USER MOD reduce.3.24.130724 H: found=0, std=0, add=1426, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1422 hydrogens (0 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 85 HIS HE2 : A 85 HIS NE2 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 85 HIS HE2 : B 85 HIS NE2 : A 94 ZNZN :(H bumps) USER MOD Set 1.1: A 74 MET CE :methyl 169:sc= -0.755 (180deg=-0.914) USER MOD Set 1.2: B 74 MET CE :methyl 173:sc= -0.781 (180deg=-0.975) USER MOD Set 2.1: B 57 MET CE :methyl 169:sc= -0.227 (180deg=-0.243) USER MOD Set 2.2: B 68 CYS SG : rot -46:sc= -4.26! USER MOD Set 3.1: B 15 HIS : no HE2:sc= -6.25! K(o=-11!,f=-13) USER MOD Set 3.2: B 24 LYS NZ :NH3+ -124:sc= -0.364 (180deg=-0.0856) USER MOD Set 3.3: B 25 HIS : no HD1:sc= -4.3! X(o=-11!,f=-11) USER MOD Set 4.1: B 17 TYR OH : rot 34:sc= 0.509 USER MOD Set 4.2: B 38 ASN :FLIP amide:sc= -1.91 F(o=-5.4,f=-1.4) USER MOD Set 5.1: B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: B 1 SER OG : rot 161:sc= 0.0554 USER MOD Set 6.1: A 57 MET CE :methyl 167:sc= -0.295 (180deg=-0.243) USER MOD Set 6.2: A 68 CYS SG : rot -51:sc= -4.2! USER MOD Set 7.1: A 17 TYR OH : rot 55:sc= 0.825 USER MOD Set 7.2: A 38 ASN :FLIP amide:sc= -1.9 F(o=-5.3!,f=-1.1) USER MOD Set 8.1: A 15 HIS : no HE2:sc= -6.32! K(o=-7.2!,f=-11) USER MOD Set 8.2: A 24 LYS NZ :NH3+ -125:sc= -0.849! (180deg=-0.106) USER MOD Set 9.1: A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 9.2: A 1 SER OG : rot 158:sc= 0.0627 USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 159:sc= -0.0691 (180deg=-1.42) USER MOD Single : A 16 GLN : amide:sc= -0.0821 X(o=-0.082,f=-0.55) USER MOD Single : A 18 SER OG : rot 90:sc= 1.11 USER MOD Single : A 25 HIS : no HD1:sc= -3.99 X(o=-4,f=-3.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.321! (180deg=-0.682!) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.141 (180deg=-0.939) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.483 K(o=-0.48,f=-2) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 48 LYS NZ :NH3+ -104:sc= -3.41! (180deg=-6.27!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc=-0.000533 (180deg=-0.462) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -3.26! C(o=-3.3!,f=-7.5!) USER MOD Single : A 78 SER OG : rot -40:sc= -4.4! USER MOD Single : A 79 MET CE :methyl 178:sc= 0 (180deg=-0.00216) USER MOD Single : A 81 THR OG1 : rot 81:sc= 0.561 USER MOD Single : A 82 THR OG1 : rot 170:sc= -0.557 USER MOD Single : A 84 CYS SG : rot 86:sc= 0.121 USER MOD Single : A 90 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-4.7!) USER MOD Single : B 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl 162:sc= -0.118 (180deg=-1.15) USER MOD Single : B 16 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.55) USER MOD Single : B 18 SER OG : rot 87:sc= 1.15 USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -167:sc= -0.266 (180deg=-0.803!) USER MOD Single : B 29 LYS NZ :NH3+ -162:sc= -0.189 (180deg=-1.02) USER MOD Single : B 30 SER OG : rot 180:sc= 0.0112 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.466 K(o=-0.47,f=-2) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc=-0.00376 X(o=-0.0038,f=0) USER MOD Single : B 48 LYS NZ :NH3+ -107:sc= -2.93! (180deg=-5.49!) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 160:sc= -0.0391 (180deg=-0.493) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -3.59! C(o=-3.6!,f=-7.9!) USER MOD Single : B 78 SER OG : rot -38:sc= -4.41! USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot -19:sc= 0.449 USER MOD Single : B 82 THR OG1 : rot 164:sc= -0.535 USER MOD Single : B 84 CYS SG : rot 85:sc= 0.0449 USER MOD Single : B 90 HIS : no HE2:sc= -1.95! C(o=-2!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.009 1.043 16.996 1.00 0.00 N ATOM 2 CA MET A 0 -10.182 1.753 16.415 1.00 0.00 C ATOM 3 C MET A 0 -9.944 1.964 14.918 1.00 0.00 C ATOM 4 O MET A 0 -10.385 1.186 14.095 1.00 0.00 O ATOM 5 CB MET A 0 -10.352 3.107 17.110 1.00 0.00 C ATOM 6 CG MET A 0 -11.563 3.841 16.526 1.00 0.00 C ATOM 7 SD MET A 0 -11.878 5.336 17.495 1.00 0.00 S ATOM 8 CE MET A 0 -10.904 6.484 16.490 1.00 0.00 C ATOM 0 H1 MET A 0 -9.162 0.895 18.014 1.00 0.00 H new ATOM 0 H2 MET A 0 -8.893 0.123 16.526 1.00 0.00 H new ATOM 0 H3 MET A 0 -8.152 1.615 16.854 1.00 0.00 H new ATOM 0 HA MET A 0 -11.086 1.161 16.561 1.00 0.00 H new ATOM 0 HB2 MET A 0 -10.485 2.962 18.182 1.00 0.00 H new ATOM 0 HB3 MET A 0 -9.453 3.709 16.979 1.00 0.00 H new ATOM 0 HG2 MET A 0 -11.378 4.101 15.484 1.00 0.00 H new ATOM 0 HG3 MET A 0 -12.439 3.192 16.542 1.00 0.00 H new ATOM 0 HE1 MET A 0 -10.963 7.484 16.920 1.00 0.00 H new ATOM 0 HE2 MET A 0 -9.864 6.158 16.470 1.00 0.00 H new ATOM 0 HE3 MET A 0 -11.298 6.502 15.474 1.00 0.00 H new ATOM 20 N SER A 1 -9.242 3.004 14.560 1.00 0.00 N ATOM 21 CA SER A 1 -8.968 3.258 13.113 1.00 0.00 C ATOM 22 C SER A 1 -7.715 2.482 12.697 1.00 0.00 C ATOM 23 O SER A 1 -6.619 3.006 12.673 1.00 0.00 O ATOM 24 CB SER A 1 -8.764 4.755 12.887 1.00 0.00 C ATOM 25 OG SER A 1 -7.990 5.289 13.953 1.00 0.00 O ATOM 0 H SER A 1 -8.846 3.689 15.204 1.00 0.00 H new ATOM 0 HA SER A 1 -9.813 2.925 12.510 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.260 4.926 11.935 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.728 5.261 12.833 1.00 0.00 H new ATOM 0 HG SER A 1 -7.559 6.119 13.660 1.00 0.00 H new ATOM 31 N GLU A 2 -7.887 1.234 12.359 1.00 0.00 N ATOM 32 CA GLU A 2 -6.723 0.400 11.931 1.00 0.00 C ATOM 33 C GLU A 2 -6.020 1.104 10.774 1.00 0.00 C ATOM 34 O GLU A 2 -4.863 0.865 10.489 1.00 0.00 O ATOM 35 CB GLU A 2 -7.217 -0.972 11.476 1.00 0.00 C ATOM 36 CG GLU A 2 -7.626 -1.788 12.701 1.00 0.00 C ATOM 37 CD GLU A 2 -8.265 -3.103 12.257 1.00 0.00 C ATOM 38 OE1 GLU A 2 -9.322 -3.049 11.649 1.00 0.00 O ATOM 39 OE2 GLU A 2 -7.690 -4.142 12.536 1.00 0.00 O ATOM 0 H GLU A 2 -8.786 0.752 12.360 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.030 0.269 12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.064 -0.861 10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.433 -1.490 10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.754 -1.989 13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.328 -1.219 13.310 1.00 0.00 H new ATOM 46 N LEU A 3 -6.726 1.965 10.098 1.00 0.00 N ATOM 47 CA LEU A 3 -6.136 2.695 8.949 1.00 0.00 C ATOM 48 C LEU A 3 -5.193 3.808 9.452 1.00 0.00 C ATOM 49 O LEU A 3 -4.266 4.197 8.769 1.00 0.00 O ATOM 50 CB LEU A 3 -7.297 3.297 8.129 1.00 0.00 C ATOM 51 CG LEU A 3 -7.348 2.701 6.711 1.00 0.00 C ATOM 52 CD1 LEU A 3 -6.027 2.978 5.959 1.00 0.00 C ATOM 53 CD2 LEU A 3 -7.619 1.181 6.774 1.00 0.00 C ATOM 0 H LEU A 3 -7.699 2.195 10.297 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.548 2.019 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.242 3.108 8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.179 4.379 8.067 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.163 3.178 6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.081 2.549 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.869 4.054 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.197 2.526 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.652 0.775 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.823 0.692 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.574 1.002 7.268 1.00 0.00 H new ATOM 65 N GLU A 4 -5.413 4.323 10.633 1.00 0.00 N ATOM 66 CA GLU A 4 -4.513 5.398 11.151 1.00 0.00 C ATOM 67 C GLU A 4 -3.213 4.751 11.625 1.00 0.00 C ATOM 68 O GLU A 4 -2.191 5.392 11.733 1.00 0.00 O ATOM 69 CB GLU A 4 -5.196 6.129 12.316 1.00 0.00 C ATOM 70 CG GLU A 4 -4.219 7.130 12.944 1.00 0.00 C ATOM 71 CD GLU A 4 -4.972 8.061 13.898 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.182 7.934 13.990 1.00 0.00 O ATOM 73 OE2 GLU A 4 -4.323 8.892 14.516 1.00 0.00 O ATOM 0 H GLU A 4 -6.171 4.049 11.258 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.300 6.123 10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.085 6.649 11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.526 5.410 13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.436 6.598 13.484 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.729 7.713 12.164 1.00 0.00 H new ATOM 80 N LYS A 5 -3.253 3.479 11.902 1.00 0.00 N ATOM 81 CA LYS A 5 -2.029 2.770 12.366 1.00 0.00 C ATOM 82 C LYS A 5 -1.099 2.551 11.170 1.00 0.00 C ATOM 83 O LYS A 5 0.078 2.845 11.220 1.00 0.00 O ATOM 84 CB LYS A 5 -2.398 1.401 12.986 1.00 0.00 C ATOM 85 CG LYS A 5 -3.719 1.478 13.777 1.00 0.00 C ATOM 86 CD LYS A 5 -3.533 2.271 15.094 1.00 0.00 C ATOM 87 CE LYS A 5 -4.827 3.021 15.422 1.00 0.00 C ATOM 88 NZ LYS A 5 -4.654 3.803 16.682 1.00 0.00 N ATOM 0 H LYS A 5 -4.086 2.896 11.826 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.532 3.374 13.125 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.488 0.655 12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.596 1.071 13.646 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.485 1.955 13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.072 0.471 14.001 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.277 1.592 15.907 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.707 2.975 14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.088 3.689 14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.650 2.314 15.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.536 4.310 16.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.425 3.156 17.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.881 4.488 16.562 1.00 0.00 H new ATOM 102 N ALA A 6 -1.619 2.012 10.102 1.00 0.00 N ATOM 103 CA ALA A 6 -0.763 1.746 8.905 1.00 0.00 C ATOM 104 C ALA A 6 -0.218 3.047 8.324 1.00 0.00 C ATOM 105 O ALA A 6 0.975 3.205 8.144 1.00 0.00 O ATOM 106 CB ALA A 6 -1.581 1.034 7.825 1.00 0.00 C ATOM 0 H ALA A 6 -2.598 1.744 10.004 1.00 0.00 H new ATOM 0 HA ALA A 6 0.069 1.118 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.950 0.844 6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.954 0.088 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.422 1.663 7.532 1.00 0.00 H new ATOM 112 N MET A 7 -1.076 3.963 7.994 1.00 0.00 N ATOM 113 CA MET A 7 -0.594 5.231 7.384 1.00 0.00 C ATOM 114 C MET A 7 0.494 5.865 8.252 1.00 0.00 C ATOM 115 O MET A 7 1.427 6.450 7.748 1.00 0.00 O ATOM 116 CB MET A 7 -1.748 6.235 7.235 1.00 0.00 C ATOM 117 CG MET A 7 -2.788 5.741 6.207 1.00 0.00 C ATOM 118 SD MET A 7 -3.454 7.165 5.296 1.00 0.00 S ATOM 119 CE MET A 7 -5.215 6.875 5.596 1.00 0.00 C ATOM 0 H MET A 7 -2.086 3.892 8.118 1.00 0.00 H new ATOM 0 HA MET A 7 -0.188 4.991 6.401 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.230 6.385 8.201 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.354 7.202 6.922 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.327 5.036 5.516 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.594 5.210 6.714 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.766 7.804 5.452 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.584 6.122 4.899 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.357 6.524 6.618 1.00 0.00 H new ATOM 129 N VAL A 8 0.388 5.774 9.549 1.00 0.00 N ATOM 130 CA VAL A 8 1.433 6.404 10.413 1.00 0.00 C ATOM 131 C VAL A 8 2.687 5.531 10.419 1.00 0.00 C ATOM 132 O VAL A 8 3.801 6.019 10.363 1.00 0.00 O ATOM 133 CB VAL A 8 0.898 6.558 11.846 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.026 6.995 12.784 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.212 7.615 11.873 1.00 0.00 C ATOM 0 H VAL A 8 -0.365 5.298 10.045 1.00 0.00 H new ATOM 0 HA VAL A 8 1.683 7.389 10.018 1.00 0.00 H new ATOM 0 HB VAL A 8 0.502 5.598 12.177 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.637 7.101 13.797 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.817 6.245 12.776 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.429 7.950 12.448 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.589 7.721 12.890 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.187 8.570 11.532 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.025 7.306 11.216 1.00 0.00 H new ATOM 145 N ALA A 9 2.511 4.246 10.490 1.00 0.00 N ATOM 146 CA ALA A 9 3.681 3.327 10.506 1.00 0.00 C ATOM 147 C ALA A 9 4.462 3.443 9.192 1.00 0.00 C ATOM 148 O ALA A 9 5.669 3.303 9.166 1.00 0.00 O ATOM 149 CB ALA A 9 3.193 1.887 10.688 1.00 0.00 C ATOM 0 H ALA A 9 1.601 3.787 10.538 1.00 0.00 H new ATOM 0 HA ALA A 9 4.338 3.599 11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.049 1.212 10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.651 1.803 11.630 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.532 1.620 9.864 1.00 0.00 H new ATOM 155 N LEU A 10 3.791 3.683 8.098 1.00 0.00 N ATOM 156 CA LEU A 10 4.523 3.783 6.798 1.00 0.00 C ATOM 157 C LEU A 10 5.210 5.150 6.687 1.00 0.00 C ATOM 158 O LEU A 10 6.347 5.235 6.290 1.00 0.00 O ATOM 159 CB LEU A 10 3.532 3.576 5.629 1.00 0.00 C ATOM 160 CG LEU A 10 3.560 2.109 5.168 1.00 0.00 C ATOM 161 CD1 LEU A 10 3.053 1.202 6.291 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.670 1.946 3.935 1.00 0.00 C ATOM 0 H LEU A 10 2.781 3.813 8.045 1.00 0.00 H new ATOM 0 HA LEU A 10 5.289 3.009 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.524 3.848 5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.794 4.232 4.799 1.00 0.00 H new ATOM 0 HG LEU A 10 4.583 1.829 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.075 0.164 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.691 1.316 7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.031 1.479 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.689 0.907 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.647 2.229 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.038 2.586 3.133 1.00 0.00 H new ATOM 174 N ILE A 11 4.536 6.211 7.018 1.00 0.00 N ATOM 175 CA ILE A 11 5.159 7.565 6.908 1.00 0.00 C ATOM 176 C ILE A 11 6.570 7.540 7.505 1.00 0.00 C ATOM 177 O ILE A 11 7.476 8.165 6.994 1.00 0.00 O ATOM 178 CB ILE A 11 4.301 8.592 7.677 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.979 8.857 6.922 1.00 0.00 C ATOM 180 CG2 ILE A 11 5.087 9.905 7.860 1.00 0.00 C ATOM 181 CD1 ILE A 11 3.155 9.937 5.849 1.00 0.00 C ATOM 0 H ILE A 11 3.576 6.204 7.362 1.00 0.00 H new ATOM 0 HA ILE A 11 5.216 7.846 5.856 1.00 0.00 H new ATOM 0 HB ILE A 11 4.063 8.186 8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.632 7.934 6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.210 9.167 7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.474 10.624 8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.999 9.708 8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.345 10.314 6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.207 10.099 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.478 10.867 6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.906 9.615 5.128 1.00 0.00 H new ATOM 193 N ASP A 12 6.764 6.832 8.582 1.00 0.00 N ATOM 194 CA ASP A 12 8.123 6.791 9.201 1.00 0.00 C ATOM 195 C ASP A 12 9.071 5.941 8.348 1.00 0.00 C ATOM 196 O ASP A 12 10.144 6.380 7.985 1.00 0.00 O ATOM 197 CB ASP A 12 8.018 6.207 10.611 1.00 0.00 C ATOM 198 CG ASP A 12 7.086 7.088 11.448 1.00 0.00 C ATOM 199 OD1 ASP A 12 5.944 7.253 11.048 1.00 0.00 O ATOM 200 OD2 ASP A 12 7.532 7.586 12.469 1.00 0.00 O ATOM 0 H ASP A 12 6.049 6.283 9.059 1.00 0.00 H new ATOM 0 HA ASP A 12 8.524 7.803 9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.635 5.188 10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.004 6.158 11.072 1.00 0.00 H new ATOM 205 N VAL A 13 8.690 4.739 8.011 1.00 0.00 N ATOM 206 CA VAL A 13 9.584 3.889 7.168 1.00 0.00 C ATOM 207 C VAL A 13 9.592 4.445 5.743 1.00 0.00 C ATOM 208 O VAL A 13 10.541 4.277 5.001 1.00 0.00 O ATOM 209 CB VAL A 13 9.093 2.432 7.173 1.00 0.00 C ATOM 210 CG1 VAL A 13 10.184 1.515 6.618 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.777 2.018 8.612 1.00 0.00 C ATOM 0 H VAL A 13 7.805 4.309 8.280 1.00 0.00 H new ATOM 0 HA VAL A 13 10.596 3.906 7.572 1.00 0.00 H new ATOM 0 HB VAL A 13 8.201 2.348 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.830 0.484 6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.423 1.811 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.077 1.596 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.428 0.986 8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.677 2.105 9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.001 2.669 9.016 1.00 0.00 H new ATOM 221 N PHE A 14 8.540 5.111 5.361 1.00 0.00 N ATOM 222 CA PHE A 14 8.483 5.683 3.986 1.00 0.00 C ATOM 223 C PHE A 14 9.430 6.890 3.884 1.00 0.00 C ATOM 224 O PHE A 14 10.206 7.004 2.957 1.00 0.00 O ATOM 225 CB PHE A 14 7.042 6.116 3.679 1.00 0.00 C ATOM 226 CG PHE A 14 7.002 6.944 2.413 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.420 6.382 1.206 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.539 8.270 2.447 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.379 7.139 0.034 1.00 0.00 C ATOM 230 CE2 PHE A 14 6.501 9.026 1.272 1.00 0.00 C ATOM 231 CZ PHE A 14 6.921 8.458 0.067 1.00 0.00 C ATOM 0 H PHE A 14 7.718 5.285 5.939 1.00 0.00 H new ATOM 0 HA PHE A 14 8.796 4.930 3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.407 5.237 3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.643 6.694 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.775 5.362 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.213 8.705 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.702 6.704 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.148 10.046 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.891 9.041 -0.842 1.00 0.00 H new ATOM 241 N HIS A 15 9.359 7.802 4.820 1.00 0.00 N ATOM 242 CA HIS A 15 10.238 9.007 4.757 1.00 0.00 C ATOM 243 C HIS A 15 11.661 8.667 5.228 1.00 0.00 C ATOM 244 O HIS A 15 12.622 9.261 4.782 1.00 0.00 O ATOM 245 CB HIS A 15 9.644 10.113 5.646 1.00 0.00 C ATOM 246 CG HIS A 15 10.143 11.464 5.198 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.539 12.439 6.099 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.322 12.018 3.951 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.935 13.512 5.389 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.822 13.307 4.077 1.00 0.00 N ATOM 0 H HIS A 15 8.732 7.764 5.623 1.00 0.00 H new ATOM 0 HA HIS A 15 10.293 9.352 3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.555 10.084 5.597 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.920 9.942 6.686 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.532 12.358 7.116 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.106 11.524 3.015 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.300 14.428 5.829 1.00 0.00 H new ATOM 258 N GLN A 16 11.807 7.732 6.124 1.00 0.00 N ATOM 259 CA GLN A 16 13.175 7.384 6.616 1.00 0.00 C ATOM 260 C GLN A 16 13.996 6.735 5.499 1.00 0.00 C ATOM 261 O GLN A 16 15.169 7.013 5.337 1.00 0.00 O ATOM 262 CB GLN A 16 13.057 6.422 7.799 1.00 0.00 C ATOM 263 CG GLN A 16 12.560 7.184 9.035 1.00 0.00 C ATOM 264 CD GLN A 16 13.724 7.952 9.669 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.793 7.410 9.860 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.562 9.201 10.007 1.00 0.00 N ATOM 0 H GLN A 16 11.045 7.194 6.537 1.00 0.00 H new ATOM 0 HA GLN A 16 13.682 8.296 6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.367 5.614 7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.024 5.964 8.006 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.766 7.875 8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.135 6.487 9.757 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.665 9.660 9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.332 9.719 10.430 1.00 0.00 H new ATOM 275 N TYR A 17 13.395 5.880 4.718 1.00 0.00 N ATOM 276 CA TYR A 17 14.157 5.236 3.612 1.00 0.00 C ATOM 277 C TYR A 17 14.263 6.215 2.447 1.00 0.00 C ATOM 278 O TYR A 17 15.345 6.507 1.973 1.00 0.00 O ATOM 279 CB TYR A 17 13.444 3.945 3.171 1.00 0.00 C ATOM 280 CG TYR A 17 13.913 2.798 4.035 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.350 2.603 5.301 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.926 1.949 3.578 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.799 1.555 6.108 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.375 0.903 4.388 1.00 0.00 C ATOM 285 CZ TYR A 17 14.812 0.707 5.653 1.00 0.00 C ATOM 286 OH TYR A 17 15.255 -0.324 6.452 1.00 0.00 O ATOM 0 H TYR A 17 12.417 5.601 4.797 1.00 0.00 H new ATOM 0 HA TYR A 17 15.159 4.975 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.364 4.064 3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.658 3.737 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.570 3.261 5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.360 2.102 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.363 1.400 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.157 0.246 4.037 1.00 0.00 H new ATOM 0 HH TYR A 17 14.496 -0.887 6.711 1.00 0.00 H new ATOM 296 N SER A 18 13.168 6.751 1.991 1.00 0.00 N ATOM 297 CA SER A 18 13.261 7.724 0.877 1.00 0.00 C ATOM 298 C SER A 18 14.205 8.838 1.314 1.00 0.00 C ATOM 299 O SER A 18 14.862 9.463 0.514 1.00 0.00 O ATOM 300 CB SER A 18 11.889 8.319 0.578 1.00 0.00 C ATOM 301 OG SER A 18 10.960 7.276 0.331 1.00 0.00 O ATOM 0 H SER A 18 12.227 6.560 2.336 1.00 0.00 H new ATOM 0 HA SER A 18 13.627 7.228 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.554 8.926 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.949 8.979 -0.288 1.00 0.00 H new ATOM 0 HG SER A 18 10.545 7.001 1.175 1.00 0.00 H new ATOM 307 N GLY A 19 14.278 9.081 2.597 1.00 0.00 N ATOM 308 CA GLY A 19 15.183 10.146 3.112 1.00 0.00 C ATOM 309 C GLY A 19 16.568 9.555 3.375 1.00 0.00 C ATOM 310 O GLY A 19 17.465 10.240 3.822 1.00 0.00 O ATOM 0 H GLY A 19 13.746 8.584 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.254 10.959 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.777 10.571 4.030 1.00 0.00 H new ATOM 314 N ARG A 20 16.760 8.291 3.089 1.00 0.00 N ATOM 315 CA ARG A 20 18.099 7.678 3.312 1.00 0.00 C ATOM 316 C ARG A 20 19.094 8.314 2.343 1.00 0.00 C ATOM 317 O ARG A 20 20.156 8.756 2.730 1.00 0.00 O ATOM 318 CB ARG A 20 18.026 6.166 3.063 1.00 0.00 C ATOM 319 CG ARG A 20 19.392 5.518 3.314 1.00 0.00 C ATOM 320 CD ARG A 20 19.333 4.031 2.942 1.00 0.00 C ATOM 321 NE ARG A 20 20.504 3.332 3.540 1.00 0.00 N ATOM 322 CZ ARG A 20 20.855 2.153 3.108 1.00 0.00 C ATOM 323 NH1 ARG A 20 20.180 1.582 2.149 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.883 1.546 3.637 1.00 0.00 N ATOM 0 H ARG A 20 16.050 7.663 2.713 1.00 0.00 H new ATOM 0 HA ARG A 20 18.420 7.849 4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.278 5.719 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.708 5.974 2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.158 6.021 2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.672 5.630 4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.405 3.589 3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.338 3.914 1.858 1.00 0.00 H new ATOM 0 HE ARG A 20 21.033 3.777 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.377 2.058 1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.455 