USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 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 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 184 NAG O6 : rot -82:sc= 0.822 USER MOD Set 1.2: A 185 GAL O2 : rot -60:sc= -1.72! USER MOD Set 2.1: A 183 NAG O6 : rot 180:sc= 0.0957 USER MOD Set 2.2: A 186 GAL O2 : rot -1:sc= 0.316 USER MOD Set 3.1: A 179 NAG O3 : rot -99:sc= 0.415 USER MOD Set 3.2: A 182 MAN O4 : rot 35:sc= 0.867 USER MOD Set 4.1: A 85 SER OG : rot -49:sc= 1.21 USER MOD Set 4.2: A 86 THR OG1 : rot 180:sc= -0.304 USER MOD Set 5.1: A 50 GLN : amide:sc= 0.536 K(o=-1.1,f=-9.9!) USER MOD Set 5.2: A 83 HIS :FLIP no HD1:sc= -1.67 F(o=-2.6!,f=-1.1) USER MOD Set 6.1: A 27 GLN : amide:sc= 0 K(o=-21,f=-23) USER MOD Set 6.2: A 79 HIS : no HE2:sc= -21.3! C(o=-21!,f=-25!) USER MOD Set 7.1: A 13 GLN : amide:sc= -4.85! C(o=-9.3!,f=-15!) USER MOD Set 7.2: A 29 MET CE :methyl 165:sc= -4.4! (180deg=-0.414) USER MOD Single : A 1 ALA N :NH3+ -125:sc= -0.438 (180deg=-1.56!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -133:sc= -0.898! USER MOD Single : A 15 ASN :FLIP amide:sc= -11.4! C(o=-16!,f=-11!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 20 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.016) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -19:sc= 0.781 USER MOD Single : A 43 SER OG : rot 51:sc= 0.0849 USER MOD Single : A 44 LYS NZ :NH3+ -102:sc= -0.526 (180deg=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -2.36! C(o=-3.4!,f=-2.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -150:sc= -0.187 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= 0.0812 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0329 K(o=-0.033,f=-2.8!) USER MOD Single : A 69 THR OG1 : rot -54:sc= 0.0382 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 140:sc= -3.61 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot -35:sc= 0.127 USER MOD Single : A 179 NAG O6 : rot 28:sc= 0.0104 USER MOD Single : A 180 BMA O2 : rot -33:sc= -0.484 USER MOD Single : A 180 BMA O4 : rot 170:sc= 0 USER MOD Single : A 181 MAN O3 : rot -4:sc= 0.218 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 180:sc= -0.94 USER MOD Single : A 182 MAN O3 : rot 27:sc= 0.0887 USER MOD Single : A 182 MAN O6 : rot 14:sc= 0.876 USER MOD Single : A 183 NAG O3 : rot -95:sc= 0.877 USER MOD Single : A 184 NAG O3 : rot -170:sc= 0 USER MOD Single : A 185 GAL O3 : rot 88:sc= 0.0865 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.12 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 96:sc= 0.0619 USER MOD Single : A 186 GAL O4 : rot 126:sc= 1.22 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0.875 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.524 -5.962 -20.692 1.00 0.00 N ATOM 2 CA ALA A 1 -4.362 -5.820 -19.774 1.00 0.00 C ATOM 3 C ALA A 1 -4.445 -4.522 -18.975 1.00 0.00 C ATOM 4 O ALA A 1 -4.751 -4.538 -17.783 1.00 0.00 O ATOM 5 CB ALA A 1 -3.058 -5.873 -20.556 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.001 -6.868 -20.511 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.191 -5.181 -20.530 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.193 -5.936 -21.678 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.387 -6.653 -19.071 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.218 -5.768 -19.870 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.984 -6.828 -21.076 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.037 -5.061 -21.283 1.00 0.00 H new ATOM 13 N PRO A 2 -4.182 -3.376 -19.625 1.00 0.00 N ATOM 14 CA PRO A 2 -4.234 -2.064 -18.973 1.00 0.00 C ATOM 15 C PRO A 2 -5.534 -1.865 -18.205 1.00 0.00 C ATOM 16 O PRO A 2 -5.555 -1.234 -17.150 1.00 0.00 O ATOM 17 CB PRO A 2 -4.143 -1.068 -20.141 1.00 0.00 C ATOM 18 CG PRO A 2 -4.336 -1.886 -21.376 1.00 0.00 C ATOM 19 CD PRO A 2 -3.822 -3.253 -21.041 1.00 0.00 C ATOM 0 HA PRO A 2 -3.438 -1.942 -18.239 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.907 -0.295 -20.058 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.178 -0.562 -20.152 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.387 -1.922 -21.661 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.792 -1.458 -22.218 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.291 -4.026 -21.650 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.746 -3.334 -21.197 1.00 0.00 H new ATOM 27 N ASP A 3 -6.617 -2.415 -18.742 1.00 0.00 N ATOM 28 CA ASP A 3 -7.924 -2.307 -18.108 1.00 0.00 C ATOM 29 C ASP A 3 -8.069 -3.336 -16.991 1.00 0.00 C ATOM 30 O ASP A 3 -8.607 -3.039 -15.925 1.00 0.00 O ATOM 31 CB ASP A 3 -9.034 -2.500 -19.143 1.00 0.00 C ATOM 32 CG ASP A 3 -9.178 -3.948 -19.567 1.00 0.00 C ATOM 33 OD1 ASP A 3 -9.744 -4.741 -18.785 1.00 0.00 O ATOM 34 OD2 ASP A 3 -8.725 -4.289 -20.679 1.00 0.00 O ATOM 0 H ASP A 3 -6.615 -2.941 -19.616 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.011 -1.310 -17.675 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.979 -2.149 -18.729 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.822 -1.886 -20.019 1.00 0.00 H new ATOM 39 N VAL A 4 -7.585 -4.548 -17.243 1.00 0.00 N ATOM 40 CA VAL A 4 -7.661 -5.623 -16.259 1.00 0.00 C ATOM 41 C VAL A 4 -6.438 -6.530 -16.346 1.00 0.00 C ATOM 42 O VAL A 4 -5.953 -6.830 -17.437 1.00 0.00 O ATOM 43 CB VAL A 4 -8.934 -6.471 -16.451 1.00 0.00 C ATOM 44 CG1 VAL A 4 -8.788 -7.395 -17.650 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.249 -7.266 -15.193 1.00 0.00 C ATOM 0 H VAL A 4 -7.136 -4.811 -18.120 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.693 -5.154 -15.276 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.767 -5.795 -16.641 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.697 -7.985 -17.768 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.621 -6.801 -18.549 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.940 -8.062 -17.494 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.151 -7.857 -15.352 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.416 -7.931 -14.964 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.406 -6.581 -14.360 1.00 0.00 H new ATOM 55 N GLN A 5 -5.940 -6.961 -15.191 1.00 0.00 N ATOM 56 CA GLN A 5 -4.772 -7.831 -15.144 1.00 0.00 C ATOM 57 C GLN A 5 -3.488 -7.014 -15.231 1.00 0.00 C ATOM 58 O GLN A 5 -2.665 -7.223 -16.122 1.00 0.00 O ATOM 59 CB GLN A 5 -4.825 -8.848 -16.287 1.00 0.00 C ATOM 60 CG GLN A 5 -4.451 -10.259 -15.864 1.00 0.00 C ATOM 61 CD GLN A 5 -3.492 -10.924 -16.832 1.00 0.00 C ATOM 62 OE1 GLN A 5 -2.360 -11.249 -16.477 1.00 0.00 O ATOM 63 NE2 GLN A 5 -3.943 -11.127 -18.065 1.00 0.00 N ATOM 0 H GLN A 5 -6.327 -6.722 -14.278 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.779 -8.364 -14.193 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.831 -8.858 -16.707 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.152 -8.525 -17.081 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.998 -10.229 -14.873 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.356 -10.862 -15.783 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.890 -10.841 -18.315 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.343 -11.569 -18.761 1.00 0.00 H new ATOM 72 N ASP A 6 -3.325 -6.079 -14.300 1.00 0.00 N ATOM 73 CA ASP A 6 -2.142 -5.228 -14.274 1.00 0.00 C ATOM 74 C ASP A 6 -2.011 -4.506 -12.936 1.00 0.00 C ATOM 75 O ASP A 6 -1.400 -3.440 -12.854 1.00 0.00 O ATOM 76 CB ASP A 6 -2.196 -4.211 -15.416 1.00 0.00 C ATOM 77 CG ASP A 6 -3.539 -3.511 -15.506 1.00 0.00 C ATOM 78 OD1 ASP A 6 -4.510 -4.012 -14.903 1.00 0.00 O ATOM 79 OD2 ASP A 6 -3.616 -2.462 -16.180 1.00 0.00 O ATOM 0 H ASP A 6 -3.996 -5.892 -13.555 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.267 -5.865 -14.403 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.411 -3.468 -15.274 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.989 -4.717 -16.359 1.00 0.00 H new ATOM 84 N CYS A 7 -2.581 -5.096 -11.888 1.00 0.00 N ATOM 85 CA CYS A 7 -2.521 -4.510 -10.554 1.00 0.00 C ATOM 86 C CYS A 7 -3.054 -5.486 -9.509 1.00 0.00 C ATOM 87 O CYS A 7 -4.194 -5.369 -9.058 1.00 0.00 O ATOM 88 CB CYS A 7 -3.315 -3.201 -10.506 1.00 0.00 C ATOM 89 SG CYS A 7 -5.120 -3.414 -10.639 1.00 0.00 S ATOM 0 H CYS A 7 -3.089 -5.979 -11.938 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.477 -4.295 -10.326 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.089 -2.687 -9.572 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.976 -2.554 -11.316 1.00 0.00 H new ATOM 94 N PRO A 8 -2.231 -6.468 -9.112 1.00 0.00 N ATOM 95 CA PRO A 8 -2.621 -7.473 -8.117 1.00 0.00 C ATOM 96 C PRO A 8 -2.879 -6.863 -6.742 1.00 0.00 C ATOM 97 O PRO A 8 -2.132 -7.104 -5.793 1.00 0.00 O ATOM 98 CB PRO A 8 -1.419 -8.421 -8.069 1.00 0.00 C ATOM 99 CG PRO A 8 -0.275 -7.618 -8.584 1.00 0.00 C ATOM 100 CD PRO A 8 -0.859 -6.677 -9.601 1.00 0.00 C ATOM 0 HA PRO A 8 -3.555 -7.966 -8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.231 -8.769 -7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.589 -9.305 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.212 -7.069 -7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.482 -8.260 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.302 -5.741 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.849 -7.108 -10.602 1.00 0.00 H new ATOM 108 N GLU A 9 -3.945 -6.073 -6.642 1.00 0.00 N ATOM 109 CA GLU A 9 -4.309 -5.431 -5.388 1.00 0.00 C ATOM 110 C GLU A 9 -3.170 -4.572 -4.856 1.00 0.00 C ATOM 111 O GLU A 9 -2.123 -4.440 -5.490 1.00 0.00 O ATOM 112 CB GLU A 9 -4.699 -6.480 -4.347 1.00 0.00 C ATOM 113 CG GLU A 9 -6.060 -6.234 -3.717 1.00 0.00 C ATOM 114 CD GLU A 9 -7.160 -6.070 -4.749 1.00 0.00 C ATOM 115 OE1 GLU A 9 -7.388 -4.926 -5.196 1.00 0.00 O ATOM 116 OE2 GLU A 9 -7.793 -7.085 -5.108 1.00 0.00 O ATOM 0 H GLU A 9 -4.572 -5.863 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.164 -4.783 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.697 -7.464 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.943 -6.500 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.307 -7.066 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.013 -5.339 -3.097 1.00 0.00 H new ATOM 123 N CYS A 10 -3.393 -3.985 -3.688 1.00 0.00 N ATOM 124 CA CYS A 10 -2.400 -3.125 -3.054 1.00 0.00 C ATOM 125 C CYS A 10 -1.222 -3.933 -2.516 1.00 0.00 C ATOM 126 O CYS A 10 -1.402 -4.939 -1.829 1.00 0.00 O ATOM 127 CB CYS A 10 -3.038 -2.325 -1.919 1.00 0.00 C ATOM 128 SG CYS A 10 -4.241 -1.076 -2.477 1.00 0.00 S ATOM 0 H CYS A 10 -4.258 -4.089 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.024 -2.440 -3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.536 -3.015 -1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.251 -1.828 -1.351 1.00 0.00 H new ATOM 133 N THR A 11 -0.014 -3.475 -2.832 1.00 0.00 N ATOM 134 CA THR A 11 1.206 -4.134 -2.385 1.00 0.00 C ATOM 135 C THR A 11 2.386 -3.178 -2.494 1.00 0.00 C ATOM 136 O THR A 11 2.308 -2.043 -2.044 1.00 0.00 O ATOM 137 CB THR A 11 1.448 -5.411 -3.194 1.00 0.00 C ATOM 138 OG1 THR A 11 2.825 -5.732 -3.256 1.00 0.00 O ATOM 139 CG2 THR A 11 0.928 -5.334 -4.614 1.00 0.00 C ATOM 0 H THR A 11 0.145 -2.643 -3.401 1.00 0.00 H new ATOM 0 HA THR A 11 1.096 -4.418 -1.338 1.00 0.00 H new ATOM 0 HB THR A 11 0.894 -6.184 -2.662 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.069 -5.948 -4.180 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.134 -6.273 -5.128 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.147 -5.157 -4.599 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.423 -4.517 -5.139 1.00 0.00 H new ATOM 147 N LEU A 12 3.474 -3.634 -3.084 1.00 0.00 N ATOM 148 CA LEU A 12 4.655 -2.798 -3.235 1.00 0.00 C ATOM 149 C LEU A 12 5.383 -3.100 -4.530 1.00 0.00 C ATOM 150 O LEU A 12 5.725 -4.249 -4.809 1.00 0.00 O ATOM 151 CB LEU A 12 5.604 -3.005 -2.063 1.00 0.00 C ATOM 152 CG LEU A 12 5.290 -2.190 -0.810 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.077 -2.756 -0.093 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.499 -2.183 0.097 1.00 0.00 C ATOM 0 H LEU A 12 3.567 -4.575 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 12 4.322 -1.760 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.601 -4.062 