USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 70 TYR OH : rot -68:sc= 0.00883 USER MOD Set 1.2: A 85 SER OG : rot 95:sc= -0.81! USER MOD Set 2.1: A 69 SER OG : rot 180:sc= -0.368! USER MOD Set 2.2: A 83 ASN : amide:sc= 0.168 X(o=-0.2,f=-0.39) USER MOD Single : A 3 THR OG1 : rot 113:sc= -1.52 USER MOD Single : A 11 SER OG : rot 180:sc= 0.227 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 110:sc= -3.22! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 37 SER OG : rot -100:sc= 1.44 USER MOD Single : A 40 MET CE :methyl 162:sc= -0.271 (180deg=-1.08) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= -2.1! (180deg=-4.57!) USER MOD Single : A 44 ASN : amide:sc= -1.3! C(o=-1.3!,f=-1.1!) USER MOD Single : A 46 MET CE :methyl -151:sc= -4.25! (180deg=-5.17!) USER MOD Single : A 52 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.1) USER MOD Single : A 64 HIS : no HE2:sc= -8.72! C(o=-8.7!,f=-8.9!) USER MOD Single : A 66 THR OG1 : rot -35:sc= 0.763 USER MOD Single : A 78 HIS : no HD1:sc= -3.75! C(o=-3.7!,f=-3.7!) USER MOD Single : A 79 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.0072) USER MOD Single : A 81 SER OG : rot 149:sc= -2.24! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -8.524 22.282 -16.853 1.00 0.00 N ATOM 2 CA THR A 3 -7.469 22.668 -15.923 1.00 0.00 C ATOM 3 C THR A 3 -6.298 21.693 -15.985 1.00 0.00 C ATOM 4 O THR A 3 -6.419 20.595 -16.528 1.00 0.00 O ATOM 5 CB THR A 3 -7.992 22.732 -14.477 1.00 0.00 C ATOM 6 OG1 THR A 3 -7.883 21.444 -13.857 1.00 0.00 O ATOM 7 CG2 THR A 3 -9.441 23.194 -14.445 1.00 0.00 C ATOM 0 HA THR A 3 -7.129 23.659 -16.223 1.00 0.00 H new ATOM 0 HB THR A 3 -7.385 23.452 -13.927 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.217 21.482 -13.139 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.788 23.231 -13.412 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.516 24.186 -14.889 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.058 22.496 -15.010 1.00 0.00 H new ATOM 15 N ASP A 4 -5.165 22.104 -15.425 1.00 0.00 N ATOM 16 CA ASP A 4 -3.971 21.266 -15.416 1.00 0.00 C ATOM 17 C ASP A 4 -2.832 21.953 -14.668 1.00 0.00 C ATOM 18 O ASP A 4 -1.816 22.317 -15.260 1.00 0.00 O ATOM 19 CB ASP A 4 -3.536 20.946 -16.847 1.00 0.00 C ATOM 20 CG ASP A 4 -2.436 19.903 -16.897 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.148 19.294 -15.846 1.00 0.00 O ATOM 22 OD2 ASP A 4 -1.864 19.695 -17.988 1.00 0.00 O ATOM 0 H ASP A 4 -5.048 23.011 -14.972 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.213 20.336 -14.901 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.396 20.591 -17.414 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.190 21.859 -17.331 1.00 0.00 H new ATOM 27 N ILE A 5 -3.010 22.125 -13.362 1.00 0.00 N ATOM 28 CA ILE A 5 -2.001 22.766 -12.531 1.00 0.00 C ATOM 29 C ILE A 5 -1.017 21.738 -11.974 1.00 0.00 C ATOM 30 O ILE A 5 -1.188 20.535 -12.171 1.00 0.00 O ATOM 31 CB ILE A 5 -2.657 23.566 -11.377 1.00 0.00 C ATOM 32 CG1 ILE A 5 -1.925 24.892 -11.177 1.00 0.00 C ATOM 33 CG2 ILE A 5 -2.686 22.766 -10.078 1.00 0.00 C ATOM 34 CD1 ILE A 5 -1.764 25.680 -12.458 1.00 0.00 C ATOM 0 H ILE A 5 -3.845 21.828 -12.857 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.449 23.464 -13.160 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.691 23.768 -11.655 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.471 25.496 -10.452 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.941 24.696 -10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.153 23.362 -9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.258 21.850 -10.227 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.667 22.514 -9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.237 26.611 -12.249 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.193 25.093 -13.177 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.747 25.905 -12.873 1.00 0.00 H new ATOM 46 N ASP A 6 0.009 22.217 -11.279 1.00 0.00 N ATOM 47 CA ASP A 6 1.010 