0.660 1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.410 1.994 4.387 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.159 0.624 3.301 1.00 0.00 H new ATOM 338 N GLU A 21 18.755 8.363 1.086 1.00 0.00 N ATOM 339 CA GLU A 21 19.691 8.975 0.094 1.00 0.00 C ATOM 340 C GLU A 21 18.953 9.378 -1.184 1.00 0.00 C ATOM 341 O GLU A 21 17.940 8.807 -1.541 1.00 0.00 O ATOM 342 CB GLU A 21 20.782 7.964 -0.265 1.00 0.00 C ATOM 343 CG GLU A 21 20.146 6.767 -0.977 1.00 0.00 C ATOM 344 CD GLU A 21 21.143 5.605 -1.033 1.00 0.00 C ATOM 345 OE1 GLU A 21 22.209 5.734 -0.453 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.820 4.603 -1.653 1.00 0.00 O ATOM 0 H GLU A 21 17.879 8.010 0.701 1.00 0.00 H new ATOM 0 HA GLU A 21 20.128 9.867 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.529 8.430 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.299 7.634 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.243 6.458 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.846 7.050 -1.986 1.00 0.00 H new ATOM 353 N GLY A 22 19.478 10.351 -1.887 1.00 0.00 N ATOM 354 CA GLY A 22 18.846 10.796 -3.163 1.00 0.00 C ATOM 355 C GLY A 22 17.456 11.369 -2.903 1.00 0.00 C ATOM 356 O GLY A 22 17.248 12.137 -1.983 1.00 0.00 O ATOM 0 H GLY A 22 20.324 10.859 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.472 11.549 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.775 9.955 -3.853 1.00 0.00 H new ATOM 360 N ASP A 23 16.508 11.001 -3.726 1.00 0.00 N ATOM 361 CA ASP A 23 15.109 11.504 -3.577 1.00 0.00 C ATOM 362 C ASP A 23 14.719 11.548 -2.099 1.00 0.00 C ATOM 363 O ASP A 23 15.293 10.865 -1.280 1.00 0.00 O ATOM 364 CB ASP A 23 14.168 10.559 -4.323 1.00 0.00 C ATOM 365 CG ASP A 23 14.266 10.822 -5.826 1.00 0.00 C ATOM 366 OD1 ASP A 23 13.755 11.841 -6.264 1.00 0.00 O ATOM 367 OD2 ASP A 23 14.856 10.002 -6.512 1.00 0.00 O ATOM 0 H ASP A 23 16.647 10.362 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 23 15.038 12.511 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.429 9.523 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.143 10.707 -3.983 1.00 0.00 H new ATOM 372 N LYS A 24 13.746 12.354 -1.757 1.00 0.00 N ATOM 373 CA LYS A 24 13.308 12.460 -0.329 1.00 0.00 C ATOM 374 C LYS A 24 12.039 11.624 -0.096 1.00 0.00 C ATOM 375 O LYS A 24 11.762 11.214 1.015 1.00 0.00 O ATOM 376 CB LYS A 24 13.017 13.939 -0.001 1.00 0.00 C ATOM 377 CG LYS A 24 13.390 14.240 1.456 1.00 0.00 C ATOM 378 CD LYS A 24 12.730 15.549 1.899 1.00 0.00 C ATOM 379 CE LYS A 24 13.375 16.035 3.198 1.00 0.00 C ATOM 380 NZ LYS A 24 13.090 15.065 4.291 1.00 0.00 N ATOM 0 H LYS A 24 13.232 12.947 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 24 14.100 12.082 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.584 14.586 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.962 14.155 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.067 13.422 2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.473 14.316 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.840 16.305 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.661 15.397 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.452 16.141 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.988 17.019 3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.643 15.562 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.449 14.325 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.979 14.630 4.609 1.00 0.00 H new ATOM 394 N HIS A 25 11.256 11.385 -1.125 1.00 0.00 N ATOM 395 CA HIS A 25 9.992 10.594 -0.948 1.00 0.00 C ATOM 396 C HIS A 25 9.866 9.520 -2.037 1.00 0.00 C ATOM 397 O HIS A 25 8.778 9.165 -2.448 1.00 0.00 O ATOM 398 CB HIS A 25 8.792 11.539 -1.016 1.00 0.00 C ATOM 399 CG HIS A 25 9.109 12.815 -0.286 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.155 12.884 1.102 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.389 14.082 -0.734 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.453 14.155 1.431 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.605 14.920 0.351 1.00 0.00 N ATOM 0 H HIS A 25 11.437 11.703 -2.077 1.00 0.00 H new ATOM 0 HA HIS A 25 10.020 10.099 0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.546 11.755 -2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.917 11.063 -0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.434 14.381 -1.771 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.556 14.511 2.446 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.833 15.914 0.327 1.00 0.00 H new ATOM 411 N LYS A 26 10.965 8.977 -2.479 1.00 0.00 N ATOM 412 CA LYS A 26 10.926 7.897 -3.510 1.00 0.00 C ATOM 413 C LYS A 26 11.894 6.815 -3.059 1.00 0.00 C ATOM 414 O LYS A 26 12.899 7.107 -2.439 1.00 0.00 O ATOM 415 CB LYS A 26 11.369 8.454 -4.868 1.00 0.00 C ATOM 416 CG LYS A 26 11.063 7.430 -6.001 1.00 0.00 C ATOM 417 CD LYS A 26 10.045 8.023 -6.988 1.00 0.00 C ATOM 418 CE LYS A 26 10.654 9.231 -7.728 1.00 0.00 C ATOM 419 NZ LYS A 26 9.732 10.392 -7.604 1.00 0.00 N ATOM 0 H LYS A 26 11.901 9.237 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 26 9.917 7.500 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.853 9.393 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.436 8.675 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.982 7.172 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.671 6.508 -5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.742 7.263 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.147 8.331 -6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.629 9.478 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.813 8.987 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.136 11.211 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.812 10.151 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.602 10.626 -6.599 1.00 0.00 H new ATOM 433 N LEU A 27 11.609 5.574 -3.346 1.00 0.00 N ATOM 434 CA LEU A 27 12.534 4.479 -2.902 1.00 0.00 C ATOM 435 C LEU A 27 13.435 4.023 -4.051 1.00 0.00 C ATOM 436 O LEU A 27 13.018 3.796 -5.170 1.00 0.00 O ATOM 437 CB LEU A 27 11.741 3.270 -2.368 1.00 0.00 C ATOM 438 CG LEU A 27 11.327 3.502 -0.897 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.102 4.420 -0.832 1.00 0.00 C ATOM 440 CD2 LEU A 27 11.003 2.162 -0.239 1.00 0.00 C ATOM 0 H LEU A 27 10.785 5.267 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 27 13.154 4.882 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.854 3.110 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.348 2.368 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 27 12.152 3.977 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.819 4.576 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.341 5.379 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.273 3.958 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.711 2.327 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.184 1.682 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.883 1.519 -0.271 1.00 0.00 H new ATOM 452 N LYS A 28 14.675 3.855 -3.717 1.00 0.00 N ATOM 453 CA LYS A 28 15.693 3.371 -4.687 1.00 0.00 C ATOM 454 C LYS A 28 16.027 1.926 -4.336 1.00 0.00 C ATOM 455 O LYS A 28 15.819 1.501 -3.218 1.00 0.00 O ATOM 456 CB LYS A 28 16.946 4.235 -4.577 1.00 0.00 C ATOM 457 CG LYS A 28 16.537 5.714 -4.600 1.00 0.00 C ATOM 458 CD LYS A 28 17.749 6.591 -4.923 1.00 0.00 C ATOM 459 CE LYS A 28 17.293 8.024 -5.225 1.00 0.00 C ATOM 460 NZ LYS A 28 16.204 8.005 -6.243 1.00 0.00 N ATOM 0 H LYS A 28 15.040 4.038 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 28 15.313 3.431 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.481 4.007 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.625 4.019 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.756 5.872 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.120 5.999 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.443 6.591 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.286 6.183 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.941 8.503 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.134 8.613 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.131 8.941 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.419 7.291 -6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.302 7.770 -5.782 1.00 0.00 H new ATOM 474 N LYS A 29 16.529 1.164 -5.269 1.00 0.00 N ATOM 475 CA LYS A 29 16.868 -0.262 -4.967 1.00 0.00 C ATOM 476 C LYS A 29 17.572 -0.344 -3.603 1.00 0.00 C ATOM 477 O LYS A 29 17.191 -1.110 -2.739 1.00 0.00 O ATOM 478 CB LYS A 29 17.794 -0.806 -6.064 1.00 0.00 C ATOM 479 CG LYS A 29 17.016 -0.992 -7.383 1.00 0.00 C ATOM 480 CD LYS A 29 17.698 -2.063 -8.246 1.00 0.00 C ATOM 481 CE LYS A 29 19.113 -1.610 -8.614 1.00 0.00 C ATOM 482 NZ LYS A 29 19.072 -0.211 -9.127 1.00 0.00 N ATOM 0 H LYS A 29 16.720 1.463 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 29 15.956 -0.858 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.626 -0.119 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.221 -1.758 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.988 -1.284 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.973 -0.048 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.738 -3.008 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.116 -2.239 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.763 -1.669 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.533 -2.273 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.931 -0.019 -9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.235 -0.088 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.021 0.451 -8.326 1.00 0.00 H new ATOM 496 N SER A 30 18.588 0.454 -3.403 1.00 0.00 N ATOM 497 CA SER A 30 19.306 0.435 -2.094 1.00 0.00 C ATOM 498 C SER A 30 18.285 0.526 -0.950 1.00 0.00 C ATOM 499 O SER A 30 18.583 0.229 0.183 1.00 0.00 O ATOM 500 CB SER A 30 20.266 1.623 -2.018 1.00 0.00 C ATOM 501 OG SER A 30 20.963 1.750 -3.254 1.00 0.00 O ATOM 0 H SER A 30 18.951 1.117 -4.088 1.00 0.00 H new ATOM 0 HA SER A 30 19.872 -0.492 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.713 2.538 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.974 1.480 -1.202 1.00 0.00 H new ATOM 0 HG SER A 30 21.577 2.512 -3.206 1.00 0.00 H new ATOM 507 N GLU A 31 17.078 0.920 -1.252 1.00 0.00 N ATOM 508 CA GLU A 31 16.023 1.015 -0.196 1.00 0.00 C ATOM 509 C GLU A 31 15.138 -0.215 -0.268 1.00 0.00 C ATOM 510 O GLU A 31 14.704 -0.719 0.735 1.00 0.00 O ATOM 511 CB GLU A 31 15.181 2.270 -0.423 1.00 0.00 C ATOM 512 CG GLU A 31 16.113 3.478 -0.555 1.00 0.00 C ATOM 513 CD GLU A 31 15.303 4.774 -0.520 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.270 4.786 0.126 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.734 5.737 -1.132 1.00 0.00 O ATOM 0 H GLU A 31 16.773 1.182 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 31 16.490 1.073 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.577 2.160 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.491 2.416 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.843 3.474 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.672 3.415 -1.488 1.00 0.00 H new ATOM 522 N LEU A 32 14.870 -0.706 -1.443 1.00 0.00 N ATOM 523 CA LEU A 32 14.002 -1.910 -1.554 1.00 0.00 C ATOM 524 C LEU A 32 14.751 -3.128 -1.031 1.00 0.00 C ATOM 525 O LEU A 32 14.250 -3.861 -0.202 1.00 0.00 O ATOM 526 CB LEU A 32 13.592 -2.116 -3.032 1.00 0.00 C ATOM 527 CG LEU A 32 12.158 -2.662 -3.123 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.732 -2.784 -4.594 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.097 -4.039 -2.457 1.00 0.00 C ATOM 0 H LEU A 32 15.212 -0.329 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 32 13.101 -1.772 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.662 -1.171 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.282 -2.809 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 32 11.481 -1.976 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.715 -3.172 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.772 -1.803 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.407 -3.464 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.081 -4.429 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.779 -4.720 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.387 -3.950 -1.410 1.00 0.00 H new ATOM 541 N LYS A 33 15.937 -3.357 -1.494 1.00 0.00 N ATOM 542 CA LYS A 33 16.691 -4.536 -1.004 1.00 0.00 C ATOM 543 C LYS A 33 17.116 -4.308 0.458 1.00 0.00 C ATOM 544 O LYS A 33 17.153 -5.227 1.251 1.00 0.00 O ATOM 545 CB LYS A 33 17.911 -4.748 -1.912 1.00 0.00 C ATOM 546 CG LYS A 33 18.886 -5.775 -1.286 1.00 0.00 C ATOM 547 CD LYS A 33 20.017 -5.040 -0.531 1.00 0.00 C ATOM 548 CE LYS A 33 20.552 -5.920 0.595 1.00 0.00 C ATOM 549 NZ LYS A 33 21.872 -5.401 1.046 1.00 0.00 N ATOM 0 H LYS A 33 16.418 -2.784 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 33 16.067 -5.429 -1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.585 -5.098 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.424 -3.799 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.347 -6.430 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.310 -6.408 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.822 -4.789 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.643 -4.101 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.849 -5.930 1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.652 -6.949 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.237 -6.001 1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.540 -5.413 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.762 -4.426 1.391 1.00 0.00 H new ATOM 563 N GLU A 34 17.446 -3.095 0.817 1.00 0.00 N ATOM 564 CA GLU A 34 17.876 -2.836 2.234 1.00 0.00 C ATOM 565 C GLU A 34 16.655 -2.810 3.147 1.00 0.00 C ATOM 566 O GLU A 34 16.720 -3.191 4.300 1.00 0.00 O ATOM 567 CB GLU A 34 18.609 -1.497 2.347 1.00 0.00 C ATOM 568 CG GLU A 34 19.278 -1.389 3.725 1.00 0.00 C ATOM 569 CD GLU A 34 20.522 -2.279 3.757 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.320 -2.183 2.837 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.655 -3.042 4.700 1.00 0.00 O ATOM 0 H GLU A 34 17.439 -2.279 0.204 1.00 0.00 H new ATOM 0 HA GLU A 34 18.552 -3.636 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.359 -1.414 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.908 -0.674 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.553 -0.354 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.580 -1.693 4.505 1.00 0.00 H new ATOM 578 N LEU A 35 15.538 -2.386 2.643 1.00 0.00 N ATOM 579 CA LEU A 35 14.317 -2.359 3.488 1.00 0.00 C ATOM 580 C LEU A 35 13.877 -3.802 3.734 1.00 0.00 C ATOM 581 O LEU A 35 13.438 -4.168 4.807 1.00 0.00 O ATOM 582 CB LEU A 35 13.212 -1.601 2.740 1.00 0.00 C ATOM 583 CG LEU A 35 11.855 -1.781 3.433 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.948 -1.394 4.905 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.823 -0.889 2.750 1.00 0.00 C ATOM 0 H LEU A 35 15.415 -2.057 1.685 1.00 0.00 H new ATOM 0 HA LEU A 35 14.514 -1.862 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.462 -0.541 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.150 -1.961 1.713 1.00 0.00 H new ATOM 0 HG LEU A 35 11.560 -2.828 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.976 -1.529 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.684 -2.026 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.251 -0.350 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.856 -1.012 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.137 0.152 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.738 -1.169 1.700 1.00 0.00 H new ATOM 597 N ILE A 36 13.994 -4.614 2.728 1.00 0.00 N ATOM 598 CA ILE A 36 13.592 -6.039 2.837 1.00 0.00 C ATOM 599 C ILE A 36 14.461 -6.742 3.890 1.00 0.00 C ATOM 600 O ILE A 36 13.977 -7.510 4.697 1.00 0.00 O ATOM 601 CB ILE A 36 13.774 -6.705 1.455 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.627 -6.286 0.531 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.766 -8.233 1.576 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.946 -6.711 -0.902 1.00 0.00 C ATOM 0 H ILE A 36 14.359 -4.345 1.814 1.00 0.00 H new ATOM 0 HA ILE A 36 12.549 -6.116 3.145 1.00 0.00 H new ATOM 0 HB ILE A 36 14.733 -6.384 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.695 -6.746 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.484 -5.207 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.896 -8.677 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.581 -8.551 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.816 -8.560 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.130 -6.413 -1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.869 -6.230 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.067 -7.793 -0.942 1.00 0.00 H new ATOM 616 N ASN A 37 15.743 -6.504 3.864 1.00 0.00 N ATOM 617 CA ASN A 37 16.660 -7.174 4.835 1.00 0.00 C ATOM 618 C ASN A 37 16.661 -6.452 6.192 1.00 0.00 C ATOM 619 O ASN A 37 17.019 -7.026 7.201 1.00 0.00 O ATOM 620 CB ASN A 37 18.078 -7.190 4.254 1.00 0.00 C ATOM 621 CG ASN A 37 19.054 -7.787 5.275 1.00 0.00 C ATOM 622 OD1 ASN A 37 18.685 -8.636 6.063 1.00 0.00 O ATOM 623 ND2 ASN A 37 20.297 -7.381 5.287 1.00 0.00 N ATOM 0 H ASN A 37 16.200 -5.870 3.208 1.00 0.00 H new ATOM 0 HA ASN A 37 16.309 -8.193 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.097 -7.775 3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.385 -6.177 3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.956 -7.777 5.957 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.607 -6.669 4.626 1.00 0.00 H new ATOM 630 N ASN A 38 16.303 -5.194 6.233 1.00 0.00 N ATOM 631 CA ASN A 38 16.343 -4.465 7.542 1.00 0.00 C ATOM 632 C ASN A 38 15.050 -4.669 8.345 1.00 0.00 C ATOM 633 O ASN A 38 15.101 -4.935 9.529 1.00 0.00 O ATOM 634 CB ASN A 38 16.540 -2.972 7.278 1.00 0.00 C ATOM 635 CG ASN A 38 16.550 -2.224 8.611 1.00 0.00 C ATOM 636 OD1 ASN A 38 16.732 -2.901 9.713 1.00 0.00 O flip ATOM 637 ND2 ASN A 38 16.396 -1.019 8.647 1.00 0.00 N flip ATOM 0 H ASN A 38 15.989 -4.645 5.433 1.00 0.00 H new ATOM 0 HA ASN A 38 17.171 -4.865 8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.477 -2.805 6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.740 -2.594 6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.254 -0.497 7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.408 -0.530 9.542 1.00 0.00 H new ATOM 644 N GLU A 39 13.900 -4.545 7.736 1.00 0.00 N ATOM 645 CA GLU A 39 12.611 -4.732 8.496 1.00 0.00 C ATOM 646 C GLU A 39 12.007 -6.088 8.138 1.00 0.00 C ATOM 647 O GLU A 39 11.821 -6.937 8.988 1.00 0.00 O ATOM 648 CB GLU A 39 11.623 -3.623 8.112 1.00 0.00 C ATOM 649 CG GLU A 39 11.910 -2.351 8.915 1.00 0.00 C ATOM 650 CD GLU A 39 13.395 -2.004 8.823 1.00 0.00 C ATOM 651 OE1 GLU A 39 13.826 -1.643 7.744 1.00 0.00 O ATOM 652 OE2 GLU A 39 14.073 -2.098 9.833 1.00 0.00 O ATOM 0 H GLU A 39 13.789 -4.323 6.747 1.00 0.00 H new ATOM 0 HA GLU A 39 12.811 -4.687 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.700 -3.412 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.602 -3.956 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.310 -1.525 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.625 -2.496 9.957 1.00 0.00 H new ATOM 659 N LEU A 40 11.682 -6.302 6.893 1.00 0.00 N ATOM 660 CA LEU A 40 11.079 -7.609 6.518 1.00 0.00 C ATOM 661 C LEU A 40 12.169 -8.684 6.509 1.00 0.00 C ATOM 662 O LEU A 40 12.144 -9.602 5.713 1.00 0.00 O ATOM 663 CB LEU A 40 10.413 -7.520 5.139 1.00 0.00 C ATOM 664 CG LEU A 40 9.346 -6.398 5.080 1.00 0.00 C ATOM 665 CD1 LEU A 40 8.433 -6.465 6.310 1.00 0.00 C ATOM 666 CD2 LEU A 40 9.989 -4.996 4.995 1.00 0.00 C ATOM 0 H LEU A 40 11.806 -5.638 6.129 1.00 0.00 H new ATOM 0 HA LEU A 40 10.314 -7.872 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.174 -7.337 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.947 -8.476 4.899 1.00 0.00 H new ATOM 0 HG LEU A 40 8.759 -6.559 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.689 -5.671 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.930 -7.432 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.030 -6.340 7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.206 -4.238 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.613 -4.828 5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.602 -4.931 4.096 1.00 0.00 H new ATOM 678 N SER A 41 13.115 -8.593 7.410 1.00 0.00 N ATOM 679 CA SER A 41 14.186 -9.627 7.473 1.00 0.00 C ATOM 680 C SER A 41 13.619 -10.877 8.159 1.00 0.00 C ATOM 681 O SER A 41 14.141 -11.965 8.022 1.00 0.00 O ATOM 682 CB SER A 41 15.378 -9.084 8.288 1.00 0.00 C ATOM 683 OG SER A 41 15.443 -9.752 9.544 1.00 0.00 O ATOM 0 H SER A 41 13.190 -7.848 8.102 1.00 0.00 H new ATOM 0 HA SER A 41 14.526 -9.876 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 41 16.306 -9.234 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.268 -8.010 8.441 1.00 0.00 H new ATOM 0 HG SER A 41 16.202 -9.407 10.059 1.00 0.00 H new ATOM 689 N HIS A 42 12.548 -10.724 8.899 1.00 0.00 N ATOM 690 CA HIS A 42 11.933 -11.890 9.602 1.00 0.00 C ATOM 691 C HIS A 42 10.739 -12.394 8.790 1.00 0.00 C ATOM 692 O HIS A 42 10.283 -13.507 8.963 1.00 0.00 O ATOM 693 CB HIS A 42 11.456 -11.453 10.989 1.00 0.00 C ATOM 694 CG HIS A 42 12.643 -11.115 11.850 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.841 -9.846 12.373 1.00 0.00 N ATOM 696 CD2 HIS A 42 13.693 -11.874 12.295 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.975 -9.880 13.099 1.00 0.00 C ATOM 698 NE2 HIS A 42 14.529 -11.094 13.081 1.00 0.00 N ATOM 0 H HIS A 42 12.071 -9.834 9.046 1.00 0.00 H new ATOM 0 HA HIS A 42 12.670 -12.687 9.705 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.799 -10.587 10.902 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.874 -12.250 11.452 1.00 0.00 H new ATOM 0 HD2 HIS A 42 13.846 -12.919 12.069 1.00 0.00 H new ATOM 0 HE1 HIS A 42 14.384 -9.032 13.629 1.00 0.00 H new ATOM 0 HE2 HIS A 42 15.387 -11.387 13.547 1.00 0.00 H new ATOM 707 N PHE A 43 10.238 -11.583 7.892 1.00 0.00 N ATOM 708 CA PHE A 43 9.078 -12.000 7.046 1.00 0.00 C ATOM 709 C PHE A 43 9.599 -12.338 5.652 1.00 0.00 C ATOM 710 O PHE A 43 9.412 -13.430 5.152 1.00 0.00 O ATOM 711 CB PHE A 43 8.078 -10.845 6.947 1.00 0.00 C ATOM 712 CG PHE A 43 7.486 -10.567 8.306 1.00 0.00 C ATOM 713 CD1 PHE A 43 8.126 -9.682 9.184 1.00 0.00 C ATOM 714 CD2 PHE A 43 6.300 -11.201 8.693 1.00 0.00 C ATOM 715 CE1 PHE A 43 7.576 -9.430 10.447 1.00 0.00 C ATOM 716 CE2 PHE A 43 5.751 -10.948 9.956 1.00 0.00 C ATOM 717 CZ PHE A 43 6.389 -10.063 10.832 1.00 0.00 C ATOM 0 H PHE A 43 10.586 -10.642 7.707 1.00 0.00 H new ATOM 0 HA PHE A 43 8.583 -12.866 7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.575 -9.953 6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.287 -11.095 6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.043 -9.195 8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.808 -11.885 8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.068 -8.747 11.124 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.835 -11.436 10.254 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.965 -9.868 11.806 1.00 0.00 H new ATOM 727 N LEU A 44 10.267 -11.407 5.024 1.00 0.00 N ATOM 728 CA LEU A 44 10.819 -11.670 3.667 1.00 0.00 C ATOM 729 C LEU A 44 12.225 -12.240 3.813 1.00 0.00 C ATOM 730 O LEU A 44 13.057 -11.690 4.508 1.00 0.00 O ATOM 731 CB LEU A 44 10.903 -10.364 2.871 1.00 0.00 C ATOM 732 CG LEU A 44 9.500 -9.888 2.454 1.00 0.00 C ATOM 733 CD1 LEU A 44 9.622 -8.523 1.766 1.00 0.00 C ATOM 734 CD2 LEU A 44 8.854 -10.896 1.477 1.00 0.00 C ATOM 0 H LEU A 44 10.453 -10.475 5.394 1.00 0.00 H new ATOM 0 HA LEU A 44 10.169 -12.372 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.389 -9.596 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.520 -10.512 1.985 1.00 0.00 H new ATOM 0 HG LEU A 44 8.872 -9.810 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.633 -8.177 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.064 -7.805 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.256 -8.615 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.863 -10.543 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.475 -10.989 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.768 -11.868 1.962 1.00 0.00 H new ATOM 746 N GLU A 45 12.504 -13.328 3.157 1.00 0.00 N ATOM 747 CA GLU A 45 13.865 -13.913 3.249 1.00 0.00 C ATOM 748 C GLU A 45 14.880 -12.824 2.883 1.00 0.00 C ATOM 749 O GLU A 45 14.656 -12.037 1.987 1.00 0.00 O ATOM 750 CB GLU A 45 13.967 -15.078 2.268 1.00 0.00 C ATOM 751 CG GLU A 45 13.254 -14.701 0.968 1.00 0.00 C ATOM 752 CD GLU A 45 13.651 -15.676 -0.144 1.00 0.00 C ATOM 753 OE1 GLU A 45 14.828 -15.981 -0.248 1.00 0.00 O ATOM 754 OE2 GLU A 45 12.770 -16.099 -0.875 1.00 0.00 O ATOM 0 H GLU A 45 11.849 -13.836 2.562 1.00 0.00 H new ATOM 0 HA GLU A 45 14.066 -14.277 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.013 -15.312 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.517 -15.973 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.174 -14.723 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.516 -13.682 0.681 1.00 0.00 H new ATOM 761 N GLU A 46 15.985 -12.757 3.573 1.00 0.00 N ATOM 762 CA GLU A 46 16.988 -11.699 3.262 1.00 0.00 C ATOM 763 C GLU A 46 17.585 -11.943 1.873 1.00 0.00 C ATOM 764 O GLU A 46 18.388 -12.834 1.683 1.00 0.00 O ATOM 765 CB GLU A 46 18.100 -11.727 4.322 1.00 0.00 C ATOM 766 CG GLU A 46 18.421 -13.180 4.700 1.00 0.00 C ATOM 767 CD GLU A 46 19.772 -13.235 5.415 1.00 0.00 C ATOM 768 OE1 GLU A 46 20.764 -12.898 4.790 1.00 0.00 O ATOM 769 OE2 GLU A 46 19.790 -13.615 6.573 1.00 0.00 O ATOM 0 H GLU A 46 16.237 -13.386 4.336 1.00 0.00 H new ATOM 0 HA GLU A 46 16.503 -10.723 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.994 -11.235 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.786 -11.172 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.639 -13.580 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.445 -13.803 3.806 1.00 0.00 H new ATOM 776 N ILE A 47 17.208 -11.157 0.895 1.00 0.00 N ATOM 777 CA ILE A 47 17.772 -11.361 -0.472 1.00 0.00 C ATOM 778 C ILE A 47 19.244 -10.943 -0.485 1.00 0.00 C ATOM 779 O ILE A 47 19.610 -9.906 0.034 1.00 0.00 O ATOM 780 CB ILE A 47 16.991 -10.533 -1.511 1.00 0.00 C ATOM 781 CG1 ILE A 47 17.284 -9.033 -1.326 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.491 -10.782 -1.355 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.340 -8.195 -2.202 1.00 0.00 C ATOM 0 H ILE A 47 16.541 -10.391 0.984 1.00 0.00 H new ATOM 0 HA ILE A 47 17.686 -12.416 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 47 17.307 -10.838 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 47 17.160 -8.757 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.320 -8.822 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.946 -10.193 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.280 -11.840 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.176 -10.490 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.558 -7.136 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.485 -8.460 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.307 -8.394 -1.917 1.00 0.00 H new ATOM 795 N LYS A 48 20.085 -11.738 -1.089 1.00 0.00 N ATOM 796 CA LYS A 48 21.540 -11.398 -1.163 1.00 0.00 C ATOM 797 C LYS A 48 21.844 -10.897 -2.574 1.00 0.00 C ATOM 798 O LYS A 48 22.846 -10.252 -2.820 1.00 0.00 O ATOM 799 CB LYS A 48 22.357 -12.658 -0.876 1.00 0.00 C ATOM 800 CG LYS A 48 22.092 -13.120 0.560 1.00 0.00 C ATOM 801 CD LYS A 48 23.183 -14.094 1.003 1.00 0.00 C ATOM 802 CE LYS A 48 23.311 -15.238 -0.008 1.00 0.00 C ATOM 803 NZ LYS A 48 24.095 -14.773 -1.186 1.00 0.00 N ATOM 0 H LYS A 48 19.827 -12.616 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 48 21.794 -10.629 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.089 -13.447 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.419 -12.456 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.067 -12.260 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.116 -13.601 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.134 -13.570 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.945 -14.494 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.803 -16.094 0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.322 -15.571 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.451 -14.595 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.598 -13.895 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 24.784 -15.504 -1.455 1.00 0.00 H new ATOM 817 N GLU A 49 20.961 -11.185 -3.498 1.00 0.00 N ATOM 818 CA GLU A 49 21.142 -10.742 -4.912 1.00 0.00 C ATOM 819 C GLU A 49 19.979 -9.821 -5.271 1.00 0.00 C ATOM 820 O GLU A 49 18.844 -10.067 -4.913 1.00 0.00 O ATOM 821 CB GLU A 49 21.140 -11.957 -5.847 1.00 0.00 C ATOM 822 CG GLU A 49 22.402 -12.793 -5.613 1.00 0.00 C ATOM 823 CD GLU A 49 22.366 -14.035 -6.509 1.00 0.00 C ATOM 824 OE1 GLU A 49 22.462 -13.874 -7.715 1.00 0.00 O ATOM 825 OE2 GLU A 49 22.243 -15.124 -5.976 1.00 0.00 O ATOM 0 H GLU A 49 20.108 -11.718 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 49 22.093 -10.220 -5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.252 -12.564 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.098 -11.628 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.290 -12.200 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.466 -13.089 -4.566 1.00 0.00 H new ATOM 832 N GLN A 50 20.247 -8.763 -5.967 1.00 0.00 N ATOM 833 CA GLN A 50 19.153 -7.824 -6.338 1.00 0.00 C ATOM 834 C GLN A 50 18.352 -8.410 -7.505 1.00 0.00 C ATOM 835 O GLN A 50 17.268 -7.958 -7.817 1.00 0.00 O ATOM 836 CB GLN A 50 19.762 -6.479 -6.752 1.00 0.00 C ATOM 837 CG GLN A 50 20.888 -6.714 -7.772 1.00 0.00 C ATOM 838 CD GLN A 50 21.135 -5.437 -8.578 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.892 -4.584 -8.164 1.00 0.00 O ATOM 840 NE2 GLN A 50 20.533 -5.278 -9.723 1.00 0.00 N ATOM 0 H GLN A 50 21.176 -8.502 -6.298 1.00 0.00 H new ATOM 0 HA GLN A 50 18.490 -7.676 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 50 18.994 -5.838 -7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.153 -5.961 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.801 -7.012 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.619 -7.531 -8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.897 -5.997 -10.069 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.698 -4.435 -10.273 1.00 0.00 H new ATOM 849 N GLU A 51 18.878 -9.406 -8.162 1.00 0.00 N ATOM 850 CA GLU A 51 18.158 -10.005 -9.313 1.00 0.00 C ATOM 851 C GLU A 51 16.700 -10.258 -8.954 1.00 0.00 C ATOM 852 O GLU A 51 15.820 -10.112 -9.779 1.00 0.00 O ATOM 853 CB GLU A 51 18.836 -11.316 -9.722 1.00 0.00 C ATOM 854 CG GLU A 51 18.258 -11.809 -11.051 1.00 0.00 C ATOM 855 CD GLU A 51 18.768 -13.224 -11.331 1.00 0.00 C ATOM 856 OE1 GLU A 51 19.882 -13.517 -10.927 1.00 0.00 O ATOM 857 OE2 GLU A 51 18.037 -13.989 -11.937 1.00 0.00 O ATOM 0 H GLU A 51 19.780 -9.831 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 51 18.191 -9.309 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.911 -11.165 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.687 -12.069 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.169 -11.804 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.550 -11.138 -11.859 1.00 0.00 H new ATOM 864 N VAL A 52 16.412 -10.614 -7.738 1.00 0.00 N ATOM 865 CA VAL A 52 14.986 -10.831 -7.380 1.00 0.00 C ATOM 866 C VAL A 52 14.346 -9.476 -7.201 1.00 0.00 C ATOM 867 O VAL A 52 13.221 -9.250 -7.598 1.00 0.00 O ATOM 868 CB VAL A 52 14.870 -11.662 -6.101 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.570 -13.002 -6.309 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.529 -10.923 -4.931 1.00 0.00 C ATOM 0 H VAL A 52 17.087 -10.762 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 52 14.478 -11.385 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 52 13.816 -11.823 -5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.491 -13.599 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 52 15.099 -13.534 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.621 -12.831 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.441 -11.523 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.583 -10.755 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.033 -9.964 -4.780 1.00 0.00 H new ATOM 880 N VAL A 53 15.063 -8.557 -6.639 1.00 0.00 N ATOM 881 CA VAL A 53 14.505 -7.197 -6.474 1.00 0.00 C ATOM 882 C VAL A 53 14.313 -6.632 -7.881 1.00 0.00 C ATOM 883 O VAL A 53 13.487 -5.776 -8.120 1.00 0.00 O ATOM 884 CB VAL A 53 15.470 -6.351 -5.591 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.255 -5.309 -6.408 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.679 -5.624 -4.501 1.00 0.00 C ATOM 0 H VAL A 53 16.011 -8.687 -6.286 1.00 0.00 H new ATOM 0 HA VAL A 53 13.544 -7.190 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 53 16.185 -7.046 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.912 -4.747 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.852 -5.816 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.557 -4.626 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.361 -5.035 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.945 -4.964 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.167 -6.354 -3.874 1.00 0.00 H new ATOM 896 N ASP A 54 15.061 -7.147 -8.816 1.00 0.00 N ATOM 897 CA ASP A 54 14.917 -6.693 -10.223 1.00 0.00 C ATOM 898 C ASP A 54 13.669 -7.363 -10.791 1.00 0.00 C ATOM 899 O ASP A 54 12.966 -6.813 -11.616 1.00 0.00 O ATOM 900 CB ASP A 54 16.153 -7.119 -11.025 1.00 0.00 C ATOM 901 CG ASP A 54 16.031 -6.630 -12.467 1.00 0.00 C ATOM 902 OD1 ASP A 54 16.348 -5.476 -12.710 1.00 0.00 O ATOM 903 OD2 ASP A 54 15.626 -7.418 -13.306 1.00 0.00 O ATOM 0 H ASP A 54 15.768 -7.866 -8.664 1.00 0.00 H new ATOM 0 HA ASP A 54 14.827 -5.608 -10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.053 -6.709 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.253 -8.204 -11.007 1.00 0.00 H new ATOM 908 N LYS A 55 13.391 -8.553 -10.330 1.00 0.00 N ATOM 909 CA LYS A 55 12.187 -9.285 -10.810 1.00 0.00 C ATOM 910 C LYS A 55 10.946 -8.724 -10.115 1.00 0.00 C ATOM 911 O LYS A 55 10.007 -8.289 -10.757 1.00 0.00 O ATOM 912 CB LYS A 55 12.335 -10.780 -10.479 1.00 0.00 C ATOM 913 CG LYS A 55 11.030 -11.551 -10.811 1.00 0.00 C ATOM 914 CD LYS A 55 10.297 -11.939 -9.516 1.00 0.00 C ATOM 915 CE LYS A 55 8.861 -12.365 -9.835 1.00 0.00 C ATOM 916 NZ LYS A 55 8.852 -13.250 -11.039 1.00 0.00 N ATOM 0 H LYS A 55 13.951 -9.051 -9.638 1.00 0.00 H new ATOM 0 HA LYS A 55 12.086 -9.162 -11.888 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.166 -11.202 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.575 -10.901 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.382 -10.933 -11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.265 -12.446 -11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.825 -12.753 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.290 -11.096 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.430 -12.890 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.242 -11.486 -10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.978 -13.813 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.899 -12.667 -11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.673 -13.887 -11.008 1.00 0.00 H new ATOM 930 N VAL A 56 10.934 -8.711 -8.806 1.00 0.00 N ATOM 931 CA VAL A 56 9.752 -8.156 -8.082 1.00 0.00 C ATOM 932 C VAL A 56 9.419 -6.791 -8.691 1.00 0.00 C ATOM 933 O VAL A 56 8.274 -6.464 -8.927 1.00 0.00 O ATOM 934 CB VAL A 56 10.056 -8.031 -6.573 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.829 -6.740 -6.273 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.737 -8.016 -5.786 1.00 0.00 C ATOM 0 H VAL A 56 11.686 -9.058 -8.211 1.00 0.00 H new ATOM 0 HA VAL A 56 8.896 -8.823 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 56 10.667 -8.883 -6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.030 -6.677 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.772 -6.745 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.235 -5.880 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.950 -7.928 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.132 -7.168 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.192 -8.942 -5.972 1.00 0.00 H new ATOM 946 N MET A 57 10.426 -6.010 -8.967 1.00 0.00 N ATOM 947 CA MET A 57 10.191 -4.678 -9.587 1.00 0.00 C ATOM 948 C MET A 57 9.508 -4.881 -10.934 1.00 0.00 C ATOM 949 O MET A 57 8.753 -4.049 -11.391 1.00 0.00 O ATOM 950 CB MET A 57 11.536 -3.976 -9.794 1.00 0.00 C ATOM 951 CG MET A 57 12.074 -3.490 -8.445 1.00 0.00 C ATOM 952 SD MET A 57 11.330 -1.883 -8.064 1.00 0.00 S ATOM 953 CE MET A 57 12.846 -0.894 -8.068 1.00 0.00 C ATOM 0 H MET A 57 11.404 -6.238 -8.789 1.00 0.00 H new ATOM 0 HA MET A 57 9.560 -4.067 -8.941 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.248 -4.660 -10.256 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.417 -3.133 -10.475 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.837 -4.211 -7.662 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.160 -3.404 -8.481 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.589 0.165 -8.082 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.427 -1.115 -7.173 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.436 -1.136 -8.952 1.00 0.00 H new ATOM 963 N GLU A 58 9.756 -5.988 -11.571 1.00 0.00 N ATOM 964 CA GLU A 58 9.105 -6.246 -12.881 1.00 0.00 C ATOM 965 C GLU A 58 7.610 -6.435 -12.648 1.00 0.00 C ATOM 966 O GLU A 58 6.786 -5.992 -13.422 1.00 0.00 O ATOM 967 CB GLU A 58 9.697 -7.513 -13.500 1.00 0.00 C ATOM 968 CG GLU A 58 9.320 -7.589 -14.982 1.00 0.00 C ATOM 969 CD GLU A 58 10.134 -6.562 -15.769 1.00 0.00 C ATOM 970 OE1 GLU A 58 11.305 -6.816 -16.002 1.00 0.00 O ATOM 971 OE2 GLU A 58 9.574 -5.538 -16.128 1.00 0.00 O ATOM 0 H GLU A 58 10.380 -6.724 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 58 9.272 -5.409 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.781 -7.510 -13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.326 -8.393 -12.975 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.511 -8.591 -15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.254 -7.397 -15.107 1.00 0.00 H new ATOM 978 N THR A 59 7.257 -7.081 -11.577 1.00 0.00 N ATOM 979 CA THR A 59 5.819 -7.296 -11.280 1.00 0.00 C ATOM 980 C THR A 59 5.226 -6.019 -10.693 1.00 0.00 C ATOM 981 O THR A 59 4.045 -5.764 -10.819 1.00 0.00 O ATOM 982 CB THR A 59 5.665 -8.436 -10.270 1.00 0.00 C ATOM 983 OG1 THR A 59 6.264 -9.614 -10.792 1.00 0.00 O ATOM 984 CG2 THR A 59 4.181 -8.687 -10.017 1.00 0.00 C ATOM 0 H THR A 59 7.905 -7.471 -10.892 1.00 0.00 H new ATOM 0 HA THR A 59 5.296 -7.555 -12.201 1.00 0.00 H new ATOM 0 HB THR A 59 6.154 -8.166 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.168 -10.344 -10.145 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.067 -9.498 -9.298 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.722 -7.782 -9.619 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.693 -8.960 -10.953 1.00 0.00 H new ATOM 992 N LEU A 60 6.030 -5.216 -10.036 1.00 0.00 N ATOM 993 CA LEU A 60 5.490 -3.955 -9.424 1.00 0.00 C ATOM 994 C LEU A 60 5.754 -2.738 -10.326 1.00 0.00 C ATOM 995 O LEU A 60 4.875 -1.921 -10.518 1.00 0.00 O ATOM 996 CB LEU A 60 6.145 -3.732 -8.051 1.00 0.00 C ATOM 997 CG LEU A 60 5.319 -4.405 -6.941 1.00 0.00 C ATOM 998 CD1 LEU A 60 3.939 -3.717 -6.779 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.129 -5.895 -7.263 1.00 0.00 C ATOM 0 H LEU A 60 7.028 -5.375 -9.897 1.00 0.00 H new ATOM 0 HA LEU A 60 4.411 -4.064 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.157 -4.137 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.230 -2.664 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 60 5.861 -4.304 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.376 -4.213 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.084 -2.668 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.386 -3.786 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.543 -6.366 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.606 -5.998 -8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.103 -6.380 -7.331 1.00 0.00 H new ATOM 1011 N ASP A 61 6.928 -2.583 -10.884 1.00 0.00 N ATOM 1012 CA ASP A 61 7.174 -1.391 -11.760 1.00 0.00 C ATOM 1013 C ASP A 61 6.145 -1.346 -12.880 1.00 0.00 C ATOM 1014 O ASP A 61 6.245 -2.037 -13.877 1.00 0.00 O ATOM 1015 CB ASP A 61 8.585 -1.471 -12.348 1.00 0.00 C ATOM 1016 CG ASP A 61 9.002 -0.098 -12.881 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.211 0.825 -12.774 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.106 0.007 -13.385 1.00 0.00 O ATOM 0 H ASP A 61 7.718 -3.219 -10.775 1.00 0.00 H new ATOM 0 HA ASP A 61 7.083 -0.483 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.289 -1.804 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.613 -2.207 -13.151 1.00 0.00 H new ATOM 1023 N GLU A 62 5.159 -0.516 -12.719 1.00 0.00 N ATOM 1024 CA GLU A 62 4.103 -0.381 -13.760 1.00 0.00 C ATOM 1025 C GLU A 62 4.522 0.710 -14.726 1.00 0.00 C ATOM 1026 O GLU A 62 4.395 0.577 -15.926 1.00 0.00 O ATOM 1027 CB GLU A 62 2.766 -0.026 -13.091 1.00 0.00 C ATOM 1028 CG GLU A 62 2.137 -1.301 -12.517 1.00 0.00 C ATOM 1029 CD GLU A 62 0.972 -0.943 -11.594 1.00 0.00 C ATOM 1030 OE1 GLU A 62 1.218 -0.346 -10.562 1.00 0.00 O ATOM 1031 OE2 GLU A 62 -0.149 -1.281 -11.935 1.00 0.00 O ATOM 0 H GLU A 62 5.036 0.083 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 62 3.977 -1.318 -14.302 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.925 0.705 -12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.093 0.432 -13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.786 -1.939 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.886 -1.869 -11.966 1.00 0.00 H new ATOM 1038 N ASP A 63 5.047 1.778 -14.210 1.00 0.00 N ATOM 1039 CA ASP A 63 5.505 2.870 -15.093 1.00 0.00 C ATOM 1040 C ASP A 63 6.842 2.459 -15.708 1.00 0.00 C ATOM 1041 O ASP A 63 7.388 3.158 -16.538 1.00 0.00 O ATOM 1042 CB ASP A 63 5.680 4.149 -14.266 1.00 0.00 C ATOM 1043 CG ASP A 63 6.199 3.781 -12.877 1.00 0.00 C ATOM 1044 OD1 ASP A 63 6.842 2.751 -12.764 1.00 0.00 O ATOM 1045 OD2 ASP A 63 5.941 4.530 -11.951 1.00 0.00 O ATOM 0 H ASP A 63 5.178 1.940 -13.212 1.00 0.00 H new ATOM 0 HA ASP A 63 4.776 3.057 -15.882 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.378 4.824 -14.761 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.730 4.677 -14.184 1.00 0.00 H new ATOM 1050 N GLY A 64 7.381 1.331 -15.306 1.00 0.00 N ATOM 1051 CA GLY A 64 8.684 0.903 -15.881 1.00 0.00 C ATOM 1052 C GLY A 64 9.721 1.974 -15.563 1.00 0.00 C ATOM 1053 O GLY A 64 10.498 2.370 -16.412 1.00 0.00 O ATOM 0 H GLY A 64 6.977 0.700 -14.614 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.988 -0.056 -15.462 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.597 0.766 -16.959 1.00 0.00 H new ATOM 1057 N ASP A 65 9.731 2.460 -14.347 1.00 0.00 N ATOM 1058 CA ASP A 65 10.711 3.529 -13.972 1.00 0.00 C ATOM 1059 C ASP A 65 11.889 2.916 -13.225 1.00 0.00 C ATOM 1060 O ASP A 65 12.851 3.590 -12.914 1.00 0.00 O ATOM 1061 CB ASP A 65 10.026 4.552 -13.065 1.00 0.00 C ATOM 1062 CG ASP A 65 9.258 3.820 -11.963 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.474 2.628 -11.808 1.00 0.00 O ATOM 1064 OD2 ASP A 65 8.469 4.463 -11.291 1.00 0.00 O ATOM 0 H ASP A 65 9.105 2.164 -13.598 1.00 0.00 H new ATOM 0 HA ASP A 65 11.069 4.016 -14.879 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.768 5.219 -12.625 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.345 5.173 -13.647 1.00 0.00 H new ATOM 1069 N GLY A 66 11.828 1.649 -12.926 1.00 0.00 N ATOM 1070 CA GLY A 66 12.961 1.018 -12.192 1.00 0.00 C ATOM 1071 C GLY A 66 13.006 1.582 -10.777 1.00 0.00 C ATOM 1072 O GLY A 66 13.843 1.225 -9.974 1.00 0.00 O ATOM 0 H GLY A 66 11.052 1.028 -13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.835 -0.064 -12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.901 1.216 -12.707 1.00 0.00 H new ATOM 1076 N GLU A 67 12.086 2.456 -10.466 1.00 0.00 N ATOM 1077 CA GLU A 67 12.017 3.059 -9.100 1.00 0.00 C ATOM 1078 C GLU A 67 10.645 2.716 -8.526 1.00 0.00 C ATOM 1079 O GLU A 67 9.811 2.164 -9.215 1.00 0.00 O ATOM 1080 CB GLU A 67 12.181 4.580 -9.190 1.00 0.00 C ATOM 1081 CG GLU A 67 13.577 4.922 -9.723 1.00 0.00 C ATOM 1082 CD GLU A 67 13.749 6.443 -9.775 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.301 7.038 -10.742 1.00 0.00 O ATOM 1084 OE2 GLU A 67 14.334 6.986 -8.852 1.00 0.00 O ATOM 0 H GLU A 67 11.367 2.784 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 67 12.812 2.670 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.418 4.999 -9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.037 5.029 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.340 4.481 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.712 4.496 -10.717 1.00 0.00 H new ATOM 1091 N CYS A 68 10.398 3.013 -7.276 1.00 0.00 N ATOM 1092 CA CYS A 68 9.067 2.677 -6.665 1.00 0.00 C ATOM 1093 C CYS A 68 8.443 3.906 -6.010 1.00 0.00 C ATOM 1094 O CYS A 68 8.670 4.176 -4.847 1.00 0.00 O ATOM 1095 CB CYS A 68 9.255 1.600 -5.595 1.00 0.00 C ATOM 1096 SG CYS A 68 10.301 0.278 -6.241 1.00 0.00 S ATOM 0 H CYS A 68 11.057 3.473 -6.648 1.00 0.00 H new ATOM 0 HA CYS A 68 8.409 2.320 -7.457 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.709 2.034 -4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.287 1.198 -5.296 1.00 0.00 H new ATOM 0 HG CYS A 68 9.840 -0.117 -7.391 1.00 0.00 H new ATOM 1102 N ASP A 69 7.662 4.660 -6.738 1.00 0.00 N ATOM 1103 CA ASP A 69 7.025 5.859 -6.132 1.00 0.00 C ATOM 1104 C ASP A 69 6.296 5.431 -4.855 1.00 0.00 C ATOM 1105 O ASP A 69 6.395 4.301 -4.428 1.00 0.00 O ATOM 1106 CB ASP A 69 6.038 6.468 -7.133 1.00 0.00 C ATOM 1107 CG ASP A 69 6.745 6.687 -8.470 1.00 0.00 C ATOM 1108 OD1 ASP A 69 7.574 7.580 -8.539 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.451 5.954 -9.402 1.00 0.00 O ATOM 0 H ASP A 69 7.440 4.496 -7.720 1.00 0.00 H new ATOM 0 HA ASP A 