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.615 -2.762 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 12 5.055 -1.165 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.870 -2.161 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.214 -2.726 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.275 -3.788 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.279 -1.602 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.747 -3.206 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.344 -1.736 -0.427 1.00 0.00 H new ATOM 166 N GLN A 13 5.631 -2.061 -5.314 1.00 0.00 N ATOM 167 CA GLN A 13 6.335 -2.223 -6.574 1.00 0.00 C ATOM 168 C GLN A 13 7.811 -2.009 -6.381 1.00 0.00 C ATOM 169 O GLN A 13 8.464 -1.280 -7.128 1.00 0.00 O ATOM 170 CB GLN A 13 5.809 -1.261 -7.601 1.00 0.00 C ATOM 171 CG GLN A 13 4.378 -1.551 -7.981 1.00 0.00 C ATOM 172 CD GLN A 13 4.230 -1.949 -9.436 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.196 -1.100 -10.327 1.00 0.00 O ATOM 174 NE2 GLN A 13 4.144 -3.252 -9.686 1.00 0.00 N ATOM 0 H GLN A 13 5.356 -1.102 -5.100 1.00 0.00 H new ATOM 0 HA GLN A 13 6.168 -3.240 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.880 -0.245 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.435 -1.307 -8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.993 -2.351 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.768 -0.669 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.176 -3.922 -8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.046 -3.582 -10.646 1.00 0.00 H new ATOM 183 N GLU A 14 8.299 -2.642 -5.347 1.00 0.00 N ATOM 184 CA GLU A 14 9.701 -2.558 -4.951 1.00 0.00 C ATOM 185 C GLU A 14 10.488 -1.671 -5.890 1.00 0.00 C ATOM 186 O GLU A 14 10.625 -1.943 -7.082 1.00 0.00 O ATOM 187 CB GLU A 14 10.360 -3.924 -4.876 1.00 0.00 C ATOM 188 CG GLU A 14 11.369 -4.046 -3.738 1.00 0.00 C ATOM 189 CD GLU A 14 11.493 -5.470 -3.228 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.906 -6.348 -4.014 1.00 0.00 O ATOM 191 OE2 GLU A 14 11.178 -5.706 -2.043 1.00 0.00 O ATOM 0 H GLU A 14 7.737 -3.240 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 14 9.709 -2.119 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.590 -4.685 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.862 -4.130 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.344 -3.699 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.069 -3.394 -2.918 1.00 0.00 H new ATOM 198 N ASN A 15 11.001 -0.615 -5.317 1.00 0.00 N ATOM 199 CA ASN A 15 11.789 0.362 -6.034 1.00 0.00 C ATOM 200 C ASN A 15 13.015 -0.281 -6.676 1.00 0.00 C ATOM 201 O ASN A 15 13.995 -0.586 -5.995 1.00 0.00 O ATOM 202 CB ASN A 15 12.212 1.451 -5.069 1.00 0.00 C ATOM 203 CG ASN A 15 11.884 2.838 -5.563 1.00 0.00 C ATOM 204 OD1 ASN A 15 12.258 3.829 -4.771 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 11.309 3.017 -6.636 1.00 0.00 N flip ATOM 0 H ASN A 15 10.884 -0.403 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 15 11.185 0.788 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.722 1.288 -4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.286 1.378 -4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.041 2.218 -7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.100 3.964 -6.951 1.00 0.00 H new ATOM 212 N PRO A 16 12.977 -0.496 -8.000 1.00 0.00 N ATOM 213 CA PRO A 16 14.086 -1.103 -8.740 1.00 0.00 C ATOM 214 C PRO A 16 15.251 -0.140 -8.921 1.00 0.00 C ATOM 215 O PRO A 16 16.146 -0.370 -9.733 1.00 0.00 O ATOM 216 CB PRO A 16 13.472 -1.462 -10.104 1.00 0.00 C ATOM 217 CG PRO A 16 12.007 -1.174 -9.987 1.00 0.00 C ATOM 218 CD PRO A 16 11.857 -0.167 -8.884 1.00 0.00 C ATOM 0 HA PRO A 16 14.499 -1.962 -8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.923 -0.872 -10.902 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.645 -2.511 -10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.612 -0.783 -10.925 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.450 -2.083 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.921 0.855 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.897 -0.262 -8.376 1.00 0.00 H new ATOM 226 N PHE A 17 15.227 0.938 -8.152 1.00 0.00 N ATOM 227 CA PHE A 17 16.268 1.952 -8.204 1.00 0.00 C ATOM 228 C PHE A 17 17.051 1.976 -6.900 1.00 0.00 C ATOM 229 O PHE A 17 18.282 1.936 -6.888 1.00 0.00 O ATOM 230 CB PHE A 17 15.645 3.326 -8.443 1.00 0.00 C ATOM 231 CG PHE A 17 16.657 4.413 -8.645 1.00 0.00 C ATOM 232 CD1 PHE A 17 17.477 4.407 -9.759 1.00 0.00 C ATOM 233 CD2 PHE A 17 16.785 5.438 -7.723 1.00 0.00 C ATOM 234 CE1 PHE A 17 18.411 5.407 -9.954 1.00 0.00 C ATOM 235 CE2 PHE A 17 17.718 6.440 -7.911 1.00 0.00 C ATOM 236 CZ PHE A 17 18.532 6.425 -9.028 1.00 0.00 C ATOM 0 H PHE A 17 14.488 1.134 -7.477 1.00 0.00 H new ATOM 0 HA PHE A 17 16.945 1.710 -9.023 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.998 3.276 -9.318 1.00 0.00 H new ATOM 0 HB3 PHE A 17 15.012 3.582 -7.593 1.00 0.00 H new ATOM 0 HD1 PHE A 17 17.386 3.612 -10.484 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.150 5.455 -6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 17 19.045 5.393 -10.828 1.00 0.00 H new ATOM 0 HE2 PHE A 17 17.811 7.235 -7.185 1.00 0.00 H new ATOM 0 HZ PHE A 17 19.261 7.208 -9.177 1.00 0.00 H new ATOM 246 N PHE A 18 16.311 2.053 -5.804 1.00 0.00 N ATOM 247 CA PHE A 18 16.893 2.096 -4.473 1.00 0.00 C ATOM 248 C PHE A 18 17.297 0.702 -4.001 1.00 0.00 C ATOM 249 O PHE A 18 17.975 0.555 -2.988 1.00 0.00 O ATOM 250 CB PHE A 18 15.879 2.689 -3.502 1.00 0.00 C ATOM 251 CG PHE A 18 16.444 3.756 -2.612 1.00 0.00 C ATOM 252 CD1 PHE A 18 16.811 4.981 -3.137 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.612 3.531 -1.256 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.338 5.969 -2.326 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.141 4.512 -0.439 1.00 0.00 C ATOM 256 CZ PHE A 18 17.505 5.733 -0.975 1.00 0.00 C ATOM 0 H PHE A 18 15.292 2.087 -5.813 1.00 0.00 H new ATOM 0 HA PHE A 18 17.789 2.716 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.047 3.106 -4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.473 1.890 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.685 5.168 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.327 2.579 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.618 6.923 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.270 4.325 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.919 6.501 -0.339 1.00 0.00 H new ATOM 266 N SER A 19 16.863 -0.316 -4.732 1.00 0.00 N ATOM 267 CA SER A 19 17.169 -1.698 -4.380 1.00 0.00 C ATOM 268 C SER A 19 18.666 -1.908 -4.176 1.00 0.00 C ATOM 269 O SER A 19 19.430 -1.983 -5.138 1.00 0.00 O ATOM 270 CB SER A 19 16.649 -2.647 -5.463 1.00 0.00 C ATOM 271 OG SER A 19 15.499 -3.346 -5.018 1.00 0.00 O ATOM 0 H SER A 19 16.297 -0.211 -5.574 1.00 0.00 H new ATOM 0 HA SER A 19 16.669 -1.918 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.409 -2.081 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.429 -3.359 -5.733 1.00 0.00 H new ATOM 0 HG SER A 19 15.185 -3.944 -5.728 1.00 0.00 H new ATOM 277 N GLN A 20 19.072 -2.014 -2.915 1.00 0.00 N ATOM 278 CA GLN A 20 20.474 -2.230 -2.570 1.00 0.00 C ATOM 279 C GLN A 20 20.631 -3.494 -1.729 1.00 0.00 C ATOM 280 O GLN A 20 19.650 -4.035 -1.218 1.00 0.00 O ATOM 281 CB GLN A 20 21.039 -1.028 -1.809 1.00 0.00 C ATOM 282 CG GLN A 20 20.281 0.264 -2.062 1.00 0.00 C ATOM 283 CD GLN A 20 21.039 1.493 -1.599 1.00 0.00 C ATOM 284 OE1 GLN A 20 20.517 2.309 -0.839 1.00 0.00 O ATOM 285 NE2 GLN A 20 22.277 1.634 -2.058 1.00 0.00 N ATOM 0 H GLN A 20 18.447 -1.954 -2.111 1.00 0.00 H new ATOM 0 HA GLN A 20 21.032 -2.350 -3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.024 -1.245 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.083 -0.888 -2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.071 0.353 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.320 0.222 -1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.671 0.934 -2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.834 2.443 -1.782 1.00 0.00 H new ATOM 294 N PRO A 21 21.873 -3.980 -1.576 1.00 0.00 N ATOM 295 CA PRO A 21 22.161 -5.188 -0.794 1.00 0.00 C ATOM 296 C PRO A 21 21.584 -5.122 0.615 1.00 0.00 C ATOM 297 O PRO A 21 22.311 -4.888 1.580 1.00 0.00 O ATOM 298 CB PRO A 21 23.690 -5.222 -0.741 1.00 0.00 C ATOM 299 CG PRO A 21 24.125 -4.466 -1.947 1.00 0.00 C ATOM 300 CD PRO A 21 23.093 -3.392 -2.155 1.00 0.00 C ATOM 0 HA PRO A 21 21.715 -6.076 -1.242 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.065 -4.761 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 21 24.065 -6.245 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 21 25.115 -4.033 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.188 -5.120 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 21 23.370 -2.465 -1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.964 -3.157 -3.211 1.00 0.00 H new ATOM 308 N GLY A 22 20.278 -5.334 0.727 1.00 0.00 N ATOM 309 CA GLY A 22 19.635 -5.300 2.027 1.00 0.00 C ATOM 310 C GLY A 22 18.558 -4.238 2.127 1.00 0.00 C ATOM 311 O GLY A 22 18.055 -3.964 3.217 1.00 0.00 O ATOM 0 H GLY A 22 19.654 -5.528 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.196 -6.276 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.388 -5.119 2.794 1.00 0.00 H new ATOM 315 N ALA A 23 18.196 -3.637 0.997 1.00 0.00 N ATOM 316 CA ALA A 23 17.168 -2.606 0.996 1.00 0.00 C ATOM 317 C ALA A 23 16.590 -2.376 -0.382 1.00 0.00 C ATOM 318 O ALA A 23 17.153 -1.670 -1.219 1.00 0.00 O ATOM 319 CB ALA A 23 17.712 -1.312 1.579 1.00 0.00 C ATOM 0 H ALA A 23 18.595 -3.844 0.081 1.00 0.00 H new ATOM 0 HA ALA A 23 16.352 -2.959 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.930 -0.552 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.040 -1.484 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.557 -0.970 0.981 1.00 0.00 H new ATOM 325 N PRO A 24 15.442 -3.004 -0.610 1.00 0.00 N ATOM 326 CA PRO A 24 14.698 -2.958 -1.844 1.00 0.00 C ATOM 327 C PRO A 24 13.448 -2.104 -1.722 1.00 0.00 C ATOM 328 O PRO A 24 12.353 -2.611 -1.486 1.00 0.00 O ATOM 329 CB PRO A 24 14.342 -4.430 -1.982 1.00 0.00 C ATOM 330 CG PRO A 24 14.165 -4.918 -0.567 1.00 0.00 C ATOM 331 CD PRO A 24 14.756 -3.872 0.338 1.00 0.00 C ATOM 0 HA PRO A 24 15.237 -2.522 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.430 -4.563 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.130 -4.981 -2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.110 -5.071 -0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.664 -5.877 -0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.989 -3.338 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.442 -4.303 1.067 1.00 0.00 H new ATOM 339 N ILE A 25 13.639 -0.805 -1.864 1.00 0.00 N ATOM 340 CA ILE A 25 12.580 0.162 -1.761 1.00 0.00 C ATOM 341 C ILE A 25 11.302 -0.267 -2.449 1.00 0.00 C ATOM 342 O ILE A 25 11.170 -1.411 -2.873 1.00 0.00 O ATOM 343 CB ILE A 25 13.074 1.497 -2.272 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.183 1.930 -1.355 1.00 0.00 C ATOM 345 CG2 ILE A 25 11.962 2.520 -2.237 1.00 0.00 C ATOM 346 CD1 ILE A 25 13.721 1.925 0.071 1.00 0.00 C ATOM 0 H ILE A 25 14.552 -0.393 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 25 12.313 0.251 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 25 13.418 1.410 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.037 1.263 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.520 2.929 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.334 3.475 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.138 2.183 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.611 2.641 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.538 2.241 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.882 2.611 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.407 0.919 0.348 1.00 0.00 H new ATOM 358 N LEU A 26 10.311 0.621 -2.453 1.00 0.00 N ATOM 359 CA LEU A 26 9.009 0.262 -2.959 1.00 0.00 C ATOM 360 C LEU A 26 8.170 1.419 -3.439 1.00 0.00 C ATOM 361 O LEU A 26 8.656 2.485 -3.801 1.00 0.00 O ATOM 362 CB LEU A 26 8.316 -0.376 -1.785 1.00 0.00 C ATOM 