USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=47 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 180 BMA O4 : rot 100:sc= -1.99! USER MOD Set 1.2: A 182 MAN O6 : rot 46:sc= 0.0502 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= -0.345 USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= -0.115 USER MOD Set 3.1: A 55 SER OG : rot 180:sc= -0.07 USER MOD Set 3.2: A 57 SER OG : rot -5:sc= 0.763 USER MOD Set 4.1: A 13 GLN : amide:sc= -0.218 K(o=-0.53,f=-5.2!) USER MOD Set 4.2: A 29 MET CE :methyl -128:sc= -0.316 (180deg=-0.0103) USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.0294 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 11 THR OG1 : rot 49:sc= -1.33! USER MOD Single : A 15 ASN : amide:sc= -14.5! C(o=-14!,f=-25!) USER MOD Single : A 19 SER OG : rot 85:sc= 0.455 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 27 GLN : amide:sc= -0.825 K(o=-0.82,f=-0.16) USER MOD Single : A 34 SER OG : rot 66:sc= 1.25 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 130:sc= 0.137! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.671! USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0114 K(o=-0.011,f=-0.73) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.68! C(o=-3.7!,f=-2.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.272! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.491 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.692 K(o=-0.69,f=-2.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -138:sc= -0.371 (180deg=-2.46!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -11.8! C(o=-12!,f=-18!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 83 HIS : no HD1:sc= -8.52! C(o=-8.5!,f=-9.7!) 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= -2.66! K(o=-2.7!,f=-1.8) 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 180:sc= -0.0153 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot -31:sc= 0.0457 USER MOD Single : A 180 BMA O2 : rot 143:sc= 0.0971 USER MOD Single : A 181 MAN O3 : rot -10:sc= 1.12 USER MOD Single : A 181 MAN O4 : rot -153:sc= 1.07 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.925 USER MOD Single : A 182 MAN O3 : rot 35:sc= 0.11 USER MOD Single : A 182 MAN O4 : rot 37:sc= 0.00539 USER MOD Single : A 183 NAG O3 : rot 180:sc= 0 USER MOD Single : A 183 NAG O6 : rot 25:sc= -1.36! USER MOD Single : A 184 NAG O3 : rot 180:sc= 0 USER MOD Single : A 184 NAG O6 : rot -33:sc= 0.022 USER MOD Single : A 185 GAL O2 : rot 174:sc= -5.78! USER MOD Single : A 185 GAL O3 : rot 96:sc= 0.0722 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0784 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O2 : rot -152:sc= -5.4! USER MOD Single : A 186 GAL O3 : rot 95:sc= 0.0672 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0631 USER MOD Single : A 186 GAL O6 : rot -29:sc= 0.0468 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.179 -9.766 -18.119 1.00 0.00 N ATOM 2 CA ALA A 1 11.796 -9.542 -16.700 1.00 0.00 C ATOM 3 C ALA A 1 10.327 -9.880 -16.472 1.00 0.00 C ATOM 4 O ALA A 1 9.491 -9.690 -17.354 1.00 0.00 O ATOM 5 CB ALA A 1 12.075 -8.102 -16.300 1.00 0.00 C ATOM 0 H1 ALA A 1 12.698 -8.937 -18.473 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.785 -10.609 -18.186 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.322 -9.909 -18.691 1.00 0.00 H new ATOM 0 HA ALA A 1 12.397 -10.204 -16.076 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.790 -7.952 -15.259 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.138 -7.891 -16.419 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.498 -7.430 -16.935 1.00 0.00 H new ATOM 13 N PRO A 2 9.998 -10.389 -15.276 1.00 0.00 N ATOM 14 CA PRO A 2 8.626 -10.758 -14.922 1.00 0.00 C ATOM 15 C PRO A 2 7.773 -9.543 -14.573 1.00 0.00 C ATOM 16 O PRO A 2 7.809 -9.050 -13.446 1.00 0.00 O ATOM 17 CB PRO A 2 8.817 -11.645 -13.694 1.00 0.00 C ATOM 18 CG PRO A 2 10.057 -11.125 -13.051 1.00 0.00 C ATOM 19 CD PRO A 2 10.942 -10.645 -14.173 1.00 0.00 C ATOM 0 HA PRO A 2 8.103 -11.245 -15.745 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.963 -11.580 -13.020 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.924 -12.693 -13.973 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.827 -10.313 -12.362 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.551 -11.905 -12.471 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.488 -9.743 -13.895 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.684 -11.395 -14.447 1.00 0.00 H new ATOM 27 N ASP A 3 7.005 -9.065 -15.545 1.00 0.00 N ATOM 28 CA ASP A 3 6.142 -7.909 -15.335 1.00 0.00 C ATOM 29 C ASP A 3 4.684 -8.270 -15.591 1.00 0.00 C ATOM 30 O ASP A 3 4.386 -9.297 -16.200 1.00 0.00 O ATOM 31 CB ASP A 3 6.563 -6.752 -16.245 1.00 0.00 C ATOM 32 CG ASP A 3 7.206 -5.615 -15.474 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.510 -4.984 -14.653 1.00 0.00 O ATOM 34 OD2 ASP A 3 8.408 -5.354 -15.695 1.00 0.00 O ATOM 0 H ASP A 3 6.962 -9.459 -16.485 1.00 0.00 H new ATOM 0 HA ASP A 3 6.245 -7.595 -14.296 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.263 -7.120 -16.996 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.690 -6.377 -16.779 1.00 0.00 H new ATOM 39 N VAL A 4 3.781 -7.421 -15.119 1.00 0.00 N ATOM 40 CA VAL A 4 2.354 -7.649 -15.292 1.00 0.00 C ATOM 41 C VAL A 4 1.671 -6.432 -15.908 1.00 0.00 C ATOM 42 O VAL A 4 0.903 -5.738 -15.242 1.00 0.00 O ATOM 43 CB VAL A 4 1.675 -7.978 -13.948 1.00 0.00 C ATOM 44 CG1 VAL A 4 1.619 -9.483 -13.734 1.00 0.00 C ATOM 45 CG2 VAL A 4 2.403 -7.295 -12.799 1.00 0.00 C ATOM 0 H VAL A 4 4.013 -6.567 -14.612 1.00 0.00 H new ATOM 0 HA VAL A 4 2.248 -8.499 -15.966 1.00 0.00 H new ATOM 0 HB VAL A 4 0.653 -7.599 -13.975 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.137 -9.697 -12.780 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.049 -9.944 -14.541 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.631 -9.887 -13.727 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.909 -7.539 -11.859 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.436 -7.641 -12.766 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.386 -6.215 -12.948 1.00 0.00 H new ATOM 55 N GLN A 5 1.953 -6.180 -17.184 1.00 0.00 N ATOM 56 CA GLN A 5 1.360 -5.047 -17.888 1.00 0.00 C ATOM 57 C GLN A 5 -0.152 -5.209 -17.993 1.00 0.00 C ATOM 58 O GLN A 5 -0.699 -5.335 -19.089 1.00 0.00 O ATOM 59 CB GLN A 5 1.968 -4.906 -19.286 1.00 0.00 C ATOM 60 CG GLN A 5 1.791 -6.141 -20.154 1.00 0.00 C ATOM 61 CD GLN A 5 2.346 -5.954 -21.553 1.00 0.00 C ATOM 62 OE1 GLN A 5 3.235 -5.131 -21.775 1.00 0.00 O ATOM 63 NE2 GLN A 5 1.826 -6.719 -22.506 1.00 0.00 N ATOM 0 H GLN A 5 2.587 -6.744 -17.750 1.00 0.00 H new ATOM 0 HA GLN A 5 1.576 -4.144 -17.317 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.512 -4.052 -19.787 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.032 -4.689 -19.190 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.287 -6.988 -19.680 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.731 -6.387 -20.217 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.091 -7.388 -22.278 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.162 -6.637 -23.466 1.00 0.00 H new ATOM 72 N ASP A 6 -0.822 -5.210 -16.846 1.00 0.00 N ATOM 73 CA ASP A 6 -2.270 -5.361 -16.807 1.00 0.00 C ATOM 74 C ASP A 6 -2.787 -5.267 -15.375 1.00 0.00 C ATOM 75 O ASP A 6 -2.686 -6.222 -14.605 1.00 0.00 O ATOM 76 CB ASP A 6 -2.680 -6.702 -17.421 1.00 0.00 C ATOM 77 CG ASP A 6 -1.775 -7.839 -16.984 1.00 0.00 C ATOM 78 OD1 ASP A 6 -0.761 -7.563 -16.307 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.079 -9.002 -17.318 1.00 0.00 O ATOM 0 H ASP A 6 -0.384 -5.108 -15.930 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.711 -4.552 -17.389 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.708 -6.929 -17.137 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.660 -6.622 -18.508 1.00 0.00 H new ATOM 84 N CYS A 7 -3.339 -4.111 -15.027 1.00 0.00 N ATOM 85 CA CYS A 7 -3.874 -3.889 -13.687 1.00 0.00 C ATOM 86 C CYS A 7 -3.052 -4.629 -12.638 1.00 0.00 C ATOM 87 O CYS A 7 -3.570 -5.480 -11.916 1.00 0.00 O ATOM 88 CB CYS A 7 -5.332 -4.349 -13.613 1.00 0.00 C ATOM 89 SG CYS A 7 -6.480 -3.087 -12.970 1.00 0.00 S ATOM 0 H CYS A 7 -3.428 -3.311 -15.654 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.821 -2.820 -13.480 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.658 -4.648 -14.609 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.391 -5.234 -12.980 1.00 0.00 H new ATOM 94 N PRO A 8 -1.756 -4.304 -12.534 1.00 0.00 N ATOM 95 CA PRO A 8 -0.866 -4.936 -11.559 1.00 0.00 C ATOM 96 C PRO A 8 -1.421 -4.834 -10.144 1.00 0.00 C ATOM 97 O PRO A 8 -1.424 -3.760 -9.548 1.00 0.00 O ATOM 98 CB PRO A 8 0.436 -4.138 -11.687 1.00 0.00 C ATOM 99 CG PRO A 8 0.388 -3.548 -13.054 1.00 0.00 C ATOM 100 CD PRO A 8 -1.064 -3.292 -13.348 1.00 0.00 C ATOM 0 HA PRO A 8 -0.738 -6.002 -11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.501 -3.363 -10.924 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.308 -4.781 -11.564 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.964 -2.623 -13.100 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.820 -4.229 -13.788 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.359 -2.280 -13.069 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.286 -3.408 -14.409 1.00 0.00 H new ATOM 108 N GLU A 9 -1.900 -5.954 -9.617 1.00 0.00 N ATOM 109 CA GLU A 9 -2.467 -5.989 -8.273 1.00 0.00 C ATOM 110 C GLU A 9 -1.844 -4.920 -7.377 1.00 0.00 C ATOM 111 O GLU A 9 -0.645 -4.954 -7.095 1.00 0.00 O ATOM 112 CB GLU A 9 -2.265 -7.372 -7.653 1.00 0.00 C ATOM 113 CG GLU A 9 -3.393 -7.793 -6.726 1.00 0.00 C ATOM 114 CD GLU A 9 -3.091 -9.084 -5.995 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.455 -9.025 -4.923 1.00 0.00 O ATOM 116 OE2 GLU A 9 -3.491 -10.157 -6.496 1.00 0.00 O ATOM 0 H GLU A 9 -1.907 -6.852 -10.100 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.534 -5.781 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.168 -8.108 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.327 -7.379 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.576 -7.002 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.309 -7.912 -7.305 1.00 0.00 H new ATOM 123 N CYS A 10 -2.666 -3.972 -6.932 1.00 0.00 N ATOM 124 CA CYS A 10 -2.193 -2.894 -6.067 1.00 0.00 C ATOM 125 C CYS A 10 -1.359 -3.453 -4.923 1.00 0.00 C ATOM 126 O CYS A 10 -1.847 -4.245 -4.117 1.00 0.00 O ATOM 127 CB CYS A 10 -3.376 -2.096 -5.512 1.00 0.00 C ATOM 128 SG CYS A 10 -3.003 -0.341 -5.190 1.00 0.00 S ATOM 0 H CYS A 10 -3.660 -3.928 -7.155 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.568 -2.228 -6.662 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.205 -2.157 -6.217 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.712 -2.561 -4.585 1.00 0.00 H new ATOM 133 N THR A 11 -0.095 -3.046 -4.859 1.00 0.00 N ATOM 134 CA THR A 11 0.798 -3.524 -3.812 1.00 0.00 C ATOM 135 C THR A 11 2.212 -2.992 -4.008 1.00 0.00 C ATOM 136 O THR A 11 2.575 -2.555 -5.101 1.00 0.00 O ATOM 137 CB THR A 11 0.829 -5.052 -3.815 1.00 0.00 C ATOM 138 OG1 THR A 11 0.173 -5.563 -4.961 1.00 0.00 O ATOM 139 CG2 THR A 11 0.179 -5.670 -2.600 1.00 0.00 C ATOM 0 H THR A 11 0.331 -2.391 -5.515 1.00 0.00 H new ATOM 0 HA THR A 11 0.420 -3.161 -2.856 1.00 0.00 H new ATOM 0 HB THR A 11 1.886 -5.318 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.508 -5.106 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.237 -6.756 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.696 -5.335 -1.701 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.866 -5.365 -2.552 1.00 0.00 H new ATOM 147 N LEU A 12 3.012 -3.048 -2.948 1.00 0.00 N ATOM 148 CA LEU A 12 4.391 -2.592 -3.018 1.00 0.00 C ATOM 149 C LEU A 12 5.112 -3.298 -4.144 1.00 0.00 C ATOM 150 O LEU A 12 5.047 -4.522 -4.263 1.00 0.00 O ATOM 151 CB LEU A 12 5.115 -2.860 -1.709 1.00 0.00 C ATOM 152 CG LEU A 12 4.903 -1.810 -0.626 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.601 -2.064 0.111 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.070 -1.829 0.335 1.00 0.00 C ATOM 0 H LEU A 12 2.728 -3.403 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 12 