21.331 -10.699 1.00 0.00 C ATOM 48 C ASP A 6 0.581 20.848 -9.320 1.00 0.00 C ATOM 49 O ASP A 6 0.712 21.569 -8.330 1.00 0.00 O ATOM 50 CB ASP A 6 2.363 22.031 -10.601 1.00 0.00 C ATOM 51 CG ASP A 6 3.498 21.053 -10.366 1.00 0.00 C ATOM 52 OD1 ASP A 6 3.229 19.943 -9.855 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.655 21.395 -10.689 1.00 0.00 O ATOM 0 H ASP A 6 0.169 23.209 -11.104 1.00 0.00 H new ATOM 0 HA ASP A 6 1.105 20.468 -11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.550 22.588 -11.519 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.337 22.757 -9.788 1.00 0.00 H new ATOM 58 N GLU A 7 0.080 19.622 -9.263 1.00 0.00 N ATOM 59 CA GLU A 7 -0.357 19.036 -8.005 1.00 0.00 C ATOM 60 C GLU A 7 0.839 18.490 -7.238 1.00 0.00 C ATOM 61 O GLU A 7 0.800 18.362 -6.016 1.00 0.00 O ATOM 62 CB GLU A 7 -1.365 17.914 -8.260 1.00 0.00 C ATOM 63 CG GLU A 7 -2.540 18.326 -9.138 1.00 0.00 C ATOM 64 CD GLU A 7 -2.167 18.437 -10.603 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.166 17.812 -11.011 1.00 0.00 O ATOM 66 OE2 GLU A 7 -2.877 19.151 -11.342 1.00 0.00 O ATOM 0 H GLU A 7 -0.034 19.014 -10.074 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.838 19.813 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.850 17.076 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.747 17.558 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.344 17.598 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.927 19.285 -8.793 1.00 0.00 H new ATOM 73 N CYS A 8 1.903 18.169 -7.969 1.00 0.00 N ATOM 74 CA CYS A 8 3.117 17.634 -7.363 1.00 0.00 C ATOM 75 C CYS A 8 3.848 18.714 -6.575 1.00 0.00 C ATOM 76 O CYS A 8 4.338 18.468 -5.473 1.00 0.00 O ATOM 77 CB CYS A 8 4.037 17.053 -8.441 1.00 0.00 C ATOM 78 SG CYS A 8 5.695 16.589 -7.843 1.00 0.00 S ATOM 0 H CYS A 8 1.948 18.271 -8.983 1.00 0.00 H new ATOM 0 HA CYS A 8 2.833 16.838 -6.675 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.560 16.173 -8.873 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.144 17.784 -9.243 1.00 0.00 H new ATOM 83 N ARG A 9 3.914 19.914 -7.144 1.00 0.00 N ATOM 84 CA ARG A 9 4.580 21.029 -6.486 1.00 0.00 C ATOM 85 C ARG A 9 3.956 21.290 -5.121 1.00 0.00 C ATOM 86 O ARG A 9 4.640 21.694 -4.181 1.00 0.00 O ATOM 87 CB ARG A 9 4.495 22.289 -7.351 1.00 0.00 C ATOM 88 CG ARG A 9 5.811 23.042 -7.458 1.00 0.00 C ATOM 89 CD ARG A 9 6.081 23.487 -8.884 1.00 0.00 C ATOM 90 NE ARG A 9 6.998 24.623 -8.938 1.00 0.00 N ATOM 91 CZ ARG A 9 7.237 25.323 -10.042 1.00 0.00 C ATOM 92 NH1 ARG A 9 6.632 25.004 -11.178 1.00 0.00 N ATOM 93 NH2 ARG A 9 8.084 26.344 -10.011 1.00 0.00 N ATOM 0 H ARG A 9 3.515 20.137 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 9 5.630 20.769 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.162 22.011 -8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.738 22.954 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.788 23.912 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.626 22.405 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.500 22.655 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.140 23.757 -9.364 1.00 0.00 H new ATOM 0 HE ARG A 9 7.481 24.894 -8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.981 24.219 -11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.818 25.543 -12.024 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.552 26.592 -9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.267 26.881 -10.859 1.00 0.00 H new ATOM 107 N ILE A 10 2.652 21.047 -5.017 1.00 0.00 N ATOM 108 CA ILE A 10 1.940 21.246 -3.765 1.00 0.00 C ATOM 109 C ILE A 10 2.767 20.733 -2.595 1.00 0.00 C ATOM 110 O ILE A 10 2.791 21.337 -1.522 1.00 0.00 O ATOM 111 CB ILE A 10 0.578 20.522 -3.779 1.00 0.00 C ATOM 112 CG1 ILE A 10 -0.403 21.261 -4.691 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.016 20.400 -2.369 1.00 0.00 C ATOM 114 CD1 ILE A 10 -0.942 22.539 -4.088 1.00 0.00 C ATOM 0 H ILE A 10 2.071 20.713 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 10 