USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=50 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 183 NAG O6 : rot -37:sc= 0.0442 USER MOD Set 1.2: A 186 GAL O6 : rot 180:sc= 0 USER MOD Set 2.1: A 90 HIS :FLIP no HE2:sc= -0.526 F(o=-5.9!,f=-1.9) USER MOD Set 2.2: A 92 SER OG : rot -170:sc= -1.42! USER MOD Set 3.1: A 85 SER OG : rot 180:sc= 0.185! USER MOD Set 3.2: A 86 THR OG1 : rot 25:sc= -0.288! USER MOD Set 4.1: A 52 ASN :FLIP amide:sc= 1.04 F(o=-0.031,f=1.9) USER MOD Set 4.2: A 55 SER OG : rot -173:sc= 0.882 USER MOD Set 5.1: A 27 GLN : amide:sc= -0.301 K(o=-17,f=-19) USER MOD Set 5.2: A 79 HIS : no HD1:sc= -16.8! C(o=-17!,f=-19!) USER MOD Set 6.1: A 11 THR OG1 : rot -96:sc= -0.245! USER MOD Set 6.2: A 13 GLN : amide:sc= 0 X(o=-0.25,f=-0.33) USER MOD Single : A 1 ALA N :NH3+ 156:sc= -0.0108 (180deg=-0.199) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.293 F(o=-1.8!,f=-0.29) USER MOD Single : A 15 ASN : amide:sc= -15.7! C(o=-16!,f=-21!) USER MOD Single : A 19 SER OG : rot -36:sc= 0.68! USER MOD Single : A 20 GLN : amide:sc= -0.47 K(o=-0.47,f=-3.3!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 63:sc= -0.546! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 26:sc= -0.159! USER MOD Single : A 43 SER OG : rot -130:sc= -0.736 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 -136:sc= 0.373 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 69:sc= 0.729 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= -0.561 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.541 K(o=-0.54,f=-4.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 71 MET CE :methyl -103:sc= -8.5! (180deg=-13.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -2.41! USER MOD Single : A 83 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-7.2!) 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 91 LYS NZ :NH3+ 167:sc= -0.175 (180deg=-0.557) USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc= -0.0249 USER MOD Single : A 179 NAG O3 : rot -100:sc= 0.645 USER MOD Single : A 179 NAG O6 : rot -36:sc= 0.066 USER MOD Single : A 180 BMA O2 : rot -32:sc= 0.0776 USER MOD Single : A 180 BMA O4 : rot 150:sc= -0.0182 USER MOD Single : A 181 MAN O3 : rot -13:sc= 1.24 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0 USER MOD Single : A 182 MAN O3 : rot 32:sc= 0.0653 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot -26:sc= 0.0555 USER MOD Single : A 183 NAG O3 : rot 8:sc= 0.197 USER MOD Single : A 184 NAG O3 : rot 160:sc= 1.25 USER MOD Single : A 184 NAG O6 : rot -36:sc= 0.0314 USER MOD Single : A 185 GAL O2 : rot 37:sc= 0.00187 USER MOD Single : A 185 GAL O3 : rot 86:sc= 0.095 USER MOD Single : A 185 GAL O4 : rot 123:sc= 1.2 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0.795 USER MOD Single : A 186 GAL O2 : rot 27:sc= 0.00172 USER MOD Single : A 186 GAL O3 : rot 86:sc= 0.0787 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0949 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.032 5.279 -8.037 1.00 0.00 N ATOM 2 CA ALA A 1 -4.088 6.355 -9.059 1.00 0.00 C ATOM 3 C ALA A 1 -4.356 5.781 -10.445 1.00 0.00 C ATOM 4 O ALA A 1 -3.458 5.710 -11.283 1.00 0.00 O ATOM 5 CB ALA A 1 -2.789 7.148 -9.064 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.471 5.602 -7.223 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.996 5.048 -7.723 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.590 4.432 -8.448 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.910 7.022 -8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.845 7.933 -9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.633 7.597 -8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.957 6.482 -9.294 1.00 0.00 H new ATOM 13 N PRO A 2 -5.605 5.367 -10.703 1.00 0.00 N ATOM 14 CA PRO A 2 -6.001 4.802 -11.997 1.00 0.00 C ATOM 15 C PRO A 2 -5.735 5.770 -13.144 1.00 0.00 C ATOM 16 O PRO A 2 -5.057 6.783 -12.968 1.00 0.00 O ATOM 17 CB PRO A 2 -7.507 4.549 -11.842 1.00 0.00 C ATOM 18 CG PRO A 2 -7.925 5.368 -10.667 1.00 0.00 C ATOM 19 CD PRO A 2 -6.730 5.428 -9.761 1.00 0.00 C ATOM 0 HA PRO A 2 -5.436 3.902 -12.240 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.050 4.844 -12.740 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.713 3.491 -11.678 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.231 6.367 -10.977 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.778 4.916 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.715 6.345 -9.172 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.714 4.596 -9.057 1.00 0.00 H new ATOM 27 N ASP A 3 -6.272 5.455 -14.318 1.00 0.00 N ATOM 28 CA ASP A 3 -6.091 6.301 -15.491 1.00 0.00 C ATOM 29 C ASP A 3 -4.788 5.968 -16.216 1.00 0.00 C ATOM 30 O ASP A 3 -4.606 6.330 -17.377 1.00 0.00 O ATOM 31 CB ASP A 3 -6.102 7.777 -15.085 1.00 0.00 C ATOM 32 CG ASP A 3 -7.113 8.066 -13.993 1.00 0.00 C ATOM 33 OD1 ASP A 3 -7.926 7.169 -13.684 1.00 0.00 O ATOM 34 OD2 ASP A 3 -7.094 9.190 -13.448 1.00 0.00 O ATOM 0 H ASP A 3 -6.836 4.621 -14.482 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.919 6.111 -16.174 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.108 8.065 -14.742 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.328 8.390 -15.958 1.00 0.00 H new ATOM 39 N VAL A 4 -3.887 5.276 -15.525 1.00 0.00 N ATOM 40 CA VAL A 4 -2.609 4.893 -16.111 1.00 0.00 C ATOM 41 C VAL A 4 -2.797 3.811 -17.170 1.00 0.00 C ATOM 42 O VAL A 4 -3.737 3.869 -17.964 1.00 0.00 O ATOM 43 CB VAL A 4 -1.623 4.394 -15.038 1.00 0.00 C ATOM 44 CG1 VAL A 4 -0.188 4.659 -15.468 1.00 0.00 C ATOM 45 CG2 VAL A 4 -1.914 5.050 -13.698 1.00 0.00 C ATOM 0 H VAL A 4 -4.019 4.970 -14.561 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.192 5.785 -16.579 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.752 3.318 -14.925 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.495 4.300 -14.698 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.014 4.137 -16.404 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.043 5.730 -15.611 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.207 4.685 -12.953 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.815 6.131 -13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.929 4.805 -13.386 1.00 0.00 H new ATOM 55 N GLN A 5 -1.904 2.826 -17.185 1.00 0.00 N ATOM 56 CA GLN A 5 -1.988 1.740 -18.156 1.00 0.00 C ATOM 57 C GLN A 5 -1.658 0.398 -17.513 1.00 0.00 C ATOM 58 O GLN A 5 -1.263 -0.549 -18.195 1.00 0.00 O ATOM 59 CB GLN A 5 -1.044 2.006 -19.327 1.00 0.00 C ATOM 60 CG GLN A 5 -1.643 2.910 -20.395 1.00 0.00 C ATOM 61 CD GLN A 5 -1.207 2.542 -21.802 1.00 0.00 C ATOM 62 OE1 GLN A 5 -0.968 1.255 -22.038 1.00 0.00 O flip ATOM 63 NE2 GLN A 5 -1.091 3.405 -22.670 1.00 0.00 N flip ATOM 0 H GLN A 5 -1.117 2.757 -16.539 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.013 1.696 -18.524 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.128 2.460 -18.949 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.764 1.056 -19.781 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.730 2.863 -20.334 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.357 3.942 -20.191 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.284 4.381 -22.447 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.802 3.144 -23.613 1.00 0.00 H new ATOM 72 N ASP A 6 -1.826 0.321 -16.198 1.00 0.00 N ATOM 73 CA ASP A 6 -1.549 -0.906 -15.461 1.00 0.00 C ATOM 74 C ASP A 6 -1.826 -0.715 -13.974 1.00 0.00 C ATOM 75 O ASP A 6 -1.781 0.404 -13.463 1.00 0.00 O ATOM 76 CB ASP A 6 -0.098 -1.339 -15.674 1.00 0.00 C ATOM 77 CG ASP A 6 0.088 -2.837 -15.528 1.00 0.00 C ATOM 78 OD1 ASP A 6 -0.545 -3.591 -16.297 1.00 0.00 O ATOM 79 OD2 ASP A 6 0.866 -3.255 -14.645 1.00 0.00 O ATOM 0 H ASP A 6 -2.153 1.095 -15.620 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.209 -1.687 -15.839 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.228 -1.031 -16.667 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.540 -0.825 -14.955 1.00 0.00 H new ATOM 84 N CYS A 7 -2.115 -1.812 -13.283 1.00 0.00 N ATOM 85 CA CYS A 7 -2.401 -1.761 -11.854 1.00 0.00 C ATOM 86 C CYS A 7 -2.689 -3.155 -11.309 1.00 0.00 C ATOM 87 O CYS A 7 -3.845 -3.559 -11.185 1.00 0.00 O ATOM 88 CB CYS A 7 -3.588 -0.836 -11.584 1.00 0.00 C ATOM 89 SG CYS A 7 -3.259 0.448 -10.335 1.00 0.00 S ATOM 0 H CYS A 7 -2.157 -2.747 -13.689 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.522 -1.367 -11.344 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.879 -0.354 -12.517 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.437 -1.437 -11.257 1.00 0.00 H new ATOM 94 N PRO A 8 -1.631 -3.912 -10.985 1.00 0.00 N ATOM 95 CA PRO A 8 -1.752 -5.270 -10.460 1.00 0.00 C ATOM 96 C PRO A 8 -1.957 -5.310 -8.949 1.00 0.00 C ATOM 97 O PRO A 8 -1.163 -5.909 -8.223 1.00 0.00 O ATOM 98 CB PRO A 8 -0.407 -5.883 -10.828 1.00 0.00 C ATOM 99 CG PRO A 8 0.554 -4.743 -10.750 1.00 0.00 C ATOM 100 CD PRO A 8 -0.222 -3.501 -11.118 1.00 0.00 C ATOM 0 HA PRO A 8 -2.618 -5.792 -10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.133 -6.682 -10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.428 -6.317 -11.828 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.972 -4.656 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.391 -4.894 -11.432 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.016 -2.670 -10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.005 -3.174 -12.133 1.00 0.00 H new ATOM 108 N GLU A 9 -3.029 -4.683 -8.478 1.00 0.00 N ATOM 109 CA GLU A 9 -3.334 -4.666 -7.051 1.00 0.00 C ATOM 110 C GLU A 9 -2.378 -3.752 -6.287 1.00 0.00 C ATOM 111 O GLU A 9 -1.403 -3.248 -6.844 1.00 0.00 O ATOM 112 CB GLU A 9 -3.259 -6.085 -6.483 1.00 0.00 C ATOM 113 CG GLU A 9 -4.582 -6.594 -5.934 1.00 0.00 C ATOM 114 CD GLU A 9 -4.931 -7.977 -6.449 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.655 -8.256 -7.635 1.00 0.00 O ATOM 116 OE2 GLU A 9 -5.482 -8.781 -5.668 1.00 0.00 O ATOM 0 H GLU A 9 -3.700 -4.181 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.345 -4.277 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.916 -6.762 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.513 -6.110 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.535 -6.616 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.376 -5.898 -6.205 1.00 0.00 H new ATOM 123 N CYS A 10 -2.669 -3.550 -5.003 1.00 0.00 N ATOM 124 CA CYS A 10 -1.842 -2.702 -4.148 1.00 0.00 C ATOM 125 C CYS A 10 -0.829 -3.539 -3.369 1.00 0.00 C ATOM 126 O CYS A 10 -1.122 -4.664 -2.965 1.00 0.00 O ATOM 127 CB CYS A 10 -2.725 -1.921 -3.165 1.00 0.00 C ATOM 128 SG CYS A 10 -2.557 -2.442 -1.424 1.00 0.00 S ATOM 0 H CYS A 10 -3.473 -3.963 -4.532 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.302 -2.002 -4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.481 -0.861 -3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.767 -2.030 -3.465 1.00 0.00 H new ATOM 133 N THR A 11 0.353 -2.978 -3.142 1.00 0.00 N ATOM 134 CA THR A 11 1.396 -3.669 -2.389 1.00 0.00 C ATOM 135 C THR A 11 2.769 -3.128 -2.700 1.00 0.00 C ATOM 136 O THR A 11 2.977 -2.451 -3.705 1.00 0.00 O ATOM 137 CB THR A 11 1.412 -5.158 -2.691 1.00 0.00 C ATOM 138 OG1 THR A 11 0.835 -5.429 -3.957 1.00 0.00 O ATOM 139 CG2 THR A 11 0.689 -5.983 -1.663 1.00 0.00 C ATOM 0 H THR A 11 0.614 -2.047 -3.468 1.00 0.00 H new ATOM 0 HA THR A 11 1.160 -3.500 -1.338 1.00 0.00 H new ATOM 0 HB THR A 11 2.465 -5.439 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.107 -5.673 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.739 -7.036 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.157 -5.842 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.354 -5.670 -1.614 1.00 0.00 H new ATOM 147 N LEU A 12 3.714 -3.478 -1.845 1.00 0.00 N ATOM 148 CA LEU A 12 5.093 -3.069 -2.029 1.00 0.00 C ATOM 149 C LEU A 12 5.666 -3.753 -3.247 1.00 0.00 C ATOM 150 O LEU A 12 5.828 -4.973 -3.266 1.00 0.00 O ATOM 151 CB LEU A 12 5.925 -3.429 -0.816 1.00 0.00 C ATOM 152 CG LEU A 12 6.154 -2.297 0.170 1.00 0.00 C ATOM 153 CD1 LEU A 12 5.370 -2.544 1.448 1.00 0.00 C ATOM 154 CD2 LEU A 12 7.634 -2.182 0.441 1.00 0.00 C ATOM 0 H LEU A 12 3.549 -4.046 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 12 5.118 -1.988 