4.385 -1.518 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.791 -3.827 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.183 -2.939 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 12 4.843 -0.826 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.465 -1.305 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.770 -2.020 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.632 -3.050 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.916 -1.077 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.146 -2.814 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.990 -1.610 -0.206 1.00 0.00 H new ATOM 166 N GLN A 13 5.796 -2.534 -4.977 1.00 0.00 N ATOM 167 CA GLN A 13 6.512 -3.127 -6.083 1.00 0.00 C ATOM 168 C GLN A 13 7.953 -2.690 -6.113 1.00 0.00 C ATOM 169 O GLN A 13 8.429 -2.055 -7.053 1.00 0.00 O ATOM 170 CB GLN A 13 5.817 -2.820 -7.379 1.00 0.00 C ATOM 171 CG GLN A 13 4.353 -3.211 -7.341 1.00 0.00 C ATOM 172 CD GLN A 13 4.011 -4.341 -8.296 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.309 -4.274 -9.488 1.00 0.00 O ATOM 174 NE2 GLN A 13 3.378 -5.386 -7.771 1.00 0.00 N ATOM 0 H GLN A 13 5.868 -1.519 -4.908 1.00 0.00 H new ATOM 0 HA GLN A 13 6.514 -4.208 -5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.903 -1.755 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.313 -3.350 -8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.089 -3.509 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.745 -2.340 -7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.151 -5.398 -6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.119 -6.176 -8.363 1.00 0.00 H new ATOM 183 N GLU A 14 8.606 -3.066 -5.046 1.00 0.00 N ATOM 184 CA GLU A 14 10.020 -2.788 -4.813 1.00 0.00 C ATOM 185 C GLU A 14 10.609 -1.881 -5.872 1.00 0.00 C ATOM 186 O GLU A 14 10.535 -2.156 -7.067 1.00 0.00 O ATOM 187 CB GLU A 14 10.827 -4.079 -4.758 1.00 0.00 C ATOM 188 CG GLU A 14 11.851 -4.108 -3.634 1.00 0.00 C ATOM 189 CD GLU A 14 11.993 -5.486 -3.019 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.018 -6.476 -3.781 1.00 0.00 O ATOM 191 OE2 GLU A 14 12.080 -5.576 -1.777 1.00 0.00 O ATOM 0 H GLU A 14 8.168 -3.589 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 14 10.078 -2.276 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.144 -4.920 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.340 -4.218 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.818 -3.783 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.559 -3.396 -2.862 1.00 0.00 H new ATOM 198 N ASN A 15 11.205 -0.805 -5.409 1.00 0.00 N ATOM 199 CA ASN A 15 11.827 0.169 -6.280 1.00 0.00 C ATOM 200 C ASN A 15 12.873 -0.464 -7.182 1.00 0.00 C ATOM 201 O ASN A 15 14.014 -0.668 -6.766 1.00 0.00 O ATOM 202 CB ASN A 15 12.475 1.274 -5.462 1.00 0.00 C ATOM 203 CG ASN A 15 12.146 2.648 -6.003 1.00 0.00 C ATOM 204 OD1 ASN A 15 12.991 3.314 -6.599 1.00 0.00 O ATOM 205 ND2 ASN A 15 10.909 3.077 -5.802 1.00 0.00 N ATOM 0 H ASN A 15 11.273 -0.580 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 15 11.040 0.586 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.141 1.202 -4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.556 1.135 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.625 3.994 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.241 2.491 -5.302 1.00 0.00 H new ATOM 212 N PRO A 16 12.524 -0.737 -8.447 1.00 0.00 N ATOM 213 CA PRO A 16 13.475 -1.291 -9.402 1.00 0.00 C ATOM 214 C PRO A 16 14.465 -0.214 -9.807 1.00 0.00 C ATOM 215 O PRO A 16 15.318 -0.404 -10.673 1.00 0.00 O ATOM 216 CB PRO A 16 12.594 -1.712 -10.577 1.00 0.00 C ATOM 217 CG PRO A 16 11.424 -0.791 -10.516 1.00 0.00 C ATOM 218 CD PRO A 16 11.208 -0.477 -9.058 1.00 0.00 C ATOM 0 HA PRO A 16 14.064 -2.122 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.124 -1.617 -11.525 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.284 -2.753 -10.488 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.615 0.119 -11.085 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.539 -1.258 -10.948 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.896 0.557 -8.913 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.433 -1.108 -8.623 1.00 0.00 H new ATOM 226 N PHE A 17 14.314 0.925 -9.146 1.00 0.00 N ATOM 227 CA PHE A 17 15.144 2.092 -9.369 1.00 0.00 C ATOM 228 C PHE A 17 16.123 2.275 -8.215 1.00 0.00 C ATOM 229 O PHE A 17 17.337 2.302 -8.409 1.00 0.00 O ATOM 230 CB PHE A 17 14.249 3.325 -9.482 1.00 0.00 C ATOM 231 CG PHE A 17 14.994 4.583 -9.802 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.342 4.542 -10.114 1.00 0.00 C ATOM 233 CD2 PHE A 17 14.343 5.804 -9.798 1.00 0.00 C ATOM 234 CE1 PHE A 17 17.029 5.700 -10.417 1.00 0.00 C ATOM 235 CE2 PHE A 17 15.024 6.967 -10.102 1.00 0.00 C ATOM 236 CZ PHE A 17 16.369 6.915 -10.413 1.00 0.00 C ATOM 0 H PHE A 17 13.600 1.063 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 17 15.712 1.958 -10.290 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.501 3.150 -10.255 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.712 3.460 -8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.861 3.595 -10.120 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.292 5.848 -9.555 1.00 0.00 H new ATOM 0 HE1 PHE A 17 18.081 5.657 -10.657 1.00 0.00 H new ATOM 0 HE2 PHE A 17 14.506 7.915 -10.097 1.00 0.00 H new ATOM 0 HZ PHE A 17 16.904 7.822 -10.653 1.00 0.00 H new ATOM 246 N PHE A 18 15.572 2.401 -7.012 1.00 0.00 N ATOM 247 CA PHE A 18 16.371 2.581 -5.807 1.00 0.00 C ATOM 248 C PHE A 18 16.895 1.242 -5.306 1.00 0.00 C ATOM 249 O PHE A 18 17.585 1.171 -4.289 1.00 0.00 O ATOM 250 CB PHE A 18 15.527 3.265 -4.729 1.00 0.00 C ATOM 251 CG PHE A 18 14.783 4.459 -5.251 1.00 0.00 C ATOM 252 CD1 PHE A 18 15.236 5.108 -6.381 1.00 0.00 C ATOM 253 CD2 PHE A 18 13.640 4.927 -4.622 1.00 0.00 C ATOM 254 CE1 PHE A 18 14.571 6.209 -6.882 1.00 0.00 C ATOM 255 CE2 PHE A 18 12.967 6.031 -5.119 1.00 0.00 C ATOM 256 CZ PHE A 18 13.435 6.673 -6.250 1.00 0.00 C ATOM 0 H PHE A 18 14.566 2.381 -6.846 1.00 0.00 H new ATOM 0 HA PHE A 18 17.228 3.212 -6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.815 2.548 -4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.174 3.575 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.124 4.749 -6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.272 4.427 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.939 6.707 -7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.077 6.390 -4.623 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.913 7.535 -6.638 1.00 0.00 H new ATOM 266 N SER A 19 16.560 0.181 -6.032 1.00 0.00 N ATOM 267 CA SER A 19 16.991 -1.162 -5.675 1.00 0.00 C ATOM 268 C SER A 19 18.509 -1.291 -5.763 1.00 0.00 C ATOM 269 O SER A 19 19.068 -1.414 -6.852 1.00 0.00 O ATOM 270 CB SER A 19 16.328 -2.190 -6.593 1.00 0.00 C ATOM 271 OG SER A 19 15.340 -2.931 -5.900 1.00 0.00 O ATOM 0 H SER A 19 15.988 0.228 -6.875 1.00 0.00 H new ATOM 0 HA SER A 19 16.689 -1.352 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.875 -1.683 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.083 -2.868 -6.990 1.00 0.00 H new ATOM 0 HG SER A 19 14.494 -2.436 -5.908 1.00 0.00 H new ATOM 277 N GLN A 20 19.165 -1.271 -4.610 1.00 0.00 N ATOM 278 CA GLN A 20 20.618 -1.394 -4.552 1.00 0.00 C ATOM 279 C GLN A 20 21.011 -2.724 -3.919 1.00 0.00 C ATOM 280 O GLN A 20 20.197 -3.366 -3.253 1.00 0.00 O ATOM 281 CB GLN A 20 21.220 -0.235 -3.752 1.00 0.00 C ATOM 282 CG GLN A 20 20.690 1.128 -4.164 1.00 0.00 C ATOM 283 CD GLN A 20 20.817 2.162 -3.062 1.00 0.00 C ATOM 284 OE1 GLN A 20 19.824 2.566 -2.458 1.00 0.00 O ATOM 285 NE2 GLN A 20 22.044 2.598 -2.797 1.00 0.00 N ATOM 0 H GLN A 20 18.714 -1.171 -3.700 1.00 0.00 H new ATOM 0 HA GLN A 20 21.009 -1.358 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.015 -0.390 -2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.303 -0.246 -3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.232 1.473 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.642 1.035 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.839 2.235 -3.323 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.191 3.296 -2.067 1.00 0.00 H new ATOM 294 N PRO A 21 22.266 -3.159 -4.115 1.00 0.00 N ATOM 295 CA PRO A 21 22.763 -4.419 -3.554 1.00 0.00 C ATOM 296 C PRO A 21 22.697 -4.426 -2.032 1.00 0.00 C ATOM 297 O PRO A 21 23.723 -4.442 -1.353 1.00 0.00 O ATOM 298 CB PRO A 21 24.220 -4.480 -4.030 1.00 0.00 C ATOM 299 CG PRO A 21 24.569 -3.073 -4.375 1.00 0.00 C ATOM 300 CD PRO A 21 23.301 -2.458 -4.890 1.00 0.00 C ATOM 0 HA PRO A 21 22.168 -5.274 -3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.874 -4.870 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 21 24.327 -5.137 -4.893 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.939 -2.535 -3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 21 25.356 -3.038 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 21 23.275 -1.382 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 21 23.181 -2.615 -5.962 1.00 0.00 H new ATOM 308 N GLY A 22 21.478 -4.405 -1.504 1.00 0.00 N ATOM 309 CA GLY A 22 21.292 -4.401 -0.066 1.00 0.00 C ATOM 310 C GLY A 22 20.066 -3.621 0.353 1.00 0.00 C ATOM 311 O GLY A 22 19.651 -3.677 1.511 1.00 0.00 O ATOM 0 H GLY A 22 20.615 -4.391 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.205 -5.428 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.173 -3.972 0.411 1.00 0.00 H new ATOM 315 N ALA A 23 19.487 -2.886 -0.587 1.00 0.00 N ATOM 316 CA ALA A 23 18.307 -2.089 -0.298 1.00 0.00 C ATOM 317 C ALA A 23 17.388 -2.010 -1.498 1.00 0.00 C ATOM 318 O ALA A 23 17.674 -1.343 -2.493 1.00 0.00 O ATOM 319 CB ALA A 23 18.718 -0.706 0.170 1.00 0.00 C ATOM 0 H ALA A 23 19.815 -2.826 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 23 17.750 -2.576 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.828 -0.115 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.323 -0.792 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.300 -0.216 -0.611 1.00 0.00 H new ATOM 325 N PRO A 24 16.275 -2.737 -1.408 1.00 0.00 N ATOM 326 CA PRO A 24 15.274 -2.838 -2.440 1.00 0.00 C ATOM 327 C PRO A 24 14.024 -2.022 -2.141 1.00 0.00 C ATOM 328 O PRO A 24 12.985 -2.562 -1.765 1.00 0.00 O ATOM 329 CB PRO A 24 14.980 -4.334 -2.385 1.00 0.00 C ATOM 330 CG PRO A 24 15.213 -4.733 -0.950 1.00 0.00 C ATOM 331 CD PRO A 24 15.906 -3.581 -0.276 1.00 0.00 C ATOM 0 HA PRO A 24 15.600 -2.456 -3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.955 -4.545 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.634 -4.888 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.268 -4.957 -0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.823 -5.635 -0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.248 -3.062 0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.778 -3.906 0.291 1.00 0.00 H new ATOM 339 N ILE A 25 14.149 -0.717 -2.312 1.00 0.00 N ATOM 340 CA ILE A 25 13.077 0.218 -2.083 1.00 0.00 C ATOM 341 C ILE A 25 11.746 -0.233 -2.658 1.00 0.00 C ATOM 342 O ILE A 25 11.612 -1.365 -3.117 1.00 0.00 O ATOM 343 CB ILE A 25 13.490 1.564 -2.657 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.651 2.064 -1.837 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.345 2.543 -2.580 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.353 1.928 -0.370 1.00 0.00 C ATOM 0 H ILE A 25 15.016 -0.277 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 25 12.914 0.289 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 25 13.770 1.461 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.550 1.500 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.852 3.108 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.657 3.501 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.499 2.159 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.050 2.677 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.201 2.293 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.467 2.512 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.175 0.880 -0.131 1.00 0.00 H new ATOM 358 N LEU A 26 10.737 0.636 -2.561 1.00 0.00 N ATOM 359 CA LEU A 26 9.397 0.294 -2.994 1.00 0.00 C ATOM 360 C LEU A 26 8.616 