU C :(H bumps) USER MOD NoAdj-H: A 19 CGU H : A 19 CGU N : A 18 LEU C :(H bumps) USER MOD NoAdj-H: A 20 CGUHE22 : A 20 CGUOE22 : A 20 CGU CD2 :(short bond) USER MOD NoAdj-H: A 20 CGUHE12 : A 20 CGUOE12 : A 20 CGU CD1 :(short bond) USER MOD NoAdj-H: A 20 CGU HN2 : A 20 CGU N : A 19 CGU C :(H bumps) USER MOD NoAdj-H: A 20 CGU H : A 20 CGU N : A 19 CGU C :(H bumps) USER MOD NoAdj-H: A 25 CGUHE22 : A 25 CGUOE22 : A 25 CGU CD2 :(short bond) USER MOD NoAdj-H: A 25 CGUHE12 : A 25 CGUOE12 : A 25 CGU CD1 :(short bond) USER MOD NoAdj-H: A 25 CGU HN2 : A 25 CGU N : A 24 LEU C :(H bumps) USER MOD NoAdj-H: A 25 CGU H : A 25 CGU N : A 24 LEU C :(H bumps) USER MOD NoAdj-H: A 26 CGUHE22 : A 26 CGUOE22 : A 26 CGU CD2 :(short bond) USER MOD NoAdj-H: A 26 CGUHE12 : A 26 CGUOE12 : A 26 CGU CD1 :(short bond) USER MOD NoAdj-H: A 26 CGU HN2 : A 26 CGU N : A 25 CGU C :(H bumps) USER MOD NoAdj-H: A 26 CGU H : A 26 CGU N : A 25 CGU C :(H bumps) USER MOD NoAdj-H: A 29 CGUHE22 : A 29 CGUOE22 : A 29 CGU CD2 :(short bond) USER MOD NoAdj-H: A 29 CGUHE12 : A 29 CGUOE12 : A 29 CGU CD1 :(short bond) USER MOD NoAdj-H: A 29 CGU HN2 : A 29 CGU N : A 28 ARG C :(H bumps) USER MOD NoAdj-H: A 29 CGU H : A 29 CGU N : A 28 ARG C :(H bumps) USER MOD NoAdj-H: A 32 CGUHE22 : A 32 CGUOE22 : A 32 CGU CD2 :(short bond) USER MOD NoAdj-H: A 32 CGUHE12 : A 32 CGUOE12 : A 32 CGU CD1 :(short bond) USER MOD NoAdj-H: A 32 CGU HN2 : A 32 CGU N : A 31 PHE C :(H bumps) USER MOD NoAdj-H: A 32 CGU H : A 32 CGU N : A 31 PHE C :(H bumps) USER MOD NoAdj-H: A 35 CGUHE22 : A 35 CGUOE22 : A 35 CGU CD2 :(short bond) USER MOD NoAdj-H: A 35 CGUHE12 : A 35 CGUOE12 : A 35 CGU CD1 :(short bond) USER MOD NoAdj-H: A 35 CGU HN2 : A 35 CGU N : A 34 ALA C :(H bumps) USER MOD NoAdj-H: A 35 CGU H : A 35 CGU N : A 34 ALA C :(H bumps) USER MOD NoAdj-H: A 39 CGUHE22 : A 39 CGUOE22 : A 39 CGU CD2 :(short bond) USER MOD NoAdj-H: A 39 CGUHE12 : A 39 CGUOE12 : A 39 CGU CD1 :(short bond) USER MOD NoAdj-H: A 39 CGU H : A 39 CGU N : A 38 ASP C :(H bumps) USER MOD NoAdj-H: A 63 BHD HD2 : A 63 BHD OD2 : A 63 BHD CG :(short bond) USER MOD NoAdj-H: A 63 BHD H2 : A 63 BHD N : A 62 LYS C :(H bumps) USER MOD NoAdj-H: A 63 BHD H : A 63 BHD N : A 62 LYS C :(H bumps) USER MOD Set 1.1: A 57 ASN : amide:sc= -14! C(o=-14!,f=-15!) USER MOD Set 1.2: A 84 SER OG : rot -7:sc= -0.472! USER MOD Set 2.1: A 62 LYS NZ :NH3+ -150:sc= -0.221 (180deg=-1.02) USER MOD Set 2.2: A 69 THR OG1 : rot -176:sc= -2.49! USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.12 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.95! C(o=-1.9!,f=-3.1!) USER MOD Single : A 12 ASN : amide:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 23 SER OG : rot -12:sc= 0.909 USER MOD Single : A 36 GLN : amide:sc= -0.91 K(o=-0.91,f=-4.7!) USER MOD Single : A 37 THR OG1 : rot 80:sc= -5.33! USER MOD Single : A 42 SER OG : rot 180:sc= -0.835! USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= -0.156 (180deg=-0.864) USER MOD Single : A 44 TYR OH : rot -77:sc= -3.72! USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.093 (180deg=-0.381) USER MOD Single : A 49 GLN : amide:sc= -5.19! C(o=-5.2!,f=-10!) USER MOD Single : A 53 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.39) USER MOD Single : A 58 GLN : amide:sc= -4.4! C(o=-4.4!,f=-7.3!) USER MOD Single : A 60 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-0.92) USER MOD Single : A 63 BHD OB : rot 101:sc= -0.592 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -43:sc= -0.247! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -2.4! C(o=-2.4!,f=-4.5!) USER MOD Single : A 85 THR OG1 : rot 130:sc= -2.55 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.747 11.284 -11.992 1.00 0.00 N ATOM 2 CA ALA A 1 17.383 10.912 -11.525 1.00 0.00 C ATOM 3 C ALA A 1 17.228 11.296 -10.052 1.00 0.00 C ATOM 4 O ALA A 1 18.063 11.974 -9.488 1.00 0.00 O ATOM 5 CB ALA A 1 17.184 9.403 -11.685 1.00 0.00 C ATOM 0 H1 ALA A 1 18.672 11.923 -12.809 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.258 11.763 -11.224 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.265 10.426 -12.270 1.00 0.00 H new ATOM 0 HA ALA A 1 16.637 11.441 -12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.186 9.129 -11.343 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.296 9.131 -12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.929 8.873 -11.091 1.00 0.00 H new ATOM 13 N ASN A 2 16.166 10.872 -9.426 1.00 0.00 N ATOM 14 CA ASN A 2 15.963 11.220 -7.992 1.00 0.00 C ATOM 15 C ASN A 2 15.308 10.044 -7.265 1.00 0.00 C ATOM 16 O ASN A 2 14.103 9.978 -7.131 1.00 0.00 O ATOM 17 CB ASN A 2 15.059 12.449 -7.890 1.00 0.00 C ATOM 18 CG ASN A 2 15.915 13.717 -7.927 1.00 0.00 C ATOM 19 OD1 ASN A 2 16.732 13.887 -8.811 1.00 0.00 O ATOM 20 ND2 ASN A 2 15.762 14.621 -6.998 1.00 0.00 N ATOM 0 H ASN A 2 15.431 10.301 -9.844 1.00 0.00 H new ATOM 0 HA ASN A 2 16.927 11.437 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 2 14.343 12.456 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 2 14.482 12.414 -6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 2 16.328 15.470 -7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 2 15.077 14.479 -6.256 1.00 0.00 H new ATOM 27 N SER A 3 16.095 9.118 -6.787 1.00 0.00 N ATOM 28 CA SER A 3 15.517 7.952 -6.062 1.00 0.00 C ATOM 29 C SER A 3 15.209 8.360 -4.621 1.00 0.00 C ATOM 30 O SER A 3 15.804 9.275 -4.086 1.00 0.00 O ATOM 31 CB SER A 3 16.522 6.800 -6.058 1.00 0.00 C ATOM 32 OG SER A 3 15.893 5.632 -5.548 1.00 0.00 O ATOM 0 H SER A 3 17.112 9.119 -6.867 1.00 0.00 H new ATOM 0 HA SER A 3 14.602 7.631 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.889 6.618 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.387 7.058 -5.447 1.00 0.00 H new ATOM 0 HG SER A 3 16.533 4.890 -5.545 1.00 0.00 H new ATOM 38 N PHE A 4 14.287 7.692 -3.986 1.00 0.00 N ATOM 39 CA PHE A 4 13.950 8.048 -2.581 1.00 0.00 C ATOM 40 C PHE A 4 15.032 7.500 -1.643 1.00 0.00 C ATOM 41 O PHE A 4 14.994 7.711 -0.447 1.00 0.00 O ATOM 42 CB PHE A 4 12.579 7.456 -2.217 1.00 0.00 C ATOM 43 CG PHE A 4 12.722 6.005 -1.811 1.00 0.00 C ATOM 44 CD1 PHE A 4 13.055 5.683 -0.490 1.00 0.00 C ATOM 45 CD2 PHE A 4 12.523 4.985 -2.751 1.00 0.00 C ATOM 46 CE1 PHE A 4 13.188 4.344 -0.108 1.00 0.00 C ATOM 47 CE2 PHE A 4 12.656 3.644 -2.367 1.00 0.00 C ATOM 48 CZ PHE A 4 12.988 3.325 -1.046 1.00 0.00 C ATOM 0 H PHE A 4 13.753 6.916 -4.379 1.00 0.00 H new ATOM 0 HA PHE A 4 13.906 9.132 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.134 8.026 -1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 4 11.903 7.537 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.209 6.469 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.267 5.232 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.445 4.096 0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.502 2.857 -3.091 1.00 0.00 H new ATOM 0 HZ PHE A 4 13.090 2.291 -0.750 1.00 0.00 H new ATOM 58 N LEU A 5 15.996 6.797 -2.177 1.00 0.00 N ATOM 59 CA LEU A 5 17.074 6.237 -1.316 1.00 0.00 C ATOM 60 C LEU A 5 17.896 7.378 -0.720 1.00 0.00 C ATOM 61 O LEU A 5 18.331 7.314 0.413 1.00 0.00 O ATOM 62 CB LEU A 5 17.978 5.326 -2.149 1.00 0.00 C ATOM 63 CG LEU A 5 17.715 3.866 -1.775 1.00 0.00 C ATOM 64 CD1 LEU A 5 16.568 3.316 -2.627 1.00 0.00 C ATOM 65 CD2 LEU A 5 18.978 3.039 -2.029 1.00 0.00 C ATOM 0 H LEU A 5 16.082 6.588 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 5 16.628 5.656 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 5 17.788 5.480 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 5 19.025 5.575 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 5 17.445 3.806 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.382 2.276 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.667 3.903 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.837 3.377 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.791 1.999 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 5 19.248 3.101 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 5 19.796 3.428 -1.422 1.00 0.00 H new HETATM 77 N CGU A 6 18.104 8.426 -1.467 1.00 0.00 N HETATM 78 CA CGU A 6 18.887 9.574 -0.931 1.00 0.00 C HETATM 79 C CGU A 6 18.392 9.877 0.482 1.00 0.00 C HETATM 80 O CGU A 6 19.164 10.105 1.392 1.00 0.00 O HETATM 81 CB CGU A 6 18.672 10.797 -1.830 1.00 0.00 C HETATM 82 CG CGU A 6 19.496 10.675 -3.124 1.00 0.00 C HETATM 83 CD1 CGU A 6 20.864 11.329 -2.921 1.00 0.00 C HETATM 84 CD2 CGU A 6 19.692 9.202 -3.508 1.00 0.00 C HETATM 85 OE11 CGU A 6 20.985 12.507 -3.218 1.00 0.00 O HETATM 86 OE12 CGU A 6 21.767 10.642 -2.473 1.00 0.00 O HETATM 87 OE21 CGU A 6 20.667 8.619 -3.064 1.00 0.00 O HETATM 88 OE22 CGU A 6 18.864 8.686 -4.241 1.00 0.00 O HETATM 0 HN2 CGU A 6 18.292 8.075 -2.406 1.00 0.00 H new HETATM 0 HG CGU A 6 18.956 11.178 -3.927 1.00 0.00 H new HETATM 0 HB3 CGU A 6 17.614 10.893 -2.075 1.00 0.00 H new HETATM 0 HB2 CGU A 6 18.959 11.702 -1.295 1.00 0.00 H new HETATM 0 HA CGU A 6 19.950 9.332 -0.908 1.00 0.00 H new HETATM 94 N CGU A 7 17.101 9.858 0.669 1.00 0.00 N HETATM 95 CA CGU A 7 16.527 10.118 2.018 1.00 0.00 C HETATM 96 C CGU A 7 15.768 8.869 2.466 1.00 0.00 C HETATM 97 O CGU A 7 14.570 8.898 2.670 1.00 0.00 O HETATM 98 CB CGU A 7 15.562 11.304 1.947 1.00 0.00 C HETATM 99 CG CGU A 7 16.267 12.504 1.310 1.00 0.00 C HETATM 100 CD1 CGU A 7 15.261 13.638 1.104 1.00 0.00 C HETATM 101 CD2 CGU A 7 17.390 12.985 2.232 1.00 0.00 C HETATM 102 OE11 CGU A 7 15.691 14.731 0.771 1.00 0.00 O HETATM 103 OE12 CGU A 7 14.079 13.396 1.284 1.00 0.00 O HETATM 104 OE21 CGU A 7 18.541 12.744 1.907 1.00 0.00 O HETATM 105 OE22 CGU A 7 17.079 13.586 3.246 1.00 0.00 O HETATM 0 HG CGU A 7 16.685 12.208 0.348 1.00 0.00 H new HETATM 0 HB3 CGU A 7 14.682 11.035 1.363 1.00 0.00 H