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.438 -4.252 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.894 -3.795 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 12 5.799 -1.356 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.544 -1.725 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.307 -2.604 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.697 -3.481 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.813 -1.372 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.001 -3.118 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.159 -1.972 -0.491 1.00 0.00 H new ATOM 166 N GLN A 13 5.967 -2.972 -4.263 1.00 0.00 N ATOM 167 CA GLN A 13 6.513 -3.530 -5.475 1.00 0.00 C ATOM 168 C GLN A 13 7.995 -3.312 -5.533 1.00 0.00 C ATOM 169 O GLN A 13 8.540 -2.777 -6.497 1.00 0.00 O ATOM 170 CB GLN A 13 5.831 -2.937 -6.672 1.00 0.00 C ATOM 171 CG GLN A 13 4.324 -3.044 -6.574 1.00 0.00 C ATOM 172 CD GLN A 13 3.724 -3.924 -7.652 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.025 -3.771 -8.836 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.870 -4.856 -7.241 1.00 0.00 N ATOM 0 H GLN A 13 5.843 -1.960 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 13 6.333 -4.605 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.115 -1.889 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.173 -3.445 -7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.056 -3.443 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.889 -2.047 -6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.651 -4.945 -6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.434 -5.482 -7.918 1.00 0.00 H new ATOM 183 N GLU A 14 8.611 -3.734 -4.459 1.00 0.00 N ATOM 184 CA GLU A 14 10.048 -3.620 -4.274 1.00 0.00 C ATOM 185 C GLU A 14 10.705 -3.065 -5.510 1.00 0.00 C ATOM 186 O GLU A 14 10.646 -3.645 -6.594 1.00 0.00 O ATOM 187 CB GLU A 14 10.679 -4.950 -3.918 1.00 0.00 C ATOM 188 CG GLU A 14 12.194 -4.880 -3.804 1.00 0.00 C ATOM 189 CD GLU A 14 12.880 -6.099 -4.391 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.238 -7.168 -4.458 1.00 0.00 O ATOM 191 OE2 GLU A 14 14.058 -5.982 -4.788 1.00 0.00 O ATOM 0 H GLU A 14 8.129 -4.173 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 14 10.206 -2.934 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.265 -5.300 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.411 -5.687 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.552 -3.986 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.472 -4.782 -2.755 1.00 0.00 H new ATOM 198 N ASN A 15 11.310 -1.927 -5.327 1.00 0.00 N ATOM 199 CA ASN A 15 11.973 -1.231 -6.400 1.00 0.00 C ATOM 200 C ASN A 15 12.998 -2.098 -7.104 1.00 0.00 C ATOM 201 O ASN A 15 14.117 -2.273 -6.621 1.00 0.00 O ATOM 202 CB ASN A 15 12.630 0.035 -5.890 1.00 0.00 C ATOM 203 CG ASN A 15 12.220 1.231 -6.712 1.00 0.00 C ATOM 204 OD1 ASN A 15 12.920 1.636 -7.638 1.00 0.00 O ATOM 205 ND2 ASN A 15 11.071 1.791 -6.383 1.00 0.00 N ATOM 0 H ASN A 15 11.359 -1.451 -4.426 1.00 0.00 H new ATOM 0 HA ASN A 15 11.205 -0.972 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.356 0.196 -4.847 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.714 -0.077 -5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.728 2.597 -6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.526 1.418 -5.606 1.00 0.00 H new ATOM 212 N PRO A 16 12.647 -2.615 -8.289 1.00 0.00 N ATOM 213 CA PRO A 16 13.559 -3.413 -9.085 1.00 0.00 C ATOM 214 C PRO A 16 14.557 -2.495 -9.763 1.00 0.00 C ATOM 215 O PRO A 16 15.434 -2.922 -10.514 1.00 0.00 O ATOM 216 CB PRO A 16 12.659 -4.115 -10.113 1.00 0.00 C ATOM 217 CG PRO A 16 11.265 -3.610 -9.875 1.00 0.00 C ATOM 218 CD PRO A 16 11.368 -2.411 -8.971 1.00 0.00 C ATOM 0 HA PRO A 16 14.132 -4.133 -8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.984 -3.892 -11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.705 -5.197 -9.994 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.789 -3.340 -10.817 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.649 -4.384 -9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.357 -1.479 -9.536 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.538 -2.366 -8.266 1.00 0.00 H new ATOM 226 N PHE A 17 14.390 -1.215 -9.459 1.00 0.00 N ATOM 227 CA PHE A 17 15.230 -0.154 -9.978 1.00 0.00 C ATOM 228 C PHE A 17 16.363 0.137 -9.007 1.00 0.00 C ATOM 229 O PHE A 17 17.539 0.131 -9.376 1.00 0.00 O ATOM 230 CB PHE A 17 14.392 1.112 -10.164 1.00 0.00 C ATOM 231 CG PHE A 17 15.062 2.152 -11.009 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.277 1.886 -11.614 1.00 0.00 C ATOM 233 CD2 PHE A 17 14.477 3.393 -11.198 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.899 2.838 -12.398 1.00 0.00 C ATOM 235 CE2 PHE A 17 15.093 4.351 -11.982 1.00 0.00 C ATOM 236 CZ PHE A 17 16.307 4.073 -12.582 1.00 0.00 C ATOM 0 H PHE A 17 13.654 -0.884 -8.835 1.00 0.00 H new ATOM 0 HA PHE A 17 15.648 -0.468 -10.935 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.439 0.844 -10.619 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.169 1.538 -9.186 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.745 0.923 -11.472 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.530 3.615 -10.728 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.847 2.617 -12.867 1.00 0.00 H new ATOM 0 HE2 PHE A 17 14.627 5.315 -12.125 1.00 0.00 H new ATOM 0 HZ PHE A 17 16.792 4.820 -13.193 1.00 0.00 H new ATOM 246 N PHE A 18 15.988 0.396 -7.761 1.00 0.00 N ATOM 247 CA PHE A 18 16.947 0.696 -6.711 1.00 0.00 C ATOM 248 C PHE A 18 17.436 -0.584 -6.050 1.00 0.00 C ATOM 249 O PHE A 18 18.328 -0.560 -5.202 1.00 0.00 O ATOM 250 CB PHE A 18 16.304 1.627 -5.687 1.00 0.00 C ATOM 251 CG PHE A 18 15.451 2.672 -6.339 1.00 0.00 C ATOM 252 CD1 PHE A 18 15.943 3.398 -7.408 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.163 2.921 -5.902 1.00 0.00 C ATOM 254 CE1 PHE A 18 15.170 4.356 -8.031 1.00 0.00 C ATOM 255 CE2 PHE A 18 13.381 3.878 -6.523 1.00 0.00 C ATOM 256 CZ PHE A 18 13.886 4.597 -7.589 1.00 0.00 C ATOM 0 H PHE A 18 15.016 0.404 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 18 17.813 1.195 -7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.697 1.042 -4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.083 2.110 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.947 3.212 -7.760 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.764 2.363 -5.068 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.570 4.916 -8.863 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.376 4.063 -6.175 1.00 0.00 H new ATOM 0 HZ PHE A 18 13.277 5.345 -8.075 1.00 0.00 H new ATOM 266 N SER A 19 16.847 -1.706 -6.456 1.00 0.00 N ATOM 267 CA SER A 19 17.226 -3.004 -5.917 1.00 0.00 C ATOM 268 C SER A 19 18.741 -3.164 -5.937 1.00 0.00 C ATOM 269 O SER A 19 19.331 -3.513 -6.960 1.00 0.00 O ATOM 270 CB SER A 19 16.559 -4.129 -6.711 1.00 0.00 C ATOM 271 OG SER A 19 17.483 -4.761 -7.577 1.00 0.00 O ATOM 0 H SER A 19 16.106 -1.740 -7.156 1.00 0.00 H new ATOM 0 HA SER A 19 16.885 -3.063 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.139 -4.864 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.729 -3.726 -7.292 1.00 0.00 H new ATOM 0 HG SER A 19 18.104 -4.093 -7.936 1.00 0.00 H new ATOM 277 N GLN A 20 19.361 -2.894 -4.797 1.00 0.00 N ATOM 278 CA GLN A 20 20.806 -2.990 -4.660 1.00 0.00 C ATOM 279 C GLN A 20 21.194 -4.283 -3.960 1.00 0.00 C ATOM 280 O GLN A 20 20.386 -4.875 -3.245 1.00 0.00 O ATOM 281 CB GLN A 20 21.325 -1.795 -3.855 1.00 0.00 C ATOM 282 CG GLN A 20 22.558 -1.136 -4.446 1.00 0.00 C ATOM 283 CD GLN A 20 22.289 0.279 -4.918 1.00 0.00 C ATOM 284 OE1 GLN A 20 21.222 0.838 -4.664 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.258 0.868 -5.609 1.00 0.00 N ATOM 0 H GLN A 20 18.879 -2.604 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 20 21.251 -2.986 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.532 -1.052 -3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.554 -2.125 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 20 23.352 -1.122 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.919 -1.733 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.127 0.368 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.133 1.821 -5.952 1.00 0.00 H new ATOM 294 N PRO A 21 22.443 -4.733 -4.148 1.00 0.00 N ATOM 295 CA PRO A 21 22.944 -5.956 -3.517 1.00 0.00 C ATOM 296 C PRO A 21 22.837 -5.872 -1.999 1.00 0.00 C ATOM 297 O PRO A 21 23.845 -5.834 -1.294 1.00 0.00 O ATOM 298 CB PRO A 21 24.413 -6.016 -3.952 1.00 0.00 C ATOM 299 CG PRO A 21 24.482 -5.168 -5.175 1.00 0.00 C ATOM 300 CD PRO A 21 23.465 -4.080 -4.979 1.00 0.00 C ATOM 0 HA PRO A 21 22.377 -6.840 -3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.073 -5.638 -3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 21 24.722 -7.040 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 21 25.480 -4.751 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.262 -5.752 -6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 21 23.894 -3.210 -4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 21 23.054 -3.735 -5.928 1.00 0.00 H new ATOM 308 N GLY A 22 21.604 -5.824 -1.510 1.00 0.00 N ATOM 309 CA GLY A 22 21.367 -5.724 -0.085 1.00 0.00 C ATOM 310 C GLY A 22 20.315 -4.691 0.247 1.00 0.00 C ATOM 311 O GLY A 22 20.006 -4.462 1.417 1.00 0.00 O ATOM 0 H GLY A 22 20.759 -5.853 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.054 -6.695 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.298 -5.467 0.419 1.00 0.00 H new ATOM 315 N ALA A 23 19.761 -4.060 -0.781 1.00 0.00 N ATOM 316 CA ALA A 23 18.741 -3.044 -0.581 1.00 0.00 C ATOM 317 C ALA A 23 17.790 -2.978 -1.754 1.00 0.00 C ATOM 318 O ALA A 23 18.086 -2.407 -2.802 1.00 0.00 O ATOM 319 CB ALA A 23 19.391 -1.699 -0.322 1.00 0.00 C ATOM 0 H ALA A 23 20.001 -4.234 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 23 18.151 -3.317 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.619 -0.944 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 23 20.014 -1.762 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 23 20.009 -1.423 -1.177 1.00 0.00 H new ATOM 325 N PRO A 24 16.634 -3.606 -1.568 1.00 0.00 N ATOM 326 CA PRO A 24 15.583 -3.707 -2.553 1.00 0.00 C ATOM 327 C PRO A 24 14.419 -2.767 -2.289 1.00 0.00 C ATOM 328 O PRO A 24 13.379 -3.176 -1.776 1.00 0.00 O ATOM 329 CB PRO A 24 15.170 -5.160 -2.350 1.00 0.00 C ATOM 330 CG PRO A 24 15.396 -5.433 -0.886 1.00 0.00 C ATOM 331 CD PRO A 24 16.261 -4.326 -0.356 1.00 0.00 C ATOM 0 HA PRO A 24 15.898 -3.437 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.126 -5.315 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.765 -5.829 -2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.447 -5.470 -0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.879 -6.400 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.720 -3.689 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.134 -4.711 0.172 1.00 0.00 H new ATOM 339 N ILE A 25 14.613 -1.507 -2.645 1.00 0.00 N ATOM 340 CA ILE A 25 13.615 -0.483 -2.470 1.00 0.00 C ATOM 341 C ILE A 25 12.209 -0.955 -2.797 1.00 0.00 C ATOM 342 O ILE A 25 11.985 -2.136 -3.053 1.00 0.00 O ATOM 343 CB ILE A 25 13.990 0.733 -3.307 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.262 1.296 -2.734 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.894 1.771 -3.234 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.161 1.393 -1.237 1.00 0.00 C ATOM 0 H ILE A 25 15.479 -1.171 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 25 13.599 -0.217 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 25 14.124 0.453 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.105 0.661 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.455 2.282 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.172 2.636 -3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.965 1.347 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.753 2.079 -2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.088 1.802 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.331 2.047 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.991 0.401 -0.819 1.00 0.00 H new ATOM 358 N LEU A 26 