1.438 -3.575 1.00 0.00 C ATOM 361 O LEU A 26 9.138 2.507 -3.882 1.00 0.00 O ATOM 362 CB LEU A 26 8.664 -0.201 -1.779 1.00 0.00 C ATOM 363 CG LEU A 26 9.613 -0.542 -0.666 1.00 0.00 C ATOM 364 CD1 LEU A 26 8.992 -0.296 0.688 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.105 -1.971 -0.796 1.00 0.00 C ATOM 0 H LEU A 26 10.831 1.580 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 26 9.489 -0.445 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.963 0.561 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.076 -1.081 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 26 10.475 0.120 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.708 -0.554 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.720 0.756 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.099 -0.912 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.791 -2.195 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.256 -2.653 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.622 -2.093 -1.748 1.00 0.00 H new ATOM 377 N GLN A 27 7.332 1.166 -3.688 1.00 0.00 N ATOM 378 CA GLN A 27 6.370 2.138 -4.203 1.00 0.00 C ATOM 379 C GLN A 27 5.048 1.482 -4.594 1.00 0.00 C ATOM 380 O GLN A 27 4.754 1.315 -5.777 1.00 0.00 O ATOM 381 CB GLN A 27 6.945 2.895 -5.401 1.00 0.00 C ATOM 382 CG GLN A 27 5.936 3.813 -6.074 1.00 0.00 C ATOM 383 CD GLN A 27 5.865 3.605 -7.574 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.801 3.734 -8.179 1.00 0.00 O ATOM 385 NE2 GLN A 27 7.000 3.279 -8.182 1.00 0.00 N ATOM 0 H GLN A 27 6.920 0.270 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 27 6.172 2.843 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.800 3.486 -5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.316 2.176 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.950 3.643 -5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.200 4.850 -5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.859 3.183 -7.641 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.012 3.125 -9.190 1.00 0.00 H new ATOM 394 N CYS A 28 4.252 1.129 -3.588 1.00 0.00 N ATOM 395 CA CYS A 28 2.947 0.506 -3.808 1.00 0.00 C ATOM 396 C CYS A 28 2.412 0.850 -5.194 1.00 0.00 C ATOM 397 O CYS A 28 1.899 1.948 -5.418 1.00 0.00 O ATOM 398 CB CYS A 28 1.948 0.958 -2.738 1.00 0.00 C ATOM 399 SG CYS A 28 2.070 0.031 -1.174 1.00 0.00 S ATOM 0 H CYS A 28 4.489 1.265 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 28 3.073 -0.574 -3.739 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.104 2.017 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.937 0.855 -3.132 1.00 0.00 H new ATOM 404 N MET A 29 2.545 -0.087 -6.125 1.00 0.00 N ATOM 405 CA MET A 29 2.086 0.126 -7.490 1.00 0.00 C ATOM 406 C MET A 29 1.016 -0.892 -7.869 1.00 0.00 C ATOM 407 O MET A 29 1.046 -2.036 -7.419 1.00 0.00 O ATOM 408 CB MET A 29 3.268 0.039 -8.462 1.00 0.00 C ATOM 409 CG MET A 29 2.958 -0.716 -9.747 1.00 0.00 C ATOM 410 SD MET A 29 4.378 -0.818 -10.855 1.00 0.00 S ATOM 411 CE MET A 29 4.024 -2.348 -11.719 1.00 0.00 C ATOM 0 H MET A 29 2.967 -1.001 -5.959 1.00 0.00 H new ATOM 0 HA MET A 29 1.646 1.121 -7.553 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.592 1.048 -8.715 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.104 -0.448 -7.959 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.622 -1.723 -9.500 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.134 -0.223 -10.263 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.893 -3.004 -11.668 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.170 -2.840 -11.253 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.793 -2.132 -12.762 1.00 0.00 H new ATOM 421 N GLY A 30 0.073 -0.466 -8.704 1.00 0.00 N ATOM 422 CA GLY A 30 -0.987 -1.355 -9.129 1.00 0.00 C ATOM 423 C GLY A 30 -2.317 -0.649 -9.299 1.00 0.00 C ATOM 424 O GLY A 30 -2.371 0.577 -9.391 1.00 0.00 O ATOM 0 H GLY A 30 0.026 0.476 -9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.706 -1.822 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.097 -2.156 -8.398 1.00 0.00 H new ATOM 428 N CYS A 31 -3.391 -1.428 -9.342 1.00 0.00 N ATOM 429 CA CYS A 31 -4.730 -0.878 -9.506 1.00 0.00 C ATOM 430 C CYS A 31 -5.668 -1.404 -8.423 1.00 0.00 C ATOM 431 O CYS A 31 -5.817 -2.614 -8.251 1.00 0.00 O ATOM 432 CB CYS A 31 -5.280 -1.230 -10.891 1.00 0.00 C ATOM 433 SG CYS A 31 -5.967 -2.914 -11.013 1.00 0.00 S ATOM 0 H CYS A 31 -3.360 -2.445 -9.265 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.668 0.206 -9.412 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.057 -0.512 -11.155 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.482 -1.121 -11.626 1.00 0.00 H new ATOM 438 N CYS A 32 -6.300 -0.488 -7.695 1.00 0.00 N ATOM 439 CA CYS A 32 -7.223 -0.864 -6.630 1.00 0.00 C ATOM 440 C CYS A 32 -8.579 -1.263 -7.205 1.00 0.00 C ATOM 441 O CYS A 32 -9.212 -0.489 -7.921 1.00 0.00 O ATOM 442 CB CYS A 32 -7.395 0.288 -5.638 1.00 0.00 C ATOM 443 SG CYS A 32 -7.946 -0.235 -3.980 1.00 0.00 S ATOM 0 H CYS A 32 -6.190 0.518 -7.823 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.802 -1.721 -6.105 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.447 0.817 -5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.117 0.997 -6.042 1.00 0.00 H new ATOM 448 N PHE A 33 -9.018 -2.474 -6.883 1.00 0.00 N ATOM 449 CA PHE A 33 -10.300 -2.977 -7.364 1.00 0.00 C ATOM 450 C PHE A 33 -11.456 -2.267 -6.665 1.00 0.00 C ATOM 451 O PHE A 33 -11.294 -1.165 -6.138 1.00 0.00 O ATOM 452 CB PHE A 33 -10.403 -4.489 -7.141 1.00 0.00 C ATOM 453 CG PHE A 33 -9.106 -5.132 -6.734 1.00 0.00 C ATOM 454 CD1 PHE A 33 -8.754 -5.222 -5.398 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.243 -5.644 -7.688 1.00 0.00 C ATOM 456 CE1 PHE A 33 -7.563 -5.812 -5.020 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.050 -6.235 -7.316 1.00 0.00 C ATOM 458 CZ PHE A 33 -6.709 -6.319 -5.980 1.00 0.00 C ATOM 0 H PHE A 33 -8.505 -3.127 -6.290 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.362 -2.774 -8.433 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.151 -4.683 -6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.759 -4.959 -8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.418 -4.827 -4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.505 -5.581 -8.734 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.300 -5.877 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.385 -6.631 -8.069 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.777 -6.780 -5.687 1.00 0.00 H new ATOM 468 N SER A 34 -12.619 -2.909 -6.658 1.00 0.00 N ATOM 469 CA SER A 34 -13.802 -2.346 -6.018 1.00 0.00 C ATOM 470 C SER A 34 -14.072 -3.039 -4.686 1.00 0.00 C ATOM 471 O SER A 34 -15.132 -3.636 -4.492 1.00 0.00 O ATOM 472 CB SER A 34 -15.021 -2.484 -6.935 1.00 0.00 C ATOM 473 OG SER A 34 -15.540 -3.802 -6.902 1.00 0.00 O ATOM 0 H SER A 34 -12.768 -3.821 -7.089 1.00 0.00 H new ATOM 0 HA SER A 34 -13.618 -1.288 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.793 -1.779 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.742 -2.226 -7.957 1.00 0.00 H new ATOM 0 HG SER A 34 -15.895 -3.992 -6.008 1.00 0.00 H new ATOM 479 N ARG A 35 -13.102 -2.962 -3.776 1.00 0.00 N ATOM 480 CA ARG A 35 -13.223 -3.585 -2.459 1.00 0.00 C ATOM 481 C ARG A 35 -14.686 -3.758 -2.062 1.00 0.00 C ATOM 482 O ARG A 35 -15.490 -2.836 -2.202 1.00 0.00 O ATOM 483 CB ARG A 35 -12.496 -2.747 -1.405 1.00 0.00 C ATOM 484 CG ARG A 35 -12.616 -3.309 0.003 1.00 0.00 C ATOM 485 CD ARG A 35 -13.866 -2.799 0.700 1.00 0.00 C ATOM 486 NE ARG A 35 -14.086 -1.376 0.448 1.00 0.00 N ATOM 487 CZ ARG A 35 -15.265 -0.851 0.127 1.00 0.00 C ATOM 488 NH1 ARG A 35 -16.340 -1.623 0.027 1.00 0.00 N ATOM 489 NH2 ARG A 35 -15.371 0.452 -0.096 1.00 0.00 N ATOM 0 H ARG A 35 -12.220 -2.472 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.763 -4.572 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.441 -2.677 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.896 -1.733 -1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.640 -4.398 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.736 -3.032 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.731 -3.367 0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.779 -2.969 1.773 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.286 -0.747 0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.265 -2.626 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.241 -1.213 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.549 1.051 -0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.275 0.855 -0.342 1.00 0.00 H new ATOM 503 N ALA A 36 -15.025 -4.943 -1.565 1.00 0.00 N ATOM 504 CA ALA A 36 -16.390 -5.235 -1.144 1.00 0.00 C ATOM 505 C ALA A 36 -16.447 -5.522 0.352 1.00 0.00 C ATOM 506 O ALA A 36 -15.870 -6.499 0.828 1.00 0.00 O ATOM 507 CB ALA A 36 -16.943 -6.414 -1.932 1.00 0.00 C ATOM 0 H ALA A 36 -14.372 -5.717 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.006 -4.358 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.963 -6.622 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.942 -6.174 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.321 -7.292 -1.758 1.00 0.00 H new ATOM 513 N TYR A 37 -17.145 -4.664 1.091 1.00 0.00 N ATOM 514 CA TYR A 37 -17.273 -4.831 2.535 1.00 0.00 C ATOM 515 C TYR A 37 -15.904 -4.790 3.210 1.00 0.00 C ATOM 516 O TYR A 37 -15.286 -5.828 3.446 1.00 0.00 O ATOM 517 CB TYR A 37 -17.970 -6.157 2.852 1.00 0.00 C ATOM 518 CG TYR A 37 -19.270 -6.003 3.609 1.00 0.00 C ATOM 519 CD1 TYR A 37 -19.505 -4.898 4.417 1.00 0.00 C ATOM 520 CD2 TYR A 37 -20.263 -6.973 3.521 1.00 0.00 C ATOM 521 CE1 TYR A 37 -20.692 -4.759 5.111 1.00 0.00 C ATOM 522 CE2 TYR A 37 -21.453 -6.842 4.212 1.00 0.00 C ATOM 523 CZ TYR A 37 -21.661 -5.734 5.007 1.00 0.00 C ATOM 524 OH TYR A 37 -22.843 -5.600 5.698 1.00 0.00 O ATOM 0 H TYR A 37 -17.629 -3.849 0.715 1.00 0.00 H new ATOM 0 HA TYR A 37 -17.874 -4.008 2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -18.165 -6.685 1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.293 -6.781 3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.747 -4.134 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -20.102 -7.843 2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -20.860 -3.891 5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -22.215 -7.603 4.130 1.00 0.00 H new ATOM 0 HH TYR A 37 -23.418 -6.372 5.515 1.00 0.00 H new ATOM 534 N PRO A 38 -15.413 -3.583 3.533 1.00 0.00 N ATOM 535 CA PRO A 38 -14.112 -3.406 4.185 1.00 0.00 C ATOM 536 C PRO A 38 -13.883 -4.416 5.305 1.00 0.00 C ATOM 537 O PRO A 38 -14.785 -4.704 6.092 1.00 0.00 O ATOM 538 CB PRO A 38 -14.204 -1.987 4.742 1.00 0.00 C ATOM 539 CG PRO A 38 -15.092 -1.272 3.783 1.00 0.00 C ATOM 540 CD PRO A 38 -16.087 -2.293 3.288 1.00 0.00 C ATOM 0 HA PRO A 38 -13.278 -3.559 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.620 -1.981 5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.222 -1.518 4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.599 -0.439 4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.517 -0.856 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.032 -2.226 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -16.313 -2.153 2.231 1.00 0.00 H new ATOM 548 N THR A 39 -12.669 -4.956 5.369 1.00 0.00 N ATOM 549 CA THR A 39 -12.322 -5.939 6.389 1.00 0.00 C ATOM 550 C THR A 39 -12.659 -5.425 7.786 1.00 0.00 C ATOM 551 O THR A 39 -12.665 -4.218 8.032 1.00 0.00 O ATOM 552 CB THR A 39 -10.834 -6.286 6.305 1.00 0.00 C ATOM 553 OG1 THR A 39 -10.040 -5.120 6.432 1.00 0.00 O ATOM 554 CG2 THR A 39 -10.447 -6.967 5.011 1.00 0.00 C ATOM 0 H THR A 39 -11.910 -4.729 4.727 1.00 0.00 H new ATOM 0 HA THR A 39 -12.911 -6.838 6.204 1.00 0.00 H new ATOM 0 HB THR A 39 -10.654 -6.979 7.127 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.092 -5.362 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.379 -7.184 5.019 1.00 0.00 H new ATOM 0 HG22 THR A 39 -11.006 -7.897 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.677 -6.311 4.172 1.00 0.00 H new ATOM 562 N PRO A 40 -12.946 -6.344 8.718 1.00 0.00 N ATOM 563 CA PRO A 40 -13.288 -5.997 10.100 1.00 0.00 C ATOM 564 C PRO A 40 -12.065 -5.588 10.917 1.00 