363 CG LEU A 26 9.257 -0.561 -0.606 1.00 0.00 C ATOM 364 CD1 LEU A 26 8.555 -0.286 0.705 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.869 -1.954 -0.609 1.00 0.00 C ATOM 0 H LEU A 26 10.392 1.580 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 26 9.132 -0.376 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.471 0.242 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.912 -1.344 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 26 10.064 0.164 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.255 -0.427 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.187 0.740 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.716 -0.973 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.538 -2.059 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.077 -2.700 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.431 -2.102 -1.531 1.00 0.00 H new ATOM 377 N GLN A 27 6.880 1.148 -3.431 1.00 0.00 N ATOM 378 CA GLN A 27 5.872 2.110 -3.855 1.00 0.00 C ATOM 379 C GLN A 27 4.555 1.398 -4.192 1.00 0.00 C ATOM 380 O GLN A 27 4.188 1.269 -5.361 1.00 0.00 O ATOM 381 CB GLN A 27 6.396 2.908 -5.053 1.00 0.00 C ATOM 382 CG GLN A 27 5.332 3.741 -5.755 1.00 0.00 C ATOM 383 CD GLN A 27 5.279 5.170 -5.250 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.772 5.436 -4.161 1.00 0.00 O ATOM 385 NE2 GLN A 27 5.802 6.100 -6.042 1.00 0.00 N ATOM 0 H GLN A 27 6.496 0.252 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 27 5.670 2.803 -3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.195 3.568 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.835 2.217 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.529 3.746 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.358 3.273 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.213 5.835 -6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.793 7.079 -5.755 1.00 0.00 H new ATOM 394 N CYS A 28 3.861 0.921 -3.150 1.00 0.00 N ATOM 395 CA CYS A 28 2.591 0.198 -3.314 1.00 0.00 C ATOM 396 C CYS A 28 1.930 0.509 -4.650 1.00 0.00 C ATOM 397 O CYS A 28 1.488 1.633 -4.885 1.00 0.00 O ATOM 398 CB CYS A 28 1.586 0.533 -2.197 1.00 0.00 C ATOM 399 SG CYS A 28 2.112 0.096 -0.507 1.00 0.00 S ATOM 0 H CYS A 28 4.159 1.023 -2.180 1.00 0.00 H new ATOM 0 HA CYS A 28 2.850 -0.860 -3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.378 1.603 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.648 0.020 -2.411 1.00 0.00 H new ATOM 404 N MET A 29 1.837 -0.497 -5.510 1.00 0.00 N ATOM 405 CA MET A 29 1.194 -0.318 -6.806 1.00 0.00 C ATOM 406 C MET A 29 -0.183 0.317 -6.617 1.00 0.00 C ATOM 407 O MET A 29 -0.591 1.187 -7.388 1.00 0.00 O ATOM 408 CB MET A 29 1.060 -1.663 -7.523 1.00 0.00 C ATOM 409 CG MET A 29 0.128 -1.627 -8.727 1.00 0.00 C ATOM 410 SD MET A 29 0.189 -0.060 -9.618 1.00 0.00 S ATOM 411 CE MET A 29 1.850 -0.102 -10.282 1.00 0.00 C ATOM 0 H MET A 29 2.195 -1.436 -5.337 1.00 0.00 H new ATOM 0 HA MET A 29 1.810 0.341 -7.418 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.047 -1.990 -7.849 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.695 -2.407 -6.815 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.391 -2.436 -9.408 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.894 -1.810 -8.394 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.949 0.652 -11.063 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.565 0.104 -9.486 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.049 -1.088 -10.703 1.00 0.00 H new ATOM 421 N GLY A 30 -0.890 -0.116 -5.576 1.00 0.00 N ATOM 422 CA GLY A 30 -2.207 0.424 -5.290 1.00 0.00 C ATOM 423 C GLY A 30 -3.215 0.132 -6.386 1.00 0.00 C ATOM 424 O GLY A 30 -3.037 0.551 -7.529 1.00 0.00 O ATOM 0 H GLY A 30 -0.572 -0.833 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.569 0.007 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.130 1.502 -5.152 1.00 0.00 H new ATOM 428 N CYS A 31 -4.276 -0.589 -6.033 1.00 0.00 N ATOM 429 CA CYS A 31 -5.322 -0.938 -6.990 1.00 0.00 C ATOM 430 C CYS A 31 -6.372 -1.839 -6.345 1.00 0.00 C ATOM 431 O CYS A 31 -6.434 -3.036 -6.624 1.00 0.00 O ATOM 432 CB CYS A 31 -4.715 -1.634 -8.211 1.00 0.00 C ATOM 433 SG CYS A 31 -5.875 -1.841 -9.601 1.00 0.00 S ATOM 0 H CYS A 31 -4.434 -0.943 -5.090 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.808 -0.017 -7.311 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.854 -1.060 -8.553 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.345 -2.615 -7.911 1.00 0.00 H new ATOM 438 N CYS A 32 -7.194 -1.252 -5.479 1.00 0.00 N ATOM 439 CA CYS A 32 -8.244 -1.997 -4.790 1.00 0.00 C ATOM 440 C CYS A 32 -9.420 -2.279 -5.720 1.00 0.00 C ATOM 441 O CYS A 32 -9.613 -1.585 -6.718 1.00 0.00 O ATOM 442 CB CYS A 32 -8.725 -1.218 -3.564 1.00 0.00 C ATOM 443 SG CYS A 32 -7.409 -0.290 -2.711 1.00 0.00 S ATOM 0 H CYS A 32 -7.153 -0.262 -5.238 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.825 -2.951 -4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.505 -0.522 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.179 -1.914 -2.859 1.00 0.00 H new ATOM 448 N PHE A 33 -10.204 -3.301 -5.386 1.00 0.00 N ATOM 449 CA PHE A 33 -11.361 -3.671 -6.192 1.00 0.00 C ATOM 450 C PHE A 33 -12.075 -4.884 -5.605 1.00 0.00 C ATOM 451 O PHE A 33 -11.443 -5.880 -5.251 1.00 0.00 O ATOM 452 CB PHE A 33 -10.933 -3.967 -7.632 1.00 0.00 C ATOM 453 CG PHE A 33 -9.814 -4.966 -7.734 1.00 0.00 C ATOM 454 CD1 PHE A 33 -8.493 -4.555 -7.666 1.00 0.00 C ATOM 455 CD2 PHE A 33 -10.084 -6.316 -7.898 1.00 0.00 C ATOM 456 CE1 PHE A 33 -7.461 -5.470 -7.759 1.00 0.00 C ATOM 457 CE2 PHE A 33 -9.056 -7.236 -7.991 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.743 -6.811 -7.922 1.00 0.00 C ATOM 0 H PHE A 33 -10.058 -3.886 -4.563 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.054 -2.829 -6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.793 -4.339 -8.189 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.623 -3.037 -8.109 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.266 -3.507 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.109 -6.653 -7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.435 -5.136 -7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.279 -8.285 -8.117 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.938 -7.528 -7.996 1.00 0.00 H new ATOM 468 N SER A 34 -13.398 -4.795 -5.507 1.00 0.00 N ATOM 469 CA SER A 34 -14.199 -5.887 -4.966 1.00 0.00 C ATOM 470 C SER A 34 -13.722 -6.272 -3.569 1.00 0.00 C ATOM 471 O SER A 34 -12.863 -5.608 -2.991 1.00 0.00 O ATOM 472 CB SER A 34 -14.129 -7.102 -5.893 1.00 0.00 C ATOM 473 OG SER A 34 -14.902 -6.897 -7.064 1.00 0.00 O ATOM 0 H SER A 34 -13.937 -3.979 -5.795 1.00 0.00 H new ATOM 0 HA SER A 34 -15.233 -5.548 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.092 -7.294 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.489 -7.986 -5.366 1.00 0.00 H new ATOM 0 HG SER A 34 -14.839 -7.687 -7.640 1.00 0.00 H new ATOM 479 N ARG A 35 -14.286 -7.350 -3.034 1.00 0.00 N ATOM 480 CA ARG A 35 -13.922 -7.828 -1.705 1.00 0.00 C ATOM 481 C ARG A 35 -13.568 -9.312 -1.742 1.00 0.00 C ATOM 482 O ARG A 35 -13.928 -10.022 -2.681 1.00 0.00 O ATOM 483 CB ARG A 35 -15.069 -7.591 -0.720 1.00 0.00 C ATOM 484 CG ARG A 35 -14.632 -7.609 0.738 1.00 0.00 C ATOM 485 CD ARG A 35 -15.480 -6.676 1.589 1.00 0.00 C ATOM 486 NE ARG A 35 -14.759 -6.209 2.770 1.00 0.00 N ATOM 487 CZ ARG A 35 -15.297 -5.430 3.703 1.00 0.00 C ATOM 488 NH1 ARG A 35 -16.556 -5.030 3.591 1.00 0.00 N ATOM 489 NH2 ARG A 35 -14.576 -5.048 4.746 1.00 0.00 N ATOM 0 H ARG A 35 -14.999 -7.910 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.047 -7.269 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -15.533 -6.630 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.831 -8.355 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.705 -8.624 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.585 -7.315 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.789 -5.819 0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.388 -7.193 1.899 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.787 -6.497 2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.114 -5.320 2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.967 -4.432 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.606 -5.352 4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.990 -4.450 5.461 1.00 0.00 H new ATOM 503 N ALA A 36 -12.862 -9.773 -0.715 1.00 0.00 N ATOM 504 CA ALA A 36 -12.462 -11.173 -0.628 1.00 0.00 C ATOM 505 C ALA A 36 -12.592 -11.691 0.797 1.00 0.00 C ATOM 506 O ALA A 36 -11.606 -12.072 1.429 1.00 0.00 O ATOM 507 CB ALA A 36 -11.040 -11.350 -1.119 1.00 0.00 C ATOM 0 H ALA A 36 -12.555 -9.197 0.069 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.130 -11.753 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.758 -12.401 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.971 -11.026 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.366 -10.751 -0.506 1.00 0.00 H new ATOM 513 N TYR A 37 -13.817 -11.697 1.290 1.00 0.00 N ATOM 514 CA TYR A 37 -14.106 -12.162 2.644 1.00 0.00 C ATOM 515 C TYR A 37 -15.534 -12.688 2.743 1.00 0.00 C ATOM 516 O TYR A 37 -16.288 -12.308 3.638 1.00 0.00 O ATOM 517 CB TYR A 37 -13.900 -11.028 3.651 1.00 0.00 C ATOM 518 CG TYR A 37 -12.576 -11.081 4.386 1.00 0.00 C ATOM 519 CD1 TYR A 37 -11.632 -12.063 4.105 1.00 0.00 C ATOM 520 CD2 TYR A 37 -12.273 -10.141 5.361 1.00 0.00 C ATOM 521 CE1 TYR A 37 -10.425 -12.104 4.777 1.00 0.00 C ATOM 522 CE2 TYR A 37 -11.069 -10.175 6.037 1.00 0.00 C ATOM 523 CZ TYR A 37 -10.149 -11.157 5.742 1.00 0.00 C ATOM 524 OH TYR A 37 -8.947 -11.192 6.412 1.00 0.00 O ATOM 0 H TYR A 37 -14.638 -11.383 0.772 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.419 -12.975 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.974 -10.075 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.709 -11.054 4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -11.845 -12.805 3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.991 -9.369 5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.702 -12.873 4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.850 -9.435 6.793 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.911 -10.455 7.057 1.00 0.00 H new ATOM 534 N PRO A 38 -15.919 -13.576 1.816 1.00 0.00 N ATOM 535 CA PRO A 38 -17.247 -14.169 1.779 1.00 0.00 C ATOM 536 C PRO A 38 -17.811 -14.427 3.174 1.00 0.00 C ATOM 537 O PRO A 38 -17.145 -15.015 4.025 1.00 0.00 O ATOM 538 CB PRO A 38 -17.031 -15.494 1.033 1.00 0.00 C ATOM 539 CG PRO A 38 -15.622 -15.468 0.511 1.00 0.00 C ATOM 540 CD PRO A 38 -15.087 -14.079 0.726 1.00 0.00 C ATOM 0 HA PRO A 38 -17.970 -13.509 1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -17.182 -16.343 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -17.745 -15.600 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.006 -16.201 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.600 -15.728 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.031 -14.090 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.181 -13.466 -0.170 1.00 0.00 H new ATOM 548 N THR A 39 -19.043 -13.982 3.396 1.00 0.00 N ATOM 549 CA THR A 39 -19.704 -14.161 4.683 1.00 0.00 C ATOM 550 C THR A 39 -18.857 -13.598 5.819 1.00 0.00 C ATOM 551 O THR A 39 -17.634 -13.499 5.711 1.00 0.00 O ATOM 552 CB THR A 39 -20.000 -15.641 4.934 1.00 0.00 C ATOM 553 OG1 THR A 39 -18.827 -16.333 5.323 1.00 0.00 O ATOM 554 CG2 THR A 39 -20.573 -16.351 3.726 1.00 0.00 C ATOM 0 H THR A 39 -19.605 -13.493 2.699 1.00 0.00 H new ATOM 0 HA THR A 39 -20.645 -13.612 4.653 1.00 0.00 H new ATOM 0 HB THR A 39 -20.745 -15.652 5.730 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.039 -15.814 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 39 -20.759 -17.396 3.973 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.509 -15.875 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.864 -16.294 2.900 1.00 0.00 H new ATOM 562 N PRO A 40 -19.510 -13.217 6.924 1.00 0.00 N ATOM 563 CA PRO A 40 -18.832 -12.652 8.097 1.00 0.00 C ATOM 564 C PRO A 40 -17.841 -13.626 8.723 1.00 0.00 C ATOM 565 O PRO A 40 -17.915 -14.834 8.500 