11.250 -0.036 -2.710 1.00 0.00 N ATOM 359 CA LEU A 26 9.855 -0.369 -2.908 1.00 0.00 C ATOM 360 C LEU A 26 9.035 0.767 -3.454 1.00 0.00 C ATOM 361 O LEU A 26 9.545 1.753 -3.985 1.00 0.00 O ATOM 362 CB LEU A 26 9.317 -0.745 -1.552 1.00 0.00 C ATOM 363 CG LEU A 26 10.418 -0.885 -0.529 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.917 -0.603 0.872 1.00 0.00 C ATOM 365 CD2 LEU A 26 11.055 -2.261 -0.606 1.00 0.00 C ATOM 0 H LEU A 26 11.422 0.948 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 26 9.788 -1.171 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.607 0.013 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.769 -1.684 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 26 11.179 -0.140 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.738 -0.714 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.529 0.414 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.123 -1.307 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.846 -2.338 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.299 -3.023 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.478 -2.411 -1.599 1.00 0.00 H new ATOM 377 N GLN A 27 7.740 0.588 -3.294 1.00 0.00 N ATOM 378 CA GLN A 27 6.758 1.566 -3.740 1.00 0.00 C ATOM 379 C GLN A 27 5.349 0.976 -3.727 1.00 0.00 C ATOM 380 O GLN A 27 4.678 0.910 -4.757 1.00 0.00 O ATOM 381 CB GLN A 27 7.120 2.074 -5.137 1.00 0.00 C ATOM 382 CG GLN A 27 6.090 3.018 -5.736 1.00 0.00 C ATOM 383 CD GLN A 27 5.714 4.142 -4.792 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.657 4.112 -4.161 1.00 0.00 O ATOM 385 NE2 GLN A 27 6.582 5.141 -4.690 1.00 0.00 N ATOM 0 H GLN A 27 7.335 -0.237 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 27 6.771 2.407 -3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.082 2.585 -5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.245 1.220 -5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.484 3.441 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.195 2.454 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.446 5.124 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.385 5.926 -4.069 1.00 0.00 H new ATOM 394 N CYS A 28 4.912 0.548 -2.545 1.00 0.00 N ATOM 395 CA CYS A 28 3.584 -0.040 -2.368 1.00 0.00 C ATOM 396 C CYS A 28 2.585 0.493 -3.385 1.00 0.00 C ATOM 397 O CYS A 28 2.031 1.580 -3.217 1.00 0.00 O ATOM 398 CB CYS A 28 3.063 0.220 -0.953 1.00 0.00 C ATOM 399 SG CYS A 28 1.712 -0.891 -0.451 1.00 0.00 S ATOM 0 H CYS A 28 5.463 0.598 -1.688 1.00 0.00 H new ATOM 0 HA CYS A 28 3.688 -1.113 -2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.887 0.116 -0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.716 1.251 -0.888 1.00 0.00 H new ATOM 404 N MET A 29 2.345 -0.288 -4.432 1.00 0.00 N ATOM 405 CA MET A 29 1.393 0.095 -5.466 1.00 0.00 C ATOM 406 C MET A 29 0.000 0.245 -4.869 1.00 0.00 C ATOM 407 O MET A 29 -0.260 -0.218 -3.758 1.00 0.00 O ATOM 408 CB MET A 29 1.372 -0.952 -6.580 1.00 0.00 C ATOM 409 CG MET A 29 0.666 -0.488 -7.842 1.00 0.00 C ATOM 410 SD MET A 29 1.539 0.853 -8.672 1.00 0.00 S ATOM 411 CE MET A 29 0.768 0.810 -10.287 1.00 0.00 C ATOM 0 H MET A 29 2.797 -1.189 -4.587 1.00 0.00 H new ATOM 0 HA MET A 29 1.703 1.052 -5.886 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.397 -1.226 -6.828 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.882 -1.853 -6.211 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.565 -1.329 -8.527 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.342 -0.159 -7.590 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.203 1.584 -10.919 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.933 -0.166 -10.743 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.303 0.985 -10.184 1.00 0.00 H new ATOM 421 N GLY A 30 -0.896 0.895 -5.601 1.00 0.00 N ATOM 422 CA GLY A 30 -2.244 1.084 -5.104 1.00 0.00 C ATOM 423 C GLY A 30 -3.308 0.746 -6.127 1.00 0.00 C ATOM 424 O GLY A 30 -3.594 1.539 -7.025 1.00 0.00 O ATOM 0 H GLY A 30 -0.715 1.292 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.389 0.464 -4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.367 2.121 -4.790 1.00 0.00 H new ATOM 428 N CYS A 31 -3.902 -0.435 -5.987 1.00 0.00 N ATOM 429 CA CYS A 31 -4.949 -0.881 -6.900 1.00 0.00 C ATOM 430 C CYS A 31 -5.805 -1.963 -6.252 1.00 0.00 C ATOM 431 O CYS A 31 -6.003 -3.036 -6.821 1.00 0.00 O ATOM 432 CB CYS A 31 -4.342 -1.410 -8.201 1.00 0.00 C ATOM 433 SG CYS A 31 -2.775 -0.613 -8.674 1.00 0.00 S ATOM 0 H CYS A 31 -3.676 -1.101 -5.249 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.581 -0.023 -7.129 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.175 -2.482 -8.101 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.063 -1.274 -9.007 1.00 0.00 H new ATOM 438 N CYS A 32 -6.313 -1.672 -5.061 1.00 0.00 N ATOM 439 CA CYS A 32 -7.148 -2.623 -4.337 1.00 0.00 C ATOM 440 C CYS A 32 -8.125 -3.315 -5.285 1.00 0.00 C ATOM 441 O CYS A 32 -7.934 -4.477 -5.637 1.00 0.00 O ATOM 442 CB CYS A 32 -7.915 -1.915 -3.216 1.00 0.00 C ATOM 443 SG CYS A 32 -7.271 -2.258 -1.545 1.00 0.00 S ATOM 0 H CYS A 32 -6.162 -0.787 -4.577 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.499 -3.379 -3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.885 -0.840 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.962 -2.216 -3.260 1.00 0.00 H new ATOM 448 N PHE A 33 -9.164 -2.581 -5.692 1.00 0.00 N ATOM 449 CA PHE A 33 -10.189 -3.092 -6.607 1.00 0.00 C ATOM 450 C PHE A 33 -11.544 -3.188 -5.913 1.00 0.00 C ATOM 451 O PHE A 33 -12.510 -3.691 -6.487 1.00 0.00 O ATOM 452 CB PHE A 33 -9.808 -4.462 -7.178 1.00 0.00 C ATOM 453 CG PHE A 33 -8.652 -4.415 -8.136 1.00 0.00 C ATOM 454 CD1 PHE A 33 -8.501 -3.345 -9.004 1.00 0.00 C ATOM 455 CD2 PHE A 33 -7.720 -5.439 -8.173 1.00 0.00 C ATOM 456 CE1 PHE A 33 -7.442 -3.298 -9.890 1.00 0.00 C ATOM 457 CE2 PHE A 33 -6.658 -5.398 -9.057 1.00 0.00 C ATOM 458 CZ PHE A 33 -6.519 -4.326 -9.916 1.00 0.00 C ATOM 0 H PHE A 33 -9.319 -1.617 -5.397 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.258 -2.382 -7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.560 -5.133 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.673 -4.888 -7.686 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.219 -2.539 -8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.824 -6.280 -7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.336 -2.459 -10.561 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.938 -6.203 -9.076 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.690 -4.291 -10.607 1.00 0.00 H new ATOM 468 N SER A 34 -11.608 -2.702 -4.679 1.00 0.00 N ATOM 469 CA SER A 34 -12.847 -2.732 -3.911 1.00 0.00 C ATOM 470 C SER A 34 -13.367 -4.160 -3.777 1.00 0.00 C ATOM 471 O SER A 34 -13.522 -4.871 -4.769 1.00 0.00 O ATOM 472 CB SER A 34 -13.904 -1.852 -4.580 1.00 0.00 C ATOM 473 OG SER A 34 -13.664 -1.739 -5.971 1.00 0.00 O ATOM 0 H SER A 34 -10.818 -2.283 -4.189 1.00 0.00 H new ATOM 0 HA SER A 34 -12.640 -2.345 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.894 -2.275 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.899 -0.862 -4.125 1.00 0.00 H new ATOM 0 HG SER A 34 -13.742 -2.622 -6.389 1.00 0.00 H new ATOM 479 N ARG A 35 -13.633 -4.572 -2.543 1.00 0.00 N ATOM 480 CA ARG A 35 -14.135 -5.915 -2.276 1.00 0.00 C ATOM 481 C ARG A 35 -15.386 -5.863 -1.407 1.00 0.00 C ATOM 482 O ARG A 35 -15.785 -6.868 -0.817 1.00 0.00 O ATOM 483 CB ARG A 35 -13.057 -6.752 -1.587 1.00 0.00 C ATOM 484 CG ARG A 35 -13.003 -6.552 -0.080 1.00 0.00 C ATOM 485 CD ARG A 35 -12.274 -7.695 0.609 1.00 0.00 C ATOM 486 NE ARG A 35 -12.486 -7.689 2.054 1.00 0.00 N ATOM 487 CZ ARG A 35 -11.872 -6.854 2.886 1.00 0.00 C ATOM 488 NH1 ARG A 35 -11.010 -5.963 2.416 1.00 0.00 N ATOM 489 NH2 ARG A 35 -12.119 -6.910 4.187 1.00 0.00 N ATOM 0 H ARG A 35 -13.509 -3.995 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.395 -6.378 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.236 -7.806 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.086 -6.501 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.501 -5.611 0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.016 -6.475 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.617 -8.644 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.207 -7.623 0.399 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.142 -8.364 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.818 -5.918 1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.539 -5.322 3.055 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.781 -7.595 4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.647 -6.268 4.824 1.00 0.00 H new ATOM 503 N ALA A 36 -15.998 -4.686 -1.327 1.00 0.00 N ATOM 504 CA ALA A 36 -17.200 -4.507 -0.523 1.00 0.00 C ATOM 505 C ALA A 36 -18.155 -3.505 -1.163 1.00 0.00 C ATOM 506 O ALA A 36 -17.735 -2.467 -1.674 1.00 0.00 O ATOM 507 CB ALA A 36 -16.829 -4.061 0.883 1.00 0.00 C ATOM 0 H ALA A 36 -15.682 -3.844 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.713 -5.467 -0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.735 -3.931 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.197 -4.817 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.288 -3.116 0.834 1.00 0.00 H new ATOM 513 N TYR A 37 -19.443 -3.827 -1.124 1.00 0.00 N ATOM 514 CA TYR A 37 -20.473 -2.964 -1.689 1.00 0.00 C ATOM 515 C TYR A 37 -21.850 -3.591 -1.499 1.00 0.00 C ATOM 516 O TYR A 37 -22.758 -2.970 -0.944 1.00 0.00 O ATOM 517 CB TYR A 37 -20.208 -2.713 -3.176 1.00 0.00 C ATOM 518 CG TYR A 37 -19.977 -1.256 -3.514 1.00 0.00 C ATOM 519 CD1 TYR A 37 -21.017 -0.337 -3.458 1.00 0.00 C ATOM 520 CD2 TYR A 37 -18.719 -0.800 -3.890 1.00 0.00 C ATOM 521 CE1 TYR A 37 -20.811 0.995 -3.770 1.00 0.00 C ATOM 522 CE2 TYR A 37 -18.505 0.529 -4.203 1.00 0.00 C ATOM 523 CZ TYR A 37 -19.554 1.423 -4.141 1.00 0.00 C ATOM 524 OH TYR A 37 -19.345 2.747 -4.452 1.00 0.00 O ATOM 0 H TYR A 37 -19.800 -4.685 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 37 -20.446 -2.008 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -19.337 -3.291 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -21.055 -3.081 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -22.003 -0.668 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -17.895 -1.496 -3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -21.631 1.696 -3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.521 0.866 -4.495 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.404 2.882 -4.692 1.00 0.00 H new ATOM 534 N PRO A 38 -22.019 -4.842 -1.958 1.00 0.00 N ATOM 535 CA PRO A 38 -23.275 -5.576 -1.844 1.00 0.00 C ATOM 536 C PRO A 38 -23.428 -6.242 -0.481 1.00 0.00 C ATOM 537 O PRO A 38 -22.438 -6.511 0.202 1.00 0.00 O ATOM 538 CB PRO A 38 -23.175 -6.644 -2.946 1.00 0.00 C ATOM 539 CG PRO A 38 -21.815 -6.494 -3.562 1.00 0.00 C ATOM 540 CD PRO A 38 -20.999 -5.649 -2.623 1.00 0.00 C ATOM 0 HA PRO A 38 -24.138 -4.919 -1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -23.305 -7.643 -2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -23.957 -6.505 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -21.348 -7.468 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -21.885 -6.023 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -20.437 -6.257 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -20.277 -5.031 -3.156 1.00 0.00 H new ATOM 548 N THR A 39 -24.668 -6.511 -0.092 1.00 0.00 N ATOM 549 CA THR A 39 -24.943 -7.150 1.189 1.00 0.00 C ATOM 550 C THR A 39 -25.957 -8.283 1.029 1.00 0.00 C ATOM 551 O THR A 39 -26.803 -8.503 1.895 1.00 0.00 O ATOM 552 CB THR A 39 -25.447 -6.111 2.195 1.00 0.00 C ATOM 553 OG1 THR A 39 -26.489 -6.638 2.997 1.00 0.00 O ATOM 554 CG2 THR A 39 -25.968 -4.850 1.538 1.00 0.00 C ATOM 0 H THR A 39 -25.498 -6.297 -0.644 1.00 0.00 H new ATOM 0 HA THR A 39 -24.016 -7.583 1.566 1.00 0.00 H new ATOM 0 HB THR A 39 -24.578 -5.859 2.802 1.00 0.00 H new ATOM 0 HG1 THR A 39 -26.404 -7.613 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 39 -26.310 -4.155 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 39 -25.171 -4.386 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 39 -26.799 -5.100 0.879 1.00 0.00 H new ATOM 562 N PRO A 40 -25.879 -9.027 -0.087 1.00 0.00 N ATOM 563 CA PRO A 40 -26.788 -10.146 -0.357 1.00 0.00 C ATOM 564 C PRO A 40 -26.492 -11.354 0.526 1.00 0.00 C ATOM 565 O PRO A 40 -26.346 -12.475 0.036 1.00 0.00 O ATOM 566 CB PRO A 40 -26.512 -10.475 -1.826 1.00 0.00 C ATOM 567 CG PRO A 40 -25.105 -10.041 -2.051 1.00 0.00 C ATOM 568 CD PRO A 40 -24.893 -8.840 -1.169 1.00 0.00 C ATOM 0 HA PRO A 40 -27.828 -9.891 -0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.635 -11.540 -2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.200 -9.947 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -24.406 -10.838 -1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -24.937 -9.790 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.875 -8.802 -0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -25.063 -7.910 -1.711 1.00 0.00 H new ATOM 576 N LEU A 41 -26.400 -11.117 1.831 1.00 0.00 N ATOM 577 CA LEU A 41 -26.113 -12.182 2.785 1.00 0.00 C ATOM 578 C LEU A 41 -26.445 -11.745 4.209 1.00 0.00 C ATOM 579 O LEU A 41 -25.623 -11.877 5.116 1.00 0.00 O ATOM 580 CB LEU A 41 -24.640 -12.585 2.690 1.00 0.00 C ATOM 581 CG LEU A 41 -23.702 -11.477 2.204 1.00 0.00 C ATOM 582 CD1 LEU A 41 -23.903 -10.211 3.023 1.00 0.00 C ATOM 583 CD2 LEU A 41 -22.253 -11.935 2.276 1.00 0.00 C ATOM 0 H LEU A 41 -26.520 -10.196 2.252 1.00 0.00 H new ATOM 0 HA LEU A 41 -26.738 -13.040 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -24.305 -12.920 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -24.554 -13.437 2.016 1.00 0.00 H new ATOM 0 HG LEU A 41 -23.941 -11.255 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -23.228 -9.434 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -24.934 -9.872 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -23.691 -10.419 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -21.601 -11.135 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -22.001 -12.185 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -22.118 -12.814 1.646 1.00 0.00 H new ATOM 595 N ARG A 42 -27.652 -11.222 4.398 1.00 0.00 N ATOM 596 CA ARG A 42 -28.089 -10.762 5.711 1.00 0.00 C ATOM 597 C ARG A 42 -27.255 -9.563 6.168 1.00 0.00 C ATOM 598 O ARG A 42 -27.170 -8.557 5.462 1.00 0.00 O ATOM 599 CB ARG A 42 -27.995 -11.903 6.729 1.00 0.00 C ATOM 600 CG ARG A 42 -28.777 -11.642 8.006 1.00 0.00 C ATOM 601 CD ARG A 42 -30.143 -12.305 7.966 1.00 0.00 C ATOM 602 NE ARG A 42 -31.155 -11.512 8.661 1.00 0.00 N ATOM 603 CZ ARG A 42 -31.634 -11.811 9.866 1.00 0.00 C ATOM 604 NH1 ARG A 42 -31.180 -12.870 10.524 1.00 0.00 N ATOM 605 NH2 ARG A 42 -32.564 -11.043 10.418 1.00 0.00 N ATOM 0 H ARG A 42 -28.345 -11.106 3.658 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.129 -10.444 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -28.361 -12.821 6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -26.948 -12.069 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -28.215 -12.016 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -28.896 -10.568 8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -30.445 -12.451 6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -30.080 -13.293 8.422 1.00 0.00 H new ATOM 0 HE ARG A 42 -31.516 -10.680 8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -30.460 -13.460 10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -31.551 -13.094 11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -32.911 -10.224 9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -32.932 -11.271 11.342 1.00 0.00 H new ATOM 619 N SER A 43 -26.641 -9.668 7.344 1.00 0.00 N ATOM 620 CA SER A 43 -25.821 -8.585 7.873 1.00 0.00 C ATOM 621 C SER A 43 -26.654 -7.325 8.083 1.00 0.00 C ATOM 622 O SER A 43 -27.859 -7.400 8.319 1.00 0.00 O ATOM 623 CB SER A 43 -24.655 -8.290 6.925 1.00 0.00 C ATOM 624 OG SER A 43 -24.420 -9.381 6.051 1.00 0.00 O ATOM 0 H SER A 43 -26.696 -10.490 7.946 1.00 0.00 H new ATOM 0 HA SER A 43 -25.424 -8.900 8.838 1.00 0.00 H new ATOM 0 HB2 SER A 43 -24.873 -7.394 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 43 -23.755 -8.083 7.504 1.00 0.00 H new ATOM 0 HG SER A 43 -23.467 -9.611 6.064 1.00 0.00 H new ATOM 630 N LYS A 44 -26.006 -6.168 7.998 1.00 0.00 N ATOM 631 CA LYS A 44 -26.693 -4.895 8.178 1.00 0.00 C ATOM 632 C LYS A 44 -25.833 -3.741 7.675 1.00 0.00 C ATOM 633 O LYS A 44 -24.607 -3.840 7.633 1.00 0.00 O ATOM 634 CB LYS A 44 -27.044 -4.684 9.653 1.00 0.00 C ATOM 635 CG LYS A 44 -27.910 -3.460 9.904 1.00 0.00 C ATOM 636 CD LYS A 44 -27.801 -2.986 11.344 1.00 0.00 C ATOM 637 CE LYS A 44 -28.556 -3.906 12.291 1.00 0.00 C ATOM 638 NZ LYS A 44 -28.468 -3.443 13.705 1.00 0.00 N ATOM 0 H LYS A 44 -25.008 -6.086 7.806 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.614 -4.920 7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -27.563 -5.568 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -26.122 -4.590 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -27.610 -2.656 9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -28.949 -3.695 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.752 -2.943 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -28.196 -1.974 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -29.602 -3.957 11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.153 -4.916 12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -28.995 -4.097 14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.471 -3.419 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.876 -2.490 13.784 1.00 0.00 H new ATOM 652 N LYS A 45 -26.484 -2.648 7.288 1.00 0.00 N ATOM 653 CA LYS A 45 -25.776 -1.478 6.784 1.00 0.00 C ATOM 654 C LYS A 45 -26.679 -0.248 6.789 1.00 0.00 C ATOM 655 O LYS A 45 -27.901 -0.362 6.704 1.00 0.00 O ATOM 656 CB LYS A 45 -25.256 -1.741 5.367 1.00 0.00 C ATOM 657 CG LYS A 45 -26.201 -1.274 4.270 1.00 0.00 C ATOM 658 CD LYS A 45 -25.753 0.050 3.670 1.00 0.00 C ATOM 659 CE LYS A 45 -25.818 0.026 2.151 1.00 0.00 C ATOM 660 NZ LYS A 45 -27.150 0.462 1.646 1.00 0.00 N ATOM 0 H LYS A 45 -27.499 -2.549 7.314 1.00 0.00 H new ATOM 0 HA LYS A 45 -24.930 -1.285 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -24.296 -1.241 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -25.076 -2.810 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.252 -2.030 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.207 -1.168 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -26.384 0.854 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.733 0.268 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.044 0.677 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.606 -0.982 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -27.154 0.432 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -27.886 -0.174 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -27.341 1.433 1.965 1.00 0.00 H new ATOM 674 N THR A 46 -26.066 0.927 6.885 1.00 0.00 N ATOM 675 CA THR A 46 -26.809 2.182 6.896 1.00 0.00 C ATOM 676 C THR A 46 -25.889 3.354 6.560 1.00 0.00 C ATOM 677 O THR A 46 -24.966 3.217 5.759 1.00 0.00 O ATOM 678 CB THR A 46 -27.466 2.398 8.260 1.00 0.00 C ATOM 679 OG1 THR A 46 -28.436 3.428 8.192 1.00 0.00 O ATOM 680 CG2 THR A 46 -26.484 2.768 9.351 1.00 0.00 C ATOM 0 H THR A 46 -25.054 1.036 6.956 1.00 0.00 H new ATOM 0 HA THR A 46 -27.589 2.127 6.136 1.00 0.00 H new ATOM 0 HB THR A 46 -27.920 1.440 8.513 1.00 0.00 H new ATOM 0 HG1 THR A 46 -28.344 4.016 8.971 1.00 0.00 H new ATOM 0 HG21 THR A 46 -27.019 2.906 10.291 1.00 0.00 H new ATOM 0 HG22 THR A 46 -25.750 1.971 9.465 1.00 0.00 H new ATOM 0 HG23 THR A 46 -25.975 3.694 9.084 1.00 0.00 H new ATOM 688 N MET A 47 -26.147 4.506 7.174 1.00 0.00 N ATOM 689 CA MET A 47 -25.337 5.695 6.933 1.00 0.00 C ATOM 690 C MET A 47 -24.162 5.761 7.905 1.00 0.00 C ATOM 691 O MET A 47 -23.673 6.843 8.229 1.00 0.00 O ATOM 692 CB MET A 47 -26.194 6.956 7.062 1.00 0.00 C ATOM 693 CG MET A 47 -26.841 7.388 5.755 1.00 0.00 C ATOM 694 SD MET A 47 -27.918 8.820 5.949 1.00 0.00 S ATOM 695 CE MET A 47 -27.361 9.850 4.594 1.00 0.00 C ATOM 0 H MET A 47 -26.908 4.640 7.840 1.00 0.00 H new ATOM 0 HA MET A 47 -24.942 5.635 5.919 1.00 0.00 H new ATOM 0 HB2 MET A 47 -26.974 6.781 7.803 1.00 0.00 H new ATOM 0 HB3 MET A 47 -25.574 7.770 7.437 1.00 0.00 H new ATOM 0 HG2 MET A 47 -26.062 7.621 5.029 1.00 0.00 H new ATOM 0 HG3 MET A 47 -27.418 6.557 5.349 1.00 0.00 H new ATOM 0 HE1 MET A 47 -27.935 10.777 4.582 1.00 0.00 H new ATOM 0 HE2 MET A 47 -26.303 10.080 4.723 1.00 0.00 H new ATOM 0 HE3 MET A 47 -27.505 9.321 3.652 1.00 0.00 H new ATOM 705 N LEU A 48 -23.713 4.597 8.366 1.00 0.00 N ATOM 706 CA LEU A 48 -22.596 4.528 9.302 1.00 0.00 C ATOM 707 C LEU A 48 -22.663 5.673 10.307 1.00 0.00 C ATOM 708 O LEU A 48 -21.828 6.577 10.291 1.00 0.00 O ATOM 709 CB LEU A 48 -21.263 4.574 8.551 1.00 0.00 C ATOM 710 CG LEU A 48 -21.069 3.475 7.506 1.00 0.00 C ATOM 711 CD1 LEU A 48 -21.800 2.208 7.921 1.00 0.00 C ATOM 712 CD2 LEU A 48 -21.547 3.951 6.144 1.00 0.00 C ATOM 0 H LEU A 48 -24.104 3.691 8.107 1.00 0.00 H new ATOM 0 HA LEU A 48 -22.666 3.584 9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -21.175 5.542 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -20.452 4.511 9.277 1.00 0.00 H new ATOM 0 HG LEU A 48 -20.006 3.246 7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -21.650 1.437 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -21.409 1.859 8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -22.865 2.418 8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -21.403 3.158 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -22.605 4.207 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.976 4.830 5.845 1.00 0.00 H new ATOM 724 N VAL A 49 -23.664 5.630 11.179 1.00 0.00 N ATOM 725 CA VAL A 49 -23.841 6.666 12.188 1.00 0.00 C ATOM 726 C VAL A 49 -23.351 6.197 13.552 1.00 0.00 C ATOM 727 O VAL A 49 -23.082 5.012 13.753 1.00 0.00 O ATOM 728 CB VAL A 49 -25.316 7.096 12.312 1.00 0.00 C ATOM 729 CG1 VAL A 49 -25.423 8.612 12.372 1.00 0.00 C ATOM 730 CG2 VAL A 49 -26.139 6.541 11.158 1.00 0.00 C ATOM 0 H VAL A 49 -24.365 4.889 11.207 1.00 0.00 H new ATOM 0 HA VAL A 49 -23.248 7.520 11.861 1.00 0.00 H new ATOM 0 HB VAL A 49 -25.717 6.686 13.239 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -26.471 8.900 12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -24.872 8.982 13.237 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -25.003 9.043 11.463 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -27.177 6.857 11.266 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -25.742 6.916 10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -26.089 5.452 11.166 1.00 0.00 H new ATOM 740 N GLN A 50 -23.242 7.133 14.487 1.00 0.00 N ATOM 741 CA GLN A 50 -22.791 6.817 15.837 1.00 0.00 C ATOM 742 C GLN A 50 -21.516 5.980 15.811 1.00 0.00 C ATOM 743 O GLN A 50 -21.185 5.314 16.793 1.00 0.00 O ATOM 744 CB GLN A 50 -23.886 6.064 16.594 1.00 0.00 C ATOM 745 CG GLN A 50 -25.095 6.922 16.936 1.00 0.00 C ATOM 746 CD GLN A 50 -25.221 7.174 18.425 1.00 0.00 C ATOM 747 OE1 GLN A 50 -24.241 7.496 19.097 1.00 0.00 O ATOM 748 NE2 GLN A 50 -26.432 7.026 18.950 1.00 0.00 N ATOM 0 H GLN A 50 -23.460 8.118 14.335 1.00 0.00 H new ATOM 0 HA GLN A 50 -22.575 7.756 16.347 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -24.212 5.215 15.993 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -23.466 5.660 17.515 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -25.020 7.876 16.414 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -25.999 6.432 16.575 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -27.216 6.758 18.356 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -26.578 7.181 19.948 1.00 0.00 H new ATOM 757 N LYS A 51 -20.801 6.014 14.688 1.00 0.00 N ATOM 758 CA LYS A 51 -19.562 5.253 14.548 1.00 0.00 C ATOM 759 C LYS A 51 -19.244 4.986 13.078 1.00 0.00 C ATOM 760 O LYS A 51 -19.998 4.304 12.384 1.00 0.00 O ATOM 761 CB LYS A 51 -19.667 3.929 15.315 1.00 0.00 C ATOM 762 CG LYS A 51 -18.978 2.759 14.628 1.00 0.00 C ATOM 763 CD LYS A 51 -18.607 1.670 15.621 1.00 0.00 C ATOM 764 CE LYS A 51 -18.952 0.289 15.085 1.00 0.00 C ATOM 765 NZ LYS A 51 -20.373 -0.070 15.348 1.00 0.00 N ATOM 0 H LYS A 51 -21.058 6.559 13.865 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.750 5.846 14.968 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.235 4.060 16.307 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.720 3.685 15.456 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.636 2.346 13.863 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.080 3.111 14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.540 1.722 15.838 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.132 1.839 16.561 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.762 0.258 14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.299 -0.453 15.