69 7.778 6.608 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.182 5.806 -7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.654 7.414 -6.752 1.00 0.00 H new ATOM 1114 N PHE A 70 5.575 6.309 -4.226 1.00 0.00 N ATOM 1115 CA PHE A 70 4.876 5.917 -2.967 1.00 0.00 C ATOM 1116 C PHE A 70 3.664 5.024 -3.259 1.00 0.00 C ATOM 1117 O PHE A 70 3.296 4.194 -2.450 1.00 0.00 O ATOM 1118 CB PHE A 70 4.408 7.181 -2.229 1.00 0.00 C ATOM 1119 CG PHE A 70 4.035 8.259 -3.228 1.00 0.00 C ATOM 1120 CD1 PHE A 70 2.836 8.173 -3.945 1.00 0.00 C ATOM 1121 CD2 PHE A 70 4.890 9.350 -3.433 1.00 0.00 C ATOM 1122 CE1 PHE A 70 2.492 9.174 -4.862 1.00 0.00 C ATOM 1123 CE2 PHE A 70 4.546 10.350 -4.349 1.00 0.00 C ATOM 1124 CZ PHE A 70 3.349 10.262 -5.066 1.00 0.00 C ATOM 0 H PHE A 70 5.437 7.275 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 70 5.576 5.355 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.551 6.947 -1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.199 7.542 -1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.175 7.333 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.817 9.419 -2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.565 9.107 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.206 11.191 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.086 11.032 -5.776 1.00 0.00 H new ATOM 1134 N GLN A 71 3.023 5.202 -4.378 1.00 0.00 N ATOM 1135 CA GLN A 71 1.815 4.382 -4.679 1.00 0.00 C ATOM 1136 C GLN A 71 2.211 2.973 -5.100 1.00 0.00 C ATOM 1137 O GLN A 71 1.501 2.016 -4.853 1.00 0.00 O ATOM 1138 CB GLN A 71 0.981 5.057 -5.780 1.00 0.00 C ATOM 1139 CG GLN A 71 1.843 5.379 -7.011 1.00 0.00 C ATOM 1140 CD GLN A 71 1.956 4.145 -7.914 1.00 0.00 C ATOM 1141 OE1 GLN A 71 1.360 3.120 -7.644 1.00 0.00 O ATOM 1142 NE2 GLN A 71 2.704 4.206 -8.986 1.00 0.00 N ATOM 0 H GLN A 71 3.281 5.878 -5.097 1.00 0.00 H new ATOM 0 HA GLN A 71 1.211 4.309 -3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.159 4.403 -6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.538 5.974 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.402 6.206 -7.567 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.836 5.700 -6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.203 5.066 -9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.788 3.393 -9.596 1.00 0.00 H new ATOM 1151 N GLU A 72 3.343 2.816 -5.709 1.00 0.00 N ATOM 1152 CA GLU A 72 3.778 1.457 -6.123 1.00 0.00 C ATOM 1153 C GLU A 72 4.580 0.821 -4.983 1.00 0.00 C ATOM 1154 O GLU A 72 4.439 -0.350 -4.689 1.00 0.00 O ATOM 1155 CB GLU A 72 4.624 1.595 -7.390 1.00 0.00 C ATOM 1156 CG GLU A 72 5.390 0.298 -7.683 1.00 0.00 C ATOM 1157 CD GLU A 72 6.135 0.460 -8.998 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.474 0.660 -10.002 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.354 0.385 -8.980 1.00 0.00 O ATOM 0 H GLU A 72 3.990 3.570 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 72 2.924 0.814 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.982 1.841 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.328 2.419 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.090 0.082 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.700 -0.544 -7.741 1.00 0.00 H new ATOM 1166 N PHE A 73 5.412 1.583 -4.336 1.00 0.00 N ATOM 1167 CA PHE A 73 6.213 1.024 -3.211 1.00 0.00 C ATOM 1168 C PHE A 73 5.257 0.472 -2.162 1.00 0.00 C ATOM 1169 O PHE A 73 5.492 -0.546 -1.548 1.00 0.00 O ATOM 1170 CB PHE A 73 7.044 2.144 -2.584 1.00 0.00 C ATOM 1171 CG PHE A 73 7.561 1.750 -1.207 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.950 0.423 -0.922 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.670 2.734 -0.218 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.444 0.102 0.351 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.168 2.409 1.045 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.555 1.099 1.330 1.00 0.00 C ATOM 0 H PHE A 73 5.574 2.570 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 73 6.871 0.235 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.885 2.383 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.438 3.046 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.868 -0.341 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.368 3.748 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.739 -0.912 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.254 3.173 1.803 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.941 0.852 2.308 1.00 0.00 H new ATOM 1186 N MET A 74 4.180 1.159 -1.947 1.00 0.00 N ATOM 1187 CA MET A 74 3.198 0.707 -0.936 1.00 0.00 C ATOM 1188 C MET A 74 2.384 -0.441 -1.519 1.00 0.00 C ATOM 1189 O MET A 74 1.788 -1.220 -0.809 1.00 0.00 O ATOM 1190 CB MET A 74 2.307 1.885 -0.552 1.00 0.00 C ATOM 1191 CG MET A 74 1.314 1.470 0.537 1.00 0.00 C ATOM 1192 SD MET A 74 0.895 2.913 1.546 1.00 0.00 S ATOM 1193 CE MET A 74 -0.359 2.098 2.556 1.00 0.00 C ATOM 0 H MET A 74 3.935 2.022 -2.432 1.00 0.00 H new ATOM 0 HA MET A 74 3.700 0.350 -0.037 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.921 2.713 -0.197 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.767 2.242 -1.429 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.414 1.054 0.085 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.747 0.689 1.161 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.630 2.744 3.391 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.243 1.900 1.949 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.037 1.157 2.938 1.00 0.00 H new ATOM 1203 N ALA A 75 2.433 -0.592 -2.809 1.00 0.00 N ATOM 1204 CA ALA A 75 1.735 -1.749 -3.439 1.00 0.00 C ATOM 1205 C ALA A 75 2.620 -2.976 -3.240 1.00 0.00 C ATOM 1206 O ALA A 75 2.170 -4.104 -3.279 1.00 0.00 O ATOM 1207 CB ALA A 75 1.527 -1.495 -4.931 1.00 0.00 C ATOM 0 H ALA A 75 2.922 0.029 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 75 0.756 -1.897 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.016 -2.348 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.922 -0.598 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.494 -1.357 -5.415 1.00 0.00 H new ATOM 1213 N PHE A 76 3.886 -2.750 -3.026 1.00 0.00 N ATOM 1214 CA PHE A 76 4.821 -3.892 -2.827 1.00 0.00 C ATOM 1215 C PHE A 76 4.581 -4.524 -1.451 1.00 0.00 C ATOM 1216 O PHE A 76 4.413 -5.719 -1.337 1.00 0.00 O ATOM 1217 CB PHE A 76 6.272 -3.400 -2.948 1.00 0.00 C ATOM 1218 CG PHE A 76 7.236 -4.424 -2.375 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.147 -5.770 -2.759 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.211 -4.027 -1.452 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.031 -6.710 -2.221 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.096 -4.967 -0.917 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.006 -6.309 -1.301 1.00 0.00 C ATOM 0 H PHE A 76 4.313 -1.825 -2.980 1.00 0.00 H new ATOM 0 HA PHE A 76 4.642 -4.646 -3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.512 -3.213 -3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.385 -2.452 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.396 -6.080 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.279 -2.992 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.961 -7.747 -2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.849 -4.657 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.689 -7.036 -0.887 1.00 0.00 H new ATOM 1233 N VAL A 77 4.537 -3.746 -0.405 1.00 0.00 N ATOM 1234 CA VAL A 77 4.281 -4.351 0.931 1.00 0.00 C ATOM 1235 C VAL A 77 2.958 -5.100 0.857 1.00 0.00 C ATOM 1236 O VAL A 77 2.765 -6.121 1.481 1.00 0.00 O ATOM 1237 CB VAL A 77 4.201 -3.259 1.994 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.661 -3.848 3.300 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.595 -2.695 2.237 1.00 0.00 C ATOM 0 H VAL A 77 4.665 -2.734 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 77 5.090 -5.030 1.200 1.00 0.00 H new ATOM 0 HB VAL A 77 3.534 -2.468 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.605 -3.065 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.666 -4.259 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.327 -4.639 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.544 -1.914 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.255 -3.492 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.984 -2.275 1.310 1.00 0.00 H new ATOM 1249 N SER A 78 2.051 -4.590 0.075 1.00 0.00 N ATOM 1250 CA SER A 78 0.736 -5.250 -0.082 1.00 0.00 C ATOM 1251 C SER A 78 0.973 -6.615 -0.716 1.00 0.00 C ATOM 1252 O SER A 78 0.364 -7.605 -0.368 1.00 0.00 O ATOM 1253 CB SER A 78 -0.134 -4.392 -1.004 1.00 0.00 C ATOM 1254 OG SER A 78 0.324 -3.055 -0.942 1.00 0.00 O ATOM 0 H SER A 78 2.170 -3.734 -0.467 1.00 0.00 H new ATOM 0 HA SER A 78 0.235 -5.367 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.081 -4.763 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.179 -4.448 -0.699 1.00 0.00 H new ATOM 0 HG SER A 78 0.563 -2.834 -0.018 1.00 0.00 H new ATOM 1260 N MET A 79 1.898 -6.661 -1.625 1.00 0.00 N ATOM 1261 CA MET A 79 2.241 -7.942 -2.287 1.00 0.00 C ATOM 1262 C MET A 79 2.894 -8.840 -1.246 1.00 0.00 C ATOM 1263 O MET A 79 2.829 -10.052 -1.314 1.00 0.00 O ATOM 1264 CB MET A 79 3.225 -7.674 -3.436 1.00 0.00 C ATOM 1265 CG MET A 79 3.493 -8.965 -4.235 1.00 0.00 C ATOM 1266 SD MET A 79 5.204 -8.953 -4.838 1.00 0.00 S ATOM 1267 CE MET A 79 4.897 -9.667 -6.470 1.00 0.00 C ATOM 0 H MET A 79 2.438 -5.855 -1.941 1.00 0.00 H new ATOM 0 HA MET A 79 1.350 -8.419 -2.694 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.820 -6.908 -4.098 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.162 -7.286 -3.036 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.324 -9.838 -3.605 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.800 -9.038 -5.073 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.832 -9.715 -7.028 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.490 -10.672 -6.357 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.183 -9.045 -7.011 1.00 0.00 H new ATOM 1277 N VAL A 80 3.497 -8.239 -0.256 1.00 0.00 N ATOM 1278 CA VAL A 80 4.134 -9.017 0.831 1.00 0.00 C ATOM 1279 C VAL A 80 3.046 -9.328 1.831 1.00 0.00 C ATOM 1280 O VAL A 80 3.007 -10.384 2.432 1.00 0.00 O ATOM 1281 CB VAL A 80 5.221 -8.186 1.526 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.923 -9.045 2.578 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.246 -7.692 0.502 1.00 0.00 C ATOM 0 H VAL A 80 3.573 -7.227 -0.158 1.00 0.00 H new ATOM 0 HA VAL A 80 4.598 -9.919 0.432 1.00 0.00 H new ATOM 0 HB VAL A 80 4.757 -7.324 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.695 -8.456 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.196 -9.383 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.379 -9.910 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.012 -7.104 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.711 -8.547 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.747 -7.073 -0.243 1.00 0.00 H new ATOM 1293 N THR A 81 2.145 -8.405 2.007 1.00 0.00 N ATOM 1294 CA THR A 81 1.042 -8.636 2.957 1.00 0.00 C ATOM 1295 C THR A 81 0.109 -9.661 2.351 1.00 0.00 C ATOM 1296 O THR A 81 -0.462 -10.474 3.048 1.00 0.00 O ATOM 1297 CB THR A 81 0.264 -7.333 3.190 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.165 -6.283 3.504 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.744 -7.505 4.334 1.00 0.00 C ATOM 0 H THR A 81 2.131 -7.503 1.531 1.00 0.00 H new ATOM 0 HA THR A 81 1.442 -8.985 3.909 1.00 0.00 H new ATOM 0 HB THR A 81 -0.279 -7.086 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.561 -5.933 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.286 -6.571 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.449 -8.297 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.214 -7.769 5.249 1.00 0.00 H new ATOM 1307 N THR A 82 -0.086 -9.618 1.057 1.00 0.00 N ATOM 1308 CA THR A 82 -1.027 -10.579 0.425 1.00 0.00 C ATOM 1309 C THR A 82 -0.502 -12.005 0.535 1.00 0.00 C ATOM 1310 O THR A 82 -1.249 -12.921 0.811 1.00 0.00 O ATOM 1311 CB THR A 82 -1.204 -10.188 -1.038 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.069 -10.049 -1.649 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.968 -8.853 -1.117 1.00 0.00 C ATOM 0 H THR A 82 0.364 -8.962 0.419 1.00 0.00 H new ATOM 0 HA THR A 82 -1.987 -10.542 0.940 1.00 0.00 H new ATOM 0 HB THR A 82 -1.769 -10.961 -1.559 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.042 -9.957 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.097 -8.569 -2.161 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.945 -8.965 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.403 -8.079 -0.598 1.00 0.00 H new ATOM 1321 N ALA A 83 0.771 -12.219 0.341 1.00 0.00 N ATOM 1322 CA ALA A 83 1.293 -13.602 0.467 1.00 0.00 C ATOM 1323 C ALA A 83 1.019 -14.081 1.886 1.00 0.00 C ATOM 1324 O ALA A 83 0.816 -15.254 2.134 1.00 0.00 O ATOM 1325 CB ALA A 83 2.801 -13.611 0.210 1.00 0.00 C ATOM 0 H ALA A 83 1.460 -11.505 0.104 1.00 0.00 H new ATOM 0 HA ALA A 83 0.808 -14.255 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.180 -14.629 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.001 -13.240 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.298 -12.970 0.938 1.00 0.00 H new ATOM 1331 N CYS A 84 1.003 -13.171 2.821 1.00 0.00 N ATOM 1332 CA CYS A 84 0.733 -13.562 4.232 1.00 0.00 C ATOM 1333 C CYS A 84 -0.765 -13.824 4.409 1.00 0.00 C ATOM 1334 O CYS A 84 -1.178 -14.520 5.317 1.00 0.00 O ATOM 1335 CB CYS A 84 1.167 -12.433 5.167 1.00 0.00 C ATOM 1336 SG CYS A 84 2.977 -12.341 5.212 1.00 0.00 S ATOM 0 H CYS A 84 1.165 -12.176 2.669 1.00 0.00 H new ATOM 0 HA CYS A 84 1.292 -14.466 4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.753 -11.485 4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.777 -12.608 6.170 1.00 0.00 H new ATOM 0 HG CYS A 84 3.398 -11.599 4.231 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.583 -13.275 3.550 1.00 0.00 N ATOM 1343 CA HIS A 85 -3.054 -13.499 3.667 1.00 0.00 C ATOM 1344 C HIS A 85 -3.430 -14.774 2.913 1.00 0.00 C ATOM 1345 O HIS A 85 -4.291 -15.522 3.336 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.807 -12.314 3.057 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.245 -12.328 3.512 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.605 -12.322 4.855 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.424 -12.347 2.810 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.951 -12.336 4.915 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.499 -12.352 3.696 1.00 0.00 N ATOM 0 H HIS A 85 -1.296 -12.681 2.772 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.322 -13.596 4.719 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.332 -11.379 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.761 -12.364 1.969 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -4.966 -12.309 5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.506 -12.357 1.733 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.517 -12.334 5.835 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.788 -15.036 1.802 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.112 -16.272 1.035 1.00 0.00 C ATOM 1361 C GLU A 86 -2.464 -17.478 1.725 1.00 0.00 C ATOM 1362 O GLU A 86 -2.914 -18.598 1.597 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.602 -16.134 -0.413 1.00 0.00 C ATOM 1364 CG GLU A 86 -1.079 -16.374 -0.488 1.00 0.00 C ATOM 1365 CD GLU A 86 -0.788 -17.865 -0.713 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -1.468 -18.465 -1.530 1.00 0.00 O ATOM 1367 OE2 GLU A 86 0.115 -18.376 -0.069 1.00 0.00 O ATOM 0 H GLU A 86 -2.058 -14.450 1.397 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.192 -16.419 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.118 -16.849 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.836 -15.139 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.650 -15.786 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.605 -16.038 0.434 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.407 -17.252 2.459 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.720 -18.374 3.165 1.00 0.00 C ATOM 1376 C PHE A 87 -1.657 -18.980 4.215 1.00 0.00 C ATOM 1377 O PHE A 87 -1.927 -20.166 4.212 1.00 0.00 O ATOM 1378 CB PHE A 87 0.537 -17.835 3.854 1.00 0.00 C ATOM 1379 CG PHE A 87 1.219 -18.943 4.619 1.00 0.00 C ATOM 1380 CD1 PHE A 87 2.126 -19.788 3.968 1.00 0.00 C ATOM 1381 CD2 PHE A 87 0.949 -19.124 5.985 1.00 0.00 C ATOM 1382 CE1 PHE A 87 2.762 -20.814 4.676 1.00 0.00 C ATOM 1383 CE2 PHE A 87 1.588 -20.151 6.696 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.495 -20.997 6.040 1.00 0.00 C ATOM 0 H PHE A 87 -0.987 -16.333 2.601 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.447 -19.145 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.219 -17.420 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.271 -17.024 4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.335 -19.648 2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.250 -18.473 6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.459 -21.466 4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.382 -20.290 7.747 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.987 -21.789 6.586 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.152 -18.181 5.122 1.00 0.00 N ATOM 1395 CA PHE A 88 -3.067 -18.727 6.170 1.00 0.00 C ATOM 1396 C PHE A 88 -4.389 -19.145 5.526 1.00 0.00 C ATOM 1397 O PHE A 88 -5.013 -20.107 5.931 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.340 -17.655 7.230 1.00 0.00 C ATOM 1399 CG PHE A 88 -4.021 -18.295 8.419 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -3.281 -19.089 9.305 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -5.393 -18.099 8.637 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -3.913 -19.685 10.404 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -6.022 -18.694 9.737 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.283 -19.485 10.620 1.00 0.00 C ATOM 0 H PHE A 88 -1.965 -17.180 5.184 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.597 -19.591 6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.406 -17.186 7.539 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.970 -16.868 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.224 -19.241 9.141 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.965 -17.488 7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.344 -20.299 11.086 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.078 -18.542 9.903 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.768 -19.943 11.470 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.827 -18.423 4.531 1.00 0.00 N ATOM 1415 CA GLU A 89 -6.113 -18.766 3.862 1.00 0.00 C ATOM 1416 C GLU A 89 -5.848 -19.768 2.741 1.00 0.00 C ATOM 1417 O GLU A 89 -6.736 -20.114 1.987 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.723 -17.495 3.265 1.00 0.00 C ATOM 1419 CG GLU A 89 -7.039 -16.493 4.376 1.00 0.00 C ATOM 1420 CD GLU A 89 -7.580 -15.202 3.752 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -7.234 -14.923 2.618 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -8.337 -14.514 4.419 1.00 0.00 O ATOM 0 H GLU A 89 -4.347 -17.607 4.151 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.800 -19.201 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.030 -17.051 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.632 -17.741 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.773 -16.914 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.142 -16.282 4.957 1.00 0.00 H new ATOM 1429 N HIS A 90 -4.635 -20.234 2.617 1.00 0.00 N ATOM 1430 CA HIS A 90 -4.328 -21.207 1.533 1.00 0.00 C ATOM 1431 C HIS A 90 -5.301 -22.383 1.616 1.00 0.00 C ATOM 1432 O HIS A 90 -5.133 -23.284 2.414 1.00 0.00 O ATOM 1433 CB HIS A 90 -2.898 -21.722 1.693 1.00 0.00 C ATOM 1434 CG HIS A 90 -2.588 -22.676 0.573 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -3.343 -23.818 0.348 1.00 0.00 N ATOM 1436 CD2 HIS A 90 -1.615 -22.670 -0.395 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -2.816 -24.447 -0.720 1.00 0.00 C ATOM 1438 NE2 HIS A 90 -1.765 -23.788 -1.208 1.00 0.00 N ATOM 0 H HIS A 90 -3.848 -19.984 3.216 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.429 -20.714 0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.195 -20.889 1.682 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.784 -22.222 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.852 -21.914 -0.508 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.197 -25.370 -1.130 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.191 -24.049 -2.010 1.00 0.00 H new ATOM 1447 N GLU A 91 -6.312 -22.386 0.794 1.00 0.00 N ATOM 1448 CA GLU A 91 -7.297 -23.504 0.818 1.00 0.00 C ATOM 1449 C GLU A 91 -6.632 -24.783 0.310 1.00 0.00 C ATOM 1450 O GLU A 91 -6.603 -24.972 -0.896 1.00 0.00 O ATOM 1451 CB GLU A 91 -8.484 -23.152 -0.081 1.00 0.00 C ATOM 1452 CG GLU A 91 -9.544 -24.253 0.004 1.00 0.00 C ATOM 1453 CD GLU A 91 -10.800 -23.793 -0.732 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -10.926 -22.603 -0.957 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -11.617 -24.640 -1.059 1.00 0.00 O ATOM 1456 OXT GLU A 91 -6.159 -25.549 1.133 1.00 0.00 O ATOM 0 H GLU A 91 -6.500 -21.659 0.103 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.646 -23.660 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.913 -22.198 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.149 -23.036 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.165 -25.175 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.777 -24.471 1.046 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 8.931 -1.442 17.027 1.00 0.00 N ATOM 1465 CA MET B 0 10.104 -2.147 16.435 1.00 0.00 C ATOM 1466 C MET B 0 9.878 -2.323 14.932 1.00 0.00 C ATOM 1467 O MET B 0 10.324 -1.522 14.133 1.00 0.00 O ATOM 1468 CB MET B 0 10.263 -3.518 17.100 1.00 0.00 C ATOM 1469 CG MET B 0 11.499 -4.218 16.531 1.00 0.00 C ATOM 1470 SD MET B 0 11.799 -5.755 17.439 1.00 0.00 S ATOM 1471 CE MET B 0 10.827 -6.844 16.371 1.00 0.00 C ATOM 0 H1 MET B 0 9.079 -1.320 18.049 1.00 0.00 H new ATOM 0 H2 MET B 0 8.824 -0.510 16.579 1.00 0.00 H new ATOM 0 H3 MET B 0 8.071 -2.004 16.867 1.00 0.00 H new ATOM 0 HA MET B 0 11.009 -1.562 16.600 1.00 0.00 H new ATOM 0 HB2 MET B 0 10.362 -3.402 18.179 1.00 0.00 H new ATOM 0 HB3 MET B 0 9.375 -4.125 16.925 1.00 0.00 H new ATOM 0 HG2 MET B 0 11.353 -4.432 15.472 1.00 0.00 H new ATOM 0 HG3 MET B 0 12.367 -3.563 16.607 1.00 0.00 H new ATOM 0 HE1 MET B 0 10.873 -7.864 16.753 1.00 0.00 H new ATOM 0 HE2 MET B 0 9.790 -6.509 16.357 1.00 0.00 H new ATOM 0 HE3 MET B 0 11.231 -6.817 15.359 1.00 0.00 H new ATOM 1483 N SER B 1 9.181 -3.358 14.539 1.00 0.00 N ATOM 1484 CA SER B 1 8.919 -3.574 13.088 1.00 0.00 C ATOM 1485 C SER B 1 7.668 -2.785 12.683 1.00 0.00 C ATOM 1486 O SER B 1 6.571 -3.305 12.639 1.00 0.00 O ATOM 1487 CB SER B 1 8.712 -5.062 12.817 1.00 0.00 C ATOM 1488 OG SER B 1 7.889 -5.613 13.838 1.00 0.00 O ATOM 0 H SER B 1 8.783 -4.061 15.161 1.00 0.00 H new ATOM 0 HA SER B 1 9.771 -3.228 12.503 1.00 0.00 H new ATOM 0 HB2 SER B 1 8.247 -5.205 11.842 1.00 0.00 H new ATOM 0 