new HETATM 0 HB2 CGU A 7 15.214 11.563 2.947 1.00 0.00 H new HETATM 0 HA CGU A 7 17.323 10.351 2.726 1.00 0.00 H new ATOM 111 N VAL A 8 16.459 7.767 2.595 1.00 0.00 N ATOM 112 CA VAL A 8 15.800 6.502 3.001 1.00 0.00 C ATOM 113 C VAL A 8 14.758 6.778 4.067 1.00 0.00 C ATOM 114 O VAL A 8 15.043 6.891 5.241 1.00 0.00 O ATOM 115 CB VAL A 8 16.825 5.511 3.540 1.00 0.00 C ATOM 116 CG1 VAL A 8 17.961 5.348 2.528 1.00 0.00 C ATOM 117 CG2 VAL A 8 17.393 6.014 4.870 1.00 0.00 C ATOM 0 H VAL A 8 17.463 7.694 2.433 1.00 0.00 H new ATOM 0 HA VAL A 8 15.319 6.071 2.123 1.00 0.00 H new ATOM 0 HB VAL A 8 16.339 4.549 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.693 4.639 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.558 4.976 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 8 18.442 6.312 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.124 5.299 5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 8 17.875 6.980 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.585 6.122 5.593 1.00 0.00 H new ATOM 127 N LYS A 9 13.549 6.879 3.645 1.00 0.00 N ATOM 128 CA LYS A 9 12.438 7.138 4.600 1.00 0.00 C ATOM 129 C LYS A 9 12.580 6.182 5.784 1.00 0.00 C ATOM 130 O LYS A 9 12.107 5.064 5.748 1.00 0.00 O ATOM 131 CB LYS A 9 11.097 6.896 3.905 1.00 0.00 C ATOM 132 CG LYS A 9 9.960 7.400 4.797 1.00 0.00 C ATOM 133 CD LYS A 9 9.957 8.929 4.805 1.00 0.00 C ATOM 134 CE LYS A 9 8.581 9.439 4.372 1.00 0.00 C ATOM 135 NZ LYS A 9 8.573 10.928 4.401 1.00 0.00 N ATOM 0 H LYS A 9 13.267 6.794 2.668 1.00 0.00 H new ATOM 0 HA LYS A 9 12.478 8.171 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.075 7.411 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.968 5.833 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.004 7.026 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.084 7.021 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.196 9.298 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.726 9.308 4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.348 9.083 3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.810 9.047 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.638 11.276 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.777 11.258 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.298 11.292 3.750 1.00 0.00 H new ATOM 149 N GLN A 10 13.248 6.609 6.824 1.00 0.00 N ATOM 150 CA GLN A 10 13.447 5.724 8.010 1.00 0.00 C ATOM 151 C GLN A 10 12.172 4.915 8.281 1.00 0.00 C ATOM 152 O GLN A 10 11.264 5.369 8.949 1.00 0.00 O ATOM 153 CB GLN A 10 13.787 6.574 9.241 1.00 0.00 C ATOM 154 CG GLN A 10 12.597 7.468 9.604 1.00 0.00 C ATOM 155 CD GLN A 10 12.021 7.028 10.950 1.00 0.00 C ATOM 156 OE1 GLN A 10 11.847 5.850 11.194 1.00 0.00 O ATOM 157 NE2 GLN A 10 11.717 7.930 11.843 1.00 0.00 N ATOM 0 H GLN A 10 13.666 7.536 6.903 1.00 0.00 H new ATOM 0 HA GLN A 10 14.269 5.038 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 10 14.037 5.927 10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.665 7.187 9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.913 8.510 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.832 7.405 8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.863 8.919 11.639 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.334 7.646 12.745 1.00 0.00 H new ATOM 166 N GLY A 11 12.101 3.716 7.766 1.00 0.00 N ATOM 167 CA GLY A 11 10.889 2.874 7.990 1.00 0.00 C ATOM 168 C GLY A 11 9.790 3.276 7.001 1.00 0.00 C ATOM 169 O GLY A 11 9.492 4.441 6.833 1.00 0.00 O ATOM 0 H GLY A 11 12.830 3.283 7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.138 1.820 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.533 2.997 9.013 1.00 0.00 H new ATOM 173 N ASN A 12 9.185 2.320 6.345 1.00 0.00 N ATOM 174 CA ASN A 12 8.107 2.652 5.367 1.00 0.00 C ATOM 175 C ASN A 12 7.394 1.365 4.927 1.00 0.00 C ATOM 176 O ASN A 12 7.937 0.284 5.034 1.00 0.00 O ATOM 177 CB ASN A 12 8.719 3.340 4.139 1.00 0.00 C ATOM 178 CG ASN A 12 10.170 2.888 3.952 1.00 0.00 C ATOM 179 OD1 ASN A 12 11.024 3.195 4.760 1.00 0.00 O ATOM 180 ND2 ASN A 12 10.489 2.172 2.909 1.00 0.00 N ATOM 0 H ASN A 12 9.390 1.326 6.444 1.00 0.00 H new ATOM 0 HA ASN A 12 7.389 3.322 5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.137 3.099 3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.680 4.422 4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.454 1.871 2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.773 1.913 2.230 1.00 0.00 H new ATOM 187 N LEU A 13 6.185 1.469 4.428 1.00 0.00 N ATOM 188 CA LEU A 13 5.458 0.259 3.983 1.00 0.00 C ATOM 189 C LEU A 13 5.333 0.284 2.459 1.00 0.00 C ATOM 190 O LEU A 13 5.884 1.140 1.796 1.00 0.00 O ATOM 191 CB LEU A 13 4.060 0.240 4.609 1.00 0.00 C ATOM 192 CG LEU A 13 4.166 -0.047 6.108 1.00 0.00 C ATOM 193 CD1 LEU A 13 4.992 -1.314 6.331 1.00 0.00 C ATOM 194 CD2 LEU A 13 4.845 1.133 6.807 1.00 0.00 C ATOM 0 H LEU A 13 5.677 2.346 4.313 1.00 0.00 H new ATOM 0 HA LEU A 13 6.004 -0.632 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.566 1.198 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.446 -0.521 4.127 1.00 0.00 H new ATOM 0 HG LEU A 13 3.167 -0.189 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.066 -1.517 7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.509 -2.156 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.991 -1.174 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.921 0.929 7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.843 1.276 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.255 2.036 6.651 1.00 0.00 H new HETATM 206 N CGU A 14 4.610 -0.644 1.899 1.00 0.00 N HETATM 207 CA CGU A 14 4.449 -0.661 0.418 1.00 0.00 C HETATM 208 C CGU A 14 3.870 0.679 -0.025 1.00 0.00 C HETATM 209 O CGU A 14 3.949 1.054 -1.176 1.00 0.00 O HETATM 210 CB CGU A 14 3.535 -1.827 -0.022 1.00 0.00 C HETATM 211 CG CGU A 14 2.067 -1.605 0.384 1.00 0.00 C HETATM 212 CD1 CGU A 14 1.971 -1.207 1.856 1.00 0.00 C HETATM 213 CD2 CGU A 14 1.436 -0.516 -0.489 1.00 0.00 C HETATM 214 OE11 CGU A 14 2.258 -2.044 2.696 1.00 0.00 O HETATM 215 OE12 CGU A 14 1.592 -0.081 2.121 1.00 0.00 O HETATM 216 OE21 CGU A 14 1.945 -0.286 -1.574 1.00 0.00 O HETATM 217 OE22 CGU A 14 0.456 0.067 -0.057 1.00 0.00 O HETATM 0 HG CGU A 14 1.526 -2.540 0.237 1.00 0.00 H new HETATM 0 HB3 CGU A 14 3.596 -1.945 -1.104 1.00 0.00 H new HETATM 0 HB2 CGU A 14 3.896 -2.755 0.421 1.00 0.00 H new HETATM 0 HA CGU A 14 5.420 -0.813 -0.053 1.00 0.00 H new ATOM 223 N ARG A 15 3.295 1.410 0.886 1.00 0.00 N ATOM 224 CA ARG A 15 2.719 2.736 0.525 1.00 0.00 C ATOM 225 C ARG A 15 3.856 3.758 0.375 1.00 0.00 C ATOM 226 O ARG A 15 3.938 4.470 -0.605 1.00 0.00 O ATOM 227 CB ARG A 15 1.760 3.188 1.628 1.00 0.00 C ATOM 228 CG ARG A 15 0.420 2.457 1.479 1.00 0.00 C ATOM 229 CD ARG A 15 -0.736 3.406 1.817 1.00 0.00 C ATOM 230 NE ARG A 15 -0.259 4.506 2.720 1.00 0.00 N ATOM 231 CZ ARG A 15 0.400 4.249 3.821 1.00 0.00 C ATOM 232 NH1 ARG A 15 0.503 3.026 4.264 1.00 0.00 N ATOM 233 NH2 ARG A 15 0.912 5.230 4.510 1.00 0.00 N ATOM 0 H ARG A 15 3.198 1.147 1.867 1.00 0.00 H new ATOM 0 HA ARG A 15 2.175 2.659 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.192 2.980 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.606 4.266 1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.310 2.086 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.394 1.590 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.147 3.831 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.541 2.852 2.301 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.453 5.476 2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.068 2.259 3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.019 2.837 5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.798 6.192 4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.427 5.036 5.369 1.00 0.00 H new HETATM 247 N CGU A 16 4.745 3.816 1.335 1.00 0.00 N HETATM 248 CA CGU A 16 5.893 4.766 1.250 1.00 0.00 C HETATM 249 C CGU A 16 6.999 4.144 0.395 1.00 0.00 C HETATM 250 O CGU A 16 8.116 4.620 0.356 1.00 0.00 O HETATM 251 CB CGU A 16 6.424 5.063 2.654 1.00 0.00 C HETATM 252 CG CGU A 16 6.397 6.573 2.894 1.00 0.00 C HETATM 253 CD1 CGU A 16 7.220 7.276 1.813 1.00 0.00 C HETATM 254 CD2 CGU A 16 4.950 7.072 2.837 1.00 0.00 C HETATM 255 OE11 CGU A 16 8.406 7.465 2.028 1.00 0.00 O HETATM 256 OE12 CGU A 16 6.652 7.610 0.786 1.00 0.00 O HETATM 257 OE21 CGU A 16 4.165 6.649 3.669 1.00 0.00 O HETATM 258 OE22 CGU A 16 4.653 7.869 1.962 1.00 0.00 O HETATM 0 HG CGU A 16 6.820 6.793 3.874 1.00 0.00 H new HETATM 0 HB3 CGU A 16 5.816 4.553 3.401 1.00 0.00 H new HETATM 0 HB2 CGU A 16 7.441 4.684 2.759 1.00 0.00 H new HETATM 0 HA CGU A 16 5.563 5.699 0.793 1.00 0.00 H new ATOM 264 N CYS A 17 6.692 3.072 -0.278 1.00 0.00 N ATOM 265 CA CYS A 17 7.704 2.383 -1.126 1.00 0.00 C ATOM 266 C CYS A 17 6.974 1.378 -2.013 1.00 0.00 C ATOM 267 O CYS A 17 7.389 0.248 -2.177 1.00 0.00 O ATOM 268 CB CYS A 17 8.677 1.632 -0.226 1.00 0.00 C ATOM 269 SG CYS A 17 10.345 1.681 -0.910 1.00 0.00 S ATOM 0 H CYS A 17 5.769 2.637 -0.277 1.00 0.00 H new ATOM 0 HA CYS A 17 8.249 3.106 -1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.674 2.074 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.354 0.597 -0.116 1.00 0.00 H new ATOM 274 N LEU A 18 5.874 1.794 -2.571 1.00 0.00 N ATOM 275 CA LEU A 18 5.076 0.895 -3.452 1.00 0.00 C ATOM 276 C LEU A 18 5.950 0.376 -4.603 1.00 0.00 C ATOM 277 O LEU A 18 6.920 -0.323 -4.386 1.00 0.00 O ATOM 278 CB LEU A 18 3.871 1.679 -3.997 1.00 0.00 C ATOM 279 CG LEU A 18 2.887 0.754 -4.746 1.00 0.00 C ATOM 280 CD1 LEU A 18 3.095 -0.716 -4.356 1.00 0.00 C ATOM 281 CD2 LEU A 18 1.458 1.162 -4.392 1.00 0.00 C ATOM 0 H LEU A 18 5.488 2.731 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 