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.568 -1.018 14.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.548 -0.066 16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.997 0.623 14.887 1.00 0.00 H new ATOM 779 N ASN A 52 -18.119 5.523 12.615 1.00 0.00 N ATOM 780 CA ASN A 52 -17.693 5.339 11.229 1.00 0.00 C ATOM 781 C ASN A 52 -16.180 5.156 11.154 1.00 0.00 C ATOM 782 O ASN A 52 -15.420 6.085 11.425 1.00 0.00 O ATOM 783 CB ASN A 52 -18.121 6.537 10.378 1.00 0.00 C ATOM 784 CG ASN A 52 -17.526 6.501 8.982 1.00 0.00 C ATOM 785 OD1 ASN A 52 -16.631 7.438 8.697 1.00 0.00 O flip ATOM 786 ND2 ASN A 52 -17.868 5.640 8.171 1.00 0.00 N flip ATOM 0 H ASN A 52 -17.485 6.089 13.179 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.172 4.441 10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.208 6.557 10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.818 7.458 10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.560 4.938 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.459 5.628 7.237 1.00 0.00 H new ATOM 793 N VAL A 53 -15.748 3.950 10.794 1.00 0.00 N ATOM 794 CA VAL A 53 -14.323 3.650 10.697 1.00 0.00 C ATOM 795 C VAL A 53 -13.994 2.893 9.415 1.00 0.00 C ATOM 796 O VAL A 53 -12.903 2.342 9.272 1.00 0.00 O ATOM 797 CB VAL A 53 -13.841 2.823 11.903 1.00 0.00 C ATOM 798 CG1 VAL A 53 -12.855 3.624 12.740 1.00 0.00 C ATOM 799 CG2 VAL A 53 -15.022 2.368 12.747 1.00 0.00 C ATOM 0 H VAL A 53 -16.362 3.168 10.566 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.805 4.609 10.687 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.329 1.936 11.530 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.525 3.023 13.588 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.993 3.893 12.129 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.339 4.530 13.104 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.661 1.785 13.594 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.566 3.239 13.112 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.687 1.753 12.141 1.00 0.00 H new ATOM 809 N THR A 54 -14.939 2.875 8.484 1.00 0.00 N ATOM 810 CA THR A 54 -14.745 2.188 7.213 1.00 0.00 C ATOM 811 C THR A 54 -15.848 2.545 6.220 1.00 0.00 C ATOM 812 O THR A 54 -17.030 2.322 6.483 1.00 0.00 O ATOM 813 CB THR A 54 -14.702 0.674 7.424 1.00 0.00 C ATOM 814 OG1 THR A 54 -14.286 0.016 6.239 1.00 0.00 O ATOM 815 CG2 THR A 54 -16.037 0.089 7.837 1.00 0.00 C ATOM 0 H THR A 54 -15.847 3.328 8.585 1.00 0.00 H new ATOM 0 HA THR A 54 -13.792 2.516 6.799 1.00 0.00 H new ATOM 0 HB THR A 54 -13.991 0.513 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.263 -0.952 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.937 -0.988 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.358 0.542 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.778 0.292 7.064 1.00 0.00 H new ATOM 823 N SER A 55 -15.450 3.099 5.079 1.00 0.00 N ATOM 824 CA SER A 55 -16.398 3.487 4.040 1.00 0.00 C ATOM 825 C SER A 55 -15.808 3.245 2.654 1.00 0.00 C ATOM 826 O SER A 55 -14.769 2.601 2.517 1.00 0.00 O ATOM 827 CB SER A 55 -16.780 4.960 4.195 1.00 0.00 C ATOM 828 OG SER A 55 -17.080 5.270 5.545 1.00 0.00 O ATOM 0 H SER A 55 -14.475 3.290 4.850 1.00 0.00 H new ATOM 0 HA SER A 55 -17.293 2.874 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.961 5.590 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.643 5.183 3.567 1.00 0.00 H new ATOM 0 HG SER A 55 -17.427 6.185 5.601 1.00 0.00 H new ATOM 834 N GLU A 56 -16.477 3.766 1.629 1.00 0.00 N ATOM 835 CA GLU A 56 -16.012 3.603 0.255 1.00 0.00 C ATOM 836 C GLU A 56 -14.764 4.441 -0.005 1.00 0.00 C ATOM 837 O GLU A 56 -14.797 5.668 0.086 1.00 0.00 O ATOM 838 CB GLU A 56 -17.116 3.989 -0.732 1.00 0.00 C ATOM 839 CG GLU A 56 -17.637 5.403 -0.541 1.00 0.00 C ATOM 840 CD GLU A 56 -18.141 6.017 -1.832 1.00 0.00 C ATOM 841 OE1 GLU A 56 -17.572 5.704 -2.899 1.00 0.00 O ATOM 842 OE2 GLU A 56 -19.106 6.808 -1.778 1.00 0.00 O ATOM 0 H GLU A 56 -17.339 4.303 1.723 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.757 2.553 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.736 3.885 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.945 3.289 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.444 5.393 0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.842 6.027 -0.132 1.00 0.00 H new ATOM 849 N SER A 57 -13.666 3.768 -0.328 1.00 0.00 N ATOM 850 CA SER A 57 -12.403 4.445 -0.603 1.00 0.00 C ATOM 851 C SER A 57 -11.235 3.472 -0.472 1.00 0.00 C ATOM 852 O SER A 57 -11.322 2.479 0.252 1.00 0.00 O ATOM 853 CB SER A 57 -12.212 5.626 0.352 1.00 0.00 C ATOM 854 OG SER A 57 -12.501 6.855 -0.291 1.00 0.00 O ATOM 0 H SER A 57 -13.624 2.752 -0.406 1.00 0.00 H new ATOM 0 HA SER A 57 -12.431 4.821 -1.626 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.861 5.505 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.186 5.637 0.720 1.00 0.00 H new ATOM 0 HG SER A 57 -13.461 6.906 -0.482 1.00 0.00 H new ATOM 860 N THR A 58 -10.144 3.757 -1.175 1.00 0.00 N ATOM 861 CA THR A 58 -8.966 2.897 -1.129 1.00 0.00 C ATOM 862 C THR A 58 -7.689 3.696 -1.357 1.00 0.00 C ATOM 863 O THR A 58 -7.734 4.908 -1.560 1.00 0.00 O ATOM 864 CB THR A 58 -9.077 1.788 -2.176 1.00 0.00 C ATOM 865 OG1 THR A 58 -9.247 2.334 -3.471 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.229 0.841 -1.924 1.00 0.00 C ATOM 0 H THR A 58 -10.050 4.572 -1.781 1.00 0.00 H new ATOM 0 HA THR A 58 -8.918 2.451 -0.136 1.00 0.00 H new ATOM 0 HB THR A 58 -8.144 1.229 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.314 1.608 -4.126 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.251 0.079 -2.703 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.102 0.363 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.166 1.397 -1.935 1.00 0.00 H new ATOM 874 N CYS A 59 -6.557 2.994 -1.319 1.00 0.00 N ATOM 875 CA CYS A 59 -5.238 3.599 -1.516 1.00 0.00 C ATOM 876 C CYS A 59 -4.235 3.016 -0.529 1.00 0.00 C ATOM 877 O CYS A 59 -4.434 3.081 0.684 1.00 0.00 O ATOM 878 CB CYS A 59 -5.290 5.121 -1.363 1.00 0.00 C ATOM 879 SG CYS A 59 -5.725 6.009 -2.895 1.00 0.00 S ATOM 0 H CYS A 59 -6.527 1.988 -1.151 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.920 3.370 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.017 5.373 -0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.319 5.474 -1.014 1.00 0.00 H new ATOM 884 N CYS A 60 -3.163 2.436 -1.056 1.00 0.00 N ATOM 885 CA CYS A 60 -2.138 1.831 -0.216 1.00 0.00 C ATOM 886 C CYS A 60 -0.880 2.691 -0.166 1.00 0.00 C ATOM 887 O CYS A 60 0.173 2.301 -0.670 1.00 0.00 O ATOM 888 CB CYS A 60 -1.806 0.427 -0.724 1.00 0.00 C ATOM 889 SG CYS A 60 -3.104 -0.799 -0.364 1.00 0.00 S ATOM 0 H CYS A 60 -2.982 2.372 -2.058 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.530 1.760 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.644 0.467 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.870 0.097 -0.273 1.00 0.00 H new ATOM 894 N VAL A 61 -0.995 3.859 0.459 1.00 0.00 N ATOM 895 CA VAL A 61 0.137 4.769 0.588 1.00 0.00 C ATOM 896 C VAL A 61 1.036 4.337 1.742 1.00 0.00 C ATOM 897 O VAL A 61 1.083 4.991 2.782 1.00 0.00 O ATOM 898 CB VAL A 61 -0.316 6.227 0.815 1.00 0.00 C ATOM 899 CG1 VAL A 61 0.412 7.166 -0.135 1.00 0.00 C ATOM 900 CG2 VAL A 61 -1.824 6.360 0.650 1.00 0.00 C ATOM 0 H VAL A 61 -1.859 4.197 0.883 1.00 0.00 H new ATOM 0 HA VAL A 61 0.690 4.726 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.062 6.506 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.080 8.189 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.486 7.098 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.192 6.884 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.118 7.397 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.108 6.058 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.327 5.720 1.375 1.00 0.00 H new ATOM 910 N ALA A 62 1.736 3.223 1.542 1.00 0.00 N ATOM 911 CA ALA A 62 2.637 2.667 2.551 1.00 0.00 C ATOM 912 C ALA A 62 2.310 3.158 3.957 1.00 0.00 C ATOM 913 O ALA A 62 2.524 4.325 4.287 1.00 0.00 O ATOM 914 CB ALA A 62 4.085 2.989 2.215 1.00 0.00 C ATOM 0 H ALA A 62 1.696 2.681 0.679 1.00 0.00 H new ATOM 0 HA ALA A 62 2.493 1.587 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.738 2.566 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.337 2.562 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.219 4.070 2.181 1.00 0.00 H new ATOM 920 N LYS A 63 1.828 2.248 4.797 1.00 0.00 N ATOM 921 CA LYS A 63 1.513 2.579 6.175 1.00 0.00 C ATOM 922 C LYS A 63 2.720 3.247 6.801 1.00 0.00 C ATOM 923 O LYS A 63 2.603 4.181 7.595 1.00 0.00 O ATOM 924 CB LYS A 63 1.166 1.313 6.951 1.00 0.00 C ATOM 925 CG LYS A 63 0.377 1.577 8.220 1.00 0.00 C ATOM 926 CD LYS A 63 0.062 0.285 8.959 1.00 0.00 C ATOM 927 CE LYS A 63 -1.427 -0.024 8.929 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.696 -1.484 9.030 1.00 0.00 N ATOM 0 H LYS A 63 1.648 1.276 4.544 1.00 0.00 H new ATOM 0 HA LYS A 63 0.656 3.252 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.591 0.648 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.087 0.790 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.945 2.241 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.551 2.091 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.615 -0.538 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.398 0.365 9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.921 0.493 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.859 0.361 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.722 -1.650 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.247 -1.976 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.307 -1.848 9.924 1.00 0.00 H new ATOM 942 N SER A 64 3.881 2.754 6.404 1.00 0.00 N ATOM 943 CA SER A 64 5.150 3.271 6.874 1.00 0.00 C ATOM 944 C SER A 64 6.096 3.400 5.692 1.00 0.00 C ATOM 945 O SER A 64 5.735 3.053 4.568 1.00 0.00 O ATOM 946 CB SER A 64 5.745 2.352 7.940 1.00 0.00 C ATOM 947 OG SER A 64 4.753 1.923 8.855 1.00 0.00 O ATOM 0 H SER A 64 3.968 1.981 5.744 1.00 0.00 H new ATOM 0 HA SER A 64 4.998 4.250 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.203 1.486 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.536 2.876 8.476 1.00 0.00 H new ATOM 0 HG SER A 64 5.159 1.335 9.526 1.00 0.00 H new ATOM 953 N TYR A 65 7.300 3.899 5.928 1.00 0.00 N ATOM 954 CA TYR A 65 8.250 4.056 4.839 1.00 0.00 C ATOM 955 C TYR A 65 9.682 4.126 5.323 1.00 0.00 C ATOM 956 O TYR A 65 9.955 4.527 6.454 1.00 0.00 O ATOM 957 CB TYR A 65 7.955 5.332 4.058 1.00 0.00 C ATOM 958 CG TYR A 65 7.524 6.495 4.922 1.00 0.00 C ATOM 959 CD1 TYR A 65 8.437 7.155 5.735 1.00 0.00 C ATOM 960 CD2 TYR A 65 6.206 6.937 4.924 1.00 0.00 C ATOM 961 CE1 TYR A 65 8.051 8.221 6.525 1.00 0.00 C ATOM 962 CE2 TYR A 65 5.812 8.003 5.711 1.00 0.00 C ATOM 963 CZ TYR A 65 6.736 8.640 6.511 1.00 0.00 C ATOM 964 OH TYR A 65 6.346 9.701 7.298 1.00 0.00 O ATOM 0 H TYR A 65 7.637 4.196 6.844 1.00 0.00 H new ATOM 0 HA TYR A 65 8.137 3.176 4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.846 5.618 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.173 5.126 3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.467 6.829 5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.478 6.439 4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.774 8.724 7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.784 8.335 5.699 1.00 0.00 H new ATOM 0 HH TYR A 65 5.389 9.869 7.170 1.00 0.00 H new ATOM 974 N ASN A 66 10.598 3.796 4.424 1.00 0.00 N ATOM 975 CA ASN A 66 12.026 3.893 4.735 