HB3 SER B 1 9.673 -5.576 12.791 1.00 0.00 H new ATOM 0 HG SER B 1 7.499 -6.456 13.525 1.00 0.00 H new ATOM 1494 N GLU B 2 7.841 -1.525 12.381 1.00 0.00 N ATOM 1495 CA GLU B 2 6.677 -0.687 11.971 1.00 0.00 C ATOM 1496 C GLU B 2 5.983 -1.365 10.793 1.00 0.00 C ATOM 1497 O GLU B 2 4.824 -1.128 10.518 1.00 0.00 O ATOM 1498 CB GLU B 2 7.150 0.709 11.558 1.00 0.00 C ATOM 1499 CG GLU B 2 7.562 1.485 12.806 1.00 0.00 C ATOM 1500 CD GLU B 2 8.209 2.811 12.398 1.00 0.00 C ATOM 1501 OE1 GLU B 2 9.270 2.769 11.798 1.00 0.00 O ATOM 1502 OE2 GLU B 2 7.635 3.847 12.699 1.00 0.00 O ATOM 0 H GLU B 2 8.738 -1.040 12.401 1.00 0.00 H new ATOM 0 HA GLU B 2 5.985 -0.584 12.807 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.990 0.633 10.868 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.353 1.236 11.033 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.691 1.672 13.434 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.261 0.895 13.399 1.00 0.00 H new ATOM 1509 N LEU B 3 6.694 -2.202 10.092 1.00 0.00 N ATOM 1510 CA LEU B 3 6.102 -2.903 8.922 1.00 0.00 C ATOM 1511 C LEU B 3 5.159 -4.029 9.392 1.00 0.00 C ATOM 1512 O LEU B 3 4.230 -4.395 8.698 1.00 0.00 O ATOM 1513 CB LEU B 3 7.260 -3.485 8.083 1.00 0.00 C ATOM 1514 CG LEU B 3 7.332 -2.824 6.692 1.00 0.00 C ATOM 1515 CD1 LEU B 3 6.010 -3.050 5.917 1.00 0.00 C ATOM 1516 CD2 LEU B 3 7.621 -1.311 6.836 1.00 0.00 C ATOM 0 H LEU B 3 7.669 -2.432 10.282 1.00 0.00 H new ATOM 0 HA LEU B 3 5.515 -2.208 8.322 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.203 -3.335 8.608 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.125 -4.561 7.970 1.00 0.00 H new ATOM 0 HG LEU B 3 8.144 -3.283 6.128 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.077 -2.577 4.937 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.839 -4.119 5.793 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.182 -2.613 6.475 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.670 -0.854 5.848 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.825 -0.842 7.414 1.00 0.00 H new ATOM 0 HD23 LEU B 3 8.573 -1.169 7.348 1.00 0.00 H new ATOM 1528 N GLU B 4 5.378 -4.573 10.561 1.00 0.00 N ATOM 1529 CA GLU B 4 4.479 -5.659 11.047 1.00 0.00 C ATOM 1530 C GLU B 4 3.175 -5.027 11.526 1.00 0.00 C ATOM 1531 O GLU B 4 2.152 -5.673 11.614 1.00 0.00 O ATOM 1532 CB GLU B 4 5.141 -6.412 12.207 1.00 0.00 C ATOM 1533 CG GLU B 4 4.152 -7.427 12.798 1.00 0.00 C ATOM 1534 CD GLU B 4 4.900 -8.391 13.724 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.108 -8.261 13.830 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.253 -9.243 14.310 1.00 0.00 O ATOM 0 H GLU B 4 6.134 -4.314 11.195 1.00 0.00 H new ATOM 0 HA GLU B 4 4.284 -6.365 10.240 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.037 -6.925 11.856 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.457 -5.708 12.977 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.369 -6.908 13.352 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.662 -7.982 11.998 1.00 0.00 H new ATOM 1543 N LYS B 5 3.211 -3.760 11.835 1.00 0.00 N ATOM 1544 CA LYS B 5 1.980 -3.068 12.307 1.00 0.00 C ATOM 1545 C LYS B 5 1.059 -2.817 11.112 1.00 0.00 C ATOM 1546 O LYS B 5 -0.119 -3.110 11.146 1.00 0.00 O ATOM 1547 CB LYS B 5 2.342 -1.714 12.959 1.00 0.00 C ATOM 1548 CG LYS B 5 3.648 -1.807 13.774 1.00 0.00 C ATOM 1549 CD LYS B 5 3.449 -2.626 15.069 1.00 0.00 C ATOM 1550 CE LYS B 5 4.736 -3.399 15.383 1.00 0.00 C ATOM 1551 NZ LYS B 5 4.559 -4.206 16.631 1.00 0.00 N ATOM 0 H LYS B 5 4.043 -3.173 11.780 1.00 0.00 H new ATOM 0 HA LYS B 5 1.480 -3.695 13.045 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.449 -0.954 12.185 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.528 -1.394 13.610 1.00 0.00 H new ATOM 0 HG2 LYS B 5 4.426 -2.269 13.166 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.994 -0.804 14.026 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.198 -1.963 15.897 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.615 -3.318 14.951 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.988 -4.054 14.549 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.567 -2.704 15.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 5.436 -4.726 16.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 4.339 -3.572 17.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 3.779 -4.881 16.500 1.00 0.00 H new ATOM 1565 N ALA B 6 1.584 -2.247 10.066 1.00 0.00 N ATOM 1566 CA ALA B 6 0.733 -1.945 8.878 1.00 0.00 C ATOM 1567 C ALA B 6 0.198 -3.226 8.244 1.00 0.00 C ATOM 1568 O ALA B 6 -0.992 -3.376 8.042 1.00 0.00 O ATOM 1569 CB ALA B 6 1.556 -1.181 7.838 1.00 0.00 C ATOM 0 H ALA B 6 2.564 -1.976 9.980 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.111 -1.341 9.211 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.933 -0.961 6.971 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.916 -0.248 8.272 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.406 -1.789 7.529 1.00 0.00 H new ATOM 1575 N MET B 7 1.059 -4.140 7.904 1.00 0.00 N ATOM 1576 CA MET B 7 0.580 -5.389 7.252 1.00 0.00 C ATOM 1577 C MET B 7 -0.519 -6.044 8.093 1.00 0.00 C ATOM 1578 O MET B 7 -1.447 -6.613 7.562 1.00 0.00 O ATOM 1579 CB MET B 7 1.736 -6.387 7.083 1.00 0.00 C ATOM 1580 CG MET B 7 2.778 -5.870 6.067 1.00 0.00 C ATOM 1581 SD MET B 7 3.488 -7.283 5.171 1.00 0.00 S ATOM 1582 CE MET B 7 5.244 -6.947 5.457 1.00 0.00 C ATOM 0 H MET B 7 2.067 -4.079 8.047 1.00 0.00 H new ATOM 0 HA MET B 7 0.182 -5.123 6.273 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.217 -6.557 8.046 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.344 -7.348 6.749 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.309 -5.178 5.367 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.564 -5.318 6.583 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.823 -7.851 5.268 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.577 -6.156 4.785 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.391 -6.632 6.490 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.422 -5.989 9.394 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.476 -6.638 10.235 1.00 0.00 C ATOM 1594 C VAL B 8 -2.730 -5.764 10.250 1.00 0.00 C ATOM 1595 O VAL B 8 -3.841 -6.250 10.161 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.947 -6.825 11.661 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.078 -7.304 12.581 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.181 -7.864 11.651 1.00 0.00 C ATOM 0 H VAL B 8 0.330 -5.530 9.908 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.729 -7.613 9.818 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.567 -5.873 12.031 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.694 -7.434 13.593 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.878 -6.564 12.590 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.467 -8.254 12.215 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.560 -8.000 12.664 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.202 -8.813 11.277 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.988 -7.519 11.005 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.555 -4.482 10.371 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.729 -3.566 10.400 1.00 0.00 C ATOM 1610 C ALA B 9 -4.496 -3.645 9.078 1.00 0.00 C ATOM 1611 O ALA B 9 -5.702 -3.502 9.044 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.251 -2.132 10.610 1.00 0.00 C ATOM 0 H ALA B 9 -1.647 -4.025 10.452 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.386 -3.865 11.216 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.110 -1.462 10.631 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.713 -2.063 11.555 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.588 -1.846 9.793 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.815 -3.851 7.982 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.535 -3.914 6.675 1.00 0.00 C ATOM 1620 C LEU B 10 -5.221 -5.281 6.521 1.00 0.00 C ATOM 1621 O LEU B 10 -6.356 -5.362 6.116 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.533 -3.682 5.520 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.533 -2.205 5.100 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -3.039 -1.334 6.261 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -2.610 -2.026 3.896 1.00 0.00 C ATOM 0 H LEU B 10 -2.804 -3.977 7.934 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.298 -3.136 6.644 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.532 -3.977 5.834 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.798 -4.309 4.669 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.546 -1.903 4.835 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.041 -0.287 5.957 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.698 -1.464 7.119 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.026 -1.631 6.533 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.606 -0.979 3.593 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.598 -2.330 4.165 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.966 -2.641 3.070 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.542 -6.348 6.826 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.156 -7.700 6.674 1.00 0.00 C ATOM 1639 C ILE B 11 -6.573 -7.699 7.265 1.00 0.00 C ATOM 1640 O ILE B 11 -7.474 -8.323 6.740 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.289 -8.739 7.411 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.966 -8.963 6.635 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -5.057 -10.064 7.551 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -3.132 -10.035 5.548 1.00 0.00 C ATOM 0 H ILE B 11 -3.584 -6.345 7.176 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.212 -7.955 5.616 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.055 -8.366 8.408 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.646 -8.026 6.179 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.181 -9.264 7.329 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.435 -10.791 8.073 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.973 -9.896 8.118 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.308 -10.445 6.561 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -2.187 -10.169 5.022 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -3.428 -10.978 6.009 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -3.900 -9.720 4.841 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.779 -7.013 8.355 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.138 -6.995 8.969 1.00 0.00 C ATOM 1658 C ASP B 12 -9.088 -6.128 8.134 1.00 0.00 C ATOM 1659 O ASP B 12 -10.154 -6.565 7.752 1.00 0.00 O ATOM 1660 CB ASP B 12 -8.040 -6.444 10.392 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.122 -7.349 11.215 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -5.975 -7.505 10.827 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -7.579 -7.874 12.216 1.00 0.00 O ATOM 0 H ASP B 12 -6.071 -6.467 8.845 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.533 -8.010 8.997 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.649 -5.427 10.376 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -9.030 -6.398 10.847 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.711 -4.915 7.835 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.600 -4.043 7.013 1.00 0.00 C ATOM 1670 C VAL B 13 -9.597 -4.559 5.572 1.00 0.00 C ATOM 1671 O VAL B 13 -10.541 -4.373 4.828 1.00 0.00 O ATOM 1672 CB VAL B 13 -9.103 -2.591 7.064 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -10.197 -1.652 6.549 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.773 -2.226 8.513 1.00 0.00 C ATOM 0 H VAL B 13 -7.829 -4.490 8.123 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.616 -4.070 7.407 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.215 -2.490 6.441 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.840 -0.623 6.587 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.445 -1.912 5.520 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.085 -1.751 7.173 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.419 -1.196 8.557 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.668 -2.329 9.127 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.997 -2.893 8.888 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.538 -5.209 5.175 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.472 -5.743 3.785 1.00 0.00 C ATOM 1686 C PHE B 14 -9.426 -6.938 3.643 1.00 0.00 C ATOM 1687 O PHE B 14 -10.201 -7.017 2.713 1.00 0.00 O ATOM 1688 CB PHE B 14 -7.035 -6.184 3.481 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.994 -6.973 2.188 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.413 -6.376 0.996 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.532 -8.299 2.182 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.370 -7.095 -0.204 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -6.495 -9.020 0.980 1.00 0.00 C ATOM 1694 CZ PHE B 14 -6.911 -8.415 -0.211 1.00 0.00 C ATOM 0 H PHE B 14 -7.717 -5.393 5.751 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.770 -4.967 3.080 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.387 -5.311 3.404 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.653 -6.793 4.300 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -7.771 -5.357 1.001 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -6.206 -8.763 3.101 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -7.691 -6.630 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -6.146 -10.042 0.974 1.00 0.00 H new ATOM 0 HZ PHE B 14 -6.877 -8.969 -1.137 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.357 -7.879 4.547 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.240 -9.080 4.447 1.00 0.00 C ATOM 1706 C HIS B 15 -11.662 -8.753 4.924 1.00 0.00 C ATOM 1707 O HIS B 15 -12.621 -9.336 4.460 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.652 -10.205 5.313 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.142 -11.546 4.833 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.505 -12.551 5.715 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.325 -12.070 3.574 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.884 -13.615 4.983 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.793 -13.374 3.673 1.00 0.00 N ATOM 0 H HIS B 15 -8.728 -7.869 5.350 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.292 -9.395 3.405 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.563 -10.173 5.273 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.937 -10.058 6.355 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -10.488 -12.495 6.733 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -10.134 -11.547 2.649 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -11.221 -14.551 5.404 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.812 -7.846 5.849 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.179 -7.514 6.349 1.00 0.00 C ATOM 1723 C GLN B 16 -13.995 -6.836 5.243 1.00 0.00 C ATOM 1724 O GLN B 16 -15.169 -7.110 5.068 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.058 -6.581 7.556 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.580 -7.379 8.776 1.00 0.00 C ATOM 1727 CD GLN B 16 -13.748 -8.169 9.370 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -14.817 -7.632 9.574 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -13.588 -9.432 9.654 1.00 0.00 N ATOM 0 H GLN B 16 -11.051 -7.321 6.280 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.690 -8.430 6.645 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.356 -5.776 7.337 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.021 -6.116 7.767 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.779 -8.059 8.486 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.168 -6.703 9.525 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.690 -9.883 9.483 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -14.361 -9.968 10.047 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.389 -5.969 4.481 1.00 0.00 N ATOM 1739 CA TYR B 17 -14.144 -5.294 3.385 1.00 0.00 C ATOM 1740 C TYR B 17 -14.245 -6.239 2.194 1.00 0.00 C ATOM 1741 O TYR B 17 -15.321 -6.515 1.704 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.430 -3.993 2.986 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.901 -2.873 3.884 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.334 -2.707 5.152 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.913 -2.007 3.452 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.778 -1.677 5.986 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.353 -0.977 4.287 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.787 -0.814 5.552 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.224 0.203 6.371 1.00 0.00 O ATOM 0 H TYR B 17 -12.409 -5.699 4.567 1.00 0.00 H new ATOM 0 HA TYR B 17 -15.148 -5.043 3.726 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.350 -4.115 3.073 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.641 -3.753 1.944 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.554 -3.374 5.486 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.353 -2.135 2.474 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.341 -1.548 6.965 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.131 -0.307 3.953 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.472 0.544 6.899 1.00 0.00 H new ATOM 1759 N SER B 18 -13.147 -6.764 1.731 1.00 0.00 N ATOM 1760 CA SER B 18 -13.236 -7.706 0.591 1.00 0.00 C ATOM 1761 C SER B 18 -14.186 -8.827 0.996 1.00 0.00 C ATOM 1762 O SER B 18 -14.845 -9.429 0.176 1.00 0.00 O ATOM 1763 CB SER B 18 -11.863 -8.294 0.272 1.00 0.00 C ATOM 1764 OG SER B 18 -10.927 -7.244 0.082 1.00 0.00 O ATOM 0 H SER B 18 -12.208 -6.584 2.087 1.00 0.00 H new ATOM 0 HA SER B 18 -13.597 -7.186 -0.296 1.00 0.00 H new ATOM 0 HB2 SER B 18 -11.537 -8.943 1.085 1.00 0.00 H new ATOM 0 HB3 SER B 18 -11.920 -8.911 -0.625 1.00 0.00 H new ATOM 0 HG SER B 18 -10.544 -6.987 0.947 1.00 0.00 H new ATOM 1770 N GLY B 19 -14.262 -9.101 2.271 1.00 0.00 N ATOM 1771 CA GLY B 19 -15.172 -10.177 2.759 1.00 0.00 C ATOM 1772 C GLY B 19 -16.561 -9.591 3.023 1.00 0.00 C ATOM 1773 O GLY B 19 -17.460 -10.285 3.448 1.00 0.00 O ATOM 0 H GLY B 19 -13.730 -8.623 2.999 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -15.237 -10.976 2.020 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -14.773 -10.619 3.672 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.752 -8.321 2.765 1.00 0.00 N ATOM 1778 CA ARG B 20 -18.094 -7.720 2.996 1.00 0.00 C ATOM 1779 C ARG B 20 -19.077 -8.324 2.001 1.00 0.00 C ATOM 1780 O ARG B 20 -20.138 -8.784 2.370 1.00 0.00 O ATOM 1781 CB ARG B 20 -18.020 -6.198 2.802 1.00 0.00 C ATOM 1782 CG ARG B 20 -19.399 -5.557 3.028 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.327 -4.057 2.723 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.497 -3.369 3.335 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.842 -2.183 2.915 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -20.140 -1.594 1.983 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -21.884 -1.582 3.424 1.00 0.00 N ATOM 0 H ARG B 20 -16.041 -7.682 2.408 1.00 0.00 H new ATOM 0 HA ARG B 20 -18.426 -7.927 4.013 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -17.296 -5.772 3.497 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.668 -5.971 1.796 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -20.141 -6.033 2.387 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.719 -5.714 4.058 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.400 -3.639 3.116 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.319 -3.894 1.645 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.026 -3.823 4.079 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -19.325 -2.062 1.586 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -20.407 -0.667 1.653 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.431 -2.040 4.153 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -22.150 -0.655 3.093 1.00 0.00 H new ATOM 1801 N GLU B 21 -18.733 -8.335 0.741 1.00 0.00 N ATOM 1802 CA GLU B 21 -19.667 -8.921 -0.271 1.00 0.00 C ATOM 1803 C GLU B 21 -18.917 -9.302 -1.552 1.00 0.00 C ATOM 1804 O GLU B 21 -17.886 -8.743 -1.878 1.00 0.00 O ATOM 1805 CB GLU B 21 -20.755 -7.900 -0.608 1.00 0.00 C ATOM 1806 CG GLU B 21 -20.133 -6.707 -1.341 1.00 0.00 C ATOM 1807 CD GLU B 21 -21.105 -5.529 -1.324 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -22.160 -5.662 -0.727 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.777 -4.511 -1.910 1.00 0.00 O ATOM 0 H GLU B 21 -17.857 -7.969 0.369 1.00 0.00 H new ATOM 0 HA GLU B 21 -20.114 -9.821 0.151 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -21.521 -8.362 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -21.246 -7.563 0.305 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.195 -6.424 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -19.898 -6.982 -2.369 1.00 0.00 H new ATOM 1816 N GLY B 22 -19.448 -10.242 -2.284 1.00 0.00 N ATOM 1817 CA GLY B 22 -18.804 -10.672 -3.560 1.00 0.00 C ATOM 1818 C GLY B 22 -17.412 -11.250 -3.299 1.00 0.00 C ATOM 1819 O GLY B 22 -17.213 -12.037 -2.395 1.00 0.00 O ATOM 0 H GLY B 22 -20.309 -10.736 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -19.426 -11.419 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -18.728 -9.822 -4.239 1.00 0.00 H new ATOM 1823 N ASP B 23 -16.453 -10.865 -4.105 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.060 -11.375 -3.953 1.00 0.00 C ATOM 1825 C ASP B 23 -14.683 -11.455 -2.476 1.00 0.00 C ATOM 1826 O ASP B 23 -15.268 -10.795 -1.646 1.00 0.00 O ATOM 1827 CB ASP B 23 -14.103 -10.418 -4.665 1.00 0.00 C ATOM 1828 CG ASP B 23 -14.192 -10.629 -6.179 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -13.682 -11.630 -6.646 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -14.769 -9.788 -6.846 1.00 0.00 O ATOM 0 H ASP B 23 -16.582 -10.207 -4.874 1.00 0.00 H new ATOM 0 HA ASP B 23 -14.993 -12.372 -4.389 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.353 -9.387 -4.417 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.082 -10.589 -4.324 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.707 -12.267 -2.147 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.274 -12.407 -0.721 1.00 0.00 C ATOM 1837 C LYS B 24 -11.999 -11.586 -0.472 1.00 0.00 C ATOM 1838 O LYS B 24 -11.705 -11.228 0.651 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.000 -13.898 -0.430 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.379 -14.240 1.019 1.00 0.00 C ATOM 1841 CD LYS B 24 -12.697 -15.546 1.434 1.00 0.00 C ATOM 1842 CE LYS B 24 -13.324 -16.080 2.726 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.097 -15.110 3.838 1.00 0.00 N ATOM 0 H LYS B 24 -13.188 -12.843 -2.810 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.060 -12.037 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.572 -14.520 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.946 -14.120 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -13.076 -13.432 1.685 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -14.461 -14.338 1.109 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -12.796 -16.286 0.640 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.630 -15.378 1.581 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -14.393 -16.240 2.583 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -12.888 -17.046 2.980 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -12.615 -15.590 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -12.507 -14.324 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -14.011 -14.739 4.167 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.223 -11.302 -1.495 1.00 0.00 N ATOM 1858 CA HIS B 25 -9.954 -10.521 -1.290 1.00 0.00 C ATOM 1859 C HIS B 25 -9.818 -9.425 -2.349 1.00 0.00 C ATOM 1860 O HIS B 25 -8.726 -9.059 -2.738 1.00 0.00 O ATOM 1861 CB HIS B 25 -8.754 -11.473 -1.371 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.083 -12.763 -0.672 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.110 -12.870 0.711 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -9.388 -14.016 -1.149 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.419 -14.144 1.016 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -9.598 -14.880 -0.079 1.00 0.00 N ATOM 0 H HIS B 25 -11.411 -11.575 -2.459 1.00 0.00 H new ATOM 0 HA HIS B 25 -9.985 -10.049 -0.308 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.501 -11.667 -2.413 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -7.880 -11.012 -0.911 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.454 -14.287 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.510 -14.522 2.023 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.839 -15.870 -0.124 1.00 0.00 H new ATOM 1874 N LYS B 26 -10.917 -8.873 -2.790 1.00 0.00 N ATOM 1875 CA LYS B 26 -10.877 -7.767 -3.788 1.00 0.00 C ATOM 1876 C LYS B 26 -11.851 -6.703 -3.312 1.00 0.00 C ATOM 1877 O LYS B 26 -12.854 -7.013 -2.701 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.305 -8.283 -5.167 1.00 0.00 C ATOM 1879 CG LYS B 26 -10.983 -7.228 -6.265 1.00 0.00 C ATOM 1880 CD LYS B 26 -9.965 -7.796 -7.271 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.578 -8.986 -8.041 1.00 0.00 C ATOM 1882 NZ LYS B 26 -9.671 -10.164 -7.928 1.00 0.00 N ATOM 0 H LYS B 26 -11.854 -9.147 -2.496 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.868 -7.364 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -10.789 -9.217 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.373 -8.501 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.898 -6.943 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.584 -6.324 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.663 -7.018 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.066 -8.118 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.561 -9.229 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.721 -8.722 -9.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.080 -10.968 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.743 -9.928 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.556 -10.419 -6.926 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.567 -5.453 -3.563 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.492 -4.374 -3.087 1.00 0.00 C ATOM 1898 C LEU B 27 -13.384 -3.883 -4.226 1.00 0.00 C ATOM 1899 O LEU B 27 -12.956 -3.628 -5.335 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.686 -3.189 -2.517 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.293 -3.459 -1.045 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.083 -4.394 -0.991 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -10.951 -2.138 -0.361 1.00 0.00 C ATOM 0 H LEU B 27 -10.744 -5.131 -4.072 1.00 0.00 H new ATOM 0 HA LEU B 27 -13.121 -4.793 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.789 -3.030 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.277 -2.276 -2.580 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.130 -3.931 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -9.812 -4.579 0.049 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -10.331 -5.338 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.242 -3.931 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -10.674 -2.326 0.676 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -10.117 -1.665 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.818 -1.478 -0.391 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.629 -3.715 -3.899 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.633 -3.196 -4.871 1.00 0.00 C ATOM 1917 C LYS B 28 -15.972 -1.762 -4.477 1.00 0.00 C ATOM 1918 O LYS B 28 -15.763 -1.370 -3.349 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.889 -4.064 -4.820 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.476 -5.540 -4.858 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.679 -6.411 -5.234 1.00 0.00 C ATOM 1922 CE LYS B 28 -17.215 -7.834 -5.560 1.00 0.00 C ATOM 1923 NZ LYS B 28 -16.076 -7.785 -6.526 1.00 0.00 N ATOM 0 H LYS B 28 -15.007 -3.920 -2.974 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.234 -3.222 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.455 -3.854 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.541 -3.833 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.673 -5.683 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.087 -5.843 -3.886 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -18.394 -6.432 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.194 -5.982 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.908 -8.345 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.039 -8.407 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.908 -8.736 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.306 -7.131 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.220 -7.454 -6.037 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.473 -0.970 -5.386 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.808 0.448 -5.035 1.00 0.00 C ATOM 1939 C LYS B 29 -17.521 0.484 -3.677 1.00 0.00 C ATOM 1940 O LYS B 29 -17.149 1.225 -2.788 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.723 1.049 -6.108 1.00 0.00 C ATOM 1942 CG LYS B 29 -16.967 1.170 -7.447 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.594 2.275 -8.302 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.030 1.894 -8.672 1.00 0.00 C ATOM 1945 NZ LYS B 29 -19.054 0.505 -9.215 1.00 0.00 N ATOM 0 H LYS B 29 -16.665 -1.237 -6.351 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.888 1.030 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.606 0.422 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.073 2.031 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.916 1.393 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.002 0.221 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.588 3.218 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.004 2.427 -9.206 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.673 1.964 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.423 2.591 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.939 0.353 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.245 0.368 -9.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.995 -0.175 -8.431 1.00 0.00 H new ATOM 1959 N SER B 30 -18.532 -0.320 -3.515 1.00 0.00 N ATOM 1960 CA SER B 30 -19.261 -0.349 -2.213 1.00 0.00 C ATOM 1961 C SER B 30 -18.250 -0.464 -1.065 1.00 0.00 C ATOM 1962 O SER B 30 -18.553 -0.190 0.075 1.00 0.00 O ATOM 1963 CB SER B 30 -20.201 -1.554 -2.177 1.00 0.00 C ATOM 1964 OG SER B 30 -20.909 -1.633 -3.408 1.00 0.00 O ATOM 0 H SER B 30 -18.887 -0.959 -4.226 1.00 0.00 H new ATOM 0 HA SER B 30 -19.840 0.568 -2.104 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.632 -2.469 -2.012 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.901 -1.459 -1.347 1.00 0.00 H new ATOM 0 HG SER B 30 -21.512 -2.406 -3.390 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.040 -0.846 -1.371 1.00 0.00 N ATOM 1971 CA GLU B 31 -15.988 -0.969 -0.315 1.00 0.00 C ATOM 1972 C GLU B 31 -15.108 0.268 -0.351 1.00 0.00 C ATOM 1973 O GLU B 31 -14.690 0.759 0.667 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.141 -2.217 -0.577 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.076 -3.416 -0.764 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.272 -4.717 -0.734 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.244 -4.741 -0.079 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.703 -5.668 -1.365 1.00 0.00 O ATOM 0 H GLU B 31 -16.730 -1.081 -2.314 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.455 -1.058 0.666 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.525 -2.076 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.462 -2.394 0.257 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.829 -3.426 0.024 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.607 -3.329 -1.712 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.828 0.783 -1.511 1.00 0.00 N ATOM 1986 CA LEU B 32 -13.967 1.995 -1.584 1.00 0.00 C ATOM 1987 C LEU B 32 -14.722 3.200 -1.032 1.00 0.00 C ATOM 1988 O LEU B 32 -14.230 3.908 -0.183 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.533 2.236 -3.054 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.099 2.779 -3.102 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.634 2.923 -4.560 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.052 4.141 -2.413 1.00 0.00 C ATOM 0 H LEU B 32 -15.154 0.422 -2.407 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.072 1.847 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.596 1.304 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.213 2.942 -3.530 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.436 2.083 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.615 3.309 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.663 1.949 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.294 3.613 -5.086 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.034 4.530 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.721 4.832 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.367 4.035 -1.375 1.00 0.00 H new ATOM 2004 N LYS B 33 -15.904 3.438 -1.494 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.664 4.603 -0.981 1.00 0.00 C ATOM 2006 C LYS B 33 -17.090 4.341 0.474 1.00 0.00 C ATOM 2007 O LYS B 33 -17.127 5.241 1.288 1.00 0.00 O ATOM 2008 CB LYS B 33 -17.884 4.830 -1.889 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.857 5.850 -1.249 1.00 0.00 C ATOM 2010 CD LYS B 33 -19.991 5.104 -0.513 1.00 0.00 C ATOM 2011 CE LYS B 33 -20.514 5.948 0.644 1.00 0.00 C ATOM 2012 NZ LYS B 33 -21.828 5.405 1.081 1.00 0.00 N ATOM 0 H LYS B 33 -16.380 2.881 -2.203 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.045 5.500 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.557 5.193 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.399 3.884 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.318 6.491 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -19.276 6.498 -2.019 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.802 4.884 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -19.624 4.148 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -19.806 5.933 1.472 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -20.620 6.988 0.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -22.194 5.974 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -22.500 5.441 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -21.711 4.419 1.390 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.420 3.119 0.803 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.851 2.825 2.208 1.00 0.00 C ATOM 2028 C GLU B 34 -16.636 2.768 3.126 1.00 0.00 C ATOM 2029 O GLU B 34 -16.708 3.113 4.289 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.590 1.490 2.277 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.271 1.348 3.646 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.529 2.216 3.685 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -21.314 2.129 2.757 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.686 2.955 4.642 1.00 0.00 O ATOM 0 H GLU B 34 -17.411 2.319 0.170 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.521 3.622 2.531 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.334 1.433 1.482 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.892 0.668 2.120 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -19.531 0.305 3.828 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -18.585 1.648 4.438 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.516 2.356 2.614 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.301 2.302 3.462 1.00 0.00 C ATOM 2043 C LEU B 35 -13.873 3.738 3.755 1.00 0.00 C ATOM 2044 O LEU B 35 -13.446 4.078 4.838 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.188 1.577 2.692 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.839 1.743 3.404 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.953 1.288 4.857 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.791 0.891 2.700 1.00 0.00 C ATOM 0 H LEU B 35 -15.389 2.055 1.648 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.497 1.769 4.392 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.430 0.518 2.604 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.122 1.974 1.679 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.550 2.794 3.376 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.990 1.410 5.353 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.704 1.890 5.369 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.247 0.239 4.888 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.831 1.006 3.203 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.093 -0.156 2.730 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.698 1.212 1.663 1.00 0.00 H new ATOM 2060 N ILE B 36 -13.986 4.575 2.768 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.588 5.996 2.920 1.00 0.00 C ATOM 2062 C ILE B 36 -14.460 6.675 3.987 1.00 0.00 C ATOM 2063 O ILE B 36 -13.973 7.413 4.823 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.759 6.699 1.560 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.606 6.295 0.634 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.754 8.219 1.746 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.874 6.797 -0.789 1.00 0.00 C ATOM 0 H ILE B 36 -14.344 4.329 1.845 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.548 6.061 3.239 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.710 6.400 1.120 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.669 6.711 1.004 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.495 5.211 0.631 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.876 8.704 0.778 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.575 8.508 2.402 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.808 8.528 2.191 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.049 6.505 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.801 6.360 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.963 7.883 -0.781 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.744 6.449 3.946 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.664 7.092 4.933 1.00 0.00 C ATOM 2081 C ASN B 37 -16.672 6.333 6.266 1.00 0.00 C ATOM 2082 O ASN B 37 -17.043 6.877 7.287 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.077 7.119 4.348 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.058 7.691 5.375 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -18.694 8.520 6.186 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -20.297 7.282 5.376 1.00 0.00 N ATOM 0 H ASN B 37 -16.201 5.842 3.266 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.314 8.106 5.127 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.093 7.724 3.442 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.381 6.112 4.064 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -20.958 7.658 6.056 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.605 6.586 4.696 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.317 5.074 6.273 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.369 4.306 7.559 1.00 0.00 C ATOM 2095 C ASN B 38 -15.083 4.492 8.380 1.00 0.00 C ATOM 2096 O ASN B 38 -15.143 4.715 9.573 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.550 2.819 7.247 1.00 0.00 C ATOM 2098 CG ASN B 38 -16.571 2.022 8.550 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -16.798 2.641 9.672 1.00 0.00 O flip ATOM 2100 ND2 ASN B 38 -16.380 0.822 8.548 1.00 0.00 N flip ATOM 0 H ASN B 38 -15.998 4.549 5.459 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.207 4.682 8.146 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.479 2.662 6.698 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.739 2.470 6.608 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -16.202 0.335 7.669 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -16.398 0.301 9.425 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.925 4.392 7.773 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.645 4.557 8.550 1.00 0.00 C ATOM 2109 C GLU B 39 -12.031 5.916 8.232 1.00 0.00 C ATOM 2110 O GLU B 39 -11.846 6.740 9.107 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.656 3.454 8.155 1.00 0.00 C ATOM 2112 CG GLU B 39 -11.947 2.177 8.943 1.00 0.00 C ATOM 2113 CD GLU B 39 -13.423 1.812 8.808 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -13.828 1.476 7.709 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -14.124 1.875 9.804 1.00 0.00 O ATOM 0 H GLU B 39 -13.806 4.204 6.778 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.860 4.489 9.616 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.730 3.255 7.086 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.635 3.784 8.348 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -11.326 1.361 8.574 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.693 2.321 9.993 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.702 6.158 6.996 1.00 0.00 N ATOM 2123 CA LEU B 40 -11.092 7.470 6.657 1.00 0.00 C ATOM 2124 C LEU B 40 -12.179 8.548 6.671 1.00 0.00 C ATOM 2125 O LEU B 40 -12.145 9.489 5.902 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.434 7.410 5.274 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.363 6.295 5.183 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -8.439 6.333 6.406 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -10.001 4.895 5.070 1.00 0.00 C ATOM 0 H LEU B 40 -11.827 5.514 6.215 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.326 7.711 7.394 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.199 7.239 4.517 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.974 8.372 5.051 1.00 0.00 H new ATOM 0 HG LEU B 40 -8.783 6.483 4.279 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.693 5.542 6.323 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.938 7.300 6.454 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -9.027 6.184 7.311 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -9.216 4.141 5.008 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -10.619 4.705 5.948 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -10.620 4.848 4.174 1.00 0.00 H new ATOM 2141 N SER B 41 -13.133 8.434 7.561 1.00 0.00 N ATOM 2142 CA SER B 41 -14.201 9.468 7.645 1.00 0.00 C ATOM 2143 C SER B 41 -13.641 10.695 8.373 1.00 0.00 C ATOM 2144 O SER B 41 -14.163 11.789 8.268 1.00 0.00 O ATOM 2145 CB SER B 41 -15.400 8.902 8.426 1.00 0.00 C ATOM 2146 OG SER B 41 -15.463 9.501 9.718 1.00 0.00 O ATOM 0 H SER B 41 -13.216 7.669 8.231 1.00 0.00 H new ATOM 0 HA SER B 41 -14.529 9.751 6.645 1.00 0.00 H new ATOM 0 HB2 SER B 41 -16.324 9.094 7.881 1.00 0.00 H new ATOM 0 HB3 SER B 41 -15.305 7.820 8.521 1.00 0.00 H new ATOM 0 HG SER B 41 -16.229 9.138 10.210 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.575 10.519 9.116 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.968 11.663 9.858 1.00 0.00 C ATOM 2154 C HIS B 42 -10.778 12.201 9.059 1.00 0.00 C ATOM 2155 O HIS B 42 -10.344 13.321 9.245 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.491 11.173 11.229 1.00 0.00 C ATOM 2157 CG HIS B 42 -12.687 10.824 12.070 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.892 9.547 12.580 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -13.753 11.575 12.496 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -14.044 9.572 13.278 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -14.604 10.783 13.257 1.00 0.00 N ATOM 0 H HIS B 42 -12.098 9.626 9.239 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.704 12.456 9.992 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.846 10.302 11.113 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.899 11.946 11.719 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -13.907 12.621 12.274 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -14.462 8.718 13.791 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -15.475 11.068 13.706 1.00 0.00 H new ATOM 2170 N PHE B 43 -10.254 11.409 8.159 1.00 0.00 N ATOM 2171 CA PHE B 43 -9.096 11.855 7.328 1.00 0.00 C ATOM 2172 C PHE B 43 -9.605 12.222 5.939 1.00 0.00 C ATOM 2173 O PHE B 43 -9.408 13.322 5.463 1.00 0.00 O ATOM 2174 CB PHE B 43 -8.084 10.716 7.199 1.00 0.00 C ATOM 2175 CG PHE B 43 -7.509 10.391 8.554 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -8.145 9.462 9.384 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -6.333 11.017 8.979 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -7.606 9.163 10.639 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -5.793 10.717 10.233 1.00 0.00 C ATOM 2180 CZ PHE B 43 -6.430 9.790 11.063 1.00 0.00 C ATOM 0 H PHE B 43 -10.582 10.463 7.963 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.617 12.714 7.798 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.566 9.834 6.777 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.286 11.002 6.514 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.052 8.976 9.056 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.841 11.733 8.337 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -8.098 8.448 11.281 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.885 11.201 10.560 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.014 9.558 12.032 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.277 11.311 5.285 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.814 11.614 3.930 1.00 0.00 C ATOM 2192 C LEU B 44 -12.224 12.174 4.072 1.00 0.00 C ATOM 2193 O LEU B 44 -13.066 11.600 4.734 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.890 10.336 3.092 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.490 9.860 2.672 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -9.621 8.519 1.940 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -8.832 10.890 1.736 1.00 0.00 C ATOM 0 H LEU B 44 -10.476 10.373 5.632 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.156 12.333 3.442 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.387 9.552 3.664 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.497 10.516 2.205 1.00 0.00 H new ATOM 0 HG LEU B 44 -8.868 9.746 3.560 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.633 8.172 1.637 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -10.076 7.785 2.605 