18 4.720 0.036 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.354 2.172 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.219 2.463 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 18 3.066 0.855 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.387 -1.341 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.112 -1.018 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.934 -0.834 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.754 0.515 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.308 1.066 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.291 2.197 -4.691 1.00 0.00 H new HETATM 293 N CGU A 19 5.613 0.696 -5.822 1.00 0.00 N HETATM 294 CA CGU A 19 6.417 0.206 -6.977 1.00 0.00 C HETATM 295 C CGU A 19 7.431 1.258 -7.399 1.00 0.00 C HETATM 296 O CGU A 19 8.594 1.195 -7.059 1.00 0.00 O HETATM 297 CB CGU A 19 5.484 -0.091 -8.150 1.00 0.00 C HETATM 298 CG CGU A 19 4.757 -1.414 -7.902 1.00 0.00 C HETATM 299 CD1 CGU A 19 3.464 -1.448 -8.718 1.00 0.00 C HETATM 300 CD2 CGU A 19 5.657 -2.576 -8.326 1.00 0.00 C HETATM 301 OE11 CGU A 19 3.281 -0.563 -9.537 1.00 0.00 O HETATM 302 OE12 CGU A 19 2.680 -2.360 -8.512 1.00 0.00 O HETATM 303 OE21 CGU A 19 5.507 -3.037 -9.446 1.00 0.00 O HETATM 304 OE22 CGU A 19 6.481 -2.985 -7.525 1.00 0.00 O HETATM 0 HG CGU A 19 4.519 -1.504 -6.842 1.00 0.00 H new HETATM 0 HB3 CGU A 19 4.762 0.717 -8.267 1.00 0.00 H new HETATM 0 HB2 CGU A 19 6.054 -0.146 -9.077 1.00 0.00 H new HETATM 0 HA CGU A 19 6.947 -0.699 -6.681 1.00 0.00 H new HETATM 310 N CGU A 20 6.990 2.208 -8.152 1.00 0.00 N HETATM 311 CA CGU A 20 7.907 3.283 -8.633 1.00 0.00 C HETATM 312 C CGU A 20 8.375 4.126 -7.451 1.00 0.00 C HETATM 313 O CGU A 20 9.335 4.865 -7.540 1.00 0.00 O HETATM 314 CB CGU A 20 7.174 4.176 -9.636 1.00 0.00 C HETATM 315 CG CGU A 20 6.824 3.365 -10.883 1.00 0.00 C HETATM 316 CD1 CGU A 20 5.331 3.031 -10.874 1.00 0.00 C HETATM 317 CD2 CGU A 20 7.157 4.186 -12.132 1.00 0.00 C HETATM 318 OE11 CGU A 20 5.008 1.855 -10.855 1.00 0.00 O HETATM 319 OE12 CGU A 20 4.537 3.957 -10.884 1.00 0.00 O HETATM 320 OE21 CGU A 20 6.232 4.576 -12.824 1.00 0.00 O HETATM 321 OE22 CGU A 20 8.332 4.411 -12.372 1.00 0.00 O HETATM 0 HG CGU A 20 7.401 2.440 -10.890 1.00 0.00 H new HETATM 0 HB3 CGU A 20 6.267 4.578 -9.185 1.00 0.00 H new HETATM 0 HB2 CGU A 20 7.800 5.026 -9.907 1.00 0.00 H new HETATM 0 HA CGU A 20 8.770 2.826 -9.117 1.00 0.00 H new ATOM 327 N ALA A 21 7.708 4.013 -6.344 1.00 0.00 N ATOM 328 CA ALA A 21 8.114 4.799 -5.147 1.00 0.00 C ATOM 329 C ALA A 21 9.055 3.953 -4.290 1.00 0.00 C ATOM 330 O ALA A 21 9.343 4.278 -3.156 1.00 0.00 O ATOM 331 CB ALA A 21 6.875 5.177 -4.332 1.00 0.00 C ATOM 0 H ALA A 21 6.896 3.409 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 21 8.623 5.710 -5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.177 5.752 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.204 5.777 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.360 4.271 -4.011 1.00 0.00 H new ATOM 337 N CYS A 22 9.537 2.867 -4.829 1.00 0.00 N ATOM 338 CA CYS A 22 10.461 1.997 -4.054 1.00 0.00 C ATOM 339 C CYS A 22 11.695 1.682 -4.904 1.00 0.00 C ATOM 340 O CYS A 22 11.756 2.012 -6.071 1.00 0.00 O ATOM 341 CB CYS A 22 9.765 0.690 -3.706 1.00 0.00 C ATOM 342 SG CYS A 22 10.406 0.073 -2.130 1.00 0.00 S ATOM 0 H CYS A 22 9.329 2.545 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 22 10.755 2.514 -3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.688 0.845 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.932 -0.045 -4.493 1.00 0.00 H new ATOM 347 N SER A 23 12.675 1.039 -4.331 1.00 0.00 N ATOM 348 CA SER A 23 13.897 0.698 -5.115 1.00 0.00 C ATOM 349 C SER A 23 14.320 -0.747 -4.822 1.00 0.00 C ATOM 350 O SER A 23 15.289 -1.237 -5.368 1.00 0.00 O ATOM 351 CB SER A 23 15.032 1.649 -4.733 1.00 0.00 C ATOM 352 OG SER A 23 16.229 1.232 -5.375 1.00 0.00 O ATOM 0 H SER A 23 12.683 0.736 -3.357 1.00 0.00 H new ATOM 0 HA SER A 23 13.679 0.799 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.783 2.668 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.169 1.655 -3.652 1.00 0.00 H new ATOM 0 HG SER A 23 16.101 0.339 -5.757 1.00 0.00 H new ATOM 358 N LEU A 24 13.604 -1.433 -3.966 1.00 0.00 N ATOM 359 CA LEU A 24 13.960 -2.847 -3.635 1.00 0.00 C ATOM 360 C LEU A 24 15.092 -2.887 -2.600 1.00 0.00 C ATOM 361 O LEU A 24 15.132 -3.755 -1.751 1.00 0.00 O ATOM 362 CB LEU A 24 14.395 -3.582 -4.904 1.00 0.00 C ATOM 363 CG LEU A 24 13.665 -4.924 -4.981 1.00 0.00 C ATOM 364 CD1 LEU A 24 12.947 -5.040 -6.326 1.00 0.00 C ATOM 365 CD2 LEU A 24 14.678 -6.062 -4.840 1.00 0.00 C ATOM 0 H LEU A 24 12.783 -1.072 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 24 13.083 -3.338 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.168 -2.980 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.473 -3.741 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 24 12.933 -4.987 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.427 -5.997 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.225 -4.229 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.676 -4.977 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.160 -7.019 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.410 -5.999 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 24 15.187 -5.979 -3.880 1.00 0.00 H new HETATM 377 N CGU A 25 16.014 -1.962 -2.657 1.00 0.00 N HETATM 378 CA CGU A 25 17.131 -1.963 -1.670 1.00 0.00 C HETATM 379 C CGU A 25 16.621 -1.435 -0.327 1.00 0.00 C HETATM 380 O CGU A 25 16.950 -1.955 0.721 1.00 0.00 O HETATM 381 CB CGU A 25 18.260 -1.064 -2.180 1.00 0.00 C HETATM 382 CG CGU A 25 19.493 -1.914 -2.497 1.00 0.00 C HETATM 383 CD1 CGU A 25 19.930 -2.673 -1.243 1.00 0.00 C HETATM 384 CD2 CGU A 25 19.151 -2.913 -3.605 1.00 0.00 C HETATM 385 OE11 CGU A 25 19.355 -2.430 -0.196 1.00 0.00 O HETATM 386 OE12 CGU A 25 20.835 -3.484 -1.352 1.00 0.00 O HETATM 387 OE21 CGU A 25 19.282 -2.551 -4.762 1.00 0.00 O HETATM 388 OE22 CGU A 25 18.767 -4.023 -3.276 1.00 0.00 O HETATM 0 HG CGU A 25 20.304 -1.266 -2.828 1.00 0.00 H new HETATM 0 HB3 CGU A 25 17.936 -0.528 -3.072 1.00 0.00 H new HETATM 0 HB2 CGU A 25 18.507 -0.313 -1.430 1.00 0.00 H new HETATM 0 HA CGU A 25 17.506 -2.978 -1.542 1.00 0.00 H new HETATM 394 N CGU A 26 15.821 -0.403 -0.349 1.00 0.00 N HETATM 395 CA CGU A 26 15.292 0.158 0.926 1.00 0.00 C HETATM 396 C CGU A 26 14.144 -0.715 1.442 1.00 0.00 C HETATM 397 O CGU A 26 14.093 -1.054 2.605 1.00 0.00 O HETATM 398 CB CGU A 26 14.782 1.581 0.684 1.00 0.00 C HETATM 399 CG CGU A 26 15.589 2.574 1.525 1.00 0.00 C HETATM 400 CD1 CGU A 26 15.177 2.456 2.993 1.00 0.00 C HETATM 401 CD2 CGU A 26 17.082 2.269 1.389 1.00 0.00 C HETATM 402 OE11 CGU A 26 15.698 1.583 3.666 1.00 0.00 O HETATM 403 OE12 CGU A 26 14.347 3.243 3.419 1.00 0.00 O HETATM 404 OE21 CGU A 26 17.784 2.393 2.379 1.00 0.00 O HETATM 405 OE22 CGU A 26 17.499 1.918 0.297 1.00 0.00 O HETATM 0 HG CGU A 26 15.393 3.587 1.173 1.00 0.00 H new HETATM 0 HB3 CGU A 26 14.868 1.832 -0.373 1.00 0.00 H new HETATM 0 HB2 CGU A 26 13.725 1.647 0.943 1.00 0.00 H new HETATM 0 HA CGU A 26 16.090 0.177 1.668 1.00 0.00 H new ATOM 411 N ALA A 27 13.221 -1.083 0.593 1.00 0.00 N ATOM 412 CA ALA A 27 12.083 -1.932 1.057 1.00 0.00 C ATOM 413 C ALA A 27 12.622 -3.253 1.611 1.00 0.00 C ATOM 414 O ALA A 27 11.916 -3.996 2.264 1.00 0.00 O ATOM 415 CB ALA A 27 11.137 -2.220 -0.115 1.00 0.00 C ATOM 0 H ALA A 27 13.205 -0.835 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 27 11.538 -1.403 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.309 -2.840 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.748 -1.281 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.680 -2.745 -0.901 1.00 0.00 H new ATOM 421 N ARG A 28 13.864 -3.555 1.351 1.00 0.00 N ATOM 422 CA ARG A 28 14.443 -4.830 1.856 1.00 0.00 C ATOM 423 C ARG A 28 14.842 -4.689 3.313 1.00 0.00 C ATOM 424 O ARG A 28 14.445 -5.454 4.170 1.00 0.00 O ATOM 425 CB ARG A 28 15.663 -5.185 1.026 1.00 0.00 C ATOM 426 CG ARG A 28 15.325 -6.355 0.109 1.00 0.00 C ATOM 427 CD ARG A 28 16.609 -7.057 -0.324 1.00 0.00 C ATOM 428 NE ARG A 28 16.814 -8.279 0.503 1.00 0.00 N ATOM 429 CZ ARG A 28 17.652 -9.202 0.114 1.00 0.00 C ATOM 430 NH1 ARG A 28 18.321 -9.057 -0.998 1.00 0.00 N ATOM 431 NH2 ARG A 28 17.821 -10.271 0.841 1.00 0.00 N ATOM 0 H ARG A 28 14.503 -2.973 0.810 1.00 0.00 H new ATOM 0 HA ARG A 28 13.695 -5.619 1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.978 -4.325 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.497 -5.448 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.672 -7.058 0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.781 -5.999 -0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.551 -7.325 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.459 -6.384 -0.213 1.00 0.00 H new ATOM 0 HE ARG A 28 16.298 -8.395 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.190 -8.220 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.975 -9.780 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.300 -10.384 1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.475 -10.994 0.540 1.00 0.00 H new HETATM 445 N CGU A 29 15.634 -3.717 3.581 1.00 0.00 N HETATM 446 CA CGU A 29 16.108 -3.480 4.974 1.00 0.00 C HETATM 447 C CGU A 29 15.092 -2.622 5.733 1.00 0.00 C HETATM 448 O CGU A 29 15.260 -2.337 6.902 1.00 0.00 O HETATM 449 CB CGU A 29 17.453 -2.754 4.934 1.00 0.00 C HETATM 450 CG CGU A 29 18.381 -3.450 3.937 1.00 0.00 C HETATM 451 CD1 CGU A 29 19.220 -2.401 3.204 1.00 0.00 C HETATM 452 CD2 CGU A 29 19.307 -4.410 4.687 1.00 0.00 C HETATM 453 OE11 CGU A 29 20.386 -2.268 3.536 1.00 0.00 O HETATM 454 OE12 CGU A 29 18.681 -1.749 2.326 1.00 0.00 O HETATM 455 OE21 CGU A 29 19.539 -5.496 