1.00 0.00 C ATOM 976 C ASN A 66 12.685 4.710 3.650 1.00 0.00 C ATOM 977 O ASN A 66 13.879 4.603 3.369 1.00 0.00 O ATOM 978 CB ASN A 66 12.680 2.517 4.863 1.00 0.00 C ATOM 979 CG ASN A 66 13.358 2.313 6.205 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.797 1.694 7.109 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.573 2.833 6.338 1.00 0.00 N ATOM 0 H ASN A 66 10.387 3.462 3.483 1.00 0.00 H new ATOM 0 HA ASN A 66 12.152 4.378 5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.923 1.745 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.414 2.393 4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.080 2.727 7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.999 3.339 5.561 1.00 0.00 H new ATOM 988 N ARG A 67 11.839 5.524 3.060 1.00 0.00 N ATOM 989 CA ARG A 67 12.192 6.430 1.976 1.00 0.00 C ATOM 990 C ARG A 67 13.673 6.380 1.646 1.00 0.00 C ATOM 991 O ARG A 67 14.532 6.665 2.481 1.00 0.00 O ATOM 992 CB ARG A 67 11.767 7.844 2.349 1.00 0.00 C ATOM 993 CG ARG A 67 11.957 8.124 3.818 1.00 0.00 C ATOM 994 CD ARG A 67 11.772 9.596 4.146 1.00 0.00 C ATOM 995 NE ARG A 67 11.118 9.788 5.437 1.00 0.00 N ATOM 996 CZ ARG A 67 11.738 9.647 6.603 1.00 0.00 C ATOM 997 NH1 ARG A 67 13.023 9.323 6.637 1.00 0.00 N ATOM 998 NH2 ARG A 67 11.077 9.833 7.736 1.00 0.00 N ATOM 0 H ARG A 67 10.856 5.580 3.325 1.00 0.00 H new ATOM 0 HA ARG A 67 11.663 6.112 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.344 8.561 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.719 7.989 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.246 7.532 4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.955 7.808 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.743 10.091 4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.179 10.070 3.364 1.00 0.00 H new ATOM 0 HE ARG A 67 10.131 10.044 5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.537 9.182 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.498 9.215 7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.089 10.085 7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.556 9.724 8.630 1.00 0.00 H new ATOM 1012 N VAL A 68 13.948 6.018 0.406 1.00 0.00 N ATOM 1013 CA VAL A 68 15.310 5.918 -0.098 1.00 0.00 C ATOM 1014 C VAL A 68 15.483 6.778 -1.337 1.00 0.00 C ATOM 1015 O VAL A 68 16.053 6.336 -2.336 1.00 0.00 O ATOM 1016 CB VAL A 68 15.681 4.457 -0.448 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.178 3.491 0.618 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.127 4.071 -1.817 1.00 0.00 C ATOM 0 H VAL A 68 13.233 5.784 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 68 15.972 6.269 0.694 1.00 0.00 H new ATOM 0 HB VAL A 68 16.768 4.390 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.453 2.472 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.627 3.743 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.093 3.566 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.400 3.040 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.041 4.166 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.544 4.731 -2.578 1.00 0.00 H new ATOM 1028 N THR A 69 14.975 8.002 -1.274 1.00 0.00 N ATOM 1029 CA THR A 69 15.057 8.913 -2.407 1.00 0.00 C ATOM 1030 C THR A 69 16.153 8.487 -3.359 1.00 0.00 C ATOM 1031 O THR A 69 17.324 8.408 -2.988 1.00 0.00 O ATOM 1032 CB THR A 69 15.303 10.353 -1.980 1.00 0.00 C ATOM 1033 OG1 THR A 69 14.258 10.821 -1.145 1.00 0.00 O ATOM 1034 CG2 THR A 69 15.405 11.281 -3.172 1.00 0.00 C ATOM 0 H THR A 69 14.504 8.385 -0.454 1.00 0.00 H new ATOM 0 HA THR A 69 14.090 8.868 -2.908 1.00 0.00 H new ATOM 0 HB THR A 69 16.248 10.356 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.439 11.748 -0.882 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.581 12.300 -2.826 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.232 10.966 -3.808 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.476 11.246 -3.741 1.00 0.00 H new ATOM 1042 N VAL A 70 15.763 8.198 -4.581 1.00 0.00 N ATOM 1043 CA VAL A 70 16.709 7.760 -5.585 1.00 0.00 C ATOM 1044 C VAL A 70 16.692 8.650 -6.805 1.00 0.00 C ATOM 1045 O VAL A 70 16.180 9.770 -6.777 1.00 0.00 O ATOM 1046 CB VAL A 70 16.425 6.324 -6.043 1.00 0.00 C ATOM 1047 CG1 VAL A 70 17.637 5.436 -5.806 1.00 0.00 C ATOM 1048 CG2 VAL A 70 15.199 5.768 -5.334 1.00 0.00 C ATOM 0 H VAL A 70 14.797 8.258 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 70 17.688 7.811 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 70 16.220 6.339 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.415 4.422 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 70 18.487 5.823 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 70 17.878 5.426 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.014 4.749 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.370 5.768 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.333 6.389 -5.563 1.00 0.00 H new ATOM 1058 N MET A 71 17.272 8.129 -7.869 1.00 0.00 N ATOM 1059 CA MET A 71 17.358 8.844 -9.128 1.00 0.00 C ATOM 1060 C MET A 71 16.203 9.819 -9.290 1.00 0.00 C ATOM 1061 O MET A 71 15.061 9.505 -8.955 1.00 0.00 O ATOM 1062 CB MET A 71 17.379 7.870 -10.300 1.00 0.00 C ATOM 1063 CG MET A 71 16.960 6.462 -9.921 1.00 0.00 C ATOM 1064 SD MET A 71 18.358 5.427 -9.445 1.00 0.00 S ATOM 1065 CE MET A 71 18.761 4.651 -11.007 1.00 0.00 C ATOM 0 H MET A 71 17.696 7.201 -7.886 1.00 0.00 H new ATOM 0 HA MET A 71 18.289 9.411 -9.119 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.716 8.240 -11.082 1.00 0.00 H new ATOM 0 HB3 MET A 71 18.384 7.841 -10.721 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.249 6.508 -9.096 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.442 6.002 -10.763 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.387 3.627 -11.012 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.299 5.210 -11.821 1.00 0.00 H new ATOM 0 HE3 MET A 71 19.843 4.643 -11.141 1.00 0.00 H new ATOM 1075 N GLY A 72 16.507 11.005 -9.801 1.00 0.00 N ATOM 1076 CA GLY A 72 15.480 12.009 -9.991 1.00 0.00 C ATOM 1077 C GLY A 72 14.760 12.336 -8.699 1.00 0.00 C ATOM 1078 O GLY A 72 13.719 12.993 -8.709 1.00 0.00 O ATOM 0 H GLY A 72 17.444 11.289 -10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.930 12.916 -10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.759 11.655 -10.728 1.00 0.00 H new ATOM 1082 N GLY A 73 15.313 11.870 -7.581 1.00 0.00 N ATOM 1083 CA GLY A 73 14.701 12.122 -6.290 1.00 0.00 C ATOM 1084 C GLY A 73 13.472 11.266 -6.064 1.00 0.00 C ATOM 1085 O GLY A 73 12.474 11.733 -5.516 1.00 0.00 O ATOM 0 H GLY A 73 16.173 11.323 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.427 11.928 -5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.427 13.175 -6.219 1.00 0.00 H new ATOM 1089 N PHE A 74 13.540 10.011 -6.497 1.00 0.00 N ATOM 1090 CA PHE A 74 12.421 9.091 -6.346 1.00 0.00 C ATOM 1091 C PHE A 74 12.268 8.643 -4.901 1.00 0.00 C ATOM 1092 O PHE A 74 13.134 7.963 -4.355 1.00 0.00 O ATOM 1093 CB PHE A 74 12.605 7.874 -7.250 1.00 0.00 C ATOM 1094 CG PHE A 74 12.357 8.158 -8.704 1.00 0.00 C ATOM 1095 CD1 PHE A 74 11.279 8.937 -9.095 1.00 0.00 C ATOM 1096 CD2 PHE A 74 13.201 7.649 -9.678 1.00 0.00 C ATOM 1097 CE1 PHE A 74 11.048 9.201 -10.432 1.00 0.00 C ATOM 1098 CE2 PHE A 74 12.974 7.910 -11.015 1.00 0.00 C ATOM 1099 CZ PHE A 74 11.897 8.687 -11.393 1.00 0.00 C ATOM 0 H PHE A 74 14.358 9.609 -6.955 1.00 0.00 H new ATOM 0 HA PHE A 74 11.514 9.620 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.620 7.494 -7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.929 7.084 -6.923 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.613 9.342 -8.347 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.046 7.041 -9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.205 9.809 -10.725 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.639 7.507 -11.765 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.719 8.893 -12.438 1.00 0.00 H new ATOM 1109 N LYS A 75 11.156 9.033 -4.290 1.00 0.00 N ATOM 1110 CA LYS A 75 10.880 8.682 -2.904 1.00 0.00 C ATOM 1111 C LYS A 75 10.005 7.435 -2.800 1.00 0.00 C ATOM 1112 O LYS A 75 8.777 7.520 -2.858 1.00 0.00 O ATOM 1113 CB LYS A 75 10.198 9.855 -2.196 1.00 0.00 C ATOM 1114 CG LYS A 75 11.016 11.137 -2.213 1.00 0.00 C ATOM 1115 CD LYS A 75 10.885 11.899 -0.905 1.00 0.00 C ATOM 1116 CE LYS A 75 9.832 12.992 -1.000 1.00 0.00 C ATOM 1117 NZ LYS A 75 10.428 14.307 -1.366 1.00 0.00 N ATOM 0 H LYS A 75 10.429 9.594 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 75 11.832 8.463 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.234 10.043 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.997 9.576 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.064 10.899 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.687 11.769 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.622 11.207 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.846 12.340 -0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.085 12.713 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.314 13.081 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.678 15.025 -1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.123 14.586 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.900 14.229 -2.289 1.00 0.00 H new ATOM 1131 N VAL A 76 10.644 6.281 -2.618 1.00 0.00 N ATOM 1132 CA VAL A 76 9.923 5.018 -2.471 1.00 0.00 C ATOM 1133 C VAL A 76 9.490 4.853 -1.055 1.00 0.00 C ATOM 1134 O VAL A 76 9.076 3.771 -0.637 1.00 0.00 O ATOM 1135 CB VAL A 76 10.817 3.808 -2.809 1.00 0.00 C ATOM 1136 CG1 VAL A 76 11.184 3.820 -4.283 1.00 0.00 C ATOM 1137 CG2 VAL A 76 12.063 3.897 -1.937 1.00 0.00 C ATOM 0 H VAL A 76 11.659 6.194 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 76 9.075 5.052 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 76 10.291 2.874 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.815 2.960 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.276 3.771 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.724 4.738 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.719 3.053 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.589 4.828 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.774 3.874 -0.886 1.00 0.00 H new ATOM 1147 N GLU A 77 9.635 5.925 -0.317 1.00 0.00 N ATOM 1148 CA GLU A 77 9.316 5.904 1.096 1.00 0.00 C ATOM 1149 C GLU A 77 9.531 4.485 1.561 1.00 0.00 C ATOM 1150 O GLU A 77 8.723 3.917 2.292 1.00 0.00 O ATOM 1151 CB GLU A 77 7.875 6.351 1.338 1.00 0.00 C ATOM 1152 CG GLU A 77 7.758 7.507 2.316 1.00 0.00 C ATOM 1153 CD GLU A 77 7.901 8.856 1.642 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.295 9.050 0.568 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.623 9.719 2.187 1.00 0.00 O ATOM 0 H GLU A 77 9.971 6.823 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 77 9.950 6.596 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.428 6.642 0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.299 5.506 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.792 7.457 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.523 7.406 3.085 1.00 0.00 H new ATOM 1162 N ASN A 78 10.617 3.901 1.039 1.00 0.00 N ATOM 1163 CA ASN A 78 10.946 2.511 1.288 1.00 0.00 C ATOM 1164 C ASN A 78 9.776 1.892 1.992 1.00 0.00 C ATOM 1165 O ASN A 78 9.851 1.519 3.158 1.00 0.00 O ATOM 1166 CB ASN A 78 12.181 2.348 2.143 1.00 0.00 C ATOM 1167 CG ASN A 78 12.374 0.902 2.528 1.00 0.00 C ATOM 1168 OD1 ASN A 78 11.606 0.340 3.303 1.00 0.00 O ATOM 1169 ND2 ASN A 78 13.399 0.299 1.982 1.00 0.00 N ATOM 0 H ASN A 78 11.283 4.385 0.436 1.00 0.00 H new ATOM 0 HA ASN A 78 11.156 2.027 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.056 2.705 1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.092 2.960 3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.010 0.808 1.343 1.00 0.00 H new ATOM 1174 N HIS A 79 8.668 1.867 1.298 1.00 0.00 N ATOM 1175 CA HIS A 79 7.446 1.380 1.884 1.00 0.00 C ATOM 1176 C HIS A 79 7.692 0.200 2.793 1.00 0.00 C ATOM 1177 O HIS A 79 7.868 -0.931 2.367 1.00 0.00 O ATOM 1178 CB HIS A 79 6.401 1.105 0.813 1.00 0.00 C ATOM 1179 CG HIS A 79 6.048 2.369 0.115 1.00 0.00 C ATOM 1180 ND1 HIS A 79 5.028 2.522 -0.793 