1.00 0.00 O ATOM 566 CB PRO A 40 -19.979 -12.359 9.073 1.00 0.00 C ATOM 567 CG PRO A 40 -21.213 -12.340 8.237 1.00 0.00 C ATOM 568 CD PRO A 40 -20.963 -13.303 7.114 1.00 0.00 C ATOM 0 HA PRO A 40 -18.242 -11.773 7.836 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -20.041 -13.123 9.848 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.831 -11.404 9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -22.085 -12.638 8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -21.411 -11.338 7.856 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -21.277 -14.314 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -21.506 -13.021 6.212 1.00 0.00 H new ATOM 576 N LEU A 41 -16.915 -13.091 9.513 1.00 0.00 N ATOM 577 CA LEU A 41 -15.908 -13.911 10.178 1.00 0.00 C ATOM 578 C LEU A 41 -15.964 -13.715 11.691 1.00 0.00 C ATOM 579 O LEU A 41 -17.045 -13.668 12.279 1.00 0.00 O ATOM 580 CB LEU A 41 -14.515 -13.567 9.652 1.00 0.00 C ATOM 581 CG LEU A 41 -14.383 -13.549 8.129 1.00 0.00 C ATOM 582 CD1 LEU A 41 -12.950 -13.244 7.721 1.00 0.00 C ATOM 583 CD2 LEU A 41 -14.836 -14.876 7.538 1.00 0.00 C ATOM 0 H LEU A 41 -16.841 -12.093 9.708 1.00 0.00 H new ATOM 0 HA LEU A 41 -16.119 -14.958 9.960 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.230 -12.588 10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -13.803 -14.288 10.054 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.027 -12.761 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.875 -13.235 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.660 -12.269 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.286 -14.009 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.735 -14.845 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.219 -15.681 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.879 -15.054 7.800 1.00 0.00 H new ATOM 595 N ARG A 42 -14.796 -13.602 12.319 1.00 0.00 N ATOM 596 CA ARG A 42 -14.722 -13.410 13.763 1.00 0.00 C ATOM 597 C ARG A 42 -13.309 -13.663 14.277 1.00 0.00 C ATOM 598 O ARG A 42 -13.017 -14.725 14.825 1.00 0.00 O ATOM 599 CB ARG A 42 -15.710 -14.340 14.471 1.00 0.00 C ATOM 600 CG ARG A 42 -16.896 -13.614 15.086 1.00 0.00 C ATOM 601 CD ARG A 42 -18.195 -14.367 14.846 1.00 0.00 C ATOM 602 NE ARG A 42 -19.366 -13.544 15.133 1.00 0.00 N ATOM 603 CZ ARG A 42 -19.722 -13.172 16.358 1.00 0.00 C ATOM 604 NH1 ARG A 42 -18.998 -13.551 17.404 1.00 0.00 N ATOM 605 NH2 ARG A 42 -20.800 -12.424 16.539 1.00 0.00 N ATOM 0 H ARG A 42 -13.891 -13.640 11.851 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.985 -12.375 13.981 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.077 -15.078 13.757 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.184 -14.887 15.253 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.736 -13.495 16.158 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.971 -12.613 14.662 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.233 -14.703 13.810 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -18.217 -15.260 15.471 1.00 0.00 H new ATOM 0 HE ARG A 42 -19.943 -13.237 14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -18.168 -14.128 17.268 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -19.272 -13.265 18.344 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -21.359 -12.132 15.737 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -21.071 -12.140 17.480 1.00 0.00 H new ATOM 619 N SER A 43 -12.437 -12.678 14.099 1.00 0.00 N ATOM 620 CA SER A 43 -11.054 -12.793 14.546 1.00 0.00 C ATOM 621 C SER A 43 -10.182 -11.729 13.889 1.00 0.00 C ATOM 622 O SER A 43 -9.693 -11.915 12.775 1.00 0.00 O ATOM 623 CB SER A 43 -10.506 -14.185 14.229 1.00 0.00 C ATOM 624 OG SER A 43 -10.834 -14.575 12.907 1.00 0.00 O ATOM 0 H SER A 43 -12.663 -11.791 13.649 1.00 0.00 H new ATOM 0 HA SER A 43 -11.033 -12.641 15.625 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.423 -14.190 14.355 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.912 -14.908 14.936 1.00 0.00 H new ATOM 0 HG SER A 43 -10.583 -13.862 12.284 1.00 0.00 H new ATOM 630 N LYS A 44 -9.992 -10.613 14.585 1.00 0.00 N ATOM 631 CA LYS A 44 -9.179 -9.517 14.072 1.00 0.00 C ATOM 632 C LYS A 44 -9.635 -9.111 12.673 1.00 0.00 C ATOM 633 O LYS A 44 -9.322 -9.781 11.689 1.00 0.00 O ATOM 634 CB LYS A 44 -7.703 -9.917 14.039 1.00 0.00 C ATOM 635 CG LYS A 44 -6.784 -8.801 13.566 1.00 0.00 C ATOM 636 CD LYS A 44 -5.372 -9.305 13.307 1.00 0.00 C ATOM 637 CE LYS A 44 -4.958 -10.365 14.315 1.00 0.00 C ATOM 638 NZ LYS A 44 -5.284 -11.740 13.846 1.00 0.00 N ATOM 0 H LYS A 44 -10.391 -10.444 15.508 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.303 -8.665 14.740 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.397 -10.231 15.037 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.583 -10.779 13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.186 -8.361 12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.756 -8.010 14.316 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.312 -9.718 12.300 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.674 -8.469 13.351 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.886 -10.290 14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.460 -10.178 15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.143 -12.076 14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.445 -11.727 12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.493 -12.378 14.065 1.00 0.00 H new ATOM 652 N LYS A 45 -10.373 -8.008 12.592 1.00 0.00 N ATOM 653 CA LYS A 45 -10.868 -7.511 11.313 1.00 0.00 C ATOM 654 C LYS A 45 -9.719 -6.983 10.458 1.00 0.00 C ATOM 655 O LYS A 45 -8.550 -7.238 10.748 1.00 0.00 O ATOM 656 CB LYS A 45 -11.909 -6.412 11.541 1.00 0.00 C ATOM 657 CG LYS A 45 -13.103 -6.481 10.597 1.00 0.00 C ATOM 658 CD LYS A 45 -13.801 -7.832 10.662 1.00 0.00 C ATOM 659 CE LYS A 45 -14.762 -7.912 11.837 1.00 0.00 C ATOM 660 NZ LYS A 45 -14.348 -8.950 12.820 1.00 0.00 N ATOM 0 H LYS A 45 -10.641 -7.442 13.397 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.339 -8.337 10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.268 -6.474 12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.427 -5.441 11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.812 -5.693 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.770 -6.293 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.346 -8.005 9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.056 -8.623 10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.812 -6.942 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.764 -8.136 11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.028 -8.974 13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.324 -9.880 12.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.402 -8.723 13.187 1.00 0.00 H new ATOM 674 N THR A 46 -10.056 -6.249 9.402 1.00 0.00 N ATOM 675 CA THR A 46 -9.049 -5.691 8.508 1.00 0.00 C ATOM 676 C THR A 46 -8.726 -4.246 8.879 1.00 0.00 C ATOM 677 O THR A 46 -9.590 -3.507 9.351 1.00 0.00 O ATOM 678 CB THR A 46 -9.531 -5.766 7.058 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.481 -4.750 6.790 1.00 0.00 O ATOM 680 CG2 THR A 46 -10.165 -7.095 6.710 1.00 0.00 C ATOM 0 H THR A 46 -11.018 -6.027 9.145 1.00 0.00 H new ATOM 0 HA THR A 46 -8.139 -6.281 8.613 1.00 0.00 H new ATOM 0 HB THR A 46 -8.637 -5.637 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.775 -4.815 5.857 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.485 -7.084 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.439 -7.894 6.857 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.028 -7.266 7.353 1.00 0.00 H new ATOM 688 N MET A 47 -7.474 -3.851 8.662 1.00 0.00 N ATOM 689 CA MET A 47 -7.030 -2.496 8.973 1.00 0.00 C ATOM 690 C MET A 47 -8.124 -1.479 8.680 1.00 0.00 C ATOM 691 O MET A 47 -8.869 -1.615 7.708 1.00 0.00 O ATOM 692 CB MET A 47 -5.771 -2.149 8.176 1.00 0.00 C ATOM 693 CG MET A 47 -4.507 -2.154 9.018 1.00 0.00 C ATOM 694 SD MET A 47 -4.252 -3.717 9.879 1.00 0.00 S ATOM 695 CE MET A 47 -3.992 -3.146 11.557 1.00 0.00 C ATOM 0 H MET A 47 -6.748 -4.452 8.271 1.00 0.00 H new ATOM 0 HA MET A 47 -6.800 -2.457 10.038 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.658 -2.862 7.359 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.895 -1.165 7.725 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.648 -1.952 8.378 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.558 -1.346 9.748 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.820 -4.002 12.210 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.124 -2.487 11.587 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.873 -2.602 11.897 1.00 0.00 H new ATOM 705 N LEU A 48 -8.222 -0.464 9.531 1.00 0.00 N ATOM 706 CA LEU A 48 -9.231 0.573 9.367 1.00 0.00 C ATOM 707 C LEU A 48 -8.599 1.962 9.336 1.00 0.00 C ATOM 708 O LEU A 48 -7.428 2.131 9.675 1.00 0.00 O ATOM 709 CB LEU A 48 -10.259 0.487 10.497 1.00 0.00 C ATOM 710 CG LEU A 48 -11.133 -0.769 10.477 1.00 0.00 C ATOM 711 CD1 LEU A 48 -12.161 -0.726 11.598 1.00 0.00 C ATOM 712 CD2 LEU A 48 -11.817 -0.919 9.126 1.00 0.00 C ATOM 0 H LEU A 48 -7.615 -0.338 10.341 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.731 0.410 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.734 0.532 11.451 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.906 1.363 10.448 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.493 -1.636 10.637 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.772 -1.628 11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.649 -0.668 12.559 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.799 0.149 11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.435 -1.817 9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.444 -0.048 8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.063 -1.000 8.343 1.00 0.00 H new ATOM 724 N VAL A 49 -9.385 2.953 8.924 1.00 0.00 N ATOM 725 CA VAL A 49 -8.907 4.327 8.845 1.00 0.00 C ATOM 726 C VAL A 49 -8.263 4.756 10.163 1.00 0.00 C ATOM 727 O VAL A 49 -8.460 4.117 11.196 1.00 0.00 O ATOM 728 CB VAL A 49 -10.053 5.295 8.471 1.00 0.00 C ATOM 729 CG1 VAL A 49 -9.997 6.569 9.299 1.00 0.00 C ATOM 730 CG2 VAL A 49 -10.009 5.619 6.985 1.00 0.00 C ATOM 0 H VAL A 49 -10.357 2.828 8.640 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.153 4.369 8.059 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.997 4.798 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.817 7.227 9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.087 6.320 10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.047 7.075 9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.822 6.301 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.055 6.088 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.118 4.700 6.409 1.00 0.00 H new ATOM 740 N GLN A 50 -7.481 5.830 10.117 1.00 0.00 N ATOM 741 CA GLN A 50 -6.798 6.325 11.308 1.00 0.00 C ATOM 742 C GLN A 50 -7.514 7.530 11.910 1.00 0.00 C ATOM 743 O GLN A 50 -6.887 8.542 12.225 1.00 0.00 O ATOM 744 CB GLN A 50 -5.351 6.691 10.971 1.00 0.00 C ATOM 745 CG GLN A 50 -5.224 7.906 10.066 1.00 0.00 C ATOM 746 CD GLN A 50 -5.548 7.592 8.619 1.00 0.00 C ATOM 747 OE1 GLN A 50 -6.702 7.340 8.271 1.00 0.00 O ATOM 748 NE2 GLN A 50 -4.529 7.605 7.768 1.00 0.00 N ATOM 0 H GLN A 50 -7.305 6.373 9.272 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.808 5.527 12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.808 6.880 11.897 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.872 5.838 10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.892 8.691 10.422 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.209 8.298 10.130 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.589 7.819 8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.686 7.401 6.781 1.00 0.00 H new ATOM 757 N LYS A 51 -8.825 7.411 12.089 1.00 0.00 N ATOM 758 CA LYS A 51 -9.618 8.489 12.675 1.00 0.00 C ATOM 759 C LYS A 51 -9.809 9.645 11.696 1.00 0.00 C ATOM 760 O LYS A 51 -9.065 10.625 11.737 1.00 0.00 O ATOM 761 CB LYS A 51 -8.937 9.002 13.946 1.00 0.00 C ATOM 762 CG LYS A 51 -9.852 9.056 15.160 1.00 0.00 C ATOM 763 CD LYS A 51 -9.681 10.358 15.932 1.00 0.00 C ATOM 764 CE LYS A 51 -8.214 10.701 16.141 1.00 0.00 C ATOM 765 NZ LYS A 51 -7.570 9.812 17.147 1.00 0.00 N ATOM 0 H LYS A 51 -9.362 6.581 11.838 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.601 8.085 12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.086 8.361 14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.542 10.000 13.757 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.889 8.955 14.840 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.638 8.212 15.816 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.170 11.168 15.392 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.176 10.275 16.899 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.684 10.618 15.192 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.127 11.738 16.