0.00 C ATOM 565 O PRO A 40 -10.928 -5.843 10.522 1.00 0.00 O ATOM 566 CB PRO A 40 -13.883 -7.297 10.641 1.00 0.00 C ATOM 567 CG PRO A 40 -13.204 -8.370 9.862 1.00 0.00 C ATOM 568 CD PRO A 40 -12.961 -7.801 8.491 1.00 0.00 C ATOM 0 HA PRO A 40 -13.962 -5.142 10.156 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.697 -7.404 11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.963 -7.328 10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.266 -8.661 10.335 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.825 -9.265 9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.017 -8.151 8.073 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.746 -8.090 7.792 1.00 0.00 H new ATOM 576 N LEU A 41 -12.309 -4.954 12.061 1.00 0.00 N ATOM 577 CA LEU A 41 -11.229 -4.512 12.939 1.00 0.00 C ATOM 578 C LEU A 41 -11.749 -4.206 14.342 1.00 0.00 C ATOM 579 O LEU A 41 -11.003 -4.291 15.319 1.00 0.00 O ATOM 580 CB LEU A 41 -10.537 -3.276 12.357 1.00 0.00 C ATOM 581 CG LEU A 41 -11.463 -2.105 12.028 1.00 0.00 C ATOM 582 CD1 LEU A 41 -11.286 -0.985 13.041 1.00 0.00 C ATOM 583 CD2 LEU A 41 -11.197 -1.597 10.619 1.00 0.00 C ATOM 0 H LEU A 41 -13.245 -4.735 12.402 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.505 -5.324 13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.783 -2.934 13.066 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.011 -3.568 11.448 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.494 -2.455 12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.953 -0.160 12.791 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.524 -1.355 14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.254 -0.636 13.021 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.865 -0.763 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.162 -1.263 10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.373 -2.400 9.903 1.00 0.00 H new ATOM 595 N ARG A 42 -13.027 -3.848 14.438 1.00 0.00 N ATOM 596 CA ARG A 42 -13.639 -3.530 15.725 1.00 0.00 C ATOM 597 C ARG A 42 -13.258 -4.567 16.779 1.00 0.00 C ATOM 598 O ARG A 42 -12.539 -5.524 16.490 1.00 0.00 O ATOM 599 CB ARG A 42 -15.161 -3.455 15.587 1.00 0.00 C ATOM 600 CG ARG A 42 -15.724 -4.362 14.504 1.00 0.00 C ATOM 601 CD ARG A 42 -16.788 -5.295 15.060 1.00 0.00 C ATOM 602 NE ARG A 42 -17.909 -5.461 14.138 1.00 0.00 N ATOM 603 CZ ARG A 42 -18.554 -6.610 13.957 1.00 0.00 C ATOM 604 NH1 ARG A 42 -18.192 -7.693 14.633 1.00 0.00 N ATOM 605 NH2 ARG A 42 -19.565 -6.677 13.100 1.00 0.00 N ATOM 0 H ARG A 42 -13.658 -3.771 13.641 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.265 -2.558 16.047 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.617 -3.718 16.542 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.447 -2.426 15.371 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.151 -3.756 13.705 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.918 -4.948 14.063 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.343 -6.268 15.268 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.154 -4.902 16.009 1.00 0.00 H new ATOM 0 HE ARG A 42 -18.215 -4.649 13.602 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.417 -7.646 15.294 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.689 -8.572 14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -19.848 -5.847 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -20.059 -7.559 12.962 1.00 0.00 H new ATOM 619 N SER A 43 -13.739 -4.371 18.004 1.00 0.00 N ATOM 620 CA SER A 43 -13.440 -5.292 19.095 1.00 0.00 C ATOM 621 C SER A 43 -14.712 -5.940 19.640 1.00 0.00 C ATOM 622 O SER A 43 -15.222 -6.902 19.065 1.00 0.00 O ATOM 623 CB SER A 43 -12.699 -4.558 20.215 1.00 0.00 C ATOM 624 OG SER A 43 -13.540 -3.612 20.848 1.00 0.00 O ATOM 0 H SER A 43 -14.335 -3.586 18.265 1.00 0.00 H new ATOM 0 HA SER A 43 -12.802 -6.084 18.702 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.339 -5.278 20.950 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.823 -4.054 19.806 1.00 0.00 H new ATOM 0 HG SER A 43 -13.500 -3.737 21.819 1.00 0.00 H new ATOM 630 N LYS A 44 -15.219 -5.413 20.754 1.00 0.00 N ATOM 631 CA LYS A 44 -16.427 -5.951 21.372 1.00 0.00 C ATOM 632 C LYS A 44 -17.414 -4.839 21.712 1.00 0.00 C ATOM 633 O LYS A 44 -18.038 -4.854 22.772 1.00 0.00 O ATOM 634 CB LYS A 44 -16.075 -6.734 22.638 1.00 0.00 C ATOM 635 CG LYS A 44 -17.141 -7.736 23.051 1.00 0.00 C ATOM 636 CD LYS A 44 -16.527 -9.054 23.492 1.00 0.00 C ATOM 637 CE LYS A 44 -15.862 -9.776 22.330 1.00 0.00 C ATOM 638 NZ LYS A 44 -14.945 -10.853 22.796 1.00 0.00 N ATOM 0 H LYS A 44 -14.812 -4.617 21.245 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.897 -6.622 20.653 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.135 -7.262 22.479 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.912 -6.032 23.456 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.736 -7.321 23.864 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.820 -7.911 22.216 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.792 -8.870 24.276 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.300 -9.691 23.923 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.628 -10.206 21.684 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.303 -9.059 21.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.512 -11.320 21.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.199 -10.440 23.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.482 -11.552 23.348 1.00 0.00 H new ATOM 652 N LYS A 45 -17.553 -3.877 20.807 1.00 0.00 N ATOM 653 CA LYS A 45 -18.471 -2.765 21.019 1.00 0.00 C ATOM 654 C LYS A 45 -18.012 -1.894 22.184 1.00 0.00 C ATOM 655 O LYS A 45 -17.044 -2.217 22.871 1.00 0.00 O ATOM 656 CB LYS A 45 -19.881 -3.292 21.286 1.00 0.00 C ATOM 657 CG LYS A 45 -20.975 -2.267 21.036 1.00 0.00 C ATOM 658 CD LYS A 45 -22.327 -2.932 20.845 1.00 0.00 C ATOM 659 CE LYS A 45 -22.377 -3.728 19.551 1.00 0.00 C ATOM 660 NZ LYS A 45 -23.267 -4.917 19.666 1.00 0.00 N ATOM 0 H LYS A 45 -17.044 -3.845 19.924 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.481 -2.154 20.116 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -20.060 -4.162 20.654 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.943 -3.631 22.320 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.025 -1.574 21.876 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.729 -1.679 20.152 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.532 -3.592 21.688 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.109 -2.173 20.837 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.730 -3.087 18.743 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.371 -4.052 19.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.274 -5.434 18.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.916 -5.542 20.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.233 -4.607 19.895 1.00 0.00 H new ATOM 674 N THR A 46 -18.715 -0.786 22.399 1.00 0.00 N ATOM 675 CA THR A 46 -18.380 0.133 23.481 1.00 0.00 C ATOM 676 C THR A 46 -19.314 1.340 23.477 1.00 0.00 C ATOM 677 O THR A 46 -20.321 1.356 22.767 1.00 0.00 O ATOM 678 CB THR A 46 -16.924 0.587 23.350 1.00 0.00 C ATOM 679 OG1 THR A 46 -16.760 1.914 23.816 1.00 0.00 O ATOM 680 CG2 THR A 46 -16.411 0.536 21.928 1.00 0.00 C ATOM 0 H THR A 46 -19.519 -0.503 21.839 1.00 0.00 H new ATOM 0 HA THR A 46 -18.505 -0.390 24.429 1.00 0.00 H new ATOM 0 HB THR A 46 -16.351 -0.114 23.957 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.821 2.180 23.723 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.374 0.870 21.903 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.472 -0.487 21.556 1.00 0.00 H new ATOM 0 HG23 THR A 46 -17.017 1.188 21.299 1.00 0.00 H new ATOM 688 N MET A 47 -18.973 2.348 24.273 1.00 0.00 N ATOM 689 CA MET A 47 -19.775 3.563 24.365 1.00 0.00 C ATOM 690 C MET A 47 -20.397 3.915 23.016 1.00 0.00 C ATOM 691 O MET A 47 -19.939 3.455 21.969 1.00 0.00 O ATOM 692 CB MET A 47 -18.914 4.727 24.864 1.00 0.00 C ATOM 693 CG MET A 47 -19.239 5.162 26.285 1.00 0.00 C ATOM 694 SD MET A 47 -18.772 6.873 26.612 1.00 0.00 S ATOM 695 CE MET A 47 -19.976 7.324 27.860 1.00 0.00 C ATOM 0 H MET A 47 -18.143 2.347 24.866 1.00 0.00 H new ATOM 0 HA MET A 47 -20.581 3.382 25.076 1.00 0.00 H new ATOM 0 HB2 MET A 47 -17.864 4.439 24.813 1.00 0.00 H new ATOM 0 HB3 MET A 47 -19.044 5.577 24.194 1.00 0.00 H new ATOM 0 HG2 MET A 47 -20.308 5.041 26.462 1.00 0.00 H new ATOM 0 HG3 MET A 47 -18.723 4.508 26.988 1.00 0.00 H new ATOM 0 HE1 MET A 47 -19.815 8.358 28.164 1.00 0.00 H new ATOM 0 HE2 MET A 47 -20.981 7.218 27.451 1.00 0.00 H new ATOM 0 HE3 MET A 47 -19.866 6.670 28.725 1.00 0.00 H new ATOM 705 N LEU A 48 -21.444 4.733 23.052 1.00 0.00 N ATOM 706 CA LEU A 48 -22.140 5.155 21.840 1.00 0.00 C ATOM 707 C LEU A 48 -21.190 5.225 20.648 1.00 0.00 C ATOM 708 O LEU A 48 -20.122 5.833 20.727 1.00 0.00 O ATOM 709 CB LEU A 48 -22.800 6.517 22.059 1.00 0.00 C ATOM 710 CG LEU A 48 -24.158 6.700 21.376 1.00 0.00 C ATOM 711 CD1 LEU A 48 -24.873 7.925 21.929 1.00 0.00 C ATOM 712 CD2 LEU A 48 -23.984 6.818 19.870 1.00 0.00 C ATOM 0 H LEU A 48 -21.832 5.119 23.913 1.00 0.00 H new ATOM 0 HA LEU A 48 -22.906 4.412 21.619 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -22.926 6.674 23.130 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -22.123 7.293 21.701 1.00 0.00 H new ATOM 0 HG LEU A 48 -24.770 5.822 21.584 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -25.836 8.039 21.432 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -25.030 7.802 23.001 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -24.265 8.812 21.751 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -24.959 6.948 19.400 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -23.354 7.678 19.643 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -23.514 5.913 19.486 1.00 0.00 H new ATOM 724 N VAL A 49 -21.590 4.601 19.543 1.00 0.00 N ATOM 725 CA VAL A 49 -20.782 4.593 18.328 1.00 0.00 C ATOM 726 C VAL A 49 -21.251 5.666 17.351 1.00 0.00 C ATOM 727 O VAL A 49 -22.445 5.945 17.248 1.00 0.00 O ATOM 728 CB VAL A 49 -20.833 3.222 17.624 1.00 0.00 C ATOM 729 CG1 VAL A 49 -19.959 2.213 18.352 1.00 0.00 C ATOM 730 CG2 VAL A 49 -22.267 2.726 17.528 1.00 0.00 C ATOM 0 H VAL A 49 -22.471 4.093 19.465 1.00 0.00 H new ATOM 0 HA VAL A 49 -19.756 4.800 18.632 1.00 0.00 H new ATOM 0 HB VAL A 49 -20.444 3.339 16.612 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -20.009 1.252 17.840 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -18.928 2.566 18.363 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.313 2.097 19.376 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -22.284 1.757 17.028 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.685 2.625 18.530 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -22.861 3.439 16.957 1.00 0.00 H new ATOM 740 N GLN A 50 -20.307 6.265 16.633 1.00 0.00 N ATOM 741 CA GLN A 50 -20.632 7.306 15.665 1.00 0.00 C ATOM 742 C GLN A 50 -20.316 6.846 14.246 1.00 0.00 C ATOM 743 O GLN A 50 -19.986 5.682 14.019 1.00 0.00 O ATOM 744 CB GLN A 50 -19.864 8.589 15.985 1.00 0.00 C ATOM 745 CG GLN A 50 -20.760 9.808 16.145 1.00 0.00 C ATOM 746 CD GLN A 50 -20.066 11.098 15.758 1.00 0.00 C ATOM 747 OE1 GLN A 50 -18.838 11.176 15.746 1.00 0.00 O ATOM 748 NE2 GLN A 50 -20.852 12.120 15.440 1.00 0.00 N ATOM 0 H GLN A 50 -19.313 6.048 16.703 1.00 0.00 H new ATOM 0 HA GLN A 50 -21.701 7.508 15.731 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -19.295 8.443 16.903 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -19.143 8.780 15.190 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -21.652 9.682 15.531 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -21.093 9.876 17.181 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -21.866 12.010 15.464 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -20.442 13.015 15.172 1.00 0.00 H new ATOM 757 N LYS A 51 -20.420 7.766 13.293 1.00 0.00 N ATOM 758 CA LYS A 51 -20.148 7.451 11.894 1.00 0.00 C ATOM 759 C LYS A 51 -18.731 7.864 11.508 1.00 0.00 C ATOM 760 O LYS A 51 -18.240 8.910 11.931 1.00 0.00 O ATOM 761 CB LYS A 51 -21.165 8.149 10.987 1.00 0.00 C ATOM 762 CG LYS A 51 -20.641 