4.180 1.00 0.00 O HETATM 456 OE22 CGU A 29 19.769 -4.044 5.755 1.00 0.00 O HETATM 0 HG CGU A 29 17.786 -4.009 3.215 1.00 0.00 H new HETATM 0 HB3 CGU A 29 17.308 -1.713 4.646 1.00 0.00 H new HETATM 0 HB2 CGU A 29 17.905 -2.750 5.926 1.00 0.00 H new HETATM 0 HA CGU A 29 16.219 -4.438 5.482 1.00 0.00 H new ATOM 462 N VAL A 30 14.044 -2.203 5.080 1.00 0.00 N ATOM 463 CA VAL A 30 13.025 -1.358 5.769 1.00 0.00 C ATOM 464 C VAL A 30 11.970 -2.253 6.432 1.00 0.00 C ATOM 465 O VAL A 30 11.373 -1.884 7.424 1.00 0.00 O ATOM 466 CB VAL A 30 12.358 -0.428 4.743 1.00 0.00 C ATOM 467 CG1 VAL A 30 10.995 0.048 5.262 1.00 0.00 C ATOM 468 CG2 VAL A 30 13.256 0.789 4.508 1.00 0.00 C ATOM 0 H VAL A 30 13.848 -2.408 4.100 1.00 0.00 H new ATOM 0 HA VAL A 30 13.509 -0.757 6.538 1.00 0.00 H new ATOM 0 HB VAL A 30 12.213 -0.975 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.534 0.706 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.350 -0.814 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.131 0.591 6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.787 1.452 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.398 1.323 5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.223 0.460 4.128 1.00 0.00 H new ATOM 478 N PHE A 31 11.726 -3.419 5.898 1.00 0.00 N ATOM 479 CA PHE A 31 10.704 -4.310 6.511 1.00 0.00 C ATOM 480 C PHE A 31 11.392 -5.426 7.293 1.00 0.00 C ATOM 481 O PHE A 31 11.702 -6.471 6.757 1.00 0.00 O ATOM 482 CB PHE A 31 9.831 -4.941 5.424 1.00 0.00 C ATOM 483 CG PHE A 31 9.143 -3.864 4.615 1.00 0.00 C ATOM 484 CD1 PHE A 31 9.898 -2.930 3.892 1.00 0.00 C ATOM 485 CD2 PHE A 31 7.745 -3.804 4.585 1.00 0.00 C ATOM 486 CE1 PHE A 31 9.254 -1.938 3.143 1.00 0.00 C ATOM 487 CE2 PHE A 31 7.102 -2.813 3.836 1.00 0.00 C ATOM 488 CZ PHE A 31 7.855 -1.879 3.116 1.00 0.00 C ATOM 0 H PHE A 31 12.188 -3.790 5.068 1.00 0.00 H new ATOM 0 HA PHE A 31 10.083 -3.713 7.179 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.444 -5.561 4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.087 -5.595 5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.977 -2.976 3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.162 -4.524 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.836 -1.218 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.023 -2.769 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.358 -1.113 2.540 1.00 0.00 H new HETATM 498 N CGU A 32 11.613 -5.224 8.558 1.00 0.00 N HETATM 499 CA CGU A 32 12.259 -6.290 9.372 1.00 0.00 C HETATM 500 C CGU A 32 11.348 -7.510 9.370 1.00 0.00 C HETATM 501 O CGU A 32 11.769 -8.621 9.622 1.00 0.00 O HETATM 502 CB CGU A 32 12.425 -5.808 10.811 1.00 0.00 C HETATM 503 CG CGU A 32 13.494 -4.716 10.870 1.00 0.00 C HETATM 504 CD1 CGU A 32 12.854 -3.357 10.584 1.00 0.00 C HETATM 505 CD2 CGU A 32 14.125 -4.699 12.264 1.00 0.00 C HETATM 506 OE11 CGU A 32 12.340 -2.759 11.515 1.00 0.00 O HETATM 507 OE12 CGU A 32 12.890 -2.936 9.440 1.00 0.00 O HETATM 508 OE21 CGU A 32 13.756 -3.842 13.050 1.00 0.00 O HETATM 509 OE22 CGU A 32 14.968 -5.542 12.522 1.00 0.00 O HETATM 0 HG CGU A 32 14.262 -4.918 10.124 1.00 0.00 H new HETATM 0 HB3 CGU A 32 11.477 -5.423 11.187 1.00 0.00 H new HETATM 0 HB2 CGU A 32 12.708 -6.642 11.453 1.00 0.00 H new HETATM 0 HA CGU A 32 13.236 -6.534 8.955 1.00 0.00 H new ATOM 515 N ASP A 33 10.093 -7.295 9.095 1.00 0.00 N ATOM 516 CA ASP A 33 9.121 -8.414 9.080 1.00 0.00 C ATOM 517 C ASP A 33 9.739 -9.656 8.447 1.00 0.00 C ATOM 518 O ASP A 33 10.220 -9.622 7.335 1.00 0.00 O ATOM 519 CB ASP A 33 7.893 -7.997 8.284 1.00 0.00 C ATOM 520 CG ASP A 33 6.860 -7.367 9.221 1.00 0.00 C ATOM 521 OD1 ASP A 33 7.037 -7.470 10.424 1.00 0.00 O ATOM 522 OD2 ASP A 33 5.906 -6.794 8.720 1.00 0.00 O ATOM 0 H ASP A 33 9.698 -6.380 8.878 1.00 0.00 H new ATOM 0 HA ASP A 33 8.840 -8.651 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.175 -7.286 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.462 -8.863 7.782 1.00 0.00 H new ATOM 527 N ALA A 34 9.710 -10.760 9.144 1.00 0.00 N ATOM 528 CA ALA A 34 10.268 -12.013 8.571 1.00 0.00 C ATOM 529 C ALA A 34 9.222 -12.588 7.627 1.00 0.00 C ATOM 530 O ALA A 34 9.528 -13.193 6.618 1.00 0.00 O ATOM 531 CB ALA A 34 10.573 -13.008 9.685 1.00 0.00 C ATOM 0 H ALA A 34 9.324 -10.846 10.084 1.00 0.00 H new ATOM 0 HA ALA A 34 11.197 -11.811 8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.981 -13.922 9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.300 -12.574 10.371 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.656 -13.240 10.227 1.00 0.00 H new HETATM 537 N CGU A 35 7.978 -12.364 7.934 1.00 0.00 N HETATM 538 CA CGU A 35 6.900 -12.843 7.032 1.00 0.00 C HETATM 539 C CGU A 35 6.761 -11.827 5.901 1.00 0.00 C HETATM 540 O CGU A 35 6.916 -12.159 4.750 1.00 0.00 O HETATM 541 CB CGU A 35 5.556 -13.030 7.771 1.00 0.00 C HETATM 542 CG CGU A 35 5.377 -12.018 8.914 1.00 0.00 C HETATM 543 CD1 CGU A 35 3.889 -11.893 9.243 1.00 0.00 C HETATM 544 CD2 CGU A 35 6.121 -12.508 10.161 1.00 0.00 C HETATM 545 OE11 CGU A 35 3.312 -12.880 9.671 1.00 0.00 O HETATM 546 OE12 CGU A 35 3.351 -10.813 9.063 1.00 0.00 O HETATM 547 OE21 CGU A 35 6.409 -13.692 10.228 1.00 0.00 O HETATM 548 OE22 CGU A 35 6.390 -11.691 11.026 1.00 0.00 O HETATM 0 HG CGU A 35 5.777 -11.052 8.607 1.00 0.00 H new HETATM 0 HB3 CGU A 35 4.735 -12.923 7.062 1.00 0.00 H new HETATM 0 HB2 CGU A 35 5.501 -14.042 8.172 1.00 0.00 H new HETATM 0 HA CGU A 35 7.166 -13.825 6.641 1.00 0.00 H new ATOM 554 N GLN A 36 6.506 -10.580 6.205 1.00 0.00 N ATOM 555 CA GLN A 36 6.404 -9.588 5.106 1.00 0.00 C ATOM 556 C GLN A 36 7.664 -9.687 4.257 1.00 0.00 C ATOM 557 O GLN A 36 7.611 -9.581 3.060 1.00 0.00 O ATOM 558 CB GLN A 36 6.258 -8.177 5.641 1.00 0.00 C ATOM 559 CG GLN A 36 5.096 -8.102 6.632 1.00 0.00 C ATOM 560 CD GLN A 36 3.859 -8.770 6.027 1.00 0.00 C ATOM 561 OE1 GLN A 36 3.759 -9.981 6.000 1.00 0.00 O ATOM 562 NE2 GLN A 36 2.905 -8.025 5.537 1.00 0.00 N ATOM 0 H GLN A 36 6.367 -10.216 7.148 1.00 0.00 H new ATOM 0 HA GLN A 36 5.517 -9.807 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.182 -7.869 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.087 -7.484 4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.368 -8.596 7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.878 -7.062 6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.989 -7.009 5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.076 -8.459 5.132 1.00 0.00 H new ATOM 571 N THR A 37 8.810 -9.916 4.847 1.00 0.00 N ATOM 572 CA THR A 37 10.035 -10.031 3.988 1.00 0.00 C ATOM 573 C THR A 37 9.664 -10.849 2.743 1.00 0.00 C ATOM 574 O THR A 37 9.716 -10.368 1.636 1.00 0.00 O ATOM 575 CB THR A 37 11.171 -10.723 4.746 1.00 0.00 C ATOM 576 OG1 THR A 37 10.653 -11.371 5.890 1.00 0.00 O ATOM 577 CG2 THR A 37 12.205 -9.683 5.175 1.00 0.00 C ATOM 0 H THR A 37 8.953 -10.026 5.851 1.00 0.00 H new ATOM 0 HA THR A 37 10.381 -9.036 3.707 1.00 0.00 H new ATOM 0 HB THR A 37 11.643 -11.460 4.096 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.244 -12.222 5.627 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.014 -10.175 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.608 -9.185 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.732 -8.946 5.824 1.00 0.00 H new ATOM 585 N ASP A 38 9.236 -12.063 2.934 1.00 0.00 N ATOM 586 CA ASP A 38 8.803 -12.908 1.781 1.00 0.00 C ATOM 587 C ASP A 38 7.363 -12.539 1.395 1.00 0.00 C ATOM 588 O ASP A 38 7.123 -12.024 0.329 1.00 0.00 O ATOM 589 CB ASP A 38 8.902 -14.364 2.202 1.00 0.00 C ATOM 590 CG ASP A 38 8.012 -15.239 1.314 1.00 0.00 C ATOM 591 OD1 ASP A 38 8.256 -15.278 0.120 1.00 0.00 O ATOM 592 OD2 ASP A 38 7.103 -15.855 1.845 1.00 0.00 O ATOM 0 H ASP A 38 9.166 -12.513 3.846 1.00 0.00 H new ATOM 0 HA ASP A 38 9.438 -12.742 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.937 -14.699 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.602 -14.469 3.245 1.00 0.00 H new HETATM 597 N CGU A 39 6.409 -12.796 2.257 1.00 0.00 N HETATM 598 CA CGU A 39 4.982 -12.439 1.957 1.00 0.00 C HETATM 599 C CGU A 39 4.948 -11.139 1.150 1.00 0.00 C HETATM 600 O CGU A 39 4.545 -11.112 0.004 1.00 0.00 O HETATM 601 CB CGU A 39 4.242 -12.228 3.280 1.00 0.00 C HETATM 602 CG CGU A 39 3.540 -13.522 3.695 1.00 0.00 C HETATM 603 CD1 CGU A 39 2.360 -13.793 2.761 1.00 0.00 C HETATM 604 CD2 CGU A 39 4.529 -14.687 3.617 1.00 0.00 C HETATM 605 OE11 CGU A 39 1.262 -13.381 3.094 1.00 0.00 O HETATM 606 OE12 CGU A 39 2.575 -14.412 1.731 1.00 0.00 O HETATM 607 OE21 CGU A 39 4.995 -15.114 4.662 1.00 0.00 O HETATM 608 OE22 CGU A 39 4.805 -15.132 2.516 1.00 0.00 O HETATM 0 HN2 CGU A 39 6.623 -13.639 2.791 1.00 0.00 H new HETATM 0 HG CGU A 39 3.175 -13.421 4.717 1.00 0.00 H new HETATM 0 HB3 CGU A 39 4.944 -11.920 4.055 1.00 0.00 H new HETATM 0 HB2 CGU A 39 3.512 -11.425 3.175 1.00 0.00 H new HETATM 0 HA CGU A 39 4.508 -13.237 1.385 1.00 0.00 H new ATOM 614 N PHE A 40 5.396 -10.073 1.746 1.00 0.00 N ATOM 615 CA PHE A 40 5.438 -8.759 1.046 1.00 0.00 C ATOM 616 C PHE A 40 5.869 -8.969 -0.405 1.00 0.00 C ATOM 617 O PHE A 40 5.256 -8.460 -1.315 1.00 0.00 O ATOM 618 CB PHE A 40 6.465 -7.880 1.758 1.00 0.00 C ATOM 619 CG PHE A 40 6.268 -6.433 1.432 1.00 0.00 C ATOM 620 CD1 PHE A 40 6.843 -5.884 0.281 1.00 0.00 C ATOM 621 CD2 PHE A 40 5.527 -5.638 2.304 1.00 0.00 C ATOM 622 CE1 PHE A 40 6.672 -4.529 -0.004 1.00 0.00 C ATOM 623 CE2 PHE A 40 5.355 -4.276 2.024 1.00 0.00 C ATOM 624 CZ PHE A 40 5.929 -3.722 0.867 1.00 0.00 C ATOM 0 H PHE A 40 5.741 -10.055 2.706 1.00 0.00 H new ATOM 0 HA PHE A 40 4.455 -8.288 1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.385 -8.025 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.470 -8.186 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.419 -6.508 