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.571 10.080 17.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.059 9.909 18.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.629 8.825 16.826 1.00 0.00 H new ATOM 779 N ASN A 52 -10.820 9.534 10.831 1.00 0.00 N ATOM 780 CA ASN A 52 -11.123 10.580 9.852 1.00 0.00 C ATOM 781 C ASN A 52 -11.764 9.997 8.595 1.00 0.00 C ATOM 782 O ASN A 52 -11.283 9.009 8.042 1.00 0.00 O ATOM 783 CB ASN A 52 -9.859 11.357 9.473 1.00 0.00 C ATOM 784 CG ASN A 52 -9.762 12.694 10.188 1.00 0.00 C ATOM 785 OD1 ASN A 52 -10.100 12.710 11.474 1.00 0.00 O flip ATOM 786 ND2 ASN A 52 -9.386 13.703 9.591 1.00 0.00 N flip ATOM 0 H ASN A 52 -11.444 8.728 10.789 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.833 11.263 10.318 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.982 10.756 9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.848 11.523 8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.136 13.648 8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.325 14.594 10.084 1.00 0.00 H new ATOM 793 N VAL A 53 -12.847 10.625 8.146 1.00 0.00 N ATOM 794 CA VAL A 53 -13.555 10.181 6.950 1.00 0.00 C ATOM 795 C VAL A 53 -13.905 11.365 6.055 1.00 0.00 C ATOM 796 O VAL A 53 -14.985 11.945 6.173 1.00 0.00 O ATOM 797 CB VAL A 53 -14.850 9.423 7.300 1.00 0.00 C ATOM 798 CG1 VAL A 53 -14.532 8.083 7.947 1.00 0.00 C ATOM 799 CG2 VAL A 53 -15.734 10.266 8.207 1.00 0.00 C ATOM 0 H VAL A 53 -13.254 11.446 8.594 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.883 9.505 6.422 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.395 9.231 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.461 7.565 8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.945 7.476 7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.962 8.247 8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -16.644 9.714 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.198 10.494 9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.995 11.195 7.700 1.00 0.00 H new ATOM 809 N THR A 54 -12.988 11.721 5.162 1.00 0.00 N ATOM 810 CA THR A 54 -13.207 12.840 4.250 1.00 0.00 C ATOM 811 C THR A 54 -12.660 12.530 2.861 1.00 0.00 C ATOM 812 O THR A 54 -11.789 11.676 2.701 1.00 0.00 O ATOM 813 CB THR A 54 -12.543 14.109 4.793 1.00 0.00 C ATOM 814 OG1 THR A 54 -11.226 13.835 5.237 1.00 0.00 O ATOM 815 CG2 THR A 54 -13.295 14.734 5.948 1.00 0.00 C ATOM 0 H THR A 54 -12.089 11.253 5.050 1.00 0.00 H new ATOM 0 HA THR A 54 -14.282 13.001 4.172 1.00 0.00 H new ATOM 0 HB THR A 54 -12.542 14.812 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.818 14.658 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.769 15.628 6.283 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.300 15.004 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.358 14.021 6.770 1.00 0.00 H new ATOM 823 N SER A 55 -13.175 13.237 1.859 1.00 0.00 N ATOM 824 CA SER A 55 -12.738 13.045 0.481 1.00 0.00 C ATOM 825 C SER A 55 -13.310 11.759 -0.106 1.00 0.00 C ATOM 826 O SER A 55 -13.832 10.911 0.620 1.00 0.00 O ATOM 827 CB SER A 55 -11.209 13.012 0.411 1.00 0.00 C ATOM 828 OG SER A 55 -10.758 13.016 -0.932 1.00 0.00 O ATOM 0 H SER A 55 -13.896 13.949 1.977 1.00 0.00 H new ATOM 0 HA SER A 55 -13.109 13.884 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.799 13.874 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.838 12.122 0.919 1.00 0.00 H new ATOM 0 HG SER A 55 -9.905 12.537 -0.992 1.00 0.00 H new ATOM 834 N GLU A 56 -13.207 11.618 -1.424 1.00 0.00 N ATOM 835 CA GLU A 56 -13.710 10.432 -2.108 1.00 0.00 C ATOM 836 C GLU A 56 -12.601 9.769 -2.920 1.00 0.00 C ATOM 837 O GLU A 56 -11.417 10.008 -2.680 1.00 0.00 O ATOM 838 CB GLU A 56 -14.884 10.794 -3.020 1.00 0.00 C ATOM 839 CG GLU A 56 -15.188 12.284 -3.064 1.00 0.00 C ATOM 840 CD GLU A 56 -16.630 12.574 -3.431 1.00 0.00 C ATOM 841 OE1 GLU A 56 -17.476 11.669 -3.282 1.00 0.00 O ATOM 842 OE2 GLU A 56 -16.913 13.711 -3.867 1.00 0.00 O ATOM 0 H GLU A 56 -12.780 12.310 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.059 9.727 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.668 10.446 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.773 10.261 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.969 12.725 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.529 12.764 -3.787 1.00 0.00 H new ATOM 849 N SER A 57 -12.990 8.932 -3.877 1.00 0.00 N ATOM 850 CA SER A 57 -12.027 8.231 -4.718 1.00 0.00 C ATOM 851 C SER A 57 -11.036 7.453 -3.859 1.00 0.00 C ATOM 852 O SER A 57 -10.288 8.036 -3.075 1.00 0.00 O ATOM 853 CB SER A 57 -11.282 9.219 -5.619 1.00 0.00 C ATOM 854 OG SER A 57 -10.199 8.590 -6.281 1.00 0.00 O ATOM 0 H SER A 57 -13.966 8.723 -4.089 1.00 0.00 H new ATOM 0 HA SER A 57 -12.571 7.527 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.970 9.634 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.912 10.053 -5.022 1.00 0.00 H new ATOM 0 HG SER A 57 -9.741 9.242 -6.851 1.00 0.00 H new ATOM 860 N THR A 58 -11.047 6.132 -3.997 1.00 0.00 N ATOM 861 CA THR A 58 -10.161 5.276 -3.219 1.00 0.00 C ATOM 862 C THR A 58 -8.794 5.127 -3.878 1.00 0.00 C ATOM 863 O THR A 58 -8.688 4.980 -5.097 1.00 0.00 O ATOM 864 CB THR A 58 -10.795 3.899 -3.020 1.00 0.00 C ATOM 865 OG1 THR A 58 -11.659 3.584 -4.098 1.00 0.00 O ATOM 866 CG2 THR A 58 -11.595 3.786 -1.739 1.00 0.00 C ATOM 0 H THR A 58 -11.660 5.631 -4.640 1.00 0.00 H new ATOM 0 HA THR A 58 -10.015 5.752 -2.250 1.00 0.00 H new ATOM 0 HB THR A 58 -9.959 3.201 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.053 2.699 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.017 2.784 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.943 3.973 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.401 4.520 -1.748 1.00 0.00 H new ATOM 874 N CYS A 59 -7.753 5.152 -3.053 1.00 0.00 N ATOM 875 CA CYS A 59 -6.378 5.006 -3.523 1.00 0.00 C ATOM 876 C CYS A 59 -5.466 4.627 -2.363 1.00 0.00 C ATOM 877 O CYS A 59 -5.476 5.276 -1.317 1.00 0.00 O ATOM 878 CB CYS A 59 -5.872 6.298 -4.170 1.00 0.00 C ATOM 879 SG CYS A 59 -7.176 7.343 -4.898 1.00 0.00 S ATOM 0 H CYS A 59 -7.836 5.273 -2.044 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.364 4.216 -4.274 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.336 6.879 -3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.153 6.042 -4.948 1.00 0.00 H new ATOM 884 N CYS A 60 -4.684 3.572 -2.547 1.00 0.00 N ATOM 885 CA CYS A 60 -3.776 3.108 -1.505 1.00 0.00 C ATOM 886 C CYS A 60 -2.614 4.076 -1.299 1.00 0.00 C ATOM 887 O CYS A 60 -1.868 4.375 -2.232 1.00 0.00 O ATOM 888 CB CYS A 60 -3.240 1.718 -1.850 1.00 0.00 C ATOM 889 SG CYS A 60 -4.143 0.357 -1.044 1.00 0.00 S ATOM 0 H CYS A 60 -4.659 3.022 -3.406 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.341 3.058 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.284 1.580 -2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.190 1.663 -1.564 1.00 0.00 H new ATOM 894 N VAL A 61 -2.462 4.552 -0.065 1.00 0.00 N ATOM 895 CA VAL A 61 -1.385 5.477 0.278 1.00 0.00 C ATOM 896 C VAL A 61 -0.537 4.918 1.416 1.00 0.00 C ATOM 897 O VAL A 61 -0.478 5.490 2.504 1.00 0.00 O ATOM 898 CB VAL A 61 -1.926 6.862 0.680 1.00 0.00 C ATOM 899 CG1 VAL A 61 -0.838 7.694 1.341 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.485 7.584 -0.534 1.00 0.00 C ATOM 0 H VAL A 61 -3.073 4.311 0.716 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.770 5.593 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.731 6.720 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.242 8.668 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.482 7.183 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.010 7.828 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.863 8.561 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.697 7.712 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.296 6.997 -0.965 1.00 0.00 H new ATOM 910 N ALA A 62 0.115 3.794 1.148 1.00 0.00 N ATOM 911 CA ALA A 62 0.968 3.131 2.129 1.00 0.00 C ATOM 912 C ALA A 62 0.467 3.317 3.561 1.00 0.00 C ATOM 913 O ALA A 62 0.636 4.380 4.159 1.00 0.00 O ATOM 914 CB ALA A 62 2.402 3.623 2.014 1.00 0.00 C ATOM 0 H ALA A 62 0.069 3.317 0.248 1.00 0.00 H new ATOM 0 HA ALA A 62 0.931 2.065 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.021 3.116 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.781 3.408 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.433 4.698 2.190 1.00 0.00 H new ATOM 920 N LYS A 63 -0.108 2.254 4.113 1.00 0.00 N ATOM 921 CA LYS A 63 -0.591 2.259 5.484 1.00 0.00 C ATOM 922 C LYS A 63 0.539 2.677 6.402 1.00 0.00 C ATOM 923 O LYS A 63 0.361 3.466 7.328 1.00 0.00 O ATOM 924 CB LYS A 63 -1.057 0.857 5.866 1.00 0.00 C ATOM 925 CG LYS A 63 -1.550 0.742 7.300 1.00 0.00 C ATOM 926 CD LYS A 63 -2.378 1.950 7.705 1.00 0.00 C ATOM 927 CE LYS A 63 -3.383 1.598 8.791 1.00 0.00 C ATOM 928 NZ LYS A 63 -4.263 2.750 9.131 1.00 0.00 N ATOM 0 H LYS A 63 -0.251 1.370 3.624 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.424 2.956 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.858 0.554 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.234 0.158 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.148 -0.163 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.697 0.643 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.719 2.742 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.904 2.341 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.995 0.759 8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.851 1.272 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.239 2.415 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.929 3.195 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.237 3.446 8.359 1.00 0.00 H new ATOM 942 N SER A 64 1.711 2.134 6.107 1.00 0.00 N ATOM 943 CA SER A 64 2.914 2.426 6.861 1.00 0.00 C ATOM 944 C SER A 64 4.078 2.506 5.899 1.00 0.00 C ATOM 945 O SER A 64 4.323 1.576 5.132 1.00 0.00 O ATOM 946 CB SER A 64 3.164 1.351 7.921 1.00 0.00 C ATOM 947 OG SER A 64 2.208 1.431 8.964 1.00 0.00 O ATOM 0 H SER A 64 1.851 1.479 5.338 1.00 0.00 H new ATOM 0 HA SER A 64 2.799 3.378 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.122 0.364 7.460 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.167 1.468 8.333 1.00 0.00 H new ATOM 0 HG SER A 64 2.388 0.733 9.627 1.00 0.00 H new ATOM 953 N TYR A 65 4.766 3.630 5.905 1.00 0.00 N ATOM 954 CA TYR A 65 5.871 3.826 4.988 1.00 0.00 C ATOM 955 C TYR A 65 7.201 3.931 5.686 1.00 0.00 C ATOM 956 O TYR A 65 7.288 4.297 6.858 1.00 0.00 O ATOM 957 CB TYR A 65 5.671 5.103 4.184 1.00 0.00 C ATOM 958 CG TYR A 65 5.024 6.222 4.964 1.00 0.00 C ATOM 959 CD1 TYR A 65 3.700 6.138 5.374 1.00 0.00 C ATOM 960 CD2 TYR A 65 5.741 7.365 5.293 1.00 0.00 C ATOM 961 CE1 TYR A 65 3.110 7.160 6.092 1.00 0.00 C ATOM 962 CE2 TYR A 65 5.158 8.391 6.008 1.00 0.00 C ATOM 963 CZ TYR A 65 3.842 8.285 6.406 1.00 0.00 C ATOM 964 OH TYR A 65 3.260 9.304 7.123 1.00 0.00 O ATOM 0 H TYR A 65 4.582 4.416 6.529 1.00 0.00 H new ATOM 0 HA TYR A 65 5.883 2.948 4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.638 5.443 3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.057 4.879 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.122 5.259 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.772 7.452 4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.080 