8.438 9.588 1.00 0.00 C ATOM 763 CD LYS A 51 -21.774 8.571 8.584 1.00 0.00 C ATOM 764 CE LYS A 51 -21.418 7.927 7.255 1.00 0.00 C ATOM 765 NZ LYS A 51 -22.590 7.854 6.338 1.00 0.00 N ATOM 0 H LYS A 51 -20.690 8.735 13.463 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.238 6.372 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -22.057 7.527 10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.470 9.087 11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.055 9.357 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.970 7.637 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.674 8.106 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.002 9.625 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.620 8.496 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.032 6.923 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.303 7.408 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.343 7.289 6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.943 8.814 6.149 1.00 0.00 H new ATOM 779 N ASN A 52 -18.081 7.036 10.699 1.00 0.00 N ATOM 780 CA ASN A 52 -16.720 7.314 10.252 1.00 0.00 C ATOM 781 C ASN A 52 -16.358 6.445 9.051 1.00 0.00 C ATOM 782 O ASN A 52 -15.921 5.305 9.205 1.00 0.00 O ATOM 783 CB ASN A 52 -15.726 7.074 11.391 1.00 0.00 C ATOM 784 CG ASN A 52 -16.416 6.727 12.696 1.00 0.00 C ATOM 785 OD1 ASN A 52 -16.232 7.402 13.708 1.00 0.00 O ATOM 786 ND2 ASN A 52 -17.217 5.667 12.678 1.00 0.00 N ATOM 0 H ASN A 52 -18.474 6.166 10.339 1.00 0.00 H new ATOM 0 HA ASN A 52 -16.667 8.360 9.951 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.049 6.266 11.115 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.116 7.966 11.532 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.708 5.385 13.526 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.341 5.136 11.816 1.00 0.00 H new ATOM 793 N VAL A 53 -16.546 6.993 7.854 1.00 0.00 N ATOM 794 CA VAL A 53 -16.242 6.266 6.626 1.00 0.00 C ATOM 795 C VAL A 53 -16.071 7.218 5.447 1.00 0.00 C ATOM 796 O VAL A 53 -16.819 8.185 5.303 1.00 0.00 O ATOM 797 CB VAL A 53 -17.350 5.251 6.292 1.00 0.00 C ATOM 798 CG1 VAL A 53 -18.705 5.940 6.234 1.00 0.00 C ATOM 799 CG2 VAL A 53 -17.051 4.544 4.980 1.00 0.00 C ATOM 0 H VAL A 53 -16.907 7.936 7.708 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.306 5.735 6.796 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.380 4.502 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.476 5.207 5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.923 6.396 7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -18.688 6.711 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -17.846 3.831 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.991 5.278 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.101 4.015 5.060 1.00 0.00 H new ATOM 809 N THR A 54 -15.084 6.935 4.602 1.00 0.00 N ATOM 810 CA THR A 54 -14.820 7.769 3.432 1.00 0.00 C ATOM 811 C THR A 54 -15.976 7.696 2.437 1.00 0.00 C ATOM 812 O THR A 54 -16.849 8.561 2.422 1.00 0.00 O ATOM 813 CB THR A 54 -13.519 7.341 2.746 1.00 0.00 C ATOM 814 OG1 THR A 54 -13.608 6.006 2.282 1.00 0.00 O ATOM 815 CG2 THR A 54 -12.306 7.433 3.646 1.00 0.00 C ATOM 0 H THR A 54 -14.456 6.138 4.704 1.00 0.00 H new ATOM 0 HA THR A 54 -14.719 8.799 3.774 1.00 0.00 H new ATOM 0 HB THR A 54 -13.391 8.039 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.767 5.754 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.420 7.115 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.177 8.463 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.446 6.787 4.513 1.00 0.00 H new ATOM 823 N SER A 55 -15.969 6.657 1.608 1.00 0.00 N ATOM 824 CA SER A 55 -17.013 6.468 0.606 1.00 0.00 C ATOM 825 C SER A 55 -16.587 5.418 -0.415 1.00 0.00 C ATOM 826 O SER A 55 -15.617 4.692 -0.200 1.00 0.00 O ATOM 827 CB SER A 55 -17.321 7.792 -0.098 1.00 0.00 C ATOM 828 OG SER A 55 -16.129 8.481 -0.434 1.00 0.00 O ATOM 0 H SER A 55 -15.251 5.932 1.610 1.00 0.00 H new ATOM 0 HA SER A 55 -17.915 6.120 1.109 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.901 7.601 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.936 8.417 0.549 1.00 0.00 H new ATOM 0 HG SER A 55 -16.353 9.322 -0.884 1.00 0.00 H new ATOM 834 N GLU A 56 -17.312 5.338 -1.525 1.00 0.00 N ATOM 835 CA GLU A 56 -16.994 4.373 -2.570 1.00 0.00 C ATOM 836 C GLU A 56 -15.731 4.781 -3.322 1.00 0.00 C ATOM 837 O GLU A 56 -15.744 4.924 -4.544 1.00 0.00 O ATOM 838 CB GLU A 56 -18.165 4.243 -3.547 1.00 0.00 C ATOM 839 CG GLU A 56 -18.141 2.957 -4.356 1.00 0.00 C ATOM 840 CD GLU A 56 -18.557 3.168 -5.799 1.00 0.00 C ATOM 841 OE1 GLU A 56 -18.468 4.316 -6.281 1.00 0.00 O ATOM 842 OE2 GLU A 56 -18.972 2.183 -6.446 1.00 0.00 O ATOM 0 H GLU A 56 -18.121 5.927 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.816 3.407 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.100 4.294 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.154 5.093 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.137 2.534 -4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.806 2.228 -3.893 1.00 0.00 H new ATOM 849 N SER A 57 -14.641 4.970 -2.584 1.00 0.00 N ATOM 850 CA SER A 57 -13.370 5.364 -3.183 1.00 0.00 C ATOM 851 C SER A 57 -12.199 4.777 -2.400 1.00 0.00 C ATOM 852 O SER A 57 -12.067 5.006 -1.198 1.00 0.00 O ATOM 853 CB SER A 57 -13.257 6.889 -3.233 1.00 0.00 C ATOM 854 OG SER A 57 -12.860 7.414 -1.978 1.00 0.00 O ATOM 0 H SER A 57 -14.612 4.857 -1.571 1.00 0.00 H new ATOM 0 HA SER A 57 -13.336 4.973 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.535 7.178 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.216 7.318 -3.523 1.00 0.00 H new ATOM 0 HG SER A 57 -12.816 6.690 -1.319 1.00 0.00 H new ATOM 860 N THR A 58 -11.355 4.015 -3.089 1.00 0.00 N ATOM 861 CA THR A 58 -10.199 3.391 -2.454 1.00 0.00 C ATOM 862 C THR A 58 -8.928 3.644 -3.257 1.00 0.00 C ATOM 863 O THR A 58 -8.980 3.905 -4.460 1.00 0.00 O ATOM 864 CB THR A 58 -10.428 1.887 -2.303 1.00 0.00 C ATOM 865 OG1 THR A 58 -11.623 1.493 -2.954 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.521 1.439 -0.861 1.00 0.00 C ATOM 0 H THR A 58 -11.449 3.815 -4.085 1.00 0.00 H new ATOM 0 HA THR A 58 -10.075 3.837 -1.467 1.00 0.00 H new ATOM 0 HB THR A 58 -9.557 1.415 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.751 0.527 -2.847 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.684 0.362 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.593 1.684 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.353 1.948 -0.375 1.00 0.00 H new ATOM 874 N CYS A 59 -7.784 3.558 -2.585 1.00 0.00 N ATOM 875 CA CYS A 59 -6.496 3.770 -3.232 1.00 0.00 C ATOM 876 C CYS A 59 -5.353 3.423 -2.286 1.00 0.00 C ATOM 877 O CYS A 59 -5.412 3.718 -1.092 1.00 0.00 O ATOM 878 CB CYS A 59 -6.363 5.218 -3.710 1.00 0.00 C ATOM 879 SG CYS A 59 -7.671 6.330 -3.102 1.00 0.00 S ATOM 0 H CYS A 59 -7.724 3.342 -1.590 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.442 3.111 -4.098 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.395 5.606 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.369 5.231 -4.800 1.00 0.00 H new ATOM 884 N CYS A 60 -4.320 2.788 -2.825 1.00 0.00 N ATOM 885 CA CYS A 60 -3.166 2.391 -2.030 1.00 0.00 C ATOM 886 C CYS A 60 -2.337 3.602 -1.612 1.00 0.00 C ATOM 887 O CYS A 60 -1.915 4.401 -2.447 1.00 0.00 O ATOM 888 CB CYS A 60 -2.293 1.410 -2.815 1.00 0.00 C ATOM 889 SG CYS A 60 -3.097 -0.187 -3.167 1.00 0.00 S ATOM 0 H CYS A 60 -4.258 2.537 -3.812 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.535 1.903 -1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.002 1.874 -3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.377 1.227 -2.254 1.00 0.00 H new ATOM 894 N VAL A 61 -2.097 3.719 -0.310 1.00 0.00 N ATOM 895 CA VAL A 61 -1.308 4.815 0.238 1.00 0.00 C ATOM 896 C VAL A 61 -0.467 4.324 1.408 1.00 0.00 C ATOM 897 O VAL A 61 -0.684 4.726 2.551 1.00 0.00 O ATOM 898 CB VAL A 61 -2.196 5.979 0.716 1.00 0.00 C ATOM 899 CG1 VAL A 61 -3.358 5.460 1.549 1.00 0.00 C ATOM 900 CG2 VAL A 61 -1.373 6.985 1.506 1.00 0.00 C ATOM 0 H VAL A 61 -2.441 3.062 0.390 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.664 5.178 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.605 6.483 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.973 6.298 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.962 4.780 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.973 4.930 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.015 7.801 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.934 6.494 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.579 7.382 0.874 1.00 0.00 H new ATOM 910 N ALA A 62 0.480 3.438 1.107 1.00 0.00 N ATOM 911 CA ALA A 62 1.359 2.859 2.119 1.00 0.00 C ATOM 912 C ALA A 62 0.895 3.182 3.532 1.00 0.00 C ATOM 913 O ALA A 62 1.097 4.291 4.026 1.00 0.00 O ATOM 914 CB ALA A 62 2.793 3.323 1.929 1.00 0.00 C ATOM 0 H ALA A 62 0.659 3.103 0.160 1.00 0.00 H new ATOM 0 HA ALA A 62 1.315 1.778 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.425 2.876 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.147 3.017 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.838 4.409 2.009 1.00 0.00 H new ATOM 920 N LYS A 63 0.304 2.194 4.187 1.00 0.00 N ATOM 921 CA LYS A 63 -0.150 2.358 5.557 1.00 0.00 C ATOM 922 C LYS A 63 1.009 2.862 6.395 1.00 0.00 C ATOM 923 O LYS A 63 0.846 3.683 7.299 1.00 0.00 O ATOM 924 CB LYS A 63 -0.640 1.021 6.106 1.00 0.00 C ATOM 925 CG LYS A 63 -1.559 1.157 7.308 1.00 0.00 C ATOM 926 CD LYS A 63 -2.202 -0.170 7.667 1.00 0.00 C ATOM 927 CE LYS A 63 -3.316 0.008 8.687 1.00 0.00 C ATOM 928 NZ LYS A 63 -3.901 -1.293 9.113 1.00 0.00 N ATOM 0 H LYS A 63 0.128 1.271 3.791 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.972 3.073 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.166 0.484 5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.222 0.414 6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.992 1.531 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.334 1.892 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.603 -0.637 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.446 -0.846 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.927 0.533 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.100 0.635 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.656 -1.123 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.296 -1.784 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.160 -1.882 9.544 1.00 0.00 H new ATOM 942 N SER A 64 2.187 2.363 6.053 1.00 0.00 N ATOM 943 CA SER A 64 3.419 2.735 6.713 1.00 0.00 C ATOM 944 C SER A 64 4.501 2.893 5.662 1.00 0.00 C ATOM 945 O SER A 64 4.345 2.431 4.532 1.00 0.00 O ATOM 946 CB SER A 64 3.831 1.677 7.738 1.00 0.00 C ATOM 947 OG SER A 64 2.738 1.315 8.561 1.00 0.00 O ATOM 0 H SER A 64 2.311 1.683 5.303 1.00 0.00 H new ATOM 0 HA SER A 64 3.273 3.675 7.246 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.211 0.795 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.644 2.060 8.355 1.00 0.00 H new ATOM 0 HG SER A 64 3.026 0.636 9.207 1.00 0.00 H new ATOM 953 N TYR A 65 5.585 3.552 6.016 1.00 0.00 N ATOM 954 CA TYR A 65 6.660 3.762 5.066 1.00 0.00 C ATOM 955 C TYR A 65 8.012 3.712 5.736 1.00 0.00 C ATOM 956 O TYR A 65 8.134 3.945 6.939 1.00 0.00 O ATOM 957 CB TYR A 65 6.506 5.117 4.395 1.00 0.00 C ATOM 958 CG TYR A 65 5.831 6.153 5.264 1.00 0.00 C ATOM 959 CD1 TYR A 65 4.447 6.238 5.330 1.00 0.00 C ATOM 960 CD2 TYR A 65 6.581 7.045 6.021 1.00 0.00 C ATOM 961 CE1 TYR A 65 3.828 7.186 6.123 1.00 0.00 C ATOM 962 CE2 TYR A 65 5.969 7.994 6.817 1.00 0.00 C ATOM 963 CZ TYR A 65 4.593 8.059 6.865 1.00 0.00 C ATOM 964 OH TYR A 65 3.979 9.003 7.658 1.00 0.00 O ATOM 0 H TYR A 65 5.745 3.947 6.942 1.00 0.00 H new ATOM 0 HA TYR A 65 6.601 2.962 4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.491 5.484 4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.930 4.995 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.844 5.553 4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.659 6.996 5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.750 7.242 6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.566 