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.636 3.576 0.230 1.00 0.00 C ATOM 1182 CE1 HIS A 79 5.031 3.797 -1.200 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.990 4.484 -0.606 1.00 0.00 N ATOM 0 H HIS A 79 8.586 2.177 0.330 1.00 0.00 H new ATOM 0 HA HIS A 79 7.038 2.164 2.523 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.784 0.378 0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.511 0.668 1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.476 3.804 0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.340 4.210 -1.920 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.211 5.472 -0.733 1.00 0.00 H new ATOM 1191 N THR A 80 7.724 0.512 4.070 1.00 0.00 N ATOM 1192 CA THR A 80 7.973 -0.480 5.102 1.00 0.00 C ATOM 1193 C THR A 80 6.665 -1.006 5.696 1.00 0.00 C ATOM 1194 O THR A 80 6.671 -1.865 6.579 1.00 0.00 O ATOM 1195 CB THR A 80 8.871 0.136 6.174 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.128 0.991 7.026 1.00 0.00 O ATOM 1197 CG2 THR A 80 10.006 0.948 5.575 1.00 0.00 C ATOM 0 H THR A 80 7.579 1.457 4.425 1.00 0.00 H new ATOM 0 HA THR A 80 8.481 -1.339 4.663 1.00 0.00 H new ATOM 0 HB THR A 80 9.286 -0.700 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.722 1.373 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.617 1.366 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.622 0.304 4.947 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.595 1.758 4.972 1.00 0.00 H new ATOM 1205 N ALA A 81 5.547 -0.493 5.187 1.00 0.00 N ATOM 1206 CA ALA A 81 4.226 -0.904 5.630 1.00 0.00 C ATOM 1207 C ALA A 81 3.189 -0.364 4.656 1.00 0.00 C ATOM 1208 O ALA A 81 3.381 0.704 4.080 1.00 0.00 O ATOM 1209 CB ALA A 81 3.962 -0.410 7.044 1.00 0.00 C ATOM 0 H ALA A 81 5.536 0.219 4.456 1.00 0.00 H new ATOM 0 HA ALA A 81 4.165 -1.992 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.968 -0.727 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.708 -0.827 7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.020 0.678 7.066 1.00 0.00 H new ATOM 1215 N CYS A 82 2.105 -1.104 4.450 1.00 0.00 N ATOM 1216 CA CYS A 82 1.067 -0.675 3.516 1.00 0.00 C ATOM 1217 C CYS A 82 -0.282 -0.517 4.215 1.00 0.00 C ATOM 1218 O CYS A 82 -0.445 -0.914 5.370 1.00 0.00 O ATOM 1219 CB CYS A 82 0.944 -1.677 2.366 1.00 0.00 C ATOM 1220 SG CYS A 82 2.392 -1.727 1.267 1.00 0.00 S ATOM 0 H CYS A 82 1.922 -1.995 4.911 1.00 0.00 H new ATOM 0 HA CYS A 82 1.358 0.297 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.782 -2.672 2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.062 -1.430 1.776 1.00 0.00 H new ATOM 1225 N HIS A 83 -1.246 0.062 3.503 1.00 0.00 N ATOM 1226 CA HIS A 83 -2.585 0.270 4.046 1.00 0.00 C ATOM 1227 C HIS A 83 -3.520 0.844 2.986 1.00 0.00 C ATOM 1228 O HIS A 83 -3.398 2.006 2.596 1.00 0.00 O ATOM 1229 CB HIS A 83 -2.534 1.202 5.255 1.00 0.00 C ATOM 1230 CG HIS A 83 -1.963 2.553 4.951 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.306 3.691 5.650 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -1.068 2.947 4.013 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -1.647 4.725 5.156 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -0.888 4.300 4.163 1.00 0.00 N ATOM 0 H HIS A 83 -1.124 0.396 2.547 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.973 -0.699 4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.542 1.324 5.651 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.938 0.734 6.039 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.586 2.314 3.283 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.718 5.744 5.505 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.269 4.882 3.599 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.454 0.017 2.529 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.422 0.424 1.511 1.00 0.00 C ATOM 1245 C CYS A 84 -6.588 1.182 2.140 1.00 0.00 C ATOM 1246 O CYS A 84 -7.368 0.611 2.902 1.00 0.00 O ATOM 1247 CB CYS A 84 -5.952 -0.806 0.770 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.528 -0.471 -0.927 1.00 0.00 S ATOM 0 H CYS A 84 -4.563 -0.946 2.848 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.916 1.084 0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.165 -1.559 0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.775 -1.234 1.343 1.00 0.00 H new ATOM 1253 N SER A 85 -6.709 2.465 1.814 1.00 0.00 N ATOM 1254 CA SER A 85 -7.791 3.284 2.350 1.00 0.00 C ATOM 1255 C SER A 85 -7.472 4.771 2.236 1.00 0.00 C ATOM 1256 O SER A 85 -6.408 5.156 1.750 1.00 0.00 O ATOM 1257 CB SER A 85 -8.058 2.919 3.812 1.00 0.00 C ATOM 1258 OG SER A 85 -8.163 4.078 4.618 1.00 0.00 O ATOM 0 H SER A 85 -6.075 2.958 1.185 1.00 0.00 H new ATOM 0 HA SER A 85 -8.685 3.082 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.978 2.339 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.253 2.286 4.184 1.00 0.00 H new ATOM 0 HG SER A 85 -8.335 3.816 5.547 1.00 0.00 H new ATOM 1264 N THR A 86 -8.407 5.600 2.690 1.00 0.00 N ATOM 1265 CA THR A 86 -8.241 7.049 2.649 1.00 0.00 C ATOM 1266 C THR A 86 -7.573 7.495 1.348 1.00 0.00 C ATOM 1267 O THR A 86 -7.789 6.900 0.293 1.00 0.00 O ATOM 1268 CB THR A 86 -7.425 7.521 3.853 1.00 0.00 C ATOM 1269 OG1 THR A 86 -7.481 6.567 4.899 1.00 0.00 O ATOM 1270 CG2 THR A 86 -7.901 8.843 4.414 1.00 0.00 C ATOM 0 H THR A 86 -9.292 5.291 3.092 1.00 0.00 H new ATOM 0 HA THR A 86 -9.231 7.503 2.690 1.00 0.00 H new ATOM 0 HB THR A 86 -6.407 7.645 3.484 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.673 5.682 4.525 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.281 9.121 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.828 9.612 3.645 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.938 8.749 4.736 1.00 0.00 H new ATOM 1278 N CYS A 87 -6.768 8.551 1.433 1.00 0.00 N ATOM 1279 CA CYS A 87 -6.073 9.083 0.265 1.00 0.00 C ATOM 1280 C CYS A 87 -7.026 9.902 -0.600 1.00 0.00 C ATOM 1281 O CYS A 87 -8.163 9.496 -0.844 1.00 0.00 O ATOM 1282 CB CYS A 87 -5.453 7.942 -0.551 1.00 0.00 C ATOM 1283 SG CYS A 87 -5.887 7.951 -2.324 1.00 0.00 S ATOM 0 H CYS A 87 -6.581 9.055 2.300 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.273 9.739 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.368 7.993 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -5.767 6.992 -0.119 1.00 0.00 H new ATOM 1288 N TYR A 88 -6.557 11.058 -1.058 1.00 0.00 N ATOM 1289 CA TYR A 88 -7.370 11.935 -1.892 1.00 0.00 C ATOM 1290 C TYR A 88 -8.743 12.153 -1.259 1.00 0.00 C ATOM 1291 O TYR A 88 -8.858 12.277 -0.040 1.00 0.00 O ATOM 1292 CB TYR A 88 -7.520 11.346 -3.298 1.00 0.00 C ATOM 1293 CG TYR A 88 -7.628 12.391 -4.387 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -7.755 13.740 -4.075 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -7.604 12.028 -5.728 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -7.854 14.696 -5.068 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -7.703 12.979 -6.728 1.00 0.00 C ATOM 1298 CZ TYR A 88 -7.827 14.311 -6.392 1.00 0.00 C ATOM 1299 OH TYR A 88 -7.925 15.262 -7.382 1.00 0.00 O ATOM 0 H TYR A 88 -5.619 11.409 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.868 12.899 -1.970 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.664 10.704 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.407 10.713 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.777 14.046 -3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.506 10.986 -5.994 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.952 15.740 -4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.683 12.680 -7.766 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.889 14.826 -8.259 1.00 0.00 H new ATOM 1309 N TYR A 89 -9.784 12.200 -2.088 1.00 0.00 N ATOM 1310 CA TYR A 89 -11.140 12.403 -1.588 1.00 0.00 C ATOM 1311 C TYR A 89 -12.178 11.832 -2.552 1.00 0.00 C ATOM 1312 O TYR A 89 -12.723 10.753 -2.321 1.00 0.00 O ATOM 1313 CB TYR A 89 -11.405 13.891 -1.353 1.00 0.00 C ATOM 1314 CG TYR A 89 -12.469 14.155 -0.310 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -13.159 13.107 0.286 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -12.782 15.452 0.077 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -14.132 13.344 1.239 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -13.752 15.697 1.031 1.00 0.00 C ATOM 1319 CZ TYR A 89 -14.424 14.640 1.607 1.00 0.00 C ATOM 1320 OH TYR A 89 -15.391 14.879 2.558 1.00 0.00 O ATOM 0 H TYR A 89 -9.715 12.101 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.228 11.872 -0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.477 14.373 -1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.707 14.352 -2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.932 12.091 0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -12.259 16.282 -0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -14.660 12.518 1.693 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -13.982 16.711 1.323 1.00 0.00 H new ATOM 0 HH TYR A 89 -15.475 15.844 2.704 1.00 0.00 H new ATOM 1330 N HIS A 90 -12.450 12.560 -3.631 1.00 0.00 N ATOM 1331 CA HIS A 90 -13.424 12.116 -4.622 1.00 0.00 C ATOM 1332 C HIS A 90 -14.802 11.928 -3.988 1.00 0.00 C ATOM 1333 O HIS A 90 -15.063 10.915 -3.339 1.00 0.00 O ATOM 1334 CB HIS A 90 -12.954 10.809 -5.266 1.00 0.00 C ATOM 1335 CG HIS A 90 -13.964 10.190 -6.181 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -14.122 8.908 -6.584 1.00 0.00 N flip ATOM 1337 CD2 HIS A 90 -14.962 10.912 -6.799 1.00 0.00 C flip ATOM 1338 CE1 HIS A 90 -15.203 8.880 -7.429 1.00 0.00 C flip ATOM 1339 NE2 HIS A 90 -15.693 10.100 -7.542 1.00 0.00 N flip ATOM 0 H HIS A 90 -12.011 13.457 -3.841 1.00 0.00 H new ATOM 0 HA HIS A 90 -13.508 12.884 -5.391 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.038 10.999 -5.826 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.705 10.096 -4.480 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -13.546 8.112 -6.311 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -15.122 11.975 -6.693 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.590 8.001 -7.922 1.00 0.00 H new ATOM 1348 N LYS A 91 -15.677 12.914 -4.178 1.00 0.00 N ATOM 1349 CA LYS A 91 -17.026 12.857 -3.621 1.00 0.00 C ATOM 1350 C LYS A 91 -18.047 12.469 -4.690 1.00 0.00 C ATOM 1351 O LYS A 91 -17.954 12.903 -5.837 1.00 0.00 O ATOM 1352 CB LYS A 91 -17.397 14.206 -2.994 1.00 0.00 C ATOM 1353 CG LYS A 91 -18.496 14.957 -3.734 1.00 0.00 C ATOM 1354 CD LYS A 91 -18.948 16.186 -2.959 1.00 0.00 C ATOM 1355 CE LYS A 91 -20.106 16.891 -3.652 1.00 0.00 C ATOM 1356 NZ LYS A 91 -21.008 15.930 -4.346 1.00 0.00 N ATOM 0 H LYS A 91 -15.476 13.760 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.042 12.090 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.715 14.040 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.506 14.833 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.134 15.258 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -19.346 14.294 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.249 15.892 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.112 16.877 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -20.677 17.459 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.715 17.607 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -21.889 16.413 -4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.538 15.568 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -21.227 15.138 -3.709 1.00 0.00 H new ATOM 1370 N SER A 92 -19.021 11.651 -4.302 1.00 0.00 N ATOM 1371 CA SER A 92 -20.059 11.207 -5.226 1.00 0.00 C ATOM 1372 C SER A 92 -20.866 10.057 -4.630 1.00 0.00 C ATOM 1373 O SER A 92 -21.950 9.754 -5.173 1.00 0.00 O ATOM 1374 CB SER A 92 -19.435 10.772 -6.553 1.00 0.00 C ATOM 1375 OG SER A 92 -18.043 10.546 -6.414 1.00 0.00 O ATOM 1376 OXT SER A 92 -20.410 9.471 -3.626 1.00 0.00 O ATOM 0 H SER A 92 -19.113 11.283 -3.355 1.00 0.00 H new ATOM 0 HA SER A 92 -20.733 12.045 -5.404 1.00 0.00 H new ATOM 0 HB2 SER A 92 -19.921 9.862 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 92 -19.608 11.539 -7.308 1.00 0.00 H new ATOM 0 HG SER A 92 -17.642 10.421 -7.299 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.651 -1.091 2.230 1.00 0.00 C HETATM 1384 C2 NAG A 178 