7.078 6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.730 9.273 6.255 1.00 0.00 H new ATOM 0 HH TYR A 65 3.913 10.022 7.260 1.00 0.00 H new ATOM 974 N ASN A 66 8.244 3.672 4.921 1.00 0.00 N ATOM 975 CA ASN A 66 9.601 3.808 5.437 1.00 0.00 C ATOM 976 C ASN A 66 10.377 4.669 4.470 1.00 0.00 C ATOM 977 O ASN A 66 11.585 4.532 4.284 1.00 0.00 O ATOM 978 CB ASN A 66 10.275 2.456 5.633 1.00 0.00 C ATOM 979 CG ASN A 66 10.760 2.252 7.055 1.00 0.00 C ATOM 980 OD1 ASN A 66 10.042 1.714 7.898 1.00 0.00 O ATOM 981 ND2 ASN A 66 11.986 2.684 7.329 1.00 0.00 N ATOM 0 H ASN A 66 8.184 3.369 3.949 1.00 0.00 H new ATOM 0 HA ASN A 66 9.572 4.275 6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.574 1.663 5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.119 2.371 4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.367 2.575 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.547 3.124 6.599 1.00 0.00 H new ATOM 988 N ARG A 67 9.609 5.544 3.858 1.00 0.00 N ATOM 989 CA ARG A 67 10.081 6.496 2.862 1.00 0.00 C ATOM 990 C ARG A 67 11.592 6.498 2.735 1.00 0.00 C ATOM 991 O ARG A 67 12.324 6.528 3.725 1.00 0.00 O ATOM 992 CB ARG A 67 9.575 7.891 3.205 1.00 0.00 C ATOM 993 CG ARG A 67 9.587 8.162 4.690 1.00 0.00 C ATOM 994 CD ARG A 67 9.718 9.645 4.990 1.00 0.00 C ATOM 995 NE ARG A 67 10.918 9.946 5.765 1.00 0.00 N ATOM 996 CZ ARG A 67 11.525 11.129 5.755 1.00 0.00 C ATOM 997 NH1 ARG A 67 11.042 12.117 5.012 1.00 0.00 N ATOM 998 NH2 ARG A 67 12.614 11.324 6.487 1.00 0.00 N ATOM 0 H ARG A 67 8.608 5.619 4.041 1.00 0.00 H new ATOM 0 HA ARG A 67 9.683 6.187 1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.193 8.633 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.560 8.009 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.669 7.780 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.414 7.623 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.743 10.203 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.839 9.982 5.539 1.00 0.00 H new ATOM 0 HE ARG A 67 11.313 9.207 6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.205 11.969 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.508 13.024 5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.987 10.566 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.079 12.232 6.478 1.00 0.00 H new ATOM 1012 N VAL A 68 12.038 6.466 1.495 1.00 0.00 N ATOM 1013 CA VAL A 68 13.456 6.457 1.181 1.00 0.00 C ATOM 1014 C VAL A 68 13.751 7.347 -0.010 1.00 0.00 C ATOM 1015 O VAL A 68 14.484 6.960 -0.918 1.00 0.00 O ATOM 1016 CB VAL A 68 13.947 5.030 0.871 1.00 0.00 C ATOM 1017 CG1 VAL A 68 13.342 4.028 1.845 1.00 0.00 C ATOM 1018 CG2 VAL A 68 13.612 4.650 -0.569 1.00 0.00 C ATOM 0 H VAL A 68 11.430 6.445 0.676 1.00 0.00 H new ATOM 0 HA VAL A 68 13.982 6.835 2.057 1.00 0.00 H new ATOM 0 HB VAL A 68 15.030 5.008 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.702 3.027 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.635 4.287 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.255 4.051 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.966 3.639 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.533 4.692 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.098 5.347 -1.252 1.00 0.00 H new ATOM 1028 N THR A 69 13.167 8.534 0.000 1.00 0.00 N ATOM 1029 CA THR A 69 13.350 9.489 -1.088 1.00 0.00 C ATOM 1030 C THR A 69 14.463 9.033 -2.021 1.00 0.00 C ATOM 1031 O THR A 69 15.609 8.865 -1.603 1.00 0.00 O ATOM 1032 CB THR A 69 13.667 10.877 -0.548 1.00 0.00 C ATOM 1033 OG1 THR A 69 12.538 11.443 0.095 1.00 0.00 O ATOM 1034 CG2 THR A 69 14.110 11.831 -1.633 1.00 0.00 C ATOM 0 H THR A 69 12.560 8.863 0.751 1.00 0.00 H new ATOM 0 HA THR A 69 12.416 9.538 -1.647 1.00 0.00 H new ATOM 0 HB THR A 69 14.483 10.740 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.774 11.436 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.324 12.806 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.009 11.444 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.317 11.932 -2.375 1.00 0.00 H new ATOM 1042 N VAL A 70 14.114 8.810 -3.278 1.00 0.00 N ATOM 1043 CA VAL A 70 15.083 8.344 -4.259 1.00 0.00 C ATOM 1044 C VAL A 70 15.232 9.294 -5.427 1.00 0.00 C ATOM 1045 O VAL A 70 14.732 10.418 -5.416 1.00 0.00 O ATOM 1046 CB VAL A 70 14.708 6.958 -4.814 1.00 0.00 C ATOM 1047 CG1 VAL A 70 14.375 6.001 -3.681 1.00 0.00 C ATOM 1048 CG2 VAL A 70 13.542 7.058 -5.784 1.00 0.00 C ATOM 0 H VAL A 70 13.171 8.943 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 70 16.031 8.288 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 70 15.569 6.568 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.112 5.027 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.240 5.897 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.533 6.392 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.297 6.065 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.676 7.475 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.816 7.706 -6.617 1.00 0.00 H new ATOM 1058 N MET A 71 15.938 8.810 -6.436 1.00 0.00 N ATOM 1059 CA MET A 71 16.190 9.573 -7.642 1.00 0.00 C ATOM 1060 C MET A 71 16.410 11.039 -7.324 1.00 0.00 C ATOM 1061 O MET A 71 17.269 11.393 -6.517 1.00 0.00 O ATOM 1062 CB MET A 71 15.031 9.415 -8.622 1.00 0.00 C ATOM 1063 CG MET A 71 14.969 8.043 -9.245 1.00 0.00 C ATOM 1064 SD MET A 71 14.347 8.065 -10.938 1.00 0.00 S ATOM 1065 CE MET A 71 14.394 6.318 -11.329 1.00 0.00 C ATOM 0 H MET A 71 16.351 7.877 -6.440 1.00 0.00 H new ATOM 0 HA MET A 71 17.098 9.185 -8.103 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.094 9.615 -8.103 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.124 10.162 -9.410 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.965 7.600 -9.235 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.330 7.403 -8.637 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.038 6.163 -12.348 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.418 5.953 -11.243 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.755 5.772 -10.635 1.00 0.00 H new ATOM 1075 N GLY A 72 15.630 11.882 -7.973 1.00 0.00 N ATOM 1076 CA GLY A 72 15.745 13.299 -7.766 1.00 0.00 C ATOM 1077 C GLY A 72 14.892 13.793 -6.612 1.00 0.00 C ATOM 1078 O GLY A 72 14.331 14.887 -6.671 1.00 0.00 O ATOM 0 H GLY A 72 14.914 11.604 -8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.788 13.551 -7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.453 13.820 -8.678 1.00 0.00 H new ATOM 1082 N GLY A 73 14.792 12.984 -5.563 1.00 0.00 N ATOM 1083 CA GLY A 73 13.996 13.360 -4.409 1.00 0.00 C ATOM 1084 C GLY A 73 12.677 12.618 -4.360 1.00 0.00 C ATOM 1085 O GLY A 73 11.728 13.058 -3.710 1.00 0.00 O ATOM 0 H GLY A 73 15.248 12.074 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.560 13.157 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.807 14.433 -4.434 1.00 0.00 H new ATOM 1089 N PHE A 74 12.625 11.486 -5.051 1.00 0.00 N ATOM 1090 CA PHE A 74 11.425 10.659 -5.098 1.00 0.00 C ATOM 1091 C PHE A 74 10.919 10.350 -3.694 1.00 0.00 C ATOM 1092 O PHE A 74 11.487 10.814 -2.708 1.00 0.00 O ATOM 1093 CB PHE A 74 11.730 9.360 -5.843 1.00 0.00 C ATOM 1094 CG PHE A 74 11.437 9.438 -7.314 1.00 0.00 C ATOM 1095 CD1 PHE A 74 11.956 10.469 -8.080 1.00 0.00 C ATOM 1096 CD2 PHE A 74 10.643 8.484 -7.929 1.00 0.00 C ATOM 1097 CE1 PHE A 74 11.689 10.548 -9.434 1.00 0.00 C ATOM 1098 CE2 PHE A 74 10.373 8.559 -9.283 1.00 0.00 C ATOM 1099 CZ PHE A 74 10.898 9.592 -10.036 1.00 0.00 C ATOM 0 H PHE A 74 13.408 11.117 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 74 10.644 11.208 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.780 9.106 -5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.145 8.552 -5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.577 11.220 -7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.231 7.674 -7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.099 11.357 -10.020 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.752 7.810 -9.752 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.689 9.651 -11.094 1.00 0.00 H new ATOM 1109 N LYS A 75 9.850 9.562 -3.615 1.00 0.00 N ATOM 1110 CA LYS A 75 9.266 9.183 -2.330 1.00 0.00 C ATOM 1111 C LYS A 75 8.518 7.855 -2.442 1.00 0.00 C ATOM 1112 O LYS A 75 7.428 7.791 -3.012 1.00 0.00 O ATOM 1113 CB LYS A 75 8.308 10.266 -1.826 1.00 0.00 C ATOM 1114 CG LYS A 75 8.812 11.684 -2.036 1.00 0.00 C ATOM 1115 CD LYS A 75 8.464 12.199 -3.422 1.00 0.00 C ATOM 1116 CE LYS A 75 8.801 13.674 -3.569 1.00 0.00 C ATOM 1117 NZ LYS A 75 7.578 14.514 -3.711 1.00 0.00 N ATOM 0 H LYS A 75 9.370 9.173 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 75 10.084 9.071 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.350 10.153 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.126 10.110 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.377 12.341 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.893 11.711 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.007 11.624 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.401 12.047 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.369 14.005 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.441 13.815 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.852 15.512 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.048 14.216 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.979 14.400 -2.868 1.00 0.00 H new ATOM 1131 N VAL A 76 9.107 6.801 -1.890 1.00 0.00 N ATOM 1132 CA VAL A 76 8.497 5.472 -1.917 1.00 0.00 C ATOM 1133 C VAL A 76 7.938 5.128 -0.580 1.00 0.00 C ATOM 1134 O VAL A 76 7.602 3.975 -0.310 1.00 0.00 O ATOM 1135 CB VAL A 76 9.535 4.394 -2.260 1.00 0.00 C ATOM 1136 CG1 VAL A 76 10.020 4.566 -3.688 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.676 4.535 -1.268 1.00 0.00 C ATOM 0 H VAL A 76 10.009 6.839 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 76 7.713 5.499 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 76 9.101 3.396 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.756 3.795 -3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.176 4.478 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.477 5.549 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.437 3.784 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.114 5.529 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.298 4.393 -0.256 1.00 0.00 H new ATOM 1147 N GLU A 77 7.863 6.132 0.252 1.00 0.00 N ATOM 1148 CA GLU A 77 7.374 5.947 1.606 1.00 0.00 C ATOM 1149 C GLU A 77 7.584 4.491 1.966 1.00 0.00 C ATOM 1150 O GLU A 77 6.684 3.829 2.476 1.00 0.00 O ATOM 1151 CB GLU A 77 5.892 6.320 1.689 1.00 0.00 C ATOM 1152 CG GLU A 77 5.402 7.123 0.497 1.00 0.00 C ATOM 1153 CD GLU A 77 5.809 8.581 0.569 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.198 9.035 1.666 1.00 0.00 O ATOM 1155 OE2 GLU A 77 5.739 9.269 -0.471 1.00 0.00 O ATOM 0 H GLU A 77 8.132 7.089 0.023 1.00 0.00 H new ATOM 0 HA GLU A 77 7.911 6.590 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.300 5.408 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.720 6.894 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.797 6.684 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.316 7.055 0.440 1.00 0.00 H new ATOM 1162 N ASN A 78 8.775 3.988 1.610 1.00 0.00 N ATOM 1163 CA ASN A 78 9.100 2.583 1.796 1.00 0.00 C ATOM 1164 C ASN A 78 7.841 1.888 2.222 1.00 0.00 C ATOM 1165 O ASN A 78 7.706 1.450 3.361 1.00 0.00 O ATOM 1166 CB ASN A 78 10.159 2.340 2.850 1.00 0.00 C ATOM 1167 CG ASN A 78 10.376 0.855 3.026 1.00 0.00 C ATOM 1168 OD1 ASN A 78 9.475 0.129 3.438 1.00 0.00 O ATOM 1169 ND2 ASN A 78 11.567 0.403 2.713 1.00 0.00 N ATOM 0 H ASN A 78 9.524 4.541 1.192 1.00 0.00 H new ATOM 0 HA ASN A 78 9.501 2.205 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.093 2.821 2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.853 2.787 3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.284 1.045 2.375 1.00 0.00 H new ATOM 1174 N HIS A 79 6.885 1.879 1.329 1.00 0.00 N ATOM 1175 CA HIS A 79 5.596 1.332 1.649 1.00 0.00 C ATOM 1176 C HIS A 79 5.694 0.060 2.451 1.00 0.00 C ATOM 1177 O HIS A 79 5.751 -1.043 