8.681 7.399 1.00 0.00 H new ATOM 0 HH TYR A 65 4.660 9.539 8.116 1.00 0.00 H new ATOM 974 N ASN A 66 9.038 3.466 4.938 1.00 0.00 N ATOM 975 CA ASN A 66 10.397 3.463 5.469 1.00 0.00 C ATOM 976 C ASN A 66 11.207 4.446 4.667 1.00 0.00 C ATOM 977 O ASN A 66 12.430 4.363 4.553 1.00 0.00 O ATOM 978 CB ASN A 66 11.022 2.071 5.433 1.00 0.00 C ATOM 979 CG ASN A 66 11.501 1.616 6.799 1.00 0.00 C ATOM 980 OD1 ASN A 66 10.711 1.483 7.734 1.00 0.00 O ATOM 981 ND2 ASN A 66 12.801 1.376 6.920 1.00 0.00 N ATOM 0 H ASN A 66 8.963 3.269 3.940 1.00 0.00 H new ATOM 0 HA ASN A 66 10.379 3.756 6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.292 1.358 5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.862 2.071 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.182 1.068 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.419 1.499 6.118 1.00 0.00 H new ATOM 988 N ARG A 67 10.454 5.374 4.120 1.00 0.00 N ATOM 989 CA ARG A 67 10.959 6.453 3.290 1.00 0.00 C ATOM 990 C ARG A 67 12.462 6.373 3.105 1.00 0.00 C ATOM 991 O ARG A 67 13.231 6.403 4.066 1.00 0.00 O ATOM 992 CB ARG A 67 10.571 7.782 3.910 1.00 0.00 C ATOM 993 CG ARG A 67 9.948 8.766 2.936 1.00 0.00 C ATOM 994 CD ARG A 67 10.036 10.187 3.469 1.00 0.00 C ATOM 995 NE ARG A 67 9.153 11.104 2.755 1.00 0.00 N ATOM 996 CZ ARG A 67 8.845 12.319 3.198 1.00 0.00 C ATOM 997 NH1 ARG A 67 9.331 12.749 4.355 1.00 0.00 N ATOM 998 NH2 ARG A 67 8.047 13.103 2.487 1.00 0.00 N ATOM 0 H ARG A 67 9.442 5.402 4.242 1.00 0.00 H new ATOM 0 HA ARG A 67 10.512 6.361 2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.869 7.599 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.458 8.237 4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.456 8.702 1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.905 8.502 2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.780 10.191 4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.064 10.540 3.388 1.00 0.00 H new ATOM 0 HE ARG A 67 8.751 10.796 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.942 12.147 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.093 13.682 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.668 12.774 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.812 14.035 2.828 1.00 0.00 H new ATOM 1012 N VAL A 68 12.864 6.282 1.852 1.00 0.00 N ATOM 1013 CA VAL A 68 14.272 6.204 1.502 1.00 0.00 C ATOM 1014 C VAL A 68 14.627 7.241 0.457 1.00 0.00 C ATOM 1015 O VAL A 68 15.395 6.968 -0.462 1.00 0.00 O ATOM 1016 CB VAL A 68 14.668 4.801 0.972 1.00 0.00 C ATOM 1017 CG1 VAL A 68 13.949 3.698 1.736 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.391 4.676 -0.526 1.00 0.00 C ATOM 0 H VAL A 68 12.231 6.260 1.053 1.00 0.00 H new ATOM 0 HA VAL A 68 14.828 6.397 2.419 1.00 0.00 H new ATOM 0 HB VAL A 68 15.740 4.685 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.248 2.727 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.212 3.756 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.872 3.820 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.679 3.682 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.328 4.831 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.968 5.426 -1.067 1.00 0.00 H new ATOM 1028 N THR A 69 14.061 8.428 0.604 1.00 0.00 N ATOM 1029 CA THR A 69 14.312 9.507 -0.341 1.00 0.00 C ATOM 1030 C THR A 69 15.609 9.255 -1.086 1.00 0.00 C ATOM 1031 O THR A 69 16.677 9.162 -0.480 1.00 0.00 O ATOM 1032 CB THR A 69 14.386 10.865 0.347 1.00 0.00 C ATOM 1033 OG1 THR A 69 13.130 11.226 0.893 1.00 0.00 O ATOM 1034 CG2 THR A 69 14.822 11.962 -0.602 1.00 0.00 C ATOM 0 H THR A 69 13.427 8.670 1.365 1.00 0.00 H new ATOM 0 HA THR A 69 13.475 9.525 -1.039 1.00 0.00 H new ATOM 0 HB THR A 69 15.127 10.764 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.202 12.100 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.860 12.911 -0.068 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.810 11.729 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.110 12.037 -1.424 1.00 0.00 H new ATOM 1042 N VAL A 70 15.510 9.120 -2.392 1.00 0.00 N ATOM 1043 CA VAL A 70 16.683 8.849 -3.206 1.00 0.00 C ATOM 1044 C VAL A 70 16.916 9.907 -4.262 1.00 0.00 C ATOM 1045 O VAL A 70 16.299 10.971 -4.260 1.00 0.00 O ATOM 1046 CB VAL A 70 16.579 7.490 -3.912 1.00 0.00 C ATOM 1047 CG1 VAL A 70 17.891 6.733 -3.799 1.00 0.00 C ATOM 1048 CG2 VAL A 70 15.428 6.679 -3.345 1.00 0.00 C ATOM 0 H VAL A 70 14.636 9.192 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 70 17.522 8.848 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 70 16.377 7.662 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.801 5.772 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 70 18.688 7.314 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.127 6.569 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.371 5.719 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.591 6.512 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.494 7.223 -3.488 1.00 0.00 H new ATOM 1058 N MET A 71 17.827 9.580 -5.163 1.00 0.00 N ATOM 1059 CA MET A 71 18.196 10.460 -6.257 1.00 0.00 C ATOM 1060 C MET A 71 18.043 11.921 -5.874 1.00 0.00 C ATOM 1061 O MET A 71 18.508 12.358 -4.821 1.00 0.00 O ATOM 1062 CB MET A 71 17.355 10.164 -7.496 1.00 0.00 C ATOM 1063 CG MET A 71 17.271 8.693 -7.828 1.00 0.00 C ATOM 1064 SD MET A 71 18.832 8.016 -8.426 1.00 0.00 S ATOM 1065 CE MET A 71 19.094 8.999 -9.903 1.00 0.00 C ATOM 0 H MET A 71 18.332 8.694 -5.156 1.00 0.00 H new ATOM 0 HA MET A 71 19.246 10.272 -6.482 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.348 10.552 -7.343 1.00 0.00 H new ATOM 0 HB3 MET A 71 17.777 10.697 -8.348 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.959 8.143 -6.940 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.501 8.540 -8.585 1.00 0.00 H new ATOM 0 HE1 MET A 71 19.455 8.358 -10.707 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.154 9.463 -10.203 1.00 0.00 H new ATOM 0 HE3 MET A 71 19.832 9.774 -9.698 1.00 0.00 H new ATOM 1075 N GLY A 72 17.386 12.671 -6.748 1.00 0.00 N ATOM 1076 CA GLY A 72 17.174 14.078 -6.513 1.00 0.00 C ATOM 1077 C GLY A 72 16.328 14.360 -5.285 1.00 0.00 C ATOM 1078 O GLY A 72 16.066 15.518 -4.961 1.00 0.00 O ATOM 0 H GLY A 72 16.994 12.322 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 72 18.140 14.570 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.692 14.517 -7.387 1.00 0.00 H new ATOM 1082 N GLY A 73 15.894 13.304 -4.604 1.00 0.00 N ATOM 1083 CA GLY A 73 15.077 13.471 -3.422 1.00 0.00 C ATOM 1084 C GLY A 73 13.720 12.817 -3.569 1.00 0.00 C ATOM 1085 O GLY A 73 12.718 13.341 -3.083 1.00 0.00 O ATOM 0 H GLY A 73 16.095 12.335 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.593 13.044 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.946 14.534 -3.220 1.00 0.00 H new ATOM 1089 N PHE A 74 13.685 11.663 -4.233 1.00 0.00 N ATOM 1090 CA PHE A 74 12.436 10.938 -4.427 1.00 0.00 C ATOM 1091 C PHE A 74 11.890 10.490 -3.083 1.00 0.00 C ATOM 1092 O PHE A 74 12.481 10.785 -2.047 1.00 0.00 O ATOM 1093 CB PHE A 74 12.655 9.736 -5.346 1.00 0.00 C ATOM 1094 CG PHE A 74 12.959 10.122 -6.766 1.00 0.00 C ATOM 1095 CD1 PHE A 74 12.117 10.978 -7.459 1.00 0.00 C ATOM 1096 CD2 PHE A 74 14.086 9.633 -7.406 1.00 0.00 C ATOM 1097 CE1 PHE A 74 12.394 11.339 -8.764 1.00 0.00 C ATOM 1098 CE2 PHE A 74 14.367 9.991 -8.713 1.00 0.00 C ATOM 1099 CZ PHE A 74 13.521 10.844 -9.391 1.00 0.00 C ATOM 0 H PHE A 74 14.504 11.214 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 74 11.710 11.599 -4.900 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.476 9.134 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.764 9.108 -5.330 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.234 11.367 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.752 8.966 -6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.730 12.007 -9.293 1.00 0.00 H new ATOM 0 HE2 PHE A 74 15.248 9.603 -9.202 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.740 11.124 -10.411 1.00 0.00 H new ATOM 1109 N LYS A 75 10.764 9.789 -3.089 1.00 0.00 N ATOM 1110 CA LYS A 75 10.169 9.329 -1.839 1.00 0.00 C ATOM 1111 C LYS A 75 9.315 8.075 -2.031 1.00 0.00 C ATOM 1112 O LYS A 75 8.131 8.161 -2.352 1.00 0.00 O ATOM 1113 CB LYS A 75 9.317 10.434 -1.215 1.00 0.00 C ATOM 1114 CG LYS A 75 10.085 11.709 -0.906 1.00 0.00 C ATOM 1115 CD LYS A 75 9.884 12.752 -1.993 1.00 0.00 C ATOM 1116 CE LYS A 75 8.995 13.890 -1.516 1.00 0.00 C ATOM 1117 NZ LYS A 75 8.924 14.992 -2.513 1.00 0.00 N ATOM 0 H LYS A 75 10.250 9.529 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 75 10.992 9.075 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.496 10.672 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.872 10.058 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.756 12.111 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.147 11.482 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.851 13.149 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.438 12.283 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.992 13.510 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.377 14.278 -0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.309 15.748 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.878 15.371 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.536 14.628 -3.406 1.00 0.00 H new ATOM 1131 N VAL A 76 9.922 6.917 -1.796 1.00 0.00 N ATOM 1132 CA VAL A 76 9.223 5.635 -1.903 1.00 0.00 C ATOM 1133 C VAL A 76 8.669 5.265 -0.566 1.00 0.00 C ATOM 1134 O VAL A 76 8.338 4.107 -0.315 1.00 0.00 O ATOM 1135 CB VAL A 76 10.187 4.512 -2.335 1.00 0.00 C ATOM 1136 CG1 VAL A 76 10.584 4.701 -3.792 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.403 4.598 -1.422 1.00 0.00 C ATOM 0 H VAL A 76 10.903 6.837 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 76 8.433 5.743 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 76 9.719 3.531 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.265 3.904 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.693 4.670 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.079 5.665 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.116 3.819 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.873 5.575 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.091 4.462 -0.387 1.00 0.00 H new ATOM 1147 N GLU A 77 8.603 6.261 0.291 1.00 0.00 N ATOM 1148 CA GLU A 77 8.128 6.053 1.650 1.00 0.00 C ATOM 1149 C GLU A 77 8.316 4.587 1.955 1.00 0.00 C ATOM 1150 O GLU A 77 7.404 3.914 2.433 1.00 0.00 O ATOM 1151 CB GLU A 77 6.652 6.445 1.778 1.00 0.00 C ATOM 1152 CG GLU A 77 6.060 7.039 0.510 1.00 0.00 C ATOM 1153 CD GLU A 77 5.968 8.551 0.561 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.943 9.190 1.009 1.00 0.00 O ATOM 1155 OE2 GLU A 77 4.919 9.095 0.154 1.00 0.00 O ATOM 0 H GLU A 77 8.870 7.222 0.076 1.00 0.00 H new ATOM 0 HA GLU A 77 8.683 6.674 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.075 5.564 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.547 7.166 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.670 6.745 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.065 6.624 0.349 1.00 0.00 H new ATOM 1162 N ASN A 78 9.503 4.092 1.582 1.00 0.00 N ATOM 1163 CA ASN A 78 9.822 2.685 1.702 1.00 0.00 C ATOM 1164 C ASN A 78 8.599 1.985 2.210 1.00 0.00 C ATOM 1165 O ASN A 78 8.522 1.607 3.374 1.00 0.00 O ATOM 1166 CB ASN A 78 10.962 2.400 2.651 1.00 0.00 C ATOM 1167 CG ASN A 78 11.082 0.910 2.857 1.00 0.00 C ATOM 1168 OD1 ASN A 78 10.178 0.268 3.387 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.190 0.359 2.432 1.00 0.00 N ATOM 0 H ASN A 78 10.256 4.660 1.193 1.00 0.00 H new ATOM 0 HA ASN A 78 10.136 2.334 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.893 2.799 2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.788 2.897 3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.912 0.934 1.998 1.00 0.00 H new ATOM 1174 N HIS A 79 7.613 1.887 1.362 1.00 0.00 N ATOM 1175 CA HIS A 79 6.370 1.305 1.779 1.00 0.00 C ATOM 1176 C HIS A 79 6.592 0.082 2.633 1.00 0.00 C ATOM 1177 O HIS A 79 7.149 -0.926 2.206 1.00 0.00 O ATOM 1178 CB HIS A 79 5.457 1.051 0.588 1.00 0.00 C ATOM 1179 CG HIS A 79 5.114 