15.108 -1.232 2.626 1.00 0.00 C HETATM 1385 C3 NAG A 178 15.418 -2.657 3.058 1.00 0.00 C HETATM 1386 C4 NAG A 178 14.433 -3.120 4.110 1.00 0.00 C HETATM 1387 C5 NAG A 178 13.009 -2.941 3.606 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.963 -3.308 4.640 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.773 0.158 1.583 1.00 0.00 C HETATM 1390 C8 NAG A 178 17.620 0.478 0.361 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.948 -0.881 1.500 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.732 -2.706 3.593 1.00 0.00 O HETATM 1393 O4 NAG A 178 14.671 -4.515 4.397 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.766 -1.573 3.250 1.00 0.00 O HETATM 1395 O6 NAG A 178 12.216 -2.666 5.882 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.870 0.852 2.593 1.00 0.00 O HETATM 0 HO6 NAG A 178 11.525 -2.920 6.528 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.937 -3.622 3.875 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.907 -1.432 0.642 1.00 0.00 H new HETATM 0 H83 NAG A 178 18.254 -0.376 0.124 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.969 0.693 -0.487 1.00 0.00 H new HETATM 0 H81 NAG A 178 18.244 1.347 0.569 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.975 -3.025 4.277 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.953 -4.389 4.782 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.923 -3.607 2.748 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.565 -2.527 5.015 1.00 0.00 H new HETATM 0 H3 NAG A 178 15.340 -3.313 2.191 1.00 0.00 H new HETATM 0 H2 NAG A 178 15.304 -0.564 3.464 1.00 0.00 H new HETATM 1410 C1 NAG A 179 14.187 -4.990 5.607 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.988 -6.487 5.518 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.456 -7.006 6.838 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.362 -6.587 7.980 1.00 0.00 C HETATM 1414 C5 NAG A 179 14.638 -5.086 7.944 1.00 0.00 C HETATM 1415 C6 NAG A 179 15.701 -4.672 8.943 1.00 0.00 C HETATM 1416 C7 NAG A 179 11.843 -7.288 4.670 1.00 0.00 C HETATM 1417 C8 NAG A 179 10.873 -7.337 3.500 1.00 0.00 C HETATM 1418 N2 NAG A 179 13.049 -6.768 4.434 1.00 0.00 N HETATM 1419 O3 NAG A 179 13.396 -8.426 6.797 1.00 0.00 O HETATM 1420 O4 NAG A 179 13.696 -6.897 9.217 1.00 0.00 O HETATM 1421 O5 NAG A 179 15.112 -4.661 6.643 1.00 0.00 O HETATM 1422 O6 NAG A 179 15.982 -3.284 8.851 1.00 0.00 O HETATM 1423 O7 NAG A 179 11.494 -7.727 5.764 1.00 0.00 O HETATM 0 HO6 NAG A 179 15.924 -3.000 7.915 1.00 0.00 H new HETATM 0 HO3 NAG A 179 12.475 -8.710 6.619 1.00 0.00 H new HETATM 0 HN2 NAG A 179 13.322 -6.562 3.473 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.690 -6.326 3.136 1.00 0.00 H new HETATM 0 H82 NAG A 179 11.300 -7.939 2.698 1.00 0.00 H new HETATM 0 H81 NAG A 179 9.932 -7.781 3.826 1.00 0.00 H new HETATM 0 H62 NAG A 179 15.367 -4.912 9.953 1.00 0.00 H new HETATM 0 H61 NAG A 179 16.613 -5.242 8.765 1.00 0.00 H new HETATM 0 H5 NAG A 179 13.684 -4.617 8.187 1.00 0.00 H new HETATM 0 H4 NAG A 179 15.310 -7.117 7.890 1.00 0.00 H new HETATM 0 H3 NAG A 179 12.462 -6.589 7.000 1.00 0.00 H new HETATM 0 H2 NAG A 179 14.935 -6.986 5.311 1.00 0.00 H new HETATM 1437 C1 BMA A 180 14.437 -7.538 10.193 1.00 0.00 C HETATM 1438 C2 BMA A 180 13.685 -7.447 11.514 1.00 0.00 C HETATM 1439 C3 BMA A 180 14.388 -8.261 12.586 1.00 0.00 C HETATM 1440 C4 BMA A 180 14.638 -9.677 12.099 1.00 0.00 C HETATM 1441 C5 BMA A 180 15.369 -9.666 10.765 1.00 0.00 C HETATM 1442 C6 BMA A 180 15.542 -11.062 10.197 1.00 0.00 C HETATM 1443 O2 BMA A 180 12.367 -7.947 11.337 1.00 0.00 O HETATM 1444 O3 BMA A 180 13.564 -8.310 13.770 1.00 0.00 O HETATM 1445 O4 BMA A 180 15.430 -10.366 13.055 1.00 0.00 O HETATM 1446 O5 BMA A 180 14.639 -8.900 9.784 1.00 0.00 O HETATM 1447 O6 BMA A 180 16.593 -11.072 9.213 1.00 0.00 O HETATM 0 HO4 BMA A 180 15.212 -11.321 13.033 1.00 0.00 H new HETATM 0 HO2 BMA A 180 12.067 -7.762 10.422 1.00 0.00 H new HETATM 0 H62 BMA A 180 15.778 -11.762 10.999 1.00 0.00 H new HETATM 0 H61 BMA A 180 14.608 -11.397 9.746 1.00 0.00 H new HETATM 0 H5 BMA A 180 16.345 -9.222 10.963 1.00 0.00 H new HETATM 0 H4 BMA A 180 13.678 -10.177 11.970 1.00 0.00 H new HETATM 0 H3 BMA A 180 15.343 -7.788 12.813 1.00 0.00 H new HETATM 0 H2 BMA A 180 13.653 -6.404 11.829 1.00 0.00 H new HETATM 1457 C1 MAN A 181 13.989 -7.500 14.831 1.00 0.00 C HETATM 1458 C2 MAN A 181 13.183 -7.859 16.071 1.00 0.00 C HETATM 1459 C3 MAN A 181 11.731 -7.447 15.911 1.00 0.00 C HETATM 1460 C4 MAN A 181 11.638 -5.980 15.539 1.00 0.00 C HETATM 1461 C5 MAN A 181 12.488 -5.688 14.311 1.00 0.00 C HETATM 1462 C6 MAN A 181 12.538 -4.207 13.987 1.00 0.00 C HETATM 1463 O2 MAN A 181 13.737 -7.164 17.201 1.00 0.00 O HETATM 1464 O3 MAN A 181 11.048 -7.662 17.138 1.00 0.00 O HETATM 1465 O4 MAN A 181 10.284 -5.657 15.259 1.00 0.00 O HETATM 1466 O5 MAN A 181 13.851 -6.116 14.512 1.00 0.00 O HETATM 1467 O6 MAN A 181 13.355 -3.954 12.854 1.00 0.00 O HETATM 0 HO6 MAN A 181 13.367 -2.992 12.668 1.00 0.00 H new HETATM 0 HO4 MAN A 181 10.157 -4.688 15.334 1.00 0.00 H new HETATM 0 HO3 MAN A 181 11.602 -8.214 17.728 1.00 0.00 H new HETATM 0 H62 MAN A 181 11.529 -3.839 13.800 1.00 0.00 H new HETATM 0 H61 MAN A 181 12.923 -3.657 14.846 1.00 0.00 H new HETATM 0 H5 MAN A 181 12.019 -6.233 13.492 1.00 0.00 H new HETATM 0 H4 MAN A 181 12.004 -5.379 16.371 1.00 0.00 H new HETATM 0 H3 MAN A 181 11.277 -8.043 15.119 1.00 0.00 H new HETATM 0 H2 MAN A 181 13.228 -8.938 16.217 1.00 0.00 H new HETATM 1478 C1 MAN A 182 17.856 -11.007 9.811 1.00 0.00 C HETATM 1479 C2 MAN A 182 18.919 -11.174 8.735 1.00 0.00 C HETATM 1480 C3 MAN A 182 18.903 -12.586 8.175 1.00 0.00 C HETATM 1481 C4 MAN A 182 19.040 -13.592 9.302 1.00 0.00 C HETATM 1482 C5 MAN A 182 17.967 -13.357 10.356 1.00 0.00 C HETATM 1483 C6 MAN A 182 18.147 -14.244 11.571 1.00 0.00 C HETATM 1484 O2 MAN A 182 20.198 -10.932 9.332 1.00 0.00 O HETATM 1485 O3 MAN A 182 19.988 -12.741 7.272 1.00 0.00 O HETATM 1486 O4 MAN A 182 18.908 -14.908 8.780 1.00 0.00 O HETATM 1487 O5 MAN A 182 17.999 -11.997 10.831 1.00 0.00 O HETATM 1488 O6 MAN A 182 17.175 -13.958 12.565 1.00 0.00 O HETATM 0 HO6 MAN A 182 16.869 -13.032 12.466 1.00 0.00 H new HETATM 0 HO4 MAN A 182 19.303 -15.550 9.407 1.00 0.00 H new HETATM 0 HO3 MAN A 182 20.739 -12.182 7.564 1.00 0.00 H new HETATM 0 H62 MAN A 182 18.071 -15.290 11.275 1.00 0.00 H new HETATM 0 H61 MAN A 182 19.146 -14.101 11.984 1.00 0.00 H new HETATM 0 H5 MAN A 182 17.021 -13.585 9.865 1.00 0.00 H new HETATM 0 H4 MAN A 182 20.020 -13.473 9.763 1.00 0.00 H new HETATM 0 H3 MAN A 182 17.960 -12.757 7.656 1.00 0.00 H new HETATM 0 H2 MAN A 182 18.721 -10.474 7.923 1.00 0.00 H new HETATM 1499 C1 NAG A 183 20.786 -9.705 9.089 1.00 0.00 C HETATM 1500 C2 NAG A 183 21.880 -9.495 10.138 1.00 0.00 C HETATM 1501 C3 NAG A 183 22.646 -8.213 9.853 1.00 0.00 C HETATM 1502 C4 NAG A 183 23.156 -8.216 8.427 1.00 0.00 C HETATM 1503 C5 NAG A 183 22.016 -8.502 7.459 1.00 0.00 C HETATM 1504 C6 NAG A 183 22.491 -8.631 6.025 1.00 0.00 C HETATM 1505 C7 NAG A 183 21.963 -9.434 12.549 1.00 0.00 C HETATM 1506 C8 NAG A 183 21.195 -9.564 13.853 1.00 0.00 C HETATM 1507 N2 NAG A 183 21.244 -9.407 11.436 1.00 0.00 N HETATM 1508 O3 NAG A 183 23.747 -8.114 10.742 1.00 0.00 O HETATM 1509 O4 NAG A 183 23.740 -6.931 8.122 1.00 0.00 O HETATM 1510 O5 NAG A 183 21.364 -9.739 7.790 1.00 0.00 O HETATM 1511 O6 NAG A 183 21.413 -8.940 5.153 1.00 0.00 O HETATM 1512 O7 NAG A 183 23.193 -9.367 12.561 1.00 0.00 O HETATM 0 HO6 NAG A 183 20.792 -9.549 5.604 1.00 0.00 H new HETATM 0 HO3 NAG A 183 23.833 -8.948 11.250 1.00 0.00 H new HETATM 0 HN2 NAG A 183 20.229 -9.323 11.494 1.00 0.00 H new HETATM 0 H83 NAG A 183 20.515 -8.719 13.960 1.00 0.00 H new HETATM 0 H82 NAG A 183 20.623 -10.492 13.847 1.00 0.00 H new HETATM 0 H81 NAG A 183 21.895 -9.574 14.688 1.00 0.00 H new HETATM 0 H62 NAG A 183 22.962 -7.700 5.710 1.00 0.00 H new HETATM 0 H61 NAG A 183 23.250 -9.410 5.959 1.00 0.00 H new HETATM 0 H5 NAG A 183 21.336 -7.655 7.548 1.00 0.00 H new HETATM 0 H4 NAG A 183 23.910 -8.996 8.322 1.00 0.00 H new HETATM 0 H3 NAG A 183 21.978 -7.363 9.993 1.00 0.00 H new HETATM 0 H2 NAG A 183 22.585 -10.326 10.113 1.00 0.00 H new HETATM 1526 C1 NAG A 184 14.113 -7.947 18.280 1.00 0.00 C HETATM 1527 C2 NAG A 184 14.556 -7.042 19.428 1.00 0.00 C HETATM 1528 C3 NAG A 184 14.876 -7.870 20.658 1.00 0.00 C HETATM 1529 C4 NAG A 184 13.701 -8.758 21.009 1.00 0.00 C HETATM 1530 C5 NAG A 184 13.274 -9.583 19.801 1.00 0.00 C HETATM 1531 C6 NAG A 184 12.020 -10.392 20.070 1.00 0.00 C HETATM 1532 C7 NAG A 184 15.702 -4.975 18.982 1.00 0.00 C HETATM 1533 C8 NAG A 184 16.961 -4.259 18.523 1.00 0.00 C HETATM 1534 N2 NAG A 184 15.735 -6.302 19.029 1.00 0.00 N HETATM 1535 O3 NAG A 184 15.150 -7.002 21.748 1.00 0.00 O HETATM 1536 O4 NAG A 184 14.086 -9.646 22.078 1.00 0.00 O HETATM 1537 O5 NAG A 184 12.987 -8.735 18.671 1.00 0.00 O HETATM 1538 O6 NAG A 184 11.639 -11.148 18.930 1.00 0.00 O HETATM 1539 O7 NAG A 184 14.705 -4.323 19.295 1.00 0.00 O HETATM 0 HO6 NAG A 184 11.823 -10.631 18.118 1.00 0.00 H new HETATM 0 HO3 NAG A 184 15.041 -7.490 22.591 1.00 0.00 H new HETATM 0 HN2 NAG A 184 16.591 -6.800 18.784 1.00 0.00 H new HETATM 0 H83 NAG A 184 17.784 -4.503 19.195 1.00 0.00 H new HETATM 0 H82 NAG A 184 17.212 -4.577 17.511 1.00 0.00 H new HETATM 0 H81 NAG A 184 16.792 -3.182 18.533 1.00 0.00 H new HETATM 0 H62 NAG A 184 12.191 -11.062 20.913 1.00 0.00 H new HETATM 0 H61 NAG A 184 11.207 -9.723 20.354 1.00 0.00 H new HETATM 0 H5 NAG A 184 14.110 -10.251 19.592 1.00 0.00 H new HETATM 0 H4 NAG A 184 12.864 -8.132 21.320 1.00 0.00 H new HETATM 0 H3 NAG A 184 15.745 -8.495 20.452 1.00 0.00 H new HETATM 0 H2 NAG A 184 13.747 -6.352 19.666 1.00 0.00 H new HETATM 1553 C1 GAL A 185 13.489 -9.406 23.305 1.00 0.00 C HETATM 1554 C2 GAL A 185 14.066 -10.347 24.355 1.00 0.00 C HETATM 1555 C3 GAL A 185 13.497 -10.025 25.724 1.00 0.00 C HETATM 1556 C4 GAL A 185 13.680 -8.552 26.043 1.00 0.00 C HETATM 1557 C5 GAL A 185 13.132 -7.686 24.916 1.00 0.00 C HETATM 1558 C6 GAL A 185 13.416 -6.214 25.132 1.00 0.00 C HETATM 1559 O2 GAL A 185 13.737 -11.686 24.017 1.00 0.00 O HETATM 1560 O3 GAL A 185 14.170 -10.800 26.704 1.00 0.00 O HETATM 1561 O4 GAL A 185 15.063 -8.279 26.207 1.00 0.00 O HETATM 1562 O5 GAL A 185 13.729 -8.038 23.653 1.00 0.00 O HETATM 1563 O6 GAL A 185 14.811 -5.965 25.207 1.00 0.00 O HETATM 0 HO6 GAL A 185 14.965 -5.007 25.345 1.00 0.00 H new HETATM 0 HO4 GAL A 185 15.336 -7.580 25.576 1.00 0.00 H new HETATM 0 HO3 GAL A 185 14.990 -10.339 26.979 1.00 0.00 H new HETATM 0 HO2 GAL A 185 13.766 -11.794 23.043 1.00 0.00 H new HETATM 0 H62 GAL A 185 12.984 -5.634 24.316 1.00 0.00 H new HETATM 0 H61 GAL A 185 12.934 -5.879 26.051 1.00 0.00 H new HETATM 0 H5 GAL A 185 12.057 -7.864 24.910 1.00 0.00 H new HETATM 0 H4 GAL A 185 13.137 -8.322 26.960 1.00 0.00 H new HETATM 0 H3 GAL A 185 12.432 -10.258 25.726 1.00 0.00 H new HETATM 0 H2 GAL A 185 15.149 -10.223 24.382 1.00 0.00 H new HETATM 1575 C1 GAL A 186 22.931 -5.816 8.297 1.00 0.00 C HETATM 1576 C2 GAL A 186 23.753 -4.554 8.074 1.00 0.00 C HETATM 1577 C3 GAL A 186 22.866 -3.322 8.128 1.00 0.00 C HETATM 1578 C4 GAL A 186 21.679 -3.478 7.193 1.00 0.00 C HETATM 1579 C5 GAL A 186 20.949 -4.784 7.469 1.00 0.00 C HETATM 1580 C6 GAL A 186 19.822 -5.039 6.489 1.00 0.00 C HETATM 1581 O2 GAL A 186 24.741 -4.460 9.090 1.00 0.00 O HETATM 1582 O3 GAL A 186 23.620 -2.183 7.737 1.00 0.00 O HETATM 1583 O4 GAL A 186 22.142 -3.479 5.851 1.00 0.00 O HETATM 1584 O5 GAL A 186 21.846 -5.903 7.367 1.00 0.00 O HETATM 1585 O6 GAL A 186 19.145 -6.252 6.787 1.00 0.00 O HETATM 0 HO6 GAL A 186 18.422 -6.391 6.140 1.00 0.00 H new HETATM 0 HO4 GAL A 186 22.327 -4.399 5.569 1.00 0.00 H new HETATM 0 HO3 GAL A 186 23.595 -2.093 6.761 1.00 0.00 H new HETATM 0 HO2 GAL A 186 24.963 -5.358 9.414 1.00 0.00 H new HETATM 0 H62 GAL A 186 19.116 -4.209 6.519 1.00 0.00 H new HETATM 0 H61 GAL A 186 20.221 -5.082 5.476 1.00 0.00 H new HETATM 0 H5 GAL A 186 20.546 -4.685 8.477 1.00 0.00 H new HETATM 0 H4 GAL A 186 20.991 -2.649 7.356 1.00 0.00 H new HETATM 0 H3 GAL A 186 22.499 -3.199 9.147 1.00 0.00 H new HETATM 0 H2 GAL A 186 24.222 -4.607 7.091 1.00 0.00 H new