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.087 -6.069 3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.111 -4.103 -0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.783 -3.653 2.696 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.797 -2.672 0.649 1.00 0.00 H new ATOM 634 N TRP A 41 6.935 -9.698 -0.615 1.00 0.00 N ATOM 635 CA TRP A 41 7.441 -9.942 -1.998 1.00 0.00 C ATOM 636 C TRP A 41 6.660 -11.070 -2.713 1.00 0.00 C ATOM 637 O TRP A 41 5.919 -10.816 -3.641 1.00 0.00 O ATOM 638 CB TRP A 41 8.926 -10.319 -1.921 1.00 0.00 C ATOM 639 CG TRP A 41 9.770 -9.198 -1.397 1.00 0.00 C ATOM 640 CD1 TRP A 41 10.732 -9.361 -0.457 1.00 0.00 C ATOM 641 CD2 TRP A 41 9.783 -7.779 -1.753 1.00 0.00 C ATOM 642 NE1 TRP A 41 11.321 -8.137 -0.201 1.00 0.00 N ATOM 643 CE2 TRP A 41 10.775 -7.132 -0.974 1.00 0.00 C ATOM 644 CE3 TRP A 41 9.042 -6.994 -2.657 1.00 0.00 C ATOM 645 CZ2 TRP A 41 11.020 -5.763 -1.088 1.00 0.00 C ATOM 646 CZ3 TRP A 41 9.288 -5.617 -2.774 1.00 0.00 C ATOM 647 CH2 TRP A 41 10.274 -5.003 -1.991 1.00 0.00 C ATOM 0 H TRP A 41 7.483 -10.140 0.123 1.00 0.00 H new ATOM 0 HA TRP A 41 7.301 -9.029 -2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.044 -11.191 -1.278 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.278 -10.604 -2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.996 -10.296 0.016 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.069 -7.994 0.477 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.278 -7.455 -3.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.781 -5.295 -0.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.713 -5.027 -3.472 1.00 0.00 H new ATOM 0 HH2 TRP A 41 10.457 -3.943 -2.086 1.00 0.00 H new ATOM 658 N SER A 42 6.842 -12.314 -2.327 1.00 0.00 N ATOM 659 CA SER A 42 6.135 -13.428 -3.025 1.00 0.00 C ATOM 660 C SER A 42 4.637 -13.176 -3.059 1.00 0.00 C ATOM 661 O SER A 42 4.030 -13.083 -4.106 1.00 0.00 O ATOM 662 CB SER A 42 6.421 -14.748 -2.303 1.00 0.00 C ATOM 663 OG SER A 42 5.341 -15.061 -1.434 1.00 0.00 O ATOM 0 H SER A 42 7.450 -12.601 -1.560 1.00 0.00 H new ATOM 0 HA SER A 42 6.499 -13.484 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.560 -15.549 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.347 -14.669 -1.734 1.00 0.00 H new ATOM 0 HG SER A 42 5.525 -15.907 -0.974 1.00 0.00 H new ATOM 669 N LYS A 43 4.045 -13.072 -1.924 1.00 0.00 N ATOM 670 CA LYS A 43 2.579 -12.831 -1.866 1.00 0.00 C ATOM 671 C LYS A 43 2.273 -11.483 -2.526 1.00 0.00 C ATOM 672 O LYS A 43 1.136 -11.171 -2.823 1.00 0.00 O ATOM 673 CB LYS A 43 2.130 -12.837 -0.394 1.00 0.00 C ATOM 674 CG LYS A 43 0.990 -11.838 -0.174 1.00 0.00 C ATOM 675 CD LYS A 43 0.186 -12.240 1.063 1.00 0.00 C ATOM 676 CE LYS A 43 -1.289 -11.900 0.844 1.00 0.00 C ATOM 677 NZ LYS A 43 -1.839 -12.758 -0.244 1.00 0.00 N ATOM 0 H LYS A 43 4.509 -13.143 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 43 2.038 -13.613 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.803 -13.838 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.972 -12.583 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.393 -10.833 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.341 -11.813 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.300 -13.307 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.564 -11.717 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.850 -12.057 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.396 -10.848 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.830 -12.994 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.790 -12.246 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.282 -13.633 -0.311 1.00 0.00 H new ATOM 691 N TYR A 44 3.277 -10.683 -2.755 1.00 0.00 N ATOM 692 CA TYR A 44 3.039 -9.361 -3.388 1.00 0.00 C ATOM 693 C TYR A 44 2.051 -9.531 -4.535 1.00 0.00 C ATOM 694 O TYR A 44 0.959 -9.023 -4.463 1.00 0.00 O ATOM 695 CB TYR A 44 4.353 -8.770 -3.919 1.00 0.00 C ATOM 696 CG TYR A 44 4.188 -7.278 -4.144 1.00 0.00 C ATOM 697 CD1 TYR A 44 2.908 -6.696 -4.176 1.00 0.00 C ATOM 698 CD2 TYR A 44 5.320 -6.476 -4.326 1.00 0.00 C ATOM 699 CE1 TYR A 44 2.763 -5.322 -4.390 1.00 0.00 C ATOM 700 CE2 TYR A 44 5.177 -5.100 -4.537 1.00 0.00 C ATOM 701 CZ TYR A 44 3.899 -4.521 -4.571 1.00 0.00 C ATOM 702 OH TYR A 44 3.762 -3.164 -4.784 1.00 0.00 O ATOM 0 H TYR A 44 4.250 -10.889 -2.531 1.00 0.00 H new ATOM 0 HA TYR A 44 2.632 -8.677 -2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.159 -8.954 -3.209 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.633 -9.260 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.033 -7.313 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.305 -6.919 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.778 -4.879 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.052 -4.482 -4.674 1.00 0.00 H new ATOM 0 HH TYR A 44 3.484 -3.005 -5.710 1.00 0.00 H new ATOM 712 N LYS A 45 2.445 -10.247 -5.570 1.00 0.00 N ATOM 713 CA LYS A 45 1.556 -10.487 -6.771 1.00 0.00 C ATOM 714 C LYS A 45 0.094 -10.146 -6.458 1.00 0.00 C ATOM 715 O LYS A 45 -0.732 -11.019 -6.282 1.00 0.00 O ATOM 716 CB LYS A 45 1.639 -11.958 -7.178 1.00 0.00 C ATOM 717 CG LYS A 45 3.078 -12.456 -7.033 1.00 0.00 C ATOM 718 CD LYS A 45 3.196 -13.859 -7.631 1.00 0.00 C ATOM 719 CE LYS A 45 2.859 -13.810 -9.122 1.00 0.00 C ATOM 720 NZ LYS A 45 1.516 -14.414 -9.348 1.00 0.00 N ATOM 0 H LYS A 45 3.364 -10.685 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 45 1.901 -9.844 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.973 -12.555 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.305 -12.079 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.762 -11.775 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.364 -12.472 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.206 -14.242 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.520 -14.543 -7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.870 -12.779 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.613 -14.350 -9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.132 -14.077 -10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.601 -15.450 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.876 -14.137 -8.576 1.00 0.00 H new ATOM 734 N ASP A 46 -0.225 -8.882 -6.361 1.00 0.00 N ATOM 735 CA ASP A 46 -1.623 -8.492 -6.028 1.00 0.00 C ATOM 736 C ASP A 46 -1.874 -7.029 -6.406 1.00 0.00 C ATOM 737 O ASP A 46 -2.985 -6.641 -6.711 1.00 0.00 O ATOM 738 CB ASP A 46 -1.839 -8.664 -4.519 1.00 0.00 C ATOM 739 CG ASP A 46 -3.262 -9.163 -4.262 1.00 0.00 C ATOM 740 OD1 ASP A 46 -4.163 -8.692 -4.935 1.00 0.00 O ATOM 741 OD2 ASP A 46 -3.426 -10.008 -3.398 1.00 0.00 O ATOM 0 H ASP A 46 0.422 -8.106 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.313 -9.124 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.115 -9.372 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.677 -7.716 -4.007 1.00 0.00 H new ATOM 746 N GLY A 47 -0.862 -6.203 -6.356 1.00 0.00 N ATOM 747 CA GLY A 47 -1.060 -4.765 -6.674 1.00 0.00 C ATOM 748 C GLY A 47 -1.029 -3.978 -5.362 1.00 0.00 C ATOM 749 O GLY A 47 -1.453 -2.846 -5.294 1.00 0.00 O ATOM 0 H GLY A 47 0.092 -6.466 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.278 -4.413 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.011 -4.616 -7.185 1.00 0.00 H new ATOM 753 N ASP A 48 -0.531 -4.591 -4.319 1.00 0.00 N ATOM 754 CA ASP A 48 -0.461 -3.908 -2.981 1.00 0.00 C ATOM 755 C ASP A 48 -1.865 -3.792 -2.378 1.00 0.00 C ATOM 756 O ASP A 48 -2.051 -3.148 -1.370 1.00 0.00 O ATOM 757 CB ASP A 48 0.200 -2.523 -3.123 1.00 0.00 C ATOM 758 CG ASP A 48 -0.844 -1.402 -3.268 1.00 0.00 C ATOM 759 OD1 ASP A 48 -1.536 -1.130 -2.302 1.00 0.00 O ATOM 760 OD2 ASP A 48 -0.919 -0.824 -4.340 1.00 0.00 O ATOM 0 H ASP A 48 -0.166 -5.543 -4.332 1.00 0.00 H new ATOM 0 HA ASP A 48 0.152 -4.505 -2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.824 -2.327 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.857 -2.522 -3.992 1.00 0.00 H new ATOM 765 N GLN A 49 -2.841 -4.435 -2.978 1.00 0.00 N ATOM 766 CA GLN A 49 -4.241 -4.401 -2.437 1.00 0.00 C ATOM 767 C GLN A 49 -4.964 -3.101 -2.809 1.00 0.00 C ATOM 768 O GLN A 49 -6.177 -3.062 -2.865 1.00 0.00 O ATOM 769 CB GLN A 49 -4.213 -4.556 -0.920 1.00 0.00 C ATOM 770 CG GLN A 49 -3.636 -5.927 -0.577 1.00 0.00 C ATOM 771 CD GLN A 49 -4.646 -7.016 -0.950 1.00 0.00 C ATOM 772 OE1 GLN A 49 -5.624 -6.750 -1.619 1.00 0.00 O ATOM 773 NE2 GLN A 49 -4.447 -8.241 -0.542 1.00 0.00 N ATOM 0 H GLN A 49 -2.727 -4.987 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.790 -5.229 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.608 -3.769 -0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.219 -4.457 -0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.701 -6.084 -1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.405 -5.980 0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.626 -8.464 0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.113 -8.974 -0.785 1.00 0.00 H new ATOM 782 N CYS A 50 -4.253 -2.038 -3.055 1.00 0.00 N ATOM 783 CA CYS A 50 -4.945 -0.763 -3.408 1.00 0.00 C ATOM 784 C CYS A 50 -4.671 -0.395 -4.871 1.00 0.00 C ATOM 785 O CYS A 50 -5.327 0.459 -5.431 1.00 0.00 O ATOM 786 CB CYS A 50 -4.448 0.361 -2.495 1.00 0.00 C ATOM 787 SG CYS A 50 -5.521 1.811 -2.678 1.00 0.00 S ATOM 0 H CYS A 50 -3.234 -1.993 -3.028 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.018 -0.896 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.445 0.026 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.420 0.622 -2.748 1.00 0.00 H new ATOM 792 N GLU A 51 -3.704 -1.013 -5.492 1.00 0.00 N ATOM 793 CA GLU A 51 -3.395 -0.673 -6.914 1.00 0.00 C ATOM 794 C GLU A 51 -4.639 -0.809 -7.810 1.00 0.00 C ATOM 795 O GLU A 51 -4.684 -0.265 -8.895 1.00 0.00 O ATOM 796 CB GLU A 51 -2.316 -1.622 -7.427 1.00 0.00 C ATOM 797 CG GLU A 51 -2.074 -1.362 -8.914 1.00 0.00 C ATOM 798 CD GLU A 51 -0.625 -1.707 -9.263 1.00 0.00 C ATOM 799 OE1 GLU A 51 -0.158 -2.739 -8.811 1.00 0.00 O ATOM 800 OE2 GLU A 51 -0.008 -0.933 -9.976 1.00 0.00 O ATOM 0 H GLU A 51 -3.115 -1.737 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.055 0.362 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.393 -1.477 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.623 -2.656 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.757 -1.963 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.277 -0.317 -9.149 1.00 0.00 H new ATOM 807 N GLY A 52 -5.633 -1.547 -7.392 1.00 0.00 N ATOM 808 CA GLY A 52 -6.842 -1.725 -8.256 1.00 0.00 C ATOM 809 C GLY A 52 -7.949 -0.734 -7.874 1.00 0.00 C ATOM 810 O GLY A 52 -9.107 -0.954 -8.166 1.00 0.00 O ATOM 0 H GLY A 52 -5.663 -2.033 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.569 -1.583 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.214 -2.745 -8.159 1.00 0.00 H new ATOM 814 N HIS A 53 -7.613 0.352 -7.233 1.00 0.00 N ATOM 815 CA HIS A 53 -8.660 1.344 -6.846 1.00 0.00 C ATOM 816 C HIS A 53 -9.891 0.610 -6.296 1.00 0.00 C ATOM 817 O HIS A 53 -10.990 0.803 -6.776 1.00 0.00 O ATOM 818 CB HIS A 53 -9.063 2.160 -8.075 1.00 0.00 C ATOM 819 CG HIS A 53 -9.722 3.438 -7.635 1.00 0.00 C ATOM 820 ND1 HIS A 53 -9.223 4.207 -6.596 1.00 0.00 N ATOM 821 CD2 HIS A 53 -10.841 4.094 -8.084 1.00 0.00 C ATOM 822 CE1 HIS A 53 -10.034 5.272 -6.455 1.00 0.00 C ATOM 823 NE2 HIS A 53 -11.036 5.253 -7.338 1.00 0.00 N ATOM 0 H HIS A 53 -6.661 0.596 -6.960 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.263 2.008 -6.078 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.185 2.381 -8.682 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.745 1.583 -8.700 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.474 3.761 -8.893 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.892 6.048 -5.717 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -11.783 5.940 -7.443 1.00 0.00 H new ATOM 831 N PRO A 54 -9.663 -0.215 -5.306 1.00 0.00 N ATOM 832 CA PRO A 54 -10.736 -1.006 -4.667 1.00 0.00 C ATOM 833 C PRO A 54 -11.846 -0.111 -4.103 1.00 0.00 C ATOM 834 O PRO A 54 -13.011 -0.445 -4.171 1.00 0.00 O ATOM 835 CB PRO A 54 -10.039 -1.748 -3.520 1.00 0.00 C ATOM 836 CG PRO A 54 -8.531 -1.398 -3.573 1.00 0.00 C ATOM 837 CD PRO A 54 -8.317 -0.430 -4.742 1.00 0.00 C ATOM 0 HA PRO A 54 -11.215 -1.672 -5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.465 -1.454 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.185 -2.824 -3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.211 -0.942 -2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -7.934 -2.300 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.876 0.507 -4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.640 -0.851 -5.485 1.00 0.00 H new ATOM 845 N CYS A 55 -11.498 1.003 -3.522 1.00 0.00 N ATOM 846 CA CYS A 55 -12.545 1.891 -2.925 1.00 0.00 C ATOM 847 C CYS A 55 -13.152 2.795 -4.000 1.00 0.00 C ATOM 848 O CYS A 55 -12.567 3.026 -5.039 1.00 0.00 O ATOM 849 CB CYS A 55 -11.935 2.758 -1.813 1.00 0.00 C ATOM 850 SG CYS A 55 -10.520 1.906 -1.064 1.00 0.00 S ATOM 0 H CYS A 55 -10.539 1.340 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 55 -13.328 1.262 -2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.617 3.717 -2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.687 2.969 -1.052 1.00 0.00 H new ATOM 855 N LEU A 56 -14.332 3.305 -3.753 1.00 0.00 N ATOM 856 CA LEU A 56 -14.997 4.192 -4.746 1.00 0.00 C ATOM 857 C LEU A 56 -15.783 5.274 -4.016 1.00 0.00 C ATOM 858 O LEU A 56 -15.733 5.392 -2.809 1.00 0.00 O ATOM 859 CB LEU A 56 -15.990 3.381 -5.574 1.00 0.00 C ATOM 860 CG LEU A 56 -15.356 2.834 -6.853 1.00 0.00 C ATOM 861 CD1 LEU A 56 -16.478 2.475 -7.824 1.00 0.00 C ATOM 862 CD2 LEU A 56 -14.451 3.886 -7.500 1.00 0.00 C ATOM 0 H LEU A 56 -14.864 3.142 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.234 4.634 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -16.371 2.553 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.844 4.007 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.752 1.959 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.049 2.082 -8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.122 1.721 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.065 3.366 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.010 3.477 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.040 4.769 -7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.659 4.162 -6.804 1.00 0.00 H new ATOM 874 N ASN A 57 -16.538 6.043 -4.748 1.00 0.00 N ATOM 875 CA ASN A 57 -17.361 7.104 -4.115 1.00 0.00 C ATOM 876 C ASN A 57 -16.529 7.894 -3.116 1.00 0.00 C ATOM 877 O ASN A 57 -16.857 8.000 -1.951 1.00 0.00 O ATOM 878 CB ASN A 57 -18.562 6.445 -3.442 1.00 0.00 C ATOM 879 CG ASN A 57 -19.741 6.491 -4.421 1.00 0.00 C ATOM 880 OD1 ASN A 57 -20.407 7.499 -4.550 1.00 0.00 O ATOM 881 ND2 ASN A 57 -20.013 5.439 -5.143 1.00 0.00 N ATOM 0 H ASN A 57 -16.619 5.980 -5.763 1.00 0.00 H new ATOM 0 HA ASN A 57 -17.714 7.808 -4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.330 5.414 -3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.814 6.966 -2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -20.782 5.465 -5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.457 4.591 -5.038 1.00 0.00 H new ATOM 888 N GLN A 58 -15.468 8.486 -3.589 1.00 0.00 N ATOM 889 CA GLN A 58 -14.619 9.316 -2.703 1.00 0.00 C ATOM 890 C GLN A 58 -14.229 8.510 -1.469 1.00 0.00 C ATOM 891 O GLN A 58 -14.029 9.047 -0.397 1.00 0.00 O ATOM 892 CB GLN A 58 -15.416 10.551 -2.284 1.00 0.00 C ATOM 893 CG GLN A 58 -16.386 10.955 -3.405 1.00 0.00 C ATOM 894 CD GLN A 58 -17.373 11.994 -2.868 1.00 0.00 C ATOM 895 OE1 GLN A 58 -17.969 11.801 -1.827 1.00 0.00 O ATOM 896 NE2 GLN A 58 -17.571 13.098 -3.537 1.00 0.00 N ATOM 0 H GLN A 58 -15.154 8.428 -4.558 1.00 0.00 H new ATOM 0 HA GLN A 58 -13.713 9.619 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.971 10.343 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.737 11.375 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.833 11.364 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -16.924 10.080 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -17.071 13.261 -4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -18.225 13.797 -3.185 1.00 0.00 H new ATOM 905 N GLY A 59 -14.121 7.224 -1.615 1.00 0.00 N ATOM 906 CA GLY A 59 -13.746 6.370 -0.454 1.00 0.00 C ATOM 907 C GLY A 59 -12.228 6.384 -0.272 1.00 0.00 C ATOM 908 O GLY A 59 -11.480 6.358 -1.229 1.00 0.00 O ATOM 0 H GLY A 59 -14.276 6.723 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.234 6.734 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.093 5.349 -0.614 1.00 0.00 H new ATOM 912 N HIS A 60 -11.764 6.408 0.949 1.00 0.00 N ATOM 913 CA HIS A 60 -10.293 6.403 1.179 1.00 0.00 C ATOM 914 C HIS A 60 -9.795 4.970 1.020 1.00 0.00 C ATOM 915 O HIS A 60 -10.520 4.027 1.267 1.00 0.00 O ATOM 916 CB HIS A 60 -9.988 6.908 2.592 1.00 0.00 C ATOM 917 CG HIS A 60 -10.067 8.411 2.623 1.00 0.00 C ATOM 918 ND1 HIS A 60 -10.100 9.178 1.466 1.00 0.00 N ATOM 919 CD2 HIS A 60 -10.120 9.305 3.664 1.00 0.00 C ATOM 920 CE1 HIS A 60 -10.169 10.469 1.838 1.00 0.00 C ATOM 921 NE2 HIS A 60 -10.184 10.603 3.166 1.00 0.00 N ATOM 0 H HIS A 60 -12.338 6.431 1.792 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.795 7.057 0.463 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.698 6.482 3.302 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.995 6.580 2.899 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.113 9.041 4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.208 11.297 1.146 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.232 11.470 3.701 1.00 0.00 H new ATOM 929 N CYS A 61 -8.581 4.787 0.586 1.00 0.00 N ATOM 930 CA CYS A 61 -8.086 3.399 0.392 1.00 0.00 C ATOM 931 C CYS A 61 -6.869 3.118 1.269 1.00 0.00 C ATOM 932 O CYS A 61 -5.795 3.644 1.052 1.00 0.00 O ATOM 933 CB CYS A 61 -7.685 3.203 -1.069 1.00 0.00 C ATOM 934 SG CYS A 61 -6.962 1.554 -1.283 1.00 0.00 S ATOM 0 H CYS A 61 -7.918 5.528 0.360 1.00 0.00 H new ATOM 0 HA CYS A 61 -8.887 2.714 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.556 3.316 -1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.967 3.968 -1.366 1.00 0.00 H new ATOM 939 N LYS A 62 -7.014 2.239 2.215 1.00 0.00 N ATOM 940 CA LYS A 62 -5.856 1.858 3.059 1.00 0.00 C ATOM 941 C LYS A 62 -5.314 0.572 2.448 1.00 0.00 C ATOM 942 O LYS A 62 -5.813 0.126 1.434 1.00 0.00 O ATOM 943 CB LYS A 62 -6.297 1.624 4.509 1.00 0.00 C ATOM 944 CG LYS A 62 -5.350 2.366 5.458 1.00 0.00 C ATOM 945 CD LYS A 62 -6.107 3.493 6.165 1.00 0.00 C ATOM 946 CE LYS A 62 -5.904 3.377 7.677 1.00 0.00 C ATOM 947 NZ LYS A 62 -6.410 2.056 8.146 1.00 0.00 N ATOM 0 H LYS A 62 -7.889 1.766 2.440 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.100 2.643 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.319 1.975 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.292 0.557 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.940 1.673 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.507 2.775 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.750 4.461 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.169 3.438 5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.847 3.481 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.431 4.183 8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.750 2.142 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.192 1.747 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.642 1.356 8.106 1.00 0.00 H new HETATM 