2.337 -0.067 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.234 2.492 -1.108 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.592 3.565 0.214 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.212 3.793 -1.432 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.020 4.491 -0.655 1.00 0.00 N ATOM 0 H HIS A 79 7.645 2.198 0.391 1.00 0.00 H new ATOM 0 HA HIS A 79 5.851 2.022 2.415 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.950 0.390 -0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.548 0.546 0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.306 3.795 0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.612 4.215 -2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.189 5.496 -0.685 1.00 0.00 H new ATOM 1191 N THR A 80 6.174 0.217 3.869 1.00 0.00 N ATOM 1192 CA THR A 80 6.328 -0.840 4.850 1.00 0.00 C ATOM 1193 C THR A 80 4.965 -1.386 5.277 1.00 0.00 C ATOM 1194 O THR A 80 4.880 -2.343 6.048 1.00 0.00 O ATOM 1195 CB THR A 80 7.127 -0.312 6.043 1.00 0.00 C ATOM 1196 OG1 THR A 80 6.316 0.496 6.878 1.00 0.00 O ATOM 1197 CG2 THR A 80 8.329 0.516 5.618 1.00 0.00 C ATOM 0 H THR A 80 5.719 1.057 4.226 1.00 0.00 H new ATOM 0 HA THR A 80 6.878 -1.670 4.407 1.00 0.00 H new ATOM 0 HB THR A 80 7.475 -1.194 6.581 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.847 0.821 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.861 0.866 6.503 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.997 -0.096 5.012 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.993 1.373 5.034 1.00 0.00 H new ATOM 1205 N ALA A 81 3.902 -0.783 4.744 1.00 0.00 N ATOM 1206 CA ALA A 81 2.542 -1.204 5.032 1.00 0.00 C ATOM 1207 C ALA A 81 1.592 -0.520 4.064 1.00 0.00 C ATOM 1208 O ALA A 81 1.438 0.691 4.108 1.00 0.00 O ATOM 1209 CB ALA A 81 2.165 -0.879 6.471 1.00 0.00 C ATOM 0 H ALA A 81 3.965 0.008 4.103 1.00 0.00 H new ATOM 0 HA ALA A 81 2.470 -2.285 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.142 -1.204 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.843 -1.396 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.240 0.196 6.633 1.00 0.00 H new ATOM 1215 N CYS A 82 0.976 -1.293 3.178 1.00 0.00 N ATOM 1216 CA CYS A 82 0.056 -0.731 2.195 1.00 0.00 C ATOM 1217 C CYS A 82 -1.392 -0.923 2.635 1.00 0.00 C ATOM 1218 O CYS A 82 -1.703 -1.847 3.384 1.00 0.00 O ATOM 1219 CB CYS A 82 0.279 -1.377 0.825 1.00 0.00 C ATOM 1220 SG CYS A 82 0.146 -0.220 -0.580 1.00 0.00 S ATOM 0 H CYS A 82 1.095 -2.304 3.119 1.00 0.00 H new ATOM 0 HA CYS A 82 0.254 0.338 2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.267 -1.837 0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.448 -2.178 0.691 1.00 0.00 H new ATOM 1225 N HIS A 83 -2.274 -0.046 2.166 1.00 0.00 N ATOM 1226 CA HIS A 83 -3.685 -0.130 2.519 1.00 0.00 C ATOM 1227 C HIS A 83 -4.544 0.666 1.541 1.00 0.00 C ATOM 1228 O HIS A 83 -4.461 1.892 1.479 1.00 0.00 O ATOM 1229 CB HIS A 83 -3.906 0.383 3.942 1.00 0.00 C ATOM 1230 CG HIS A 83 -3.642 1.847 4.097 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -4.520 2.710 4.720 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -2.587 2.601 3.709 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -4.017 3.932 4.706 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -2.845 3.892 4.100 1.00 0.00 N ATOM 0 H HIS A 83 -2.037 0.727 1.544 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.984 -1.177 2.465 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.934 0.174 4.239 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.258 -0.169 4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.707 2.253 3.189 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.485 4.813 5.120 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.230 4.691 3.947 1.00 0.00 H new ATOM 1243 N CYS A 84 -5.370 -0.042 0.778 1.00 0.00 N ATOM 1244 CA CYS A 84 -6.247 0.598 -0.198 1.00 0.00 C ATOM 1245 C CYS A 84 -7.386 1.333 0.501 1.00 0.00 C ATOM 1246 O CYS A 84 -8.269 0.705 1.085 1.00 0.00 O ATOM 1247 CB CYS A 84 -6.814 -0.443 -1.168 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.235 -0.256 -2.886 1.00 0.00 S ATOM 0 H CYS A 84 -5.451 -1.058 0.816 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.659 1.323 -0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.547 -1.438 -0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.902 -0.381 -1.154 1.00 0.00 H new ATOM 1253 N SER A 85 -7.358 2.664 0.434 1.00 0.00 N ATOM 1254 CA SER A 85 -8.389 3.498 1.059 1.00 0.00 C ATOM 1255 C SER A 85 -7.768 4.696 1.774 1.00 0.00 C ATOM 1256 O SER A 85 -6.563 4.728 2.026 1.00 0.00 O ATOM 1257 CB SER A 85 -9.222 2.686 2.055 1.00 0.00 C ATOM 1258 OG SER A 85 -10.016 3.532 2.869 1.00 0.00 O ATOM 0 H SER A 85 -6.630 3.191 -0.048 1.00 0.00 H new ATOM 0 HA SER A 85 -9.040 3.860 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.864 1.990 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.562 2.088 2.683 1.00 0.00 H new ATOM 0 HG SER A 85 -10.539 2.988 3.494 1.00 0.00 H new ATOM 1264 N THR A 86 -8.603 5.679 2.103 1.00 0.00 N ATOM 1265 CA THR A 86 -8.144 6.881 2.792 1.00 0.00 C ATOM 1266 C THR A 86 -7.453 7.837 1.827 1.00 0.00 C ATOM 1267 O THR A 86 -6.239 8.035 1.897 1.00 0.00 O ATOM 1268 CB THR A 86 -7.191 6.511 3.929 1.00 0.00 C ATOM 1269 OG1 THR A 86 -7.649 5.360 4.614 1.00 0.00 O ATOM 1270 CG2 THR A 86 -7.018 7.617 4.948 1.00 0.00 C ATOM 0 H THR A 86 -9.603 5.666 1.903 1.00 0.00 H new ATOM 0 HA THR A 86 -9.018 7.383 3.207 1.00 0.00 H new ATOM 0 HB THR A 86 -6.229 6.327 3.451 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.025 5.139 5.336 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.330 7.289 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.616 8.504 4.458 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.984 7.855 5.394 1.00 0.00 H new ATOM 1278 N CYS A 87 -8.230 8.428 0.926 1.00 0.00 N ATOM 1279 CA CYS A 87 -7.687 9.363 -0.054 1.00 0.00 C ATOM 1280 C CYS A 87 -8.274 10.760 0.129 1.00 0.00 C ATOM 1281 O CYS A 87 -9.482 10.917 0.311 1.00 0.00 O ATOM 1282 CB CYS A 87 -7.969 8.867 -1.473 1.00 0.00 C ATOM 1283 SG CYS A 87 -6.654 7.818 -2.169 1.00 0.00 S ATOM 0 H CYS A 87 -9.236 8.277 0.853 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.610 9.420 0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.904 8.306 -1.471 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.115 9.728 -2.125 1.00 0.00 H new ATOM 1288 N TYR A 88 -7.411 11.769 0.067 1.00 0.00 N ATOM 1289 CA TYR A 88 -7.840 13.156 0.214 1.00 0.00 C ATOM 1290 C TYR A 88 -8.201 13.747 -1.143 1.00 0.00 C ATOM 1291 O TYR A 88 -7.739 14.830 -1.507 1.00 0.00 O ATOM 1292 CB TYR A 88 -6.740 13.987 0.874 1.00 0.00 C ATOM 1293 CG TYR A 88 -6.148 13.332 2.100 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -6.911 12.481 2.889 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -4.827 13.559 2.467 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -6.377 11.876 4.010 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -4.286 12.957 3.588 1.00 0.00 C ATOM 1298 CZ TYR A 88 -5.064 12.117 4.355 1.00 0.00 C ATOM 1299 OH TYR A 88 -4.529 11.515 5.470 1.00 0.00 O ATOM 0 H TYR A 88 -6.409 11.652 -0.084 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.724 13.177 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.947 14.168 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.146 14.960 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.940 12.289 2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.214 14.216 1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.985 11.218 4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.258 13.144 3.861 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.593 11.788 5.572 1.00 0.00 H new ATOM 1309 N TYR A 89 -9.026 13.022 -1.889 1.00 0.00 N ATOM 1310 CA TYR A 89 -9.454 13.458 -3.212 1.00 0.00 C ATOM 1311 C TYR A 89 -10.590 12.574 -3.719 1.00 0.00 C ATOM 1312 O TYR A 89 -11.050 11.679 -3.010 1.00 0.00 O ATOM 1313 CB TYR A 89 -8.273 13.421 -4.185 1.00 0.00 C ATOM 1314 CG TYR A 89 -8.485 14.244 -5.436 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -8.990 15.537 -5.365 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -8.184 13.725 -6.688 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -9.189 16.288 -6.507 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -8.378 14.470 -7.835 1.00 0.00 C ATOM 1319 CZ TYR A 89 -8.881 15.750 -7.739 1.00 0.00 C ATOM 1320 OH TYR A 89 -9.078 16.494 -8.879 1.00 0.00 O ATOM 0 H TYR A 89 -9.414 12.125 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.818 14.483 -3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.381 13.780 -3.672 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.082 12.386 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.231 15.961 -4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.792 12.722 -6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.584 17.291 -6.436 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.137 14.052 -8.801 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.810 15.969 -9.662 1.00 0.00 H new ATOM 1330 N HIS A 90 -11.043 12.825 -4.943 1.00 0.00 N ATOM 1331 CA HIS A 90 -12.127 12.043 -5.524 1.00 0.00 C ATOM 1332 C HIS A 90 -11.964 11.916 -7.037 1.00 0.00 C ATOM 1333 O HIS A 90 -11.945 12.914 -7.757 1.00 0.00 O ATOM 1334 CB HIS A 90 -13.479 12.677 -5.178 1.00 0.00 C ATOM 1335 CG HIS A 90 -14.249 13.168 -6.365 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -14.121 14.445 -6.871 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -15.165 12.547 -7.144 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -14.926 14.589 -7.908 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -15.569 13.451 -8.096 1.00 0.00 N ATOM 0 H HIS A 90 -10.678 13.560 -5.549 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.091 11.040 -5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.085 11.945 -4.644 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -13.313 13.511 -4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -15.513 11.530 -7.037 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.039 15.485 -8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.255 13.272 -8.830 1.00 0.00 H new ATOM 1348 N LYS A 91 -11.847 10.678 -7.507 1.00 0.00 N ATOM 1349 CA LYS A 91 -11.688 10.409 -8.930 1.00 0.00 C ATOM 1350 C LYS A 91 -10.372 10.979 -9.453 1.00 0.00 C ATOM 1351 O LYS A 91 -10.349 12.040 -10.079 1.00 0.00 O ATOM 1352 CB LYS A 91 -12.865 10.993 -9.716 1.00 0.00 C ATOM 1353 CG LYS A 91 -13.847 9.941 -10.206 1.00 0.00 C ATOM 1354 CD LYS A 91 -15.086 9.883 -9.325 1.00 0.00 C ATOM 1355 CE LYS A 91 -14.983 8.774 -8.290 1.00 0.00 C ATOM 1356 NZ LYS A 91 -16.169 8.742 -7.387 1.00 0.00 N ATOM 0 H LYS A 91 -11.860 9.844 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.670 9.328 -9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.394 11.707 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.481 11.547 -10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.139 10.164 -11.232 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -13.361 8.965 -10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.221 10.840 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.968 9.722 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.886 7.813 -8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.079 8.914 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.059 7.972 -6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.247 9.649 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.029 8.583 -7.949 1.00 0.00 H new ATOM 1370 N SER A 92 -9.279 10.267 -9.197 1.00 0.00 N ATOM 1371 CA SER A 92 -7.960 10.700 -9.645 1.00 0.00 C ATOM 1372 C SER A 92 -7.969 10.997 -11.140 1.00 0.00 C ATOM 1373 O SER A 92 -6.892 11.321 -11.686 1.00 0.00 O ATOM 1374 CB SER A 92 -6.914 9.629 -9.326 1.00 0.00 C ATOM 1375 OG SER A 92 -6.781 9.448 -7.927 1.00 0.00 O ATOM 1376 OXT SER A 92 -9.053 10.905 -11.754 1.00 0.00 O ATOM 0 H SER A 92 -9.281 9.387 -8.681 1.00 0.00 H new ATOM 0 HA SER A 92 -7.701 11.616 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.200 8.686 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.953 9.917 -9.752 1.00 0.00 H new ATOM 0 HG SER A 92 -6.108 8.758 -7.749 