1.925 1.00 0.00 O ATOM 1178 CB HIS A 79 4.740 1.172 0.403 1.00 0.00 C ATOM 1179 CG HIS A 79 4.461 2.501 -0.194 1.00 0.00 C ATOM 1180 ND1 HIS A 79 3.553 2.763 -1.191 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.017 3.679 0.129 1.00 0.00 C ATOM 1182 CE1 HIS A 79 3.591 4.080 -1.437 1.00 0.00 C ATOM 1183 NE2 HIS A 79 4.469 4.684 -0.659 1.00 0.00 N ATOM 0 H HIS A 79 6.976 2.242 0.380 1.00 0.00 H new ATOM 0 HA HIS A 79 5.091 2.051 2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.252 0.539 -0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.804 0.674 0.656 1.00 0.00 H new ATOM 0 HD1 HIS A 79 2.958 2.079 -1.659 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.774 3.824 0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.983 4.581 -2.175 1.00 0.00 H new ATOM 1191 N THR A 80 5.697 0.248 3.749 1.00 0.00 N ATOM 1192 CA THR A 80 5.780 -0.855 4.681 1.00 0.00 C ATOM 1193 C THR A 80 4.392 -1.458 4.909 1.00 0.00 C ATOM 1194 O THR A 80 4.243 -2.473 5.589 1.00 0.00 O ATOM 1195 CB THR A 80 6.425 -0.368 5.979 1.00 0.00 C ATOM 1196 OG1 THR A 80 5.477 0.283 6.807 1.00 0.00 O ATOM 1197 CG2 THR A 80 7.569 0.603 5.724 1.00 0.00 C ATOM 0 H THR A 80 5.642 1.166 4.190 1.00 0.00 H new ATOM 0 HA THR A 80 6.406 -1.648 4.273 1.00 0.00 H new ATOM 0 HB THR A 80 6.813 -1.259 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.631 0.030 7.741 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.995 0.921 6.675 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.338 0.111 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.194 1.473 5.185 1.00 0.00 H new ATOM 1205 N ALA A 81 3.383 -0.824 4.304 1.00 0.00 N ATOM 1206 CA ALA A 81 2.005 -1.271 4.391 1.00 0.00 C ATOM 1207 C ALA A 81 1.142 -0.374 3.510 1.00 0.00 C ATOM 1208 O ALA A 81 1.375 0.830 3.450 1.00 0.00 O ATOM 1209 CB ALA A 81 1.523 -1.244 5.833 1.00 0.00 C ATOM 0 H ALA A 81 3.508 0.016 3.740 1.00 0.00 H new ATOM 0 HA ALA A 81 1.930 -2.301 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.488 -1.583 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.146 -1.903 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.589 -0.227 6.220 1.00 0.00 H new ATOM 1215 N CYS A 82 0.162 -0.948 2.818 1.00 0.00 N ATOM 1216 CA CYS A 82 -0.708 -0.156 1.947 1.00 0.00 C ATOM 1217 C CYS A 82 -2.145 -0.162 2.460 1.00 0.00 C ATOM 1218 O CYS A 82 -2.578 -1.112 3.112 1.00 0.00 O ATOM 1219 CB CYS A 82 -0.667 -0.674 0.505 1.00 0.00 C ATOM 1220 SG CYS A 82 0.908 -1.455 0.031 1.00 0.00 S ATOM 0 H CYS A 82 -0.050 -1.945 2.840 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.336 0.868 1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -1.472 -1.396 0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.865 0.157 -0.172 1.00 0.00 H new ATOM 1225 N HIS A 83 -2.879 0.907 2.163 1.00 0.00 N ATOM 1226 CA HIS A 83 -4.267 1.026 2.596 1.00 0.00 C ATOM 1227 C HIS A 83 -5.063 1.909 1.639 1.00 0.00 C ATOM 1228 O HIS A 83 -4.744 3.083 1.450 1.00 0.00 O ATOM 1229 CB HIS A 83 -4.330 1.591 4.018 1.00 0.00 C ATOM 1230 CG HIS A 83 -4.031 3.056 4.103 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -3.238 3.847 3.339 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -4.577 3.881 5.063 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 -3.321 5.120 3.848 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -4.135 5.114 4.887 1.00 0.00 N flip ATOM 0 H HIS A 83 -2.536 1.702 1.625 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.713 0.032 2.591 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.324 1.409 4.427 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.623 1.049 4.645 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.260 3.568 5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.804 5.986 3.461 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -4.381 5.923 5.457 1.00 0.00 H new ATOM 1243 N CYS A 84 -6.098 1.333 1.033 1.00 0.00 N ATOM 1244 CA CYS A 84 -6.941 2.063 0.087 1.00 0.00 C ATOM 1245 C CYS A 84 -7.321 3.436 0.633 1.00 0.00 C ATOM 1246 O CYS A 84 -6.892 3.828 1.717 1.00 0.00 O ATOM 1247 CB CYS A 84 -8.204 1.262 -0.230 1.00 0.00 C ATOM 1248 SG CYS A 84 -7.889 -0.457 -0.746 1.00 0.00 S ATOM 0 H CYS A 84 -6.374 0.362 1.180 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.368 2.205 -0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.846 1.253 0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.755 1.772 -1.021 1.00 0.00 H new ATOM 1253 N SER A 85 -8.128 4.162 -0.134 1.00 0.00 N ATOM 1254 CA SER A 85 -8.568 5.495 0.263 1.00 0.00 C ATOM 1255 C SER A 85 -7.371 6.393 0.555 1.00 0.00 C ATOM 1256 O SER A 85 -6.256 5.911 0.748 1.00 0.00 O ATOM 1257 CB SER A 85 -9.474 5.416 1.492 1.00 0.00 C ATOM 1258 OG SER A 85 -8.714 5.445 2.689 1.00 0.00 O ATOM 0 H SER A 85 -8.491 3.849 -1.035 1.00 0.00 H new ATOM 0 HA SER A 85 -9.133 5.925 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.177 6.249 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.064 4.500 1.454 1.00 0.00 H new ATOM 0 HG SER A 85 -7.983 4.796 2.628 1.00 0.00 H new ATOM 1264 N THR A 86 -7.607 7.700 0.580 1.00 0.00 N ATOM 1265 CA THR A 86 -6.543 8.661 0.842 1.00 0.00 C ATOM 1266 C THR A 86 -5.788 8.979 -0.443 1.00 0.00 C ATOM 1267 O THR A 86 -4.940 8.203 -0.882 1.00 0.00 O ATOM 1268 CB THR A 86 -5.576 8.111 1.893 1.00 0.00 C ATOM 1269 OG1 THR A 86 -6.285 7.488 2.948 1.00 0.00 O ATOM 1270 CG2 THR A 86 -4.685 9.170 2.500 1.00 0.00 C ATOM 0 H THR A 86 -8.524 8.117 0.422 1.00 0.00 H new ATOM 0 HA THR A 86 -6.993 9.578 1.223 1.00 0.00 H new ATOM 0 HB THR A 86 -4.949 7.395 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.650 7.141 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.025 8.712 3.237 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.087 9.635 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.300 9.928 2.986 1.00 0.00 H new ATOM 1278 N CYS A 87 -6.105 10.118 -1.046 1.00 0.00 N ATOM 1279 CA CYS A 87 -5.455 10.528 -2.284 1.00 0.00 C ATOM 1280 C CYS A 87 -6.032 11.843 -2.790 1.00 0.00 C ATOM 1281 O CYS A 87 -6.278 12.005 -3.985 1.00 0.00 O ATOM 1282 CB CYS A 87 -5.616 9.445 -3.350 1.00 0.00 C ATOM 1283 SG CYS A 87 -7.337 8.894 -3.598 1.00 0.00 S ATOM 0 H CYS A 87 -6.806 10.772 -0.699 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.394 10.672 -2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -5.226 9.821 -4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -5.007 8.585 -3.073 1.00 0.00 H new ATOM 1288 N TYR A 88 -6.246 12.779 -1.873 1.00 0.00 N ATOM 1289 CA TYR A 88 -6.794 14.079 -2.227 1.00 0.00 C ATOM 1290 C TYR A 88 -6.719 15.039 -1.045 1.00 0.00 C ATOM 1291 O TYR A 88 -5.943 14.833 -0.111 1.00 0.00 O ATOM 1292 CB TYR A 88 -8.247 13.933 -2.686 1.00 0.00 C ATOM 1293 CG TYR A 88 -8.557 14.647 -3.983 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -7.746 14.490 -5.100 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -9.666 15.478 -4.090 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -8.032 15.139 -6.287 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -9.958 16.130 -5.272 1.00 0.00 C ATOM 1298 CZ TYR A 88 -9.140 15.957 -6.367 1.00 0.00 C ATOM 1299 OH TYR A 88 -9.429 16.605 -7.547 1.00 0.00 O ATOM 0 H TYR A 88 -6.048 12.660 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.199 14.488 -3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.476 12.874 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.904 14.317 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.878 13.850 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.310 15.616 -3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.392 15.006 -7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.824 16.773 -5.338 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.242 17.140 -7.436 1.00 0.00 H new ATOM 1309 N TYR A 89 -7.536 16.082 -1.092 1.00 0.00 N ATOM 1310 CA TYR A 89 -7.579 17.078 -0.030 1.00 0.00 C ATOM 1311 C TYR A 89 -8.366 18.303 -0.479 1.00 0.00 C ATOM 1312 O TYR A 89 -8.051 19.431 -0.099 1.00 0.00 O ATOM 1313 CB TYR A 89 -6.166 17.489 0.387 1.00 0.00 C ATOM 1314 CG TYR A 89 -5.157 17.465 -0.739 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -5.282 18.315 -1.832 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -4.072 16.599 -0.702 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -4.352 18.303 -2.854 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -3.140 16.579 -1.722 1.00 0.00 C ATOM 1319 CZ TYR A 89 -3.284 17.433 -2.795 1.00 0.00 C ATOM 1320 OH TYR A 89 -2.355 17.420 -3.808 1.00 0.00 O ATOM 0 H TYR A 89 -8.183 16.261 -1.860 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.079 16.633 0.830 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.201 18.494 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.825 16.823 1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.119 18.995 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.955 15.930 0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.461 18.972 -3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.303 15.898 -1.679 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.667 16.751 -3.612 1.00 0.00 H new ATOM 1330 N HIS A 90 -9.392 18.073 -1.291 1.00 0.00 N ATOM 1331 CA HIS A 90 -10.228 19.155 -1.794 1.00 0.00 C ATOM 1332 C HIS A 90 -11.617 19.095 -1.170 1.00 0.00 C ATOM 1333 O HIS A 90 -11.924 18.185 -0.400 1.00 0.00 O ATOM 1334 CB HIS A 90 -10.338 19.082 -3.318 1.00 0.00 C ATOM 1335 CG HIS A 90 -9.482 20.079 -4.037 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -10.002 21.112 -4.792 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -8.135 20.196 -4.123 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -9.013 21.820 -5.309 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -7.872 21.285 -4.918 1.00 0.00 N ATOM 0 H HIS A 90 -9.664 17.145 -1.615 1.00 0.00 H new ATOM 0 HA HIS A 90 -9.761 20.101 -1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -10.063 18.079 -3.645 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -11.378 19.237 -3.605 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.405 19.553 -3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.120 22.688 -5.943 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -6.943 21.626 -5.166 1.00 0.00 H new ATOM 1348 N LYS A 91 -12.454 20.068 -1.506 1.00 0.00 N ATOM 1349 CA LYS A 91 -13.813 20.123 -0.979 1.00 0.00 C ATOM 1350 C LYS A 91 -14.639 21.164 -1.732 1.00 0.00 C ATOM 1351 O LYS A 91 -14.652 21.180 -2.963 1.00 0.00 O ATOM 1352 CB LYS A 91 -13.782 20.438 0.519 1.00 0.00 C ATOM 1353 CG LYS A 91 -15.035 19.998 1.260 1.00 0.00 C ATOM 1354 CD LYS A 91 -14.695 19.217 2.519 1.00 0.00 C ATOM 1355 CE LYS A 91 -15.934 18.596 3.146 1.00 0.00 C ATOM 1356 NZ LYS A 91 -16.293 17.299 2.505 1.00 0.00 N ATOM 0 H LYS A 91 -12.217 20.830 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.284 19.150 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.916 19.951 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -13.649 21.511 0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.629 20.873 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.649 19.382 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.977 18.433 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.215 19.879 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.762 18.439 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.771 19.288 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.142 16.910 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.483 17.452 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.505 16.629 2.612 1.00 0.00 H new ATOM 1370 N SER A 92 -15.327 22.031 -0.996 1.00 0.00 N ATOM 1371 CA SER A 92 -16.148 23.067 -1.612 1.00 0.00 C ATOM 1372 C SER A 92 -15.374 23.788 -2.711 1.00 0.00 C ATOM 1373 O SER A 92 -15.968 24.663 -3.376 1.00 0.00 O ATOM 1374 CB SER A 92 -16.614 24.074 -0.558 1.00 0.00 C ATOM 1375 OG SER A 92 -18.005 23.950 -0.316 1.00 0.00 O ATOM 1376 OXT SER A 92 -14.179 23.473 -2.896 1.00 0.00 O ATOM 0 H SER A 92 -15.333 22.037 0.024 1.00 0.00 H new ATOM 0 HA SER A 92 -17.020 22.588 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.064 23.915 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.388 25.087 -0.893 1.00 0.00 H new ATOM 