961 N BHD A 63 -4.307 -0.033 2.995 1.00 0.00 N HETATM 962 CA BHD A 63 -3.810 -1.259 2.337 1.00 0.00 C HETATM 963 CB BHD A 63 -2.779 -0.850 1.293 1.00 0.00 C HETATM 964 OB BHD A 63 -3.200 0.329 0.626 1.00 0.00 O HETATM 965 CG BHD A 63 -1.455 -0.513 1.970 1.00 0.00 C HETATM 966 OD1 BHD A 63 -1.359 0.563 2.534 1.00 0.00 O HETATM 967 OD2 BHD A 63 -0.564 -1.341 1.921 1.00 0.00 O HETATM 968 C BHD A 63 -3.178 -2.230 3.336 1.00 0.00 C HETATM 969 O BHD A 63 -3.554 -2.306 4.489 1.00 0.00 O HETATM 0 HOB BHD A 63 -2.720 1.101 0.992 1.00 0.00 H new HETATM 0 HB BHD A 63 -2.667 -1.680 0.595 1.00 0.00 H new HETATM 0 HA BHD A 63 -4.651 -1.776 1.876 1.00 0.00 H new ATOM 974 N GLY A 64 -2.231 -2.992 2.866 1.00 0.00 N ATOM 975 CA GLY A 64 -1.553 -4.003 3.722 1.00 0.00 C ATOM 976 C GLY A 64 -1.451 -5.296 2.911 1.00 0.00 C ATOM 977 O GLY A 64 -2.403 -5.716 2.289 1.00 0.00 O ATOM 0 H GLY A 64 -1.892 -2.955 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.563 -3.655 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.117 -4.169 4.640 1.00 0.00 H new ATOM 981 N ILE A 65 -0.311 -5.923 2.883 1.00 0.00 N ATOM 982 CA ILE A 65 -0.188 -7.170 2.076 1.00 0.00 C ATOM 983 C ILE A 65 -1.410 -8.067 2.344 1.00 0.00 C ATOM 984 O ILE A 65 -2.120 -8.448 1.435 1.00 0.00 O ATOM 985 CB ILE A 65 1.137 -7.891 2.437 1.00 0.00 C ATOM 986 CG1 ILE A 65 2.152 -7.865 1.266 1.00 0.00 C ATOM 987 CG2 ILE A 65 0.883 -9.351 2.825 1.00 0.00 C ATOM 988 CD1 ILE A 65 1.457 -7.718 -0.097 1.00 0.00 C ATOM 0 H ILE A 65 0.533 -5.632 3.377 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.163 -6.933 1.012 1.00 0.00 H new ATOM 0 HB ILE A 65 1.558 -7.348 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.848 -7.039 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.740 -8.783 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.829 -9.832 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.220 -9.388 3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.419 -9.874 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.207 -7.704 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.780 -8.558 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.890 -6.787 -0.118 1.00 0.00 H new ATOM 1000 N GLY A 66 -1.658 -8.405 3.580 1.00 0.00 N ATOM 1001 CA GLY A 66 -2.829 -9.274 3.895 1.00 0.00 C ATOM 1002 C GLY A 66 -4.049 -8.797 3.103 1.00 0.00 C ATOM 1003 O GLY A 66 -4.783 -9.585 2.539 1.00 0.00 O ATOM 0 H GLY A 66 -1.101 -8.118 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.603 -10.311 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.041 -9.242 4.964 1.00 0.00 H new ATOM 1007 N ASP A 67 -4.264 -7.512 3.052 1.00 0.00 N ATOM 1008 CA ASP A 67 -5.431 -6.975 2.292 1.00 0.00 C ATOM 1009 C ASP A 67 -5.475 -5.450 2.424 1.00 0.00 C ATOM 1010 O ASP A 67 -4.472 -4.805 2.645 1.00 0.00 O ATOM 1011 CB ASP A 67 -6.734 -7.580 2.826 1.00 0.00 C ATOM 1012 CG ASP A 67 -7.112 -6.914 4.151 1.00 0.00 C ATOM 1013 OD1 ASP A 67 -6.671 -7.397 5.181 1.00 0.00 O ATOM 1014 OD2 ASP A 67 -7.838 -5.934 4.113 1.00 0.00 O ATOM 0 H ASP A 67 -3.681 -6.808 3.504 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.323 -7.244 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.534 -7.443 2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.615 -8.654 2.970 1.00 0.00 H new ATOM 1019 N TYR A 68 -6.628 -4.863 2.279 1.00 0.00 N ATOM 1020 CA TYR A 68 -6.718 -3.381 2.381 1.00 0.00 C ATOM 1021 C TYR A 68 -8.042 -2.982 3.035 1.00 0.00 C ATOM 1022 O TYR A 68 -9.002 -3.727 3.029 1.00 0.00 O ATOM 1023 CB TYR A 68 -6.658 -2.783 0.982 1.00 0.00 C ATOM 1024 CG TYR A 68 -7.648 -3.498 0.094 1.00 0.00 C ATOM 1025 CD1 TYR A 68 -7.436 -4.840 -0.244 1.00 0.00 C ATOM 1026 CD2 TYR A 68 -8.774 -2.824 -0.395 1.00 0.00 C ATOM 1027 CE1 TYR A 68 -8.336 -5.508 -1.069 1.00 0.00 C ATOM 1028 CE2 TYR A 68 -9.681 -3.496 -1.226 1.00 0.00 C ATOM 1029 CZ TYR A 68 -9.460 -4.838 -1.564 1.00 0.00 C ATOM 1030 OH TYR A 68 -10.353 -5.500 -2.382 1.00 0.00 O ATOM 0 H TYR A 68 -7.509 -5.343 2.095 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.890 -3.011 2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.887 -1.718 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.651 -2.879 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.569 -5.360 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.943 -1.790 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.167 -6.543 -1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.550 -2.980 -1.606 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.077 -4.891 -2.636 1.00 0.00 H new ATOM 1040 N THR A 69 -8.097 -1.808 3.596 1.00 0.00 N ATOM 1041 CA THR A 69 -9.336 -1.338 4.248 1.00 0.00 C ATOM 1042 C THR A 69 -9.775 -0.030 3.604 1.00 0.00 C ATOM 1043 O THR A 69 -9.099 0.970 3.709 1.00 0.00 O ATOM 1044 CB THR A 69 -9.033 -1.081 5.707 1.00 0.00 C ATOM 1045 OG1 THR A 69 -7.987 -0.124 5.813 1.00 0.00 O ATOM 1046 CG2 THR A 69 -8.606 -2.382 6.362 1.00 0.00 C ATOM 0 H THR A 69 -7.320 -1.148 3.628 1.00 0.00 H new ATOM 0 HA THR A 69 -10.124 -2.084 4.143 1.00 0.00 H new ATOM 0 HB THR A 69 -9.922 -0.696 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.748 -0.004 6.756 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.386 -2.204 7.415 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.410 -3.113 6.278 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.715 -2.764 5.864 1.00 0.00 H new ATOM 1054 N CYS A 70 -10.898 -0.010 2.953 1.00 0.00 N ATOM 1055 CA CYS A 70 -11.347 1.241 2.327 1.00 0.00 C ATOM 1056 C CYS A 70 -12.080 2.079 3.367 1.00 0.00 C ATOM 1057 O CYS A 70 -12.038 1.809 4.551 1.00 0.00 O ATOM 1058 CB CYS A 70 -12.284 0.926 1.162 1.00 0.00 C ATOM 1059 SG CYS A 70 -11.323 0.260 -0.215 1.00 0.00 S ATOM 0 H CYS A 70 -11.520 -0.809 2.831 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.487 1.794 1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -13.041 0.206 1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -12.811 1.828 0.850 1.00 0.00 H new ATOM 1064 N THR A 71 -12.748 3.089 2.923 1.00 0.00 N ATOM 1065 CA THR A 71 -13.502 3.974 3.862 1.00 0.00 C ATOM 1066 C THR A 71 -14.554 4.762 3.077 1.00 0.00 C ATOM 1067 O THR A 71 -14.233 5.498 2.166 1.00 0.00 O ATOM 1068 CB THR A 71 -12.530 4.947 4.531 1.00 0.00 C ATOM 1069 OG1 THR A 71 -11.278 4.306 4.730 1.00 0.00 O ATOM 1070 CG2 THR A 71 -13.095 5.394 5.874 1.00 0.00 C ATOM 0 H THR A 71 -12.812 3.352 1.940 1.00 0.00 H new ATOM 0 HA THR A 71 -13.993 3.369 4.624 1.00 0.00 H new ATOM 0 HB THR A 71 -12.393 5.818 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.425 3.398 5.069 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.400 6.087 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.053 5.890 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.236 4.525 6.517 1.00 0.00 H new ATOM 1078 N CYS A 72 -15.805 4.618 3.419 1.00 0.00 N ATOM 1079 CA CYS A 72 -16.862 5.367 2.681 1.00 0.00 C ATOM 1080 C CYS A 72 -17.088 6.728 3.354 1.00 0.00 C ATOM 1081 O CYS A 72 -17.515 6.802 4.489 1.00 0.00 O ATOM 1082 CB CYS A 72 -18.166 4.566 2.698 1.00 0.00 C ATOM 1083 SG CYS A 72 -17.943 3.022 1.777 1.00 0.00 S ATOM 0 H CYS A 72 -16.140 4.018 4.173 1.00 0.00 H new ATOM 0 HA CYS A 72 -16.545 5.519 1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -18.458 4.349 3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -18.971 5.153 2.255 1.00 0.00 H new ATOM 1088 N ALA A 73 -16.805 7.808 2.670 1.00 0.00 N ATOM 1089 CA ALA A 73 -17.005 9.152 3.278 1.00 0.00 C ATOM 1090 C ALA A 73 -18.397 9.250 3.889 1.00 0.00 C ATOM 1091 O ALA A 73 -19.184 8.326 3.829 1.00 0.00 O ATOM 1092 CB ALA A 73 -16.886 10.216 2.199 1.00 0.00 C ATOM 0 H ALA A 73 -16.444 7.814 1.716 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.250 9.301 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -17.032 11.201 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.896 10.165 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -17.644 10.046 1.435 1.00 0.00 H new ATOM 1098 N GLU A 74 -18.717 10.382 4.450 1.00 0.00 N ATOM 1099 CA GLU A 74 -20.040 10.576 5.029 1.00 0.00 C ATOM 1100 C GLU A 74 -20.991 10.913 3.905 1.00 0.00 C ATOM 1101 O GLU A 74 -21.051 12.015 3.398 1.00 0.00 O ATOM 1102 CB GLU A 74 -19.983 11.699 6.030 1.00 0.00 C ATOM 1103 CG GLU A 74 -21.396 12.096 6.380 1.00 0.00 C ATOM 1104 CD GLU A 74 -21.455 12.607 7.820 1.00 0.00 C ATOM 1105 OE1 GLU A 74 -20.561 13.343 8.204 1.00 0.00 O ATOM 1106 OE2 GLU A 74 -22.394 12.254 8.515 1.00 0.00 O ATOM 0 H GLU A 74 -18.094 11.186 4.525 1.00 0.00 H new ATOM 0 HA GLU A 74 -20.380 9.676 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -19.445 11.383 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.442 12.549 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.745 12.870 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.062 11.242 6.261 1.00 0.00 H new ATOM 1113 N GLY A 75 -21.711 9.938 3.528 1.00 0.00 N ATOM 1114 CA GLY A 75 -22.694 10.080 2.423 1.00 0.00 C ATOM 1115 C GLY A 75 -22.523 8.947 1.427 1.00 0.00 C ATOM 1116 O GLY A 75 -23.137 8.936 0.379 1.00 0.00 O ATOM 0 H GLY A 75 -21.673 9.007 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -23.708 10.073 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.556 11.039 1.923 1.00 0.00 H new ATOM 1120 N PHE A 76 -21.671 8.013 1.714 1.00 0.00 N ATOM 1121 CA PHE A 76 -21.448 6.923 0.747 1.00 0.00 C ATOM 1122 C PHE A 76 -21.466 5.566 1.452 1.00 0.00 C ATOM 1123 O PHE A 76 -21.194 5.465 2.632 1.00 0.00 O ATOM 1124 CB PHE A 76 -20.120 7.190 0.095 1.00 0.00 C ATOM 1125 CG PHE A 76 -20.239 8.518 -0.609 1.00 0.00 C ATOM 1126 CD1 PHE A 76 -20.213 9.719 0.116 1.00 0.00 C ATOM 1127 CD2 PHE A 76 -20.355 8.542 -1.991 1.00 0.00 C ATOM 1128 CE1 PHE A 76 -20.292 10.942 -0.565 1.00 0.00 C ATOM 1129 CE2 PHE A 76 -20.440 9.752 -2.673 1.00 0.00 C ATOM 1130 CZ PHE A 76 -20.401 10.958 -1.963 1.00 0.00 C ATOM 0 H PHE A 76 -21.123 7.960 2.573 1.00 0.00 H new ATOM 0 HA PHE A 76 -22.238 6.890 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -19.323 7.217 0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.870 6.399 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -20.133 9.701 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -20.380 7.614 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.269 11.870 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -20.536 9.761 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 76 -20.455 11.899 -2.491 1.00 0.00 H new ATOM 1140 N GLU A 77 -21.798 4.521 0.741 1.00 0.00 N ATOM 1141 CA GLU A 77 -21.849 3.173 1.382 1.00 0.00 C ATOM 1142 C GLU A 77 -21.662 2.079 0.328 1.00 0.00 C ATOM 1143 O GLU A 77 -21.714 2.327 -0.860 1.00 0.00 O ATOM 1144 CB GLU A 77 -23.206 2.983 2.061 1.00 0.00 C ATOM 1145 CG GLU A 77 -22.996 2.668 3.543 1.00 0.00 C ATOM 1146 CD GLU A 77 -23.681 1.344 3.886 1.00 0.00 C ATOM 1147 OE1 GLU A 77 -23.613 0.437 3.073 1.00 0.00 O ATOM 1148 OE2 GLU A 77 -24.263 1.261 4.955 1.00 0.00 O ATOM 0 H GLU A 77 -22.035 4.541 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 77 -21.049 3.103 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -23.808 3.885 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -23.755 2.173 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -21.931 2.607 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -23.404 3.471 4.158 1.00 0.00 H new ATOM 1155 N GLY A 78 -21.447 0.865 0.764 1.00 0.00 N ATOM 1156 CA GLY A 78 -21.257 -0.259 -0.198 1.00 0.00 C ATOM 1157 C GLY A 78 -19.848 -0.834 -0.038 1.00 0.00 C ATOM 1158 O GLY A 78 -19.024 -0.287 0.667 1.00 0.00 O ATOM 0 H GLY A 78 -21.395 0.604 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.001 -1.035 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.404 0.093 -1.219 1.00 0.00 H new ATOM 1162 N LYS A 79 -19.560 -1.929 -0.689 1.00 0.00 N ATOM 1163 CA LYS A 79 -18.202 -2.522 -0.571 1.00 0.00 C ATOM 1164 C LYS A 79 -17.174 -1.439 -0.844 1.00 0.00 C ATOM 1165 O LYS A 79 -16.315 -1.147 -0.036 1.00 0.00 O ATOM 1166 CB LYS A 79 -18.055 -3.650 -1.587 1.00 0.00 C ATOM 1167 CG LYS A 79 -17.080 -4.702 -1.053 1.00 0.00 C ATOM 1168 CD LYS A 79 -15.678 -4.099 -0.935 1.00 0.00 C ATOM 1169 CE LYS A 79 -14.755 -5.092 -0.226 1.00 0.00 C ATOM 1170 NZ LYS A 79 -13.397 -5.036 -0.840 1.00 0.00 N ATOM 0 H LYS A 79 -20.206 -2.435 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 79 -18.051 -2.925 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -19.026 -4.106 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -17.693 -3.253 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -17.415 -5.060 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -17.060 -5.564 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.286 -3.865 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.719 -3.163 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.695 -4.855 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.160 -6.101 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.770 -5.711 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.461 -5.283 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.011 -4.075 -0.743 1.00 0.00 H new ATOM 1184 N ASN A 80 -17.282 -0.834 -1.975 1.00 0.00 N ATOM 1185 CA ASN A 80 -16.347 0.260 -2.343 1.00 0.00 C ATOM 1186 C ASN A 80 -17.109 1.583 -2.290 1.00 0.00 C ATOM 1187 O ASN A 80 -16.789 2.526 -2.981 1.00 0.00 O ATOM 1188 CB ASN A 80 -15.821 0.028 -3.763 1.00 0.00 C ATOM 1189 CG ASN A 80 -15.703 -1.475 -4.026 1.00 0.00 C ATOM 1190 OD1 ASN A 80 -15.190 -2.208 -3.204 1.00 0.00 O ATOM 1191 ND2 ASN A 80 -16.159 -1.968 -5.145 1.00 0.00 N ATOM 0 H ASN A 80 -17.989 -1.049 -2.679 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.505 0.284 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.494 0.483 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.849 0.506 -3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.085 -2.968 -5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.590 -1.353 -5.835 1.00 0.00 H new ATOM 1198 N CYS A 81 -18.133 1.655 -1.484 1.00 0.00 N ATOM 1199 CA CYS A 81 -18.923 2.911 -1.410 1.00 0.00 C ATOM 1200 C CYS A 81 -19.575 3.152 -2.774 1.00 0.00 C ATOM 1201 O CYS A 81 -20.052 4.228 -3.069 1.00 0.00 O ATOM 1202 CB CYS A 81 -17.993 4.074 -1.063 1.00 0.00 C ATOM 1203 SG CYS A 81 -16.803 3.536 0.189 1.00 0.00 S ATOM 0 H CYS A 81 -18.454 0.901 -0.877 1.00 0.00 H new ATOM 0 HA CYS A 81 -19.692 2.833 -0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.469 4.415 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -18.572 4.919 -0.691 1.00 0.00 H new ATOM 1208 N GLU A 82 -19.587 2.140 -3.604 1.00 0.00 N ATOM 1209 CA GLU A 82 -20.179 2.247 -4.959 1.00 0.00 C ATOM 1210 C GLU A 82 -21.450 3.101 -4.956 1.00 0.00 C ATOM 1211 O GLU A 82 -21.818 3.674 -5.962 1.00 0.00 O ATOM 1212 CB GLU A 82 -20.517 0.838 -5.432 1.00 0.00 C ATOM 1213 CG GLU A 82 -21.132 0.924 -6.813 1.00 0.00 C ATOM 1214 CD GLU A 82 -21.806 -0.404 -7.161 1.00 0.00 C ATOM 1215 OE1 GLU A 82 -21.252 -1.435 -6.817 1.00 0.00 O ATOM 1216 OE2 GLU A 82 -22.866 -0.367 -7.765 1.00 0.00 O ATOM 0 H GLU A 82 -19.199 1.222 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 82 -19.462 2.729 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.618 0.222 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.211 0.363 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -21.862 1.733 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -20.363 1.157 -7.550 1.00 0.00 H new ATOM 1223 N PHE A 83 -22.129 3.191 -3.852 1.00 0.00 N ATOM 1224 CA PHE A 83 -23.360 3.997 -3.807 1.00 0.00 C ATOM 1225 C PHE A 83 -23.050 5.366 -3.241 1.00 0.00 C ATOM 1226 O PHE A 83 -21.925 5.821 -3.197 1.00 0.00 O ATOM 1227 CB PHE A 83 -24.395 3.311 -2.911 1.00 0.00 C ATOM 1228 CG PHE A 83 -24.254 1.819 -2.999 1.00 0.00 C ATOM 1229 CD1 PHE A 83 -23.977 1.210 -4.225 1.00 0.00 C ATOM 1230 CD2 PHE A 83 -24.422 1.043 -1.851 1.00 0.00 C ATOM 1231 CE1 PHE A 83 -23.863 -0.179 -4.301 1.00 0.00 C ATOM 1232 CE2 PHE A 83 -24.311 -0.345 -1.925 1.00 0.00 C ATOM 1233 CZ PHE A 83 -24.031 -0.960 -3.150 1.00 0.00 C ATOM 0 H PHE A 83 -21.877 2.735 -2.975 1.00 0.00 H new ATOM 0 HA PHE A 83 -23.757 4.096 -4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -24.264 3.635 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -25.400 3.606 -3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -23.851 1.813 -5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -24.638 1.518 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -23.645 -0.652 -5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -24.441 -0.945 -1.037 1.00 0.00 H new ATOM 0 HZ PHE A 83 -23.944 -2.035 -3.208 1.00 0.00 H new ATOM 1243 N SER A 84 -24.072 6.002 -2.814 1.00 0.00 N ATOM 1244 CA SER A 84 -23.951 7.365 -2.224 1.00 0.00 C ATOM 1245 C SER A 84 -25.207 7.669 -1.404 1.00 0.00 C ATOM 1246 O SER A 84 -26.199 8.140 -1.923 1.00 0.00 O ATOM 1247 CB SER A 84 -23.814 8.397 -3.343 1.00 0.00 C ATOM 1248 OG SER A 84 -22.544 8.250 -3.964 1.00 0.00 O ATOM 0 H SER A 84 -25.024 5.637 -2.843 1.00 0.00 H new ATOM 0 HA SER A 84 -23.071 7.409 -1.582 1.00 0.00 H new ATOM 0 HB2 SER A 84 -24.608 8.262 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 84 -23.920 9.404 -2.940 1.00 0.00 H new ATOM 0 HG SER A 84 -22.006 7.605 -3.459 1.00 0.00 H new ATOM 1254 N THR A 85 -25.177 7.395 -0.129 1.00 0.00 N ATOM 1255 CA THR A 85 -26.375 7.660 0.717 1.00 0.00 C ATOM 1256 C THR A 85 -26.842 9.094 0.518 1.00 0.00 C ATOM 1257 O THR A 85 -27.961 9.355 0.121 1.00 0.00 O ATOM 1258 CB THR A 85 -26.026 7.421 2.191 1.00 0.00 C ATOM 1259 OG1 THR A 85 -24.982 8.301 2.583 1.00 0.00 O ATOM 1260 CG2 THR A 85 -25.568 5.974 2.378 1.00 0.00 C ATOM 0 H THR A 85 -24.376 7.000 0.363 1.00 0.00 H new ATOM 0 HA THR A 85 -27.179 6.984 0.425 1.00 0.00 H new ATOM 0 HB THR A 85 -26.907 7.608 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 85 -25.234 8.759 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 85 -25.320 5.803 3.426 1.00 0.00 H new ATOM 0 HG22 THR A 85 -26.369 5.297 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 85 -24.688 5.788 1.762 1.00 0.00 H new ATOM 1268 N ARG A 86 -25.988 10.014 0.792 1.00 0.00 N ATOM 1269 CA ARG A 86 -26.341 11.450 0.632 1.00 0.00 C ATOM 1270 C ARG A 86 -25.121 12.314 0.959 1.00 0.00 C ATOM 1271 O ARG A 86 -24.020 11.893 0.644 1.00 0.00 O ATOM 1272 CB ARG A 86 -27.489 11.811 1.579 1.00 0.00 C ATOM 1273 CG ARG A 86 -27.382 11.005 2.878 1.00 0.00 C ATOM 1274 CD ARG A 86 -26.332 11.644 3.789 1.00 0.00 C ATOM 1275 NE ARG A 86 -26.634 11.304 5.208 1.00 0.00 N ATOM 1276 CZ ARG A 86 -25.728 11.480 6.133 1.00 0.00 C ATOM 1277 NH1 ARG A 86 -24.548 11.942 5.817 1.00 0.00 N ATOM 1278 NH2 ARG A 86 -26.003 11.192 7.376 1.00 0.00 N ATOM 1279 OXT ARG A 86 -25.308 13.382 1.519 1.00 0.00 O ATOM 0 H ARG A 86 -25.040 9.840 1.127 1.00 0.00 H new ATOM 0 HA ARG A 86 -26.653 11.631 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -27.463 12.878 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -28.445 11.609 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -28.348 10.977 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -27.108 9.973 2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -25.337 11.287 3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -26.329 12.726 3.656 1.00 0.00 H new ATOM 0 HE ARG A 86 -27.551 10.933 5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -24.332 12.167 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.843 12.078 6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -26.924 10.830 7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -25.297 11.329 8.099 1.00 0.00 H new TER 1293 ARG A 86