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.368 -1.063 2.486 1.00 0.00 C HETATM 1384 C2 NAG A 178 13.712 -1.342 3.124 1.00 0.00 C HETATM 1385 C3 NAG A 178 13.916 -2.835 3.330 1.00 0.00 C HETATM 1386 C4 NAG A 178 12.726 -3.439 4.052 1.00 0.00 C HETATM 1387 C5 NAG A 178 11.434 -3.085 3.331 1.00 0.00 C HETATM 1388 C6 NAG A 178 10.199 -3.582 4.055 1.00 0.00 C HETATM 1389 C7 NAG A 178 15.531 0.166 2.665 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.580 0.665 1.689 1.00 0.00 C HETATM 1391 N2 NAG A 178 14.753 -0.830 2.260 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.087 -3.044 4.106 1.00 0.00 O HETATM 1393 O4 NAG A 178 12.868 -4.872 4.090 1.00 0.00 O HETATM 1394 O5 NAG A 178 11.293 -1.665 3.216 1.00 0.00 O HETATM 1395 O6 NAG A 178 10.190 -3.154 5.408 1.00 0.00 O HETATM 1396 O7 NAG A 178 15.427 0.687 3.776 1.00 0.00 O HETATM 0 HO6 NAG A 178 9.382 -3.487 5.851 1.00 0.00 H new HETATM 0 HO3 NAG A 178 15.222 -4.005 4.243 1.00 0.00 H new HETATM 0 HN2 NAG A 178 14.890 -1.237 1.335 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.258 -0.150 1.436 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.092 1.026 0.784 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.144 1.478 2.146 1.00 0.00 H new HETATM 0 H62 NAG A 178 9.306 -3.216 3.549 1.00 0.00 H new HETATM 0 H61 NAG A 178 10.164 -4.671 4.015 1.00 0.00 H new HETATM 0 H5 NAG A 178 11.506 -3.567 2.356 1.00 0.00 H new HETATM 0 H4 NAG A 178 12.689 -3.039 5.065 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.019 -3.314 2.356 1.00 0.00 H new HETATM 0 H2 NAG A 178 13.750 -0.853 4.098 1.00 0.00 H new HETATM 1410 C1 NAG A 179 12.209 -5.522 5.120 1.00 0.00 C HETATM 1411 C2 NAG A 179 11.940 -6.966 4.732 1.00 0.00 C HETATM 1412 C3 NAG A 179 11.264 -7.694 5.873 1.00 0.00 C HETATM 1413 C4 NAG A 179 12.065 -7.544 7.152 1.00 0.00 C HETATM 1414 C5 NAG A 179 12.379 -6.076 7.428 1.00 0.00 C HETATM 1415 C6 NAG A 179 13.315 -5.896 8.607 1.00 0.00 C HETATM 1416 C7 NAG A 179 11.471 -6.486 2.407 1.00 0.00 C HETATM 1417 C8 NAG A 179 10.461 -6.474 1.270 1.00 0.00 C HETATM 1418 N2 NAG A 179 11.075 -7.005 3.566 1.00 0.00 N HETATM 1419 O3 NAG A 179 11.157 -9.071 5.547 1.00 0.00 O HETATM 1420 O4 NAG A 179 11.275 -8.059 8.239 1.00 0.00 O HETATM 1421 O5 NAG A 179 13.021 -5.453 6.295 1.00 0.00 O HETATM 1422 O6 NAG A 179 13.600 -4.524 8.834 1.00 0.00 O HETATM 1423 O7 NAG A 179 12.602 -6.038 2.223 1.00 0.00 O HETATM 0 HO6 NAG A 179 13.584 -4.041 7.981 1.00 0.00 H new HETATM 0 HO3 NAG A 179 10.721 -9.549 6.283 1.00 0.00 H new HETATM 0 HN2 NAG A 179 10.153 -7.435 3.637 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.157 -7.496 1.042 1.00 0.00 H new HETATM 0 H82 NAG A 179 9.587 -5.893 1.565 1.00 0.00 H new HETATM 0 H81 NAG A 179 10.914 -6.025 0.386 1.00 0.00 H new HETATM 0 H62 NAG A 179 12.865 -6.329 9.501 1.00 0.00 H new HETATM 0 H61 NAG A 179 14.243 -6.437 8.423 1.00 0.00 H new HETATM 0 H5 NAG A 179 11.415 -5.613 7.640 1.00 0.00 H new HETATM 0 H4 NAG A 179 13.004 -8.088 7.052 1.00 0.00 H new HETATM 0 H3 NAG A 179 10.274 -7.265 6.028 1.00 0.00 H new HETATM 0 H2 NAG A 179 12.889 -7.451 4.505 1.00 0.00 H new HETATM 1437 C1 BMA A 180 11.931 -8.771 9.232 1.00 0.00 C HETATM 1438 C2 BMA A 180 11.004 -8.884 10.431 1.00 0.00 C HETATM 1439 C3 BMA A 180 11.592 -9.786 11.484 1.00 0.00 C HETATM 1440 C4 BMA A 180 11.988 -11.118 10.885 1.00 0.00 C HETATM 1441 C5 BMA A 180 12.907 -10.913 9.693 1.00 0.00 C HETATM 1442 C6 BMA A 180 13.251 -12.214 9.004 1.00 0.00 C HETATM 1443 O2 BMA A 180 9.760 -9.420 10.007 1.00 0.00 O HETATM 1444 O3 BMA A 180 10.605 -9.996 12.501 1.00 0.00 O HETATM 1445 O4 BMA A 180 12.665 -11.883 11.871 1.00 0.00 O HETATM 1446 O5 BMA A 180 12.287 -10.061 8.705 1.00 0.00 O HETATM 1447 O6 BMA A 180 14.634 -12.186 8.616 1.00 0.00 O HETATM 0 HO4 BMA A 180 12.046 -12.534 12.262 1.00 0.00 H new HETATM 0 HO2 BMA A 180 9.409 -10.018 10.699 1.00 0.00 H new HETATM 0 H62 BMA A 180 13.064 -13.055 9.672 1.00 0.00 H new HETATM 0 H61 BMA A 180 12.617 -12.356 8.129 1.00 0.00 H new HETATM 0 H5 BMA A 180 13.813 -10.457 10.092 1.00 0.00 H new HETATM 0 H4 BMA A 180 11.091 -11.639 10.551 1.00 0.00 H new HETATM 0 H3 BMA A 180 12.483 -9.320 11.904 1.00 0.00 H new HETATM 0 H2 BMA A 180 10.868 -7.891 10.859 1.00 0.00 H new HETATM 1457 C1 MAN A 181 11.008 -9.634 13.780 1.00 0.00 C HETATM 1458 C2 MAN A 181 9.870 -9.942 14.746 1.00 0.00 C HETATM 1459 C3 MAN A 181 8.711 -8.969 14.561 1.00 0.00 C HETATM 1460 C4 MAN A 181 9.203 -7.532 14.588 1.00 0.00 C HETATM 1461 C5 MAN A 181 10.330 -7.338 13.587 1.00 0.00 C HETATM 1462 C6 MAN A 181 10.932 -5.948 13.654 1.00 0.00 C HETATM 1463 O2 MAN A 181 10.354 -9.844 16.094 1.00 0.00 O HETATM 1464 O3 MAN A 181 7.772 -9.158 15.611 1.00 0.00 O HETATM 1465 O4 MAN A 181 8.129 -6.667 14.252 1.00 0.00 O HETATM 1466 O5 MAN A 181 11.395 -8.265 13.841 1.00 0.00 O HETATM 1467 O6 MAN A 181 9.967 -4.953 13.348 1.00 0.00 O HETATM 0 HO6 MAN A 181 10.383 -4.067 13.401 1.00 0.00 H new HETATM 0 HO4 MAN A 181 8.483 -5.846 13.852 1.00 0.00 H new HETATM 0 HO3 MAN A 181 8.003 -9.966 16.115 1.00 0.00 H new HETATM 0 H62 MAN A 181 11.336 -5.772 14.651 1.00 0.00 H new HETATM 0 H61 MAN A 181 11.766 -5.876 12.955 1.00 0.00 H new HETATM 0 H5 MAN A 181 9.886 -7.498 12.605 1.00 0.00 H new HETATM 0 H4 MAN A 181 9.574 -7.303 15.587 1.00 0.00 H new HETATM 0 H3 MAN A 181 8.245 -9.161 13.595 1.00 0.00 H new HETATM 0 H2 MAN A 181 9.511 -10.951 14.542 1.00 0.00 H new HETATM 1478 C1 MAN A 182 15.322 -13.387 8.846 1.00 0.00 C HETATM 1479 C2 MAN A 182 14.686 -14.491 7.987 1.00 0.00 C HETATM 1480 C3 MAN A 182 13.399 -15.027 8.602 1.00 0.00 C HETATM 1481 C4 MAN A 182 13.638 -15.450 10.037 1.00 0.00 C HETATM 1482 C5 MAN A 182 14.189 -14.288 10.843 1.00 0.00 C HETATM 1483 C6 MAN A 182 14.565 -14.699 12.253 1.00 0.00 C HETATM 1484 O2 MAN A 182 15.609 -15.582 7.882 1.00 0.00 O HETATM 1485 O3 MAN A 182 12.966 -16.152 7.851 1.00 0.00 O HETATM 1486 O4 MAN A 182 12.414 -15.883 10.610 1.00 0.00 O HETATM 1487 O5 MAN A 182 15.387 -13.751 10.238 1.00 0.00 O HETATM 1488 O6 MAN A 182 15.074 -13.598 12.991 1.00 0.00 O HETATM 0 HO6 MAN A 182 14.500 -12.816 12.850 1.00 0.00 H new HETATM 0 HO4 MAN A 182 11.889 -16.363 9.936 1.00 0.00 H new HETATM 0 HO3 MAN A 182 13.746 -16.653 7.534 1.00 0.00 H new HETATM 0 H62 MAN A 182 13.691 -15.107 12.761 1.00 0.00 H new HETATM 0 H61 MAN A 182 15.312 -15.492 12.216 1.00 0.00 H new HETATM 0 H5 MAN A 182 13.392 -13.545 10.865 1.00 0.00 H new HETATM 0 H4 MAN A 182 14.362 -16.265 10.051 1.00 0.00 H new HETATM 0 H3 MAN A 182 12.640 -14.244 8.586 1.00 0.00 H new HETATM 0 H2 MAN A 182 14.452 -14.059 7.014 1.00 0.00 H new HETATM 1499 C1 NAG A 183 16.792 -15.347 7.205 1.00 0.00 C HETATM 1500 C2 NAG A 183 17.836 -16.334 7.718 1.00 0.00 C HETATM 1501 C3 NAG A 183 19.137 -16.168 6.950 1.00 0.00 C HETATM 1502 C4 NAG A 183 18.878 -16.258 5.457 1.00 0.00 C HETATM 1503 C5 NAG A 183 17.755 -15.314 5.053 1.00 0.00 C HETATM 1504 C6 NAG A 183 17.373 -15.449 3.592 1.00 0.00 C HETATM 1505 C7 NAG A 183 18.503 -14.904 9.542 1.00 0.00 C HETATM 1506 C8 NAG A 183 18.597 -14.679 11.043 1.00 0.00 C HETATM 1507 N2 NAG A 183 18.071 -16.090 9.129 1.00 0.00 N HETATM 1508 O3 NAG A 183 20.039 -17.196 7.336 1.00 0.00 O HETATM 1509 O4 NAG A 183 20.072 -15.891 4.740 1.00 0.00 O HETATM 1510 O5 NAG A 183 16.570 -15.574 5.819 1.00 0.00 O HETATM 1511 O6 NAG A 183 18.395 -14.949 2.744 1.00 0.00 O HETATM 1512 O7 NAG A 183 18.825 -14.002 8.767 1.00 0.00 O HETATM 0 HO6 NAG A 183 19.257 -14.994 3.209 1.00 0.00 H new HETATM 0 HO3 NAG A 183 20.880 -17.096 6.843 1.00 0.00 H new HETATM 0 HN2 NAG A 183 17.904 -16.833 9.807 1.00 0.00 H new HETATM 0 H83 NAG A 183 17.611 -14.800 11.492 1.00 0.00 H new HETATM 0 H82 NAG A 183 19.285 -15.405 11.477 1.00 0.00 H new HETATM 0 H81 NAG A 183 18.963 -13.671 11.238 1.00 0.00 H new HETATM 0 H62 NAG A 183 17.184 -16.497 3.359 1.00 0.00 H new HETATM 0 H61 NAG A 183 16.445 -14.908 3.405 1.00 0.00 H new HETATM 0 H5 NAG A 183 18.138 -14.310 5.238 1.00 0.00 H new HETATM 0 H4 NAG A 183 18.591 -17.282 5.216 1.00 0.00 H new HETATM 0 H3 NAG A 183 19.566 -15.192 7.176 1.00 0.00 H new HETATM 0 H2 NAG A 183 17.469 -17.350 7.574 1.00 0.00 H new HETATM 1526 C1 NAG A 184 10.130 -10.958 16.878 1.00 0.00 C HETATM 1527 C2 NAG A 184 10.547 -10.677 18.324 1.00 0.00 C HETATM 1528 C3 NAG A 184 10.174 -11.845 19.217 1.00 0.00 C HETATM 1529 C4 NAG A 184 8.707 -12.190 19.050 1.00 0.00 C HETATM 1530 C5 NAG A 184 8.375 -12.406 17.582 1.00 0.00 C HETATM 1531 C6 NAG A 184 6.896 -12.646 17.350 1.00 0.00 C HETATM 1532 C7 NAG A 184 12.560 -9.478 17.721 1.00 0.00 C HETATM 1533 C8 NAG A 184 14.077 -9.399 17.760 1.00 0.00 C HETATM 1534 N2 NAG A 184 11.985 -10.474 18.389 1.00 0.00 N HETATM 1535 O3 NAG A 184 10.422 -11.496 20.570 1.00 0.00 O HETATM 1536 O4 NAG A 184 8.417 -13.399 19.780 1.00 0.00 O HETATM 1537 O5 NAG A 184 8.734 -11.254 16.803 1.00 0.00 O HETATM 1538 O6 NAG A 184 6.618 -12.857 15.974 1.00 0.00 O HETATM 1539 O7 NAG A 184 11.921 -8.630 17.099 1.00 0.00 O HETATM 0 HO6 NAG A 184 7.237 -12.326 15.430 1.00 0.00 H new HETATM 0 HO3 NAG A 184 10.181 -12.247 21.151 1.00 0.00 H new HETATM 0 HN2 NAG A 184 12.559 -11.102 18.952 1.00 0.00 H new HETATM 0 H83 NAG A 184 14.409 -9.286 18.792 1.00 0.00 H new HETATM 0 H82 NAG A 184 14.500 -10.312 17.341 1.00 0.00 H new HETATM 0 H81 NAG A 184 14.412 -8.542 17.175 1.00 0.00 H new HETATM 0 H62 NAG A 184 6.571 -13.512 17.926 1.00 0.00 H new HETATM 0 H61 NAG A 184 6.325 -11.791 17.712 1.00 0.00 H new HETATM 0 H5 NAG A 184 8.943 -13.286 17.280 1.00 0.00 H new HETATM 0 H4 NAG A 184 8.106 -11.365 19.432 1.00 0.00 H new HETATM 0 H3 NAG A 184 10.774 -12.711 18.938 1.00 0.00 H new HETATM 0 H2 NAG A 184 10.029 -9.781 18.666 1.00 0.00 H new HETATM 1553 C1 GAL A 185 7.541 -13.284 20.850 1.00 0.00 C HETATM 1554 C2 GAL A 185 6.147 -12.921 20.345 1.00 0.00 C HETATM 1555 C3 GAL A 185 5.149 -12.929 21.489 1.00 0.00 C HETATM 1556 C4 GAL A 185 5.217 -14.241 22.246 1.00 0.00 C HETATM 1557 C5 GAL A 185 6.645 -14.541 22.673 1.00 0.00 C HETATM 1558 C6 GAL A 185 6.773 -15.901 23.325 1.00 0.00 C HETATM 1559 O2 GAL A 185 6.179 -11.624 19.769 1.00 0.00 O HETATM 1560 O3 GAL A 185 3.839 -12.759 20.966 1.00 0.00 O HETATM 1561 O4 GAL A 185 4.756 -15.288 21.404 1.00 0.00 O HETATM 1562 O5 GAL A 185 7.533 -14.541 21.539 1.00 0.00 O HETATM 1563 O6 GAL A 185 5.966 -15.992 24.490 1.00 0.00 O HETATM 0 HO6 GAL A 185 6.067 -16.881 24.889 1.00 0.00 H new HETATM 0 HO4 GAL A 185 5.514 -15.673 20.916 1.00 0.00 H new HETATM 0 HO3 GAL A 185 3.414 -13.635 20.857 1.00 0.00 H new HETATM 0 HO2 GAL A 185 5.312 -11.427 19.358 1.00 0.00 H new HETATM 0 H62 GAL A 185 6.481 -16.676 22.616 1.00 0.00 H new HETATM 0 H61 GAL A 185 7.815 -16.085 23.586 1.00 0.00 H new HETATM 0 H5 GAL A 185 6.911 -13.759 23.384 1.00 0.00 H new HETATM 0 H4 GAL A 185 4.592 -14.165 23.136 1.00 0.00 H new HETATM 0 H3 GAL A 185 5.391 -12.115 22.173 1.00 0.00 H new HETATM 0 H2 GAL A 185 5.842 -13.656 19.601 1.00 0.00 H new HETATM 1575 C1 GAL A 186 20.712 -16.891 4.025 1.00 0.00 C HETATM 1576 C2 GAL A 186 19.717 -17.597 3.104 1.00 0.00 C HETATM 1577 C3 GAL A 186 20.433 -18.579 2.197 1.00 0.00 C HETATM 1578 C4 GAL A 186 21.570 -17.893 1.464 1.00 0.00 C HETATM 1579 C5 GAL A 186 22.494 -17.193 2.450 1.00 0.00 C HETATM 1580 C6 GAL A 186 23.578 -16.394 1.751 1.00 0.00 C HETATM 1581 O2 GAL A 186 18.767 -18.307 3.886 1.00 0.00 O HETATM 1582 O3 GAL A 186 19.511 -19.098 1.250 1.00 0.00 O HETATM 1583 O4 GAL A 186 21.031 -16.931 0.568 1.00 0.00 O HETATM 1584 O5 GAL A 186 21.764 -16.265 3.274 1.00 0.00 O HETATM 1585 O6 GAL A 186 24.405 -15.716 2.686 1.00 0.00 O HETATM 0 HO6 GAL A 186 23.887 -15.510 3.492 1.00 0.00 H new HETATM 0 HO4 GAL A 186 20.963 -16.065 1.021 1.00 0.00 H new HETATM 0 HO3 GAL A 186 19.564 -18.576 0.422 1.00 0.00 H new HETATM 0 HO2 GAL A 186 18.433 -19.075 3.377 1.00 0.00 H new HETATM 0 H62 GAL A 186 24.187 -17.060 1.140 1.00 0.00 H new HETATM 0 H61 GAL A 186 23.121 -15.671 1.075 1.00 0.00 H new HETATM 0 H5 GAL A 186 22.940 -17.987 3.049 1.00 0.00 H new HETATM 0 H4 GAL A 186 22.141 -18.643 0.916 1.00 0.00 H new HETATM 0 H3 GAL A 186 20.842 -19.387 2.804 1.00 0.00 H new HETATM 0 H2 GAL A 186 19.218 -16.844 2.494 1.00 0.00 H new