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -10.247 8.646 1.057 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.841 10.539 1.447 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.446 11.016 0.844 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -8.742 11.846 2.253 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.495 13.281 3.446 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.855 13.861 3.534 1.00 0.00 C ATOM 2211 C GLU B 45 -14.865 12.779 3.140 1.00 0.00 C ATOM 2212 O GLU B 45 -14.638 12.015 2.225 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.952 15.047 2.571 1.00 0.00 C ATOM 2214 CG GLU B 45 -13.242 14.690 1.268 1.00 0.00 C ATOM 2215 CD GLU B 45 -13.615 15.706 0.190 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -14.790 16.019 0.080 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -12.722 16.155 -0.506 1.00 0.00 O ATOM 0 H GLU B 45 -11.832 13.808 2.878 1.00 0.00 H new ATOM 0 HA GLU B 45 -14.064 14.207 4.546 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -14.997 15.289 2.376 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.498 15.932 3.017 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.163 14.684 1.419 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -13.525 13.686 0.950 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.968 12.693 3.825 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.968 11.642 3.481 1.00 0.00 C ATOM 2226 C GLU B 46 -17.561 11.928 2.092 1.00 0.00 C ATOM 2227 O GLU B 46 -18.356 12.828 1.919 1.00 0.00 O ATOM 2228 CB GLU B 46 -18.079 11.634 4.540 1.00 0.00 C ATOM 2229 CG GLU B 46 -18.420 13.075 4.945 1.00 0.00 C ATOM 2230 CD GLU B 46 -19.779 13.103 5.651 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -20.763 12.770 5.009 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -19.812 13.461 6.816 1.00 0.00 O ATOM 0 H GLU B 46 -16.222 13.300 4.604 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.484 10.665 3.462 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.966 11.137 4.146 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.757 11.067 5.414 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.648 13.470 5.605 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -18.444 13.715 4.063 1.00 0.00 H new ATOM 2239 N ILE B 47 -17.184 11.165 1.097 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.740 11.409 -0.265 1.00 0.00 C ATOM 2241 C ILE B 47 -19.212 10.985 -0.300 1.00 0.00 C ATOM 2242 O ILE B 47 -19.574 9.933 0.184 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.945 10.618 -1.322 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -17.260 9.114 -1.217 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.443 10.836 -1.119 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.299 8.312 -2.104 1.00 0.00 C ATOM 0 H ILE B 47 -16.522 10.392 1.169 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.660 12.472 -0.493 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.235 10.976 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.170 8.787 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -18.290 8.928 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.889 10.273 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.213 11.897 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -15.157 10.493 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.530 7.250 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.410 8.629 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.273 8.486 -1.779 1.00 0.00 H new ATOM 2258 N LYS B 48 -20.060 11.797 -0.883 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.511 11.452 -0.977 1.00 0.00 C ATOM 2260 C LYS B 48 -21.803 10.992 -2.404 1.00 0.00 C ATOM 2261 O LYS B 48 -22.806 10.361 -2.679 1.00 0.00 O ATOM 2262 CB LYS B 48 -22.355 12.687 -0.661 1.00 0.00 C ATOM 2263 CG LYS B 48 -22.053 13.161 0.762 1.00 0.00 C ATOM 2264 CD LYS B 48 -23.156 14.120 1.229 1.00 0.00 C ATOM 2265 CE LYS B 48 -23.270 15.293 0.249 1.00 0.00 C ATOM 2266 NZ LYS B 48 -24.066 14.873 -0.938 1.00 0.00 N ATOM 0 H LYS B 48 -19.805 12.692 -1.301 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.755 10.663 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -22.137 13.482 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -23.415 12.452 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -21.991 12.306 1.436 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -21.085 13.661 0.792 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -24.108 13.592 1.292 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -22.930 14.490 2.229 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -23.746 16.143 0.737 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.277 15.619 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -23.434 14.755 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -24.542 13.971 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -24.779 15.599 -1.153 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.915 11.309 -3.310 1.00 0.00 N ATOM 2281 CA GLU B 49 -21.086 10.907 -4.738 1.00 0.00 C ATOM 2282 C GLU B 49 -19.921 9.999 -5.121 1.00 0.00 C ATOM 2283 O GLU B 49 -18.787 10.243 -4.757 1.00 0.00 O ATOM 2284 CB GLU B 49 -21.077 12.153 -5.631 1.00 0.00 C ATOM 2285 CG GLU B 49 -22.340 12.983 -5.386 1.00 0.00 C ATOM 2286 CD GLU B 49 -22.297 14.246 -6.255 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -22.389 14.117 -7.467 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -22.174 15.321 -5.691 1.00 0.00 O ATOM 0 H GLU B 49 -20.065 11.838 -3.117 1.00 0.00 H new ATOM 0 HA GLU B 49 -22.034 10.385 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -20.191 12.753 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -21.023 11.859 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -23.226 12.395 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -22.411 13.255 -4.333 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.184 8.951 -5.843 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.086 8.029 -6.239 1.00 0.00 C ATOM 2297 C GLN B 50 -18.281 8.650 -7.384 1.00 0.00 C ATOM 2298 O GLN B 50 -17.198 8.206 -7.702 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.690 6.695 -6.698 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.815 6.955 -7.711 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.069 5.695 -8.546 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.830 4.833 -8.151 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -20.457 5.549 -9.691 1.00 0.00 N ATOM 0 H GLN B 50 -21.112 8.691 -6.177 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.426 7.859 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -18.918 6.072 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.080 6.147 -5.840 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.727 7.245 -7.188 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -20.544 7.785 -8.363 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -19.818 6.271 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -20.618 4.713 -10.252 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.806 9.664 -8.019 1.00 0.00 N ATOM 2313 CA GLU B 51 -18.080 10.292 -9.154 1.00 0.00 C ATOM 2314 C GLU B 51 -16.626 10.539 -8.777 1.00 0.00 C ATOM 2315 O GLU B 51 -15.740 10.420 -9.599 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.755 11.609 -9.537 1.00 0.00 C ATOM 2317 CG GLU B 51 -18.164 12.135 -10.848 1.00 0.00 C ATOM 2318 CD GLU B 51 -18.677 13.554 -11.100 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -19.796 13.834 -10.707 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -17.940 14.334 -11.678 1.00 0.00 O ATOM 0 H GLU B 51 -19.709 10.083 -7.798 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.108 9.616 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.829 11.459 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.615 12.344 -8.744 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -17.075 12.133 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -18.445 11.482 -11.675 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.349 10.859 -7.549 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.925 11.072 -7.173 1.00 0.00 C ATOM 2329 C VAL B 52 -14.282 9.708 -7.023 1.00 0.00 C ATOM 2330 O VAL B 52 -13.150 9.495 -7.414 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.825 11.872 -5.872 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.516 13.226 -6.055 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.510 11.103 -4.739 1.00 0.00 C ATOM 0 H VAL B 52 -17.030 10.981 -6.800 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.409 11.647 -7.942 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.775 12.025 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.446 13.798 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -15.029 13.777 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -16.565 13.068 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.437 11.676 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.560 10.948 -4.987 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -15.022 10.137 -4.607 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.003 8.767 -6.494 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.439 7.404 -6.359 1.00 0.00 C ATOM 2345 C VAL B 53 -14.235 6.880 -7.780 1.00 0.00 C ATOM 2346 O VAL B 53 -13.414 6.024 -8.037 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.400 6.527 -5.503 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.179 5.515 -6.357 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.604 5.761 -4.443 1.00 0.00 C ATOM 0 H VAL B 53 -15.956 8.883 -6.150 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.482 7.388 -5.837 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.115 7.203 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.835 4.927 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.776 6.047 -7.097 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.479 4.852 -6.865 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.283 5.150 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -13.872 5.118 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.089 6.468 -3.793 1.00 0.00 H new ATOM 2359 N ASP B 54 -14.974 7.424 -8.708 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.827 7.009 -10.124 1.00 0.00 C ATOM 2361 C ASP B 54 -13.576 7.692 -10.669 1.00 0.00 C ATOM 2362 O ASP B 54 -12.866 7.156 -11.495 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.059 7.459 -10.915 1.00 0.00 C ATOM 2364 CG ASP B 54 -15.940 7.002 -12.369 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -16.258 5.856 -12.638 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -15.530 7.806 -13.190 1.00 0.00 O ATOM 0 H ASP B 54 -15.677 8.143 -8.540 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.738 5.926 -10.210 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.961 7.043 -10.467 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.153 8.544 -10.872 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.301 8.879 -10.187 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.090 9.622 -10.647 1.00 0.00 C ATOM 2373 C LYS B 55 -10.854 9.038 -9.956 1.00 0.00 C ATOM 2374 O LYS B 55 -9.916 8.614 -10.600 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.240 11.105 -10.281 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.922 11.884 -10.553 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.212 12.206 -9.230 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.788 12.697 -9.503 1.00 0.00 C ATOM 2379 NZ LYS B 55 -8.782 13.603 -10.687 1.00 0.00 N ATOM 0 H LYS B 55 -13.867 9.366 -9.492 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.980 9.527 -11.727 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -13.052 11.545 -10.859 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.511 11.198 -9.229 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.266 11.292 -11.191 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.141 12.807 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.769 12.968 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.184 11.318 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.402 13.223 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.129 11.847 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -7.923 14.189 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.799 13.036 -11.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.620 14.218 -10.658 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.852 8.994 -8.647 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.680 8.417 -7.926 1.00 0.00 C ATOM 2395 C VAL B 56 -9.345 7.067 -8.564 1.00 0.00 C ATOM 2396 O VAL B 56 -8.200 6.742 -8.805 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.011 8.249 -6.424 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.762 6.935 -6.167 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.719 8.245 -5.607 1.00 0.00 C ATOM 0 H VAL B 56 -11.608 9.331 -8.051 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.820 9.082 -8.004 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.645 9.084 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -10.982 6.843 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.694 6.932 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.144 6.095 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -8.957 8.126 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.086 7.419 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.191 9.187 -5.756 1.00 0.00 H new ATOM 2409 N MET B 57 -10.352 6.295 -8.859 1.00 0.00 N ATOM 2410 CA MET B 57 -10.115 4.979 -9.507 1.00 0.00 C ATOM 2411 C MET B 57 -9.411 5.211 -10.843 1.00 0.00 C ATOM 2412 O MET B 57 -8.649 4.392 -11.312 1.00 0.00 O ATOM 2413 CB MET B 57 -11.461 4.293 -9.747 1.00 0.00 C ATOM 2414 CG MET B 57 -12.007 3.746 -8.423 1.00 0.00 C ATOM 2415 SD MET B 57 -11.258 2.128 -8.095 1.00 0.00 S ATOM 2416 CE MET B 57 -12.772 1.136 -8.137 1.00 0.00 C ATOM 0 H MET B 57 -11.330 6.520 -8.679 1.00 0.00 H new ATOM 0 HA MET B 57 -9.495 4.348 -8.870 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.169 5.001 -10.178 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.343 3.482 -10.466 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.782 4.436 -7.610 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.092 3.655 -8.473 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.513 0.077 -8.150 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.373 1.351 -7.253 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.343 1.381 -9.033 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.655 6.332 -11.457 1.00 0.00 N ATOM 2427 CA GLU B 58 -8.991 6.623 -12.754 1.00 0.00 C ATOM 2428 C GLU B 58 -7.500 6.802 -12.504 1.00 0.00 C ATOM 2429 O GLU B 58 -6.673 6.386 -13.289 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.567 7.911 -13.348 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.182 8.012 -14.826 1.00 0.00 C ATOM 2432 CD GLU B 58 -10.003 7.008 -15.639 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -11.176 7.271 -15.861 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -9.444 5.994 -16.026 1.00 0.00 O ATOM 0 H GLU B 58 -10.285 7.059 -11.117 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.159 5.803 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.652 7.918 -13.243 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.188 8.776 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.361 9.024 -15.191 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.118 7.812 -14.950 1.00 0.00 H new ATOM 2441 N THR B 59 -7.154 7.420 -11.411 1.00 0.00 N ATOM 2442 CA THR B 59 -5.718 7.629 -11.105 1.00 0.00 C ATOM 2443 C THR B 59 -5.129 6.340 -10.549 1.00 0.00 C ATOM 2444 O THR B 59 -3.947 6.090 -10.681 1.00 0.00 O ATOM 2445 CB THR B 59 -5.560 8.747 -10.073 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.169 9.932 -10.562 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.074 8.998 -9.828 1.00 0.00 C ATOM 0 H THR B 59 -7.805 7.789 -10.718 1.00 0.00 H new ATOM 0 HA THR B 59 -5.194 7.910 -12.018 1.00 0.00 H new ATOM 0 HB THR B 59 -6.040 8.455 -9.139 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.069 10.648 -9.900 1.00 0.00 H new ATOM 0 HG21 THR B 59 -3.956 9.794 -9.093 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.608 8.087 -9.454 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.596 9.293 -10.762 1.00 0.00 H new ATOM 2455 N LEU B 60 -5.935 5.514 -9.916 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.390 4.234 -9.342 1.00 0.00 C ATOM 2457 C LEU B 60 -5.655 3.047 -10.281 1.00 0.00 C ATOM 2458 O LEU B 60 -4.778 2.237 -10.500 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.032 3.960 -7.971 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.226 4.631 -6.848 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -3.821 3.988 -6.709 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.085 6.133 -7.134 1.00 0.00 C ATOM 0 H LEU B 60 -6.933 5.667 -9.773 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.312 4.347 -9.227 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.056 4.333 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.083 2.885 -7.796 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.762 4.487 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.272 4.482 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -3.927 2.928 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.275 4.101 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.513 6.603 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.568 6.276 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.074 6.588 -7.188 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.826 2.909 -10.843 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.068 1.745 -11.755 1.00 0.00 C ATOM 2476 C ASP B 61 -6.036 1.736 -12.873 1.00 0.00 C ATOM 2477 O ASP B 61 -6.140 2.452 -13.851 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.479 1.846 -12.344 1.00 0.00 C ATOM 2479 CG ASP B 61 -8.895 0.489 -12.922 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.111 -0.440 -12.828 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -9.996 0.400 -13.443 1.00 0.00 O ATOM 0 H ASP B 61 -7.617 3.540 -10.715 1.00 0.00 H new ATOM 0 HA ASP B 61 -6.978 0.818 -11.189 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.184 2.155 -11.573 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.505 2.608 -13.123 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.040 0.907 -12.730 1.00 0.00 N ATOM 2487 CA GLU B 62 -3.982 0.810 -13.773 1.00 0.00 C ATOM 2488 C GLU B 62 -4.397 -0.262 -14.765 1.00 0.00 C ATOM 2489 O GLU B 62 -4.275 -0.102 -15.963 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.637 0.449 -13.129 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.058 1.692 -12.441 1.00 0.00 C ATOM 2492 CD GLU B 62 -0.869 1.296 -11.565 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -1.096 0.674 -10.543 1.00 0.00 O ATOM 2494 OE2 GLU B 62 0.247 1.632 -11.926 1.00 0.00 O ATOM 0 H GLU B 62 -4.913 0.288 -11.929 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.865 1.766 -14.283 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.771 -0.354 -12.404 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -1.944 0.082 -13.886 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -1.743 2.419 -13.190 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -2.825 2.172 -11.833 1.00 0.00 H new ATOM 2501 N ASP B 63 -4.914 -1.347 -14.274 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.369 -2.421 -15.186 1.00 0.00 C ATOM 2503 C ASP B 63 -6.705 -1.997 -15.799 1.00 0.00 C ATOM 2504 O ASP B 63 -7.253 -2.680 -16.640 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.559 -3.719 -14.387 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.090 -3.379 -12.994 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -6.731 -2.350 -12.861 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -5.847 -4.152 -12.084 1.00 0.00 O ATOM 0 H ASP B 63 -5.041 -1.536 -13.280 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.632 -2.589 -15.972 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.256 -4.379 -14.904 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.612 -4.253 -14.308 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.240 -0.873 -15.386 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.541 -0.435 -15.963 1.00 0.00 C ATOM 2515 C GLY B 64 -9.580 -1.517 -15.679 1.00 0.00 C ATOM 2516 O GLY B 64 -10.349 -1.893 -16.540 1.00 0.00 O ATOM 0 H GLY B 64 -6.837 -0.251 -14.685 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.851 0.513 -15.524 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.445 -0.273 -17.037 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.596 -2.036 -14.475 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.574 -3.117 -14.132 1.00 0.00 C ATOM 2522 C ASP B 65 -11.758 -2.528 -13.373 1.00 0.00 C ATOM 2523 O ASP B 65 -12.719 -3.211 -13.083 1.00 0.00 O ATOM 2524 CB ASP B 65 -9.887 -4.162 -13.254 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.138 -3.460 -12.120 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.358 -2.274 -11.933 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -8.358 -4.122 -11.456 1.00 0.00 O ATOM 0 H ASP B 65 -8.975 -1.758 -13.715 1.00 0.00 H new ATOM 0 HA ASP B 65 -10.930 -3.580 -15.052 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -10.625 -4.851 -12.845 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.193 -4.755 -13.850 1.00 0.00 H new ATOM 2532 N GLY B 66 -11.707 -1.269 -13.046 1.00 0.00 N ATOM 2533 CA GLY B 66 -12.850 -0.663 -12.307 1.00 0.00 C ATOM 2534 C GLY B 66 -12.903 -1.259 -10.905 1.00 0.00 C ATOM 2535 O GLY B 66 -13.758 -0.927 -10.106 1.00 0.00 O ATOM 0 H GLY B 66 -10.933 -0.638 -13.255 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.732 0.419 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -13.784 -0.856 -12.834 1.00 0.00 H new ATOM 2539 N GLU B 67 -11.980 -2.133 -10.603 1.00 0.00 N ATOM 2540 CA GLU B 67 -11.924 -2.769 -9.253 1.00 0.00 C ATOM 2541 C GLU B 67 -10.560 -2.438 -8.653 1.00 0.00 C ATOM 2542 O GLU B 67 -9.726 -1.850 -9.314 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.075 -4.286 -9.395 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.474 -4.612 -9.928 1.00 0.00 C ATOM 2545 CD GLU B 67 -13.654 -6.129 -10.023 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.190 -6.701 -10.998 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.256 -6.690 -9.124 1.00 0.00 O ATOM 0 H GLU B 67 -11.250 -2.439 -11.246 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.726 -2.400 -8.614 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.316 -4.676 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -11.920 -4.770 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.232 -4.188 -9.269 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.614 -4.158 -10.909 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.322 -2.785 -7.413 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.997 -2.462 -6.779 1.00 0.00 C ATOM 2556 C CYS B 68 -8.373 -3.708 -6.157 1.00 0.00 C ATOM 2557 O CYS B 68 -8.608 -4.013 -5.002 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.196 -1.417 -5.676 1.00 0.00 C ATOM 2559 SG CYS B 68 -10.206 -0.060 -6.306 1.00 0.00 S ATOM 0 H CYS B 68 -10.982 -3.276 -6.810 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.335 -2.078 -7.555 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.679 -1.873 -4.812 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.230 -1.040 -5.339 1.00 0.00 H new ATOM 0 HG CYS B 68 -9.765 0.303 -7.474 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.585 -4.437 -6.902 1.00 0.00 N ATOM 2566 CA ASP B 69 -6.947 -5.654 -6.324 1.00 0.00 C ATOM 2567 C ASP B 69 -6.230 -5.259 -5.030 1.00 0.00 C ATOM 2568 O ASP B 69 -6.323 -4.133 -4.584 1.00 0.00 O ATOM 2569 CB ASP B 69 -5.952 -6.245 -7.331 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.649 -6.417 -8.682 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -7.490 -7.294 -8.786 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.334 -5.668 -9.590 1.00 0.00 O ATOM 0 H ASP B 69 -7.357 -4.244 -7.877 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.702 -6.409 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.088 -5.589 -7.435 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.582 -7.206 -6.974 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.519 -6.158 -4.414 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.827 -5.799 -3.143 1.00 0.00 C ATOM 2579 C PHE B 70 -3.613 -4.893 -3.405 1.00 0.00 C ATOM 2580 O PHE B 70 -3.248 -4.083 -2.577 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.352 -7.084 -2.443 1.00 0.00 C ATOM 2582 CG PHE B 70 -3.973 -8.129 -3.475 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -2.771 -8.018 -4.185 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -4.829 -9.214 -3.718 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -2.425 -8.984 -5.134 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -4.482 -10.181 -4.669 1.00 0.00 C ATOM 2587 CZ PHE B 70 -3.279 -10.065 -5.378 1.00 0.00 C ATOM 0 H PHE B 70 -5.386 -7.119 -4.730 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.532 -5.258 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.496 -6.865 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.141 -7.469 -1.797 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.110 -7.184 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -5.756 -9.303 -3.171 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -1.497 -8.896 -5.680 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.141 -11.016 -4.856 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.011 -10.810 -6.113 1.00 0.00 H new ATOM 2597 N GLN B 71 -2.963 -5.046 -4.523 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.753 -4.222 -4.800 1.00 0.00 C ATOM 2599 C GLN B 71 -2.146 -2.801 -5.182 1.00 0.00 C ATOM 2600 O GLN B 71 -1.436 -1.853 -4.901 1.00 0.00 O ATOM 2601 CB GLN B 71 -0.924 -4.872 -5.916 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.782 -5.134 -7.164 1.00 0.00 C ATOM 2603 CD GLN B 71 -1.877 -3.868 -8.017 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -1.269 -2.863 -7.704 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -2.617 -3.877 -9.093 1.00 0.00 N ATOM 0 H GLN B 71 -3.216 -5.706 -5.258 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.147 -4.172 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.087 -4.224 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.501 -5.811 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.347 -5.944 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.780 -5.456 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -3.127 -4.721 -9.354 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -2.685 -3.040 -9.672 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.275 -2.624 -5.798 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.700 -1.248 -6.176 1.00 0.00 C ATOM 2616 C GLU B 72 -4.515 -0.644 -5.025 1.00 0.00 C ATOM 2617 O GLU B 72 -4.380 0.518 -4.697 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.526 -1.345 -7.462 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.357 -0.077 -7.681 1.00 0.00 C ATOM 2620 CD GLU B 72 -6.054 -0.177 -9.034 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.361 -0.331 -10.028 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -7.273 -0.111 -9.055 1.00 0.00 O ATOM 0 H GLU B 72 -3.923 -3.368 -6.057 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.843 -0.599 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.863 -1.500 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -5.186 -2.211 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -6.092 0.035 -6.884 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.717 0.805 -7.650 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.352 -1.426 -4.408 1.00 0.00 N ATOM 2630 CA PHE B 73 -6.162 -0.902 -3.272 1.00 0.00 C ATOM 2631 C PHE B 73 -5.211 -0.378 -2.204 1.00 0.00 C ATOM 2632 O PHE B 73 -5.455 0.621 -1.559 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.993 -2.038 -2.674 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.520 -1.677 -1.295 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.914 -0.359 -0.982 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.634 -2.683 -0.329 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.415 -0.069 0.291 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -8.141 -2.388 0.939 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.530 -1.085 1.245 1.00 0.00 C ATOM 0 H PHE B 73 -5.512 -2.406 -4.640 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.823 -0.108 -3.621 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.829 -2.266 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.384 -2.940 -2.607 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.829 0.423 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.329 -3.692 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.713 0.939 0.537 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.231 -3.168 1.681 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.923 -0.859 2.225 1.00 0.00 H new ATOM 2649 N MET B 74 -4.135 -1.069 -2.002 1.00 0.00 N ATOM 2650 CA MET B 74 -3.162 -0.644 -0.976 1.00 0.00 C ATOM 2651 C MET B 74 -2.346 0.520 -1.520 1.00 0.00 C ATOM 2652 O MET B 74 -1.752 1.279 -0.783 1.00 0.00 O ATOM 2653 CB MET B 74 -2.268 -1.833 -0.630 1.00 0.00 C ATOM 2654 CG MET B 74 -1.279 -1.450 0.475 1.00 0.00 C ATOM 2655 SD MET B 74 -0.895 -2.909 1.475 1.00 0.00 S ATOM 2656 CE MET B 74 0.369 -2.125 2.495 1.00 0.00 C ATOM 0 H MET B 74 -3.886 -1.918 -2.509 1.00 0.00 H new ATOM 0 HA MET B 74 -3.669 -0.313 -0.070 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.880 -2.674 -0.304 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.725 -2.159 -1.517 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.366 -1.046 0.037 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.704 -0.667 1.103 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.674 -2.810 3.286 1.00 0.00 H new ATOM 0 HE2 MET B 74 1.232 -1.876 1.877 1.00 0.00 H new ATOM 0 HE3 MET B 74 -0.034 -1.215 2.939 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.385 0.708 -2.805 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.683 1.876 -3.397 1.00 0.00 C ATOM 2668 C ALA B 75 -2.567 3.098 -3.166 1.00 0.00 C ATOM 2669 O ALA B 75 -2.115 4.226 -3.176 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.475 1.655 -4.898 1.00 0.00 C ATOM 0 H ALA B 75 -2.871 0.106 -3.470 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.704 2.014 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -0.960 2.516 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.875 0.759 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.442 1.533 -5.385 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.840 2.866 -2.969 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.779 4.001 -2.748 1.00 0.00 C ATOM 2678 C PHE B 76 -4.545 4.595 -1.357 1.00 0.00 C ATOM 2679 O PHE B 76 -4.382 5.786 -1.211 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.231 3.514 -2.891 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.195 4.524 -2.297 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.103 5.882 -2.645 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.182 4.101 -1.394 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -7.992 6.807 -2.090 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.072 5.028 -0.842 1.00 0.00 C ATOM 2686 CZ PHE B 76 -8.976 6.382 -1.189 1.00 0.00 C ATOM 0 H PHE B 76 -4.267 1.940 -2.952 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.599 4.774 -3.495 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.465 3.356 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.349 2.553 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.346 6.211 -3.341 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.255 3.058 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.920 7.851 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.833 4.700 -0.149 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.662 7.099 -0.761 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.501 3.788 -0.334 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.255 4.357 1.019 1.00 0.00 C ATOM 2698 C VAL B 77 -2.931 5.108 0.977 1.00 0.00 C ATOM 2699 O VAL B 77 -2.740 6.111 1.639 1.00 0.00 O ATOM 2700 CB VAL B 77 -4.182 3.234 2.055 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.644 3.790 3.375 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.581 2.668 2.285 1.00 0.00 C ATOM 0 H VAL B 77 -4.622 2.776 -0.374 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.066 5.029 1.299 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.520 2.448 1.692 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.592 2.989 4.113 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.648 4.203 3.217 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.308 4.575 3.737 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.533 1.867 3.023 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.238 3.458 2.649 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.973 2.274 1.347 1.00 0.00 H new ATOM 2712 N SER B 78 -2.022 4.627 0.182 1.00 0.00 N ATOM 2713 CA SER B 78 -0.704 5.291 0.050 1.00 0.00 C ATOM 2714 C SER B 78 -0.938 6.675 -0.544 1.00 0.00 C ATOM 2715 O SER B 78 -0.329 7.651 -0.162 1.00 0.00 O ATOM 2716 CB SER B 78 0.167 4.458 -0.895 1.00 0.00 C ATOM 2717 OG SER B 78 -0.288 3.115 -0.863 1.00 0.00 O ATOM 0 H SER B 78 -2.140 3.790 -0.389 1.00 0.00 H new ATOM 0 HA SER B 78 -0.205 5.379 1.015 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.110 4.853 -1.909 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.212 4.511 -0.591 1.00 0.00 H new ATOM 0 HG SER B 78 -0.550 2.880 0.052 1.00 0.00 H new ATOM 2723 N MET B 79 -1.858 6.751 -1.461 1.00 0.00 N ATOM 2724 CA MET B 79 -2.197 8.048 -2.085 1.00 0.00 C ATOM 2725 C MET B 79 -2.851 8.917 -1.024 1.00 0.00 C ATOM 2726 O MET B 79 -2.784 10.129 -1.062 1.00 0.00 O ATOM 2727 CB MET B 79 -3.185 7.814 -3.231 1.00 0.00 C ATOM 2728 CG MET B 79 -3.427 9.118 -4.018 1.00 0.00 C ATOM 2729 SD MET B 79 -5.138 9.146 -4.619 1.00 0.00 S ATOM 2730 CE MET B 79 -4.817 9.923 -6.219 1.00 0.00 C ATOM 0 H MET B 79 -2.395 5.956 -1.807 1.00 0.00 H new ATOM 0 HA MET B 79 -1.303 8.532 -2.478 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.798 7.046 -3.901 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.130 7.443 -2.833 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.239 9.982 -3.380 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.734 9.184 -4.856 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.755 10.036 -6.763 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.367 10.903 -6.064 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.136 9.298 -6.797 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.462 8.288 -0.063 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.111 9.034 1.037 1.00 0.00 C ATOM 2742 C VAL B 80 -3.038 9.317 2.055 1.00 0.00 C ATOM 2743 O VAL B 80 -3.007 10.352 2.689 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.198 8.176 1.690 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.894 8.982 2.789 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.229 7.738 0.645 1.00 0.00 C ATOM 0 H VAL B 80 -3.538 7.273 0.004 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.571 9.948 0.663 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.735 7.289 2.122 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.668 8.371 3.254 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.163 9.277 3.542 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.347 9.873 2.355 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.996 7.129 1.123 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.691 8.618 0.199 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -5.735 7.155 -0.132 1.00 0.00 H new ATOM 2756 N THR B 81 -2.141 8.391 2.209 1.00 0.00 N ATOM 2757 CA THR B 81 -1.046 8.595 3.177 1.00 0.00 C ATOM 2758 C THR B 81 -0.103 9.637 2.611 1.00 0.00 C ATOM 2759 O THR B 81 0.467 10.428 3.336 1.00 0.00 O ATOM 2760 CB THR B 81 -0.280 7.285 3.393 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.199 6.233 3.648 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.686 7.427 4.578 1.00 0.00 C ATOM 0 H THR B 81 -2.122 7.504 1.706 1.00 0.00 H new ATOM 0 HA THR B 81 -1.455 8.923 4.133 1.00 0.00 H new ATOM 0 HB THR B 81 0.294 7.056 2.495 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.061 6.611 3.922 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.225 6.491 4.722 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.397 8.227 4.374 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.122 7.664 5.480 1.00 0.00 H new ATOM 2770 N THR B 82 0.103 9.634 1.317 1.00 0.00 N ATOM 2771 CA THR B 82 1.048 10.612 0.718 1.00 0.00 C ATOM 2772 C THR B 82 0.522 12.037 0.865 1.00 0.00 C ATOM 2773 O THR B 82 1.273 12.945 1.166 1.00 0.00 O ATOM 2774 CB THR B 82 1.234 10.261 -0.753 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.038 10.137 -1.369 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.000 8.928 -0.867 1.00 0.00 C ATOM 0 H THR B 82 -0.343 8.997 0.656 1.00 0.00 H new ATOM 0 HA THR B 82 2.005 10.562 1.237 1.00 0.00 H new ATOM 0 HB THR B 82 1.802 11.047 -1.251 1.00 0.00 H new ATOM 0 HG1 THR B 82 0.066 10.168 -2.343 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.134 8.674 -1.919 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.975 9.027 -0.390 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.433 8.139 -0.373 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.753 12.258 0.683 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.281 13.636 0.848 1.00 0.00 C ATOM 2786 C ALA B 83 -1.006 14.072 2.282 1.00 0.00 C ATOM 2787 O ALA B 83 -0.809 15.238 2.568 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.790 13.647 0.587 1.00 0.00 C ATOM 0 H ALA B 83 -1.442 11.550 0.430 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.801 14.315 0.143 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.173 14.660 0.709 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.986 13.305 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.287 12.984 1.295 1.00 0.00 H new ATOM 2794 N CYS B 84 -0.990 13.132 3.188 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.725 13.481 4.613 1.00 0.00 C ATOM 2796 C CYS B 84 0.772 13.728 4.801 1.00 0.00 C ATOM 2797 O CYS B 84 1.185 14.388 5.733 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.168 12.326 5.516 1.00 0.00 C ATOM 2799 SG CYS B 84 -2.976 12.257 5.582 1.00 0.00 S ATOM 0 H CYS B 84 -1.148 12.141 3.004 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.282 14.380 4.878 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -0.773 11.384 5.137 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.763 12.461 6.519 1.00 0.00 H new ATOM 0 HG CYS B 84 -3.421 11.568 4.573 1.00 0.00 H new ATOM 2805 N HIS B 85 1.593 13.209 3.920 1.00 0.00 N ATOM 2806 CA HIS B 85 3.063 13.425 4.049 1.00 0.00 C ATOM 2807 C HIS B 85 3.443 14.728 3.343 1.00 0.00 C ATOM 2808 O HIS B 85 4.301 15.460 3.796 1.00 0.00 O ATOM 2809 CB HIS B 85 3.820 12.259 3.399 1.00 0.00 C ATOM 2810 CG HIS B 85 5.251 12.255 3.870 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.595 12.201 5.215 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.439 12.304 3.185 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.937 12.220 5.292 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.502 12.282 4.082 1.00 0.00 N ATOM 0 H HIS B 85 1.306 12.646 3.119 1.00 0.00 H new ATOM 0 HA HIS B 85 3.328 13.483 5.105 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.340 11.314 3.655 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.785 12.351 2.313 1.00 0.00 H new ATOM 0 HD1 HIS B 85 4.947 12.155 6.001 1.00 0.00 H new ATOM 0 HD2 HIS B 85 6.534 12.352 2.110 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.491 12.189 6.218 1.00 0.00 H new ATOM 2822 N GLU B 86 2.807 15.025 2.237 1.00 0.00 N ATOM 2823 CA GLU B 86 3.140 16.283 1.509 1.00 0.00 C ATOM 2824 C GLU B 86 2.484 17.473 2.222 1.00 0.00 C ATOM 2825 O GLU B 86 2.938 18.596 2.126 1.00 0.00 O ATOM 2826 CB GLU B 86 2.636 16.186 0.058 1.00 0.00 C ATOM 2827 CG GLU B 86 1.108 16.423 -0.013 1.00 0.00 C ATOM 2828 CD GLU B 86 0.814 17.922 -0.207 1.00 0.00 C ATOM 2829 OE1 GLU B 86 1.502 18.544 -1.000 1.00 0.00 O ATOM 2830 OE2 GLU B 86 -0.091 18.421 0.446 1.00 0.00 O ATOM 0 H GLU B 86 2.077 14.454 1.811 1.00 0.00 H new ATOM 0 HA GLU B 86 4.220 16.428 1.498 1.00 0.00 H new ATOM 0 HB2 GLU B 86 3.151 16.921 -0.560 1.00 0.00 H new ATOM 0 HB3 GLU B 86 2.875 15.204 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU B 86 0.681 15.851 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU B 86 0.634 16.067 0.902 1.00 0.00 H new ATOM 2837 N PHE B 87 1.419 17.229 2.937 1.00 0.00 N ATOM 2838 CA PHE B 87 0.725 18.335 3.664 1.00 0.00 C ATOM 2839 C PHE B 87 1.651 18.914 4.731 1.00 0.00 C ATOM 2840 O PHE B 87 1.913 20.100 4.760 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.532 17.781 4.334 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.224 18.868 5.127 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -2.143 19.715 4.496 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -0.956 19.019 6.492 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -2.795 20.716 5.230 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -1.608 20.020 7.225 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.529 20.868 6.593 1.00 0.00 C ATOM 0 H PHE B 87 0.997 16.307 3.050 1.00 0.00 H new ATOM 0 HA PHE B 87 0.455 19.120 2.958 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.210 17.384 3.579 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.267 16.953 4.992 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -2.350 19.597 3.443 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -0.248 18.365 6.980 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -3.503 21.369 4.742 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -1.401 20.138 8.278 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.032 21.638 7.159 1.00 0.00 H new ATOM 2857 N PHE B 88 2.145 18.093 5.614 1.00 0.00 N ATOM 2858 CA PHE B 88 3.053 18.610 6.682 1.00 0.00 C ATOM 2859 C PHE B 88 4.387 19.033 6.065 1.00 0.00 C ATOM 2860 O PHE B 88 5.019 19.973 6.506 1.00 0.00 O ATOM 2861 CB PHE B 88 3.304 17.513 7.718 1.00 0.00 C ATOM 2862 CG PHE B 88 3.989 18.110 8.929 1.00 0.00 C ATOM 2863 CD1 PHE B 88 3.256 18.884 9.837 1.00 0.00 C ATOM 2864 CD2 PHE B 88 5.353 17.891 9.145 1.00 0.00 C ATOM 2865 CE1 PHE B 88 3.888 19.434 10.960 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.984 18.442 10.266 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.253 19.213 11.172 1.00 0.00 C ATOM 0 H PHE B 88 1.962 17.090 5.645 1.00 0.00 H new ATOM 0 HA PHE B 88 2.585 19.469 7.163 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.361 17.052 8.011 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.923 16.726 7.288 1.00 0.00 H new ATOM 0 HD1 PHE B 88 2.203 19.057 9.672 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.921 17.295 8.445 1.00 0.00 H new ATOM 0 HE1 PHE B 88 3.322 20.028 11.662 1.00 0.00 H new ATOM 0 HE2 PHE B 88 7.038 18.271 10.431 1.00 0.00 H new ATOM 0 HZ PHE B 88 5.741 19.639 12.036 1.00 0.00 H new ATOM 2877 N GLU B 89 4.821 18.342 5.048 1.00 0.00 N ATOM 2878 CA GLU B 89 6.113 18.697 4.393 1.00 0.00 C ATOM 2879 C GLU B 89 5.863 19.741 3.306 1.00 0.00 C ATOM 2880 O GLU B 89 6.762 20.129 2.586 1.00 0.00 O ATOM 2881 CB GLU B 89 6.712 17.442 3.759 1.00 0.00 C ATOM 2882 CG GLU B 89 7.060 16.425 4.846 1.00 0.00 C ATOM 2883 CD GLU B 89 7.590 15.143 4.197 1.00 0.00 C ATOM 2884 OE1 GLU B 89 7.247 14.897 3.054 1.00 0.00 O ATOM 2885 OE2 GLU B 89 8.329 14.430 4.857 1.00 0.00 O ATOM 0 H GLU B 89 4.335 17.543 4.640 1.00 0.00 H new ATOM 0 HA GLU B 89 6.801 19.103 5.134 1.00 0.00 H new ATOM 0 HB2 GLU B 89 6.003 17.006 3.055 1.00 0.00 H new ATOM 0 HB3 GLU B 89 7.606 17.702 3.192 1.00 0.00 H new ATOM 0 HG2 GLU B 89 7.809 16.840 5.520 1.00 0.00 H new ATOM 0 HG3 GLU B 89 6.178 16.203 5.447 1.00 0.00 H new ATOM 2892 N HIS B 90 4.649 20.189 3.169 1.00 0.00 N ATOM 2893 CA HIS B 90 4.353 21.198 2.116 1.00 0.00 C ATOM 2894 C HIS B 90 5.319 22.378 2.251 1.00 0.00 C ATOM 2895 O HIS B 90 5.140 23.252 3.072 1.00 0.00 O ATOM 2896 CB HIS B 90 2.917 21.696 2.276 1.00 0.00 C ATOM 2897 CG HIS B 90 2.616 22.695 1.196 1.00 0.00 C ATOM 2898 ND1 HIS B 90 3.339 23.874 1.059 1.00 0.00 N ATOM 2899 CD2 HIS B 90 1.677 22.711 0.196 1.00 0.00 C ATOM 2900 CE1 HIS B 90 2.822 24.543 0.014 1.00 0.00 C ATOM 2901 NE2 HIS B 90 1.811 23.879 -0.543 1.00 0.00 N ATOM 0 H HIS B 90 3.852 19.903 3.737 1.00 0.00 H new ATOM 0 HA HIS B 90 4.473 20.741 1.134 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.221 20.859 2.218 1.00 0.00 H new ATOM 0 HB3 HIS B 90 2.785 22.153 3.257 1.00 0.00 H new ATOM 0 HD1 HIS B 90 4.118 24.176 1.644 1.00 0.00 H new ATOM 0 HD2 HIS B 90 0.947 21.936 0.012 1.00 0.00 H new ATOM 0 HE1 HIS B 90 3.182 25.501 -0.331 1.00 0.00 H new ATOM 2910 N GLU B 91 6.340 22.407 1.439 1.00 0.00 N ATOM 2911 CA GLU B 91 7.319 23.528 1.502 1.00 0.00 C ATOM 2912 C GLU B 91 6.653 24.816 1.014 1.00 0.00 C ATOM 2913 O GLU B 91 6.625 25.029 -0.188 1.00 0.00 O ATOM 2914 CB GLU B 91 8.515 23.195 0.612 1.00 0.00 C ATOM 2915 CG GLU B 91 9.563 24.308 0.702 1.00 0.00 C ATOM 2916 CD GLU B 91 10.832 23.857 -0.017 1.00 0.00 C ATOM 2917 OE1 GLU B 91 10.964 22.666 -0.252 1.00 0.00 O ATOM 2918 OE2 GLU B 91 11.649 24.707 -0.325 1.00 0.00 O ATOM 2919 OXT GLU B 91 6.177 25.563 1.850 1.00 0.00 O ATOM 0 H GLU B 91 6.539 21.699 0.732 1.00 0.00 H new ATOM 0 HA GLU B 91 7.656 23.668 2.529 1.00 0.00 H new ATOM 0 HB2 GLU B 91 8.954 22.246 0.919 1.00 0.00 H new ATOM 0 HB3 GLU B 91 8.188 23.075 -0.421 1.00 0.00 H new ATOM 0 HG2 GLU B 91 9.180 25.223 0.250 1.00 0.00 H new ATOM 0 HG3 GLU B 91 9.782 24.535 1.745 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 14.561 8.085 -1.532 1.00 0.00 CA HETATM 2928 CA CA A 93 7.560 1.803 -10.312 1.00 0.00 CA HETATM 2929 ZN ZN A 94 9.018 13.107 3.135 1.00 0.00 ZN HETATM 2930 CA CA B 92 -15.020 -8.239 -2.269 1.00 0.00 CA HETATM 2931 CA CA B 93 -7.662 -1.621 -10.913 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -9.040 -13.193 2.716 1.00 0.00 ZN