0 HG SER A 92 -18.279 24.603 0.362 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 11.848 -1.006 2.752 1.00 0.00 C HETATM 1384 C2 NAG A 178 13.196 -1.202 3.413 1.00 0.00 C HETATM 1385 C3 NAG A 178 13.509 -2.678 3.578 1.00 0.00 C HETATM 1386 C4 NAG A 178 12.355 -3.406 4.238 1.00 0.00 C HETATM 1387 C5 NAG A 178 11.051 -3.108 3.509 1.00 0.00 C HETATM 1388 C6 NAG A 178 9.838 -3.719 4.183 1.00 0.00 C HETATM 1389 C7 NAG A 178 14.968 0.396 3.065 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.020 0.980 2.134 1.00 0.00 C HETATM 1391 N2 NAG A 178 14.222 -0.593 2.589 1.00 0.00 N HETATM 1392 O3 NAG A 178 14.666 -2.821 4.385 1.00 0.00 O HETATM 1393 O4 NAG A 178 12.622 -4.820 4.177 1.00 0.00 O HETATM 1394 O5 NAG A 178 10.812 -1.698 3.451 1.00 0.00 O HETATM 1395 O6 NAG A 178 8.634 -3.270 3.579 1.00 0.00 O HETATM 1396 O7 NAG A 178 14.841 0.843 4.205 1.00 0.00 O HETATM 0 HO6 NAG A 178 8.741 -2.340 3.288 1.00 0.00 H new HETATM 0 HO3 NAG A 178 14.872 -3.773 4.496 1.00 0.00 H new HETATM 0 HN2 NAG A 178 14.371 -0.927 1.637 1.00 0.00 H new HETATM 0 H83 NAG A 178 16.722 0.199 1.843 1.00 0.00 H new HETATM 0 H82 NAG A 178 15.536 1.382 1.244 1.00 0.00 H new HETATM 0 H81 NAG A 178 16.557 1.778 2.647 1.00 0.00 H new HETATM 0 H62 NAG A 178 9.895 -4.806 4.123 1.00 0.00 H new HETATM 0 H61 NAG A 178 9.837 -3.458 5.241 1.00 0.00 H new HETATM 0 H5 NAG A 178 11.176 -3.542 2.517 1.00 0.00 H new HETATM 0 H4 NAG A 178 12.257 -3.075 5.272 1.00 0.00 H new HETATM 0 H3 NAG A 178 13.676 -3.109 2.591 1.00 0.00 H new HETATM 0 H2 NAG A 178 13.170 -0.737 4.398 1.00 0.00 H new HETATM 1410 C1 NAG A 179 12.031 -5.623 5.139 1.00 0.00 C HETATM 1411 C2 NAG A 179 11.921 -7.035 4.602 1.00 0.00 C HETATM 1412 C3 NAG A 179 11.327 -7.939 5.657 1.00 0.00 C HETATM 1413 C4 NAG A 179 12.125 -7.855 6.939 1.00 0.00 C HETATM 1414 C5 NAG A 179 12.300 -6.412 7.390 1.00 0.00 C HETATM 1415 C6 NAG A 179 13.263 -6.284 8.554 1.00 0.00 C HETATM 1416 C7 NAG A 179 9.944 -7.722 3.345 1.00 0.00 C HETATM 1417 C8 NAG A 179 9.174 -7.662 2.035 1.00 0.00 C HETATM 1418 N2 NAG A 179 11.082 -7.028 3.409 1.00 0.00 N HETATM 1419 O3 NAG A 179 11.345 -9.279 5.188 1.00 0.00 O HETATM 1420 O4 NAG A 179 11.407 -8.559 7.957 1.00 0.00 O HETATM 1421 O5 NAG A 179 12.829 -5.579 6.328 1.00 0.00 O HETATM 1422 O6 NAG A 179 14.562 -6.737 8.204 1.00 0.00 O HETATM 1423 O7 NAG A 179 9.500 -8.388 4.277 1.00 0.00 O HETATM 0 HO6 NAG A 179 14.700 -6.622 7.241 1.00 0.00 H new HETATM 0 HO3 NAG A 179 10.462 -9.514 4.835 1.00 0.00 H new HETATM 0 HN2 NAG A 179 11.373 -6.477 2.601 1.00 0.00 H new HETATM 0 H83 NAG A 179 8.900 -6.629 1.821 1.00 0.00 H new HETATM 0 H82 NAG A 179 9.798 -8.047 1.228 1.00 0.00 H new HETATM 0 H81 NAG A 179 8.271 -8.267 2.116 1.00 0.00 H new HETATM 0 H62 NAG A 179 13.313 -5.243 8.874 1.00 0.00 H new HETATM 0 H61 NAG A 179 12.891 -6.860 9.401 1.00 0.00 H new HETATM 0 H5 NAG A 179 11.302 -6.086 7.684 1.00 0.00 H new HETATM 0 H4 NAG A 179 13.111 -8.287 6.766 1.00 0.00 H new HETATM 0 H3 NAG A 179 10.303 -7.621 5.855 1.00 0.00 H new HETATM 0 H2 NAG A 179 12.911 -7.409 4.342 1.00 0.00 H new HETATM 1437 C1 BMA A 180 12.124 -9.463 8.704 1.00 0.00 C HETATM 1438 C2 BMA A 180 11.268 -9.936 9.858 1.00 0.00 C HETATM 1439 C3 BMA A 180 11.989 -11.016 10.645 1.00 0.00 C HETATM 1440 C4 BMA A 180 12.446 -12.131 9.714 1.00 0.00 C HETATM 1441 C5 BMA A 180 13.248 -11.558 8.549 1.00 0.00 C HETATM 1442 C6 BMA A 180 13.617 -12.590 7.511 1.00 0.00 C HETATM 1443 O2 BMA A 180 10.052 -10.464 9.345 1.00 0.00 O HETATM 1444 O3 BMA A 180 11.091 -11.558 11.636 1.00 0.00 O HETATM 1445 O4 BMA A 180 13.265 -13.037 10.440 1.00 0.00 O HETATM 1446 O5 BMA A 180 12.501 -10.545 7.852 1.00 0.00 O HETATM 1447 O6 BMA A 180 14.249 -11.927 6.400 1.00 0.00 O HETATM 0 HO4 BMA A 180 13.430 -13.836 9.897 1.00 0.00 H new HETATM 0 HO2 BMA A 180 9.795 -9.969 8.539 1.00 0.00 H new HETATM 0 H62 BMA A 180 14.290 -13.332 7.940 1.00 0.00 H new HETATM 0 H61 BMA A 180 12.727 -13.123 7.176 1.00 0.00 H new HETATM 0 H5 BMA A 180 14.151 -11.157 9.010 1.00 0.00 H new HETATM 0 H4 BMA A 180 11.569 -12.645 9.321 1.00 0.00 H new HETATM 0 H3 BMA A 180 12.863 -10.581 11.131 1.00 0.00 H new HETATM 0 H2 BMA A 180 11.065 -9.094 10.520 1.00 0.00 H new HETATM 1457 C1 MAN A 181 11.119 -10.904 12.874 1.00 0.00 C HETATM 1458 C2 MAN A 181 10.190 -11.637 13.838 1.00 0.00 C HETATM 1459 C3 MAN A 181 8.734 -11.451 13.434 1.00 0.00 C HETATM 1460 C4 MAN A 181 8.412 -9.974 13.282 1.00 0.00 C HETATM 1461 C5 MAN A 181 9.390 -9.315 12.319 1.00 0.00 C HETATM 1462 C6 MAN A 181 9.191 -7.814 12.227 1.00 0.00 C HETATM 1463 O2 MAN A 181 10.374 -11.103 15.163 1.00 0.00 O HETATM 1464 O3 MAN A 181 7.896 -12.011 14.435 1.00 0.00 O HETATM 1465 O4 MAN A 181 7.091 -9.835 12.778 1.00 0.00 O HETATM 1466 O5 MAN A 181 10.749 -9.530 12.742 1.00 0.00 O HETATM 1467 O6 MAN A 181 10.083 -7.232 11.288 1.00 0.00 O HETATM 0 HO6 MAN A 181 9.931 -6.265 11.249 1.00 0.00 H new HETATM 0 HO4 MAN A 181 6.759 -8.934 12.974 1.00 0.00 H new HETATM 0 HO3 MAN A 181 8.448 -12.448 15.117 1.00 0.00 H new HETATM 0 H62 MAN A 181 8.163 -7.598 11.937 1.00 0.00 H new HETATM 0 H61 MAN A 181 9.347 -7.364 13.207 1.00 0.00 H new HETATM 0 H5 MAN A 181 9.199 -9.772 11.348 1.00 0.00 H new HETATM 0 H4 MAN A 181 8.495 -9.490 14.255 1.00 0.00 H new HETATM 0 H3 MAN A 181 8.565 -11.951 12.480 1.00 0.00 H new HETATM 0 H2 MAN A 181 10.430 -12.700 13.813 1.00 0.00 H new HETATM 1478 C1 MAN A 182 14.684 -12.831 5.436 1.00 0.00 C HETATM 1479 C2 MAN A 182 15.482 -12.071 4.384 1.00 0.00 C HETATM 1480 C3 MAN A 182 14.576 -11.162 3.568 1.00 0.00 C HETATM 1481 C4 MAN A 182 13.410 -11.950 3.001 1.00 0.00 C HETATM 1482 C5 MAN A 182 12.679 -12.689 4.112 1.00 0.00 C HETATM 1483 C6 MAN A 182 11.584 -13.591 3.579 1.00 0.00 C HETATM 1484 O2 MAN A 182 16.104 -13.015 3.499 1.00 0.00 O HETATM 1485 O3 MAN A 182 15.323 -10.599 2.501 1.00 0.00 O HETATM 1486 O4 MAN A 182 12.511 -11.056 2.360 1.00 0.00 O HETATM 1487 O5 MAN A 182 13.587 -13.529 4.851 1.00 0.00 O HETATM 1488 O6 MAN A 182 10.600 -12.846 2.878 1.00 0.00 O HETATM 0 HO6 MAN A 182 10.940 -11.945 2.696 1.00 0.00 H new HETATM 0 HO4 MAN A 182 13.016 -10.328 1.942 1.00 0.00 H new HETATM 0 HO3 MAN A 182 16.060 -11.200 2.265 1.00 0.00 H new HETATM 0 H62 MAN A 182 12.017 -14.340 2.916 1.00 0.00 H new HETATM 0 H61 MAN A 182 11.117 -14.128 4.405 1.00 0.00 H new HETATM 0 H5 MAN A 182 12.246 -11.916 4.747 1.00 0.00 H new HETATM 0 H4 MAN A 182 13.789 -12.678 2.284 1.00 0.00 H new HETATM 0 H3 MAN A 182 14.189 -10.373 4.213 1.00 0.00 H new HETATM 0 H2 MAN A 182 16.231 -11.461 4.889 1.00 0.00 H new HETATM 1499 C1 NAG A 183 17.455 -13.237 3.690 1.00 0.00 C HETATM 1500 C2 NAG A 183 17.943 -14.261 2.669 1.00 0.00 C HETATM 1501 C3 NAG A 183 19.434 -14.485 2.844 1.00 0.00 C HETATM 1502 C4 NAG A 183 20.174 -13.164 2.764 1.00 0.00 C HETATM 1503 C5 NAG A 183 19.561 -12.144 3.717 1.00 0.00 C HETATM 1504 C6 NAG A 183 20.160 -10.762 3.550 1.00 0.00 C HETATM 1505 C7 NAG A 183 17.811 -16.575 3.386 1.00 0.00 C HETATM 1506 C8 NAG A 183 16.907 -17.663 3.932 1.00 0.00 C HETATM 1507 N2 NAG A 183 17.211 -15.503 2.872 1.00 0.00 N HETATM 1508 O3 NAG A 183 19.901 -15.347 1.818 1.00 0.00 O HETATM 1509 O4 NAG A 183 21.551 -13.378 3.130 1.00 0.00 O HETATM 1510 O5 NAG A 183 18.144 -12.008 3.493 1.00 0.00 O HETATM 1511 O6 NAG A 183 21.555 -10.768 3.819 1.00 0.00 O HETATM 1512 O7 NAG A 183 19.031 -16.720 3.423 1.00 0.00 O HETATM 0 HO6 NAG A 183 21.915 -9.864 3.702 1.00 0.00 H new HETATM 0 HO3 NAG A 183 19.907 -16.271 2.145 1.00 0.00 H new HETATM 0 HN2 NAG A 183 16.225 -15.553 2.617 1.00 0.00 H new HETATM 0 H83 NAG A 183 16.291 -17.256 4.733 1.00 0.00 H new HETATM 0 H82 NAG A 183 16.265 -18.037 3.134 1.00 0.00 H new HETATM 0 H81 NAG A 183 17.515 -18.480 4.321 1.00 0.00 H new HETATM 0 H62 NAG A 183 19.985 -10.408 2.534 1.00 0.00 H new HETATM 0 H61 NAG A 183 19.661 -10.063 4.222 1.00 0.00 H new HETATM 0 H5 NAG A 183 19.770 -12.523 4.717 1.00 0.00 H new HETATM 0 H4 NAG A 183 20.102 -12.781 1.746 1.00 0.00 H new HETATM 0 H3 NAG A 183 19.615 -14.936 3.820 1.00 0.00 H new HETATM 0 H2 NAG A 183 17.768 -13.899 1.656 1.00 0.00 H new HETATM 1526 C1 NAG A 184 10.940 -11.950 16.104 1.00 0.00 C HETATM 1527 C2 NAG A 184 10.850 -11.297 17.483 1.00 0.00 C HETATM 1528 C3 NAG A 184 11.368 -12.241 18.550 1.00 0.00 C HETATM 1529 C4 NAG A 184 10.657 -13.575 18.466 1.00 0.00 C HETATM 1530 C5 NAG A 184 10.727 -14.129 17.048 1.00 0.00 C HETATM 1531 C6 NAG A 184 9.908 -15.393 16.882 1.00 0.00 C HETATM 1532 C7 NAG A 184 12.945 -10.139 17.227 1.00 0.00 C HETATM 1533 C8 NAG A 184 13.712 -8.825 17.226 1.00 0.00 C HETATM 1534 N2 NAG A 184 11.644 -10.086 17.491 1.00 0.00 N HETATM 1535 O3 NAG A 184 11.138 -11.670 19.830 1.00 0.00 O HETATM 1536 O4 NAG A 184 11.297 -14.499 19.368 1.00 0.00 O HETATM 1537 O5 NAG A 184 10.215 -13.178 16.092 1.00 0.00 O HETATM 1538 O6 NAG A 184 8.542 -15.165 17.193 1.00 0.00 O HETATM 1539 O7 NAG A 184 13.536 -11.193 16.987 1.00 0.00 O HETATM 0 HO6 NAG A 184 8.414 -15.217 18.163 1.00 0.00 H new HETATM 0 HO3 NAG A 184 11.607 -12.195 20.512 1.00 0.00 H new HETATM 0 HN2 NAG A 184 11.203 -9.190 17.700 1.00 0.00 H new HETATM 0 H83 NAG A 184 13.291 -8.159 16.473 1.00 0.00 H new HETATM 0 H82 NAG A 184 13.635 -8.358 18.208 1.00 0.00 H new HETATM 0 H81 NAG A 184 14.760 -9.016 16.996 1.00 0.00 H new HETATM 0 H62 NAG A 184 9.995 -15.754 15.857 1.00 0.00 H new HETATM 0 H61 NAG A 184 10.305 -16.174 17.530 1.00 0.00 H new HETATM 0 H5 NAG A 184 11.782 -14.340 16.871 1.00 0.00 H new HETATM 0 H4 NAG A 184 9.610 -13.440 18.738 1.00 0.00 H new HETATM 0 H3 NAG A 184 12.435 -12.399 18.394 1.00 0.00 H new HETATM 0 H2 NAG A 184 9.807 -11.062 17.695 1.00 0.00 H new HETATM 1553 C1 GAL A 185 10.660 -14.732 20.578 1.00 0.00 C HETATM 1554 C2 GAL A 185 9.417 -15.584 20.353 1.00 0.00 C HETATM 1555 C3 GAL A 185 8.785 -15.970 21.680 1.00 0.00 C HETATM 1556 C4 GAL A 185 9.819 -16.583 22.611 1.00 0.00 C HETATM 1557 C5 GAL A 185 11.036 -15.678 22.731 1.00 0.00 C HETATM 1558 C6 GAL A 185 12.148 -16.301 23.552 1.00 0.00 C HETATM 1559 O2 GAL A 185 8.475 -14.841 19.593 1.00 0.00 O HETATM 1560 O3 GAL A 185 7.755 -16.917 21.442 1.00 0.00 O HETATM 1561 O4 GAL A 185 10.222 -17.842 22.094 1.00 0.00 O HETATM 1562 O5 GAL A 185 11.594 -15.394 21.436 1.00 0.00 O HETATM 1563 O6 GAL A 185 11.742 -16.516 24.895 1.00 0.00 O HETATM 0 HO6 GAL A 185 12.479 -16.920 25.399 1.00 0.00 H new HETATM 0 HO4 GAL A 185 11.000 -17.722 21.511 1.00 0.00 H new HETATM 0 HO3 GAL A 185 8.134 -17.821 21.444 1.00 0.00 H new HETATM 0 HO2 GAL A 185 8.231 -14.027 20.081 1.00 0.00 H new HETATM 0 H62 GAL A 185 12.446 -17.249 23.104 1.00 0.00 H new HETATM 0 H61 GAL A 185 13.023 -15.651 23.534 1.00 0.00 H new HETATM 0 H5 GAL A 185 10.676 -14.773 23.221 1.00 0.00 H new HETATM 0 H4 GAL A 185 9.375 -16.705 23.599 1.00 0.00 H new HETATM 0 H3 GAL A 185 8.379 -15.074 22.150 1.00 0.00 H new HETATM 0 H2 GAL A 185 9.705 -16.491 19.821 1.00 0.00 H new HETATM 1575 C1 GAL A 186 22.495 -13.091 2.160 1.00 0.00 C HETATM 1576 C2 GAL A 186 23.889 -13.335 2.720 1.00 0.00 C HETATM 1577 C3 GAL A 186 24.939 -13.150 1.640 1.00 0.00 C HETATM 1578 C4 GAL A 186 24.598 -13.984 0.419 1.00 0.00 C HETATM 1579 C5 GAL A 186 23.175 -13.705 -0.042 1.00 0.00 C HETATM 1580 C6 GAL A 186 22.751 -14.604 -1.185 1.00 0.00 C HETATM 1581 O2 GAL A 186 24.137 -12.411 3.770 1.00 0.00 O HETATM 1582 O3 GAL A 186 26.203 -13.557 2.146 1.00 0.00 O HETATM 1583 O4 GAL A 186 24.720 -15.359 0.750 1.00 0.00 O HETATM 1584 O5 GAL A 186 22.234 -13.926 1.027 1.00 0.00 O HETATM 1585 O6 GAL A 186 22.814 -15.973 -0.816 1.00 0.00 O HETATM 0 HO6 GAL A 186 22.534 -16.529 -1.573 1.00 0.00 H new HETATM 0 HO4 GAL A 186 23.883 -15.822 0.539 1.00 0.00 H new HETATM 0 HO3 GAL A 186 26.381 -14.482 1.876 1.00 0.00 H new HETATM 0 HO2 GAL A 186 23.362 -11.821 3.877 1.00 0.00 H new HETATM 0 H62 GAL A 186 21.735 -14.354 -1.489 1.00 0.00 H new HETATM 0 H61 GAL A 186 23.394 -14.428 -2.047 1.00 0.00 H new HETATM 0 H5 GAL A 186 23.172 -12.664 -0.367 1.00 0.00 H new HETATM 0 H4 GAL A 186 25.284 -13.725 -0.388 1.00 0.00 H new HETATM 0 H3 GAL A 186 24.969 -12.099 1.351 1.00 0.00 H new HETATM 0 H2 GAL A 186 23.943 -14.358 3.093 1.00 0.00 H new