1.770 22.316 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 10 0.725 19.515 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.094 21.494 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.237 20.600 -4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.945 19.886 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.709 19.832 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.119 21.395 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.631 23.010 -4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.468 22.310 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.116 23.219 -3.879 1.00 0.00 H new ATOM 126 N SER A 11 3.439 19.612 -2.813 1.00 0.00 N ATOM 127 CA SER A 11 4.268 19.006 -1.783 1.00 0.00 C ATOM 128 C SER A 11 5.198 17.958 -2.387 1.00 0.00 C ATOM 129 O SER A 11 4.839 17.281 -3.350 1.00 0.00 O ATOM 130 CB SER A 11 3.385 18.366 -0.713 1.00 0.00 C ATOM 131 OG SER A 11 3.986 17.198 -0.183 1.00 0.00 O ATOM 0 H SER A 11 3.426 19.103 -3.697 1.00 0.00 H new ATOM 0 HA SER A 11 4.877 19.786 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.205 19.082 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.414 18.116 -1.141 1.00 0.00 H new ATOM 0 HG SER A 11 3.400 16.810 0.500 1.00 0.00 H new ATOM 137 N PRO A 12 6.408 17.805 -1.826 1.00 0.00 N ATOM 138 CA PRO A 12 7.386 16.837 -2.304 1.00 0.00 C ATOM 139 C PRO A 12 7.117 15.444 -1.755 1.00 0.00 C ATOM 140 O PRO A 12 7.631 14.450 -2.267 1.00 0.00 O ATOM 141 CB PRO A 12 8.722 17.367 -1.765 1.00 0.00 C ATOM 142 CG PRO A 12 8.401 18.587 -0.953 1.00 0.00 C ATOM 143 CD PRO A 12 6.922 18.553 -0.680 1.00 0.00 C ATOM 0 HA PRO A 12 7.363 16.739 -3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.219 16.614 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.400 17.613 -2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.966 18.590 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.673 19.493 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.694 18.057 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.496 19.555 -0.625 1.00 0.00 H new ATOM 151 N ASP A 13 6.302 15.381 -0.707 1.00 0.00 N ATOM 152 CA ASP A 13 5.956 14.113 -0.081 1.00 0.00 C ATOM 153 C ASP A 13 4.494 13.775 -0.335 1.00 0.00 C ATOM 154 O ASP A 13 3.913 12.927 0.343 1.00 0.00 O ATOM 155 CB ASP A 13 6.227 14.168 1.423 1.00 0.00 C ATOM 156 CG ASP A 13 6.241 15.587 1.957 1.00 0.00 C ATOM 157 OD1 ASP A 13 7.175 16.341 1.612 1.00 0.00 O ATOM 158 OD2 ASP A 13 5.319 15.944 2.718 1.00 0.00 O ATOM 0 H ASP A 13 5.869 16.196 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 13 6.577 13.333 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.464 13.593 1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.186 13.694 1.634 1.00 0.00 H new ATOM 163 N LEU A 14 3.905 14.445 -1.318 1.00 0.00 N ATOM 164 CA LEU A 14 2.507 14.218 -1.667 1.00 0.00 C ATOM 165 C LEU A 14 2.198 12.730 -1.718 1.00 0.00 C ATOM 166 O LEU A 14 1.163 12.280 -1.227 1.00 0.00 O ATOM 167 CB LEU A 14 2.193 14.853 -3.020 1.00 0.00 C ATOM 168 CG LEU A 14 0.940 15.728 -3.053 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.179 16.957 -3.911 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.250 14.940 -3.578 1.00 0.00 C ATOM 0 H LEU A 14 4.373 15.150 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 14 1.886 14.678 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.047 15.457 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.082 14.059 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 14 0.717 16.049 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.279 17.571 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.006 17.535 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.425 16.649 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.132 15.580 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.038 14.590 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.435 14.084 -2.929 1.00 0.00 H new ATOM 182 N CYS A 15 3.105 11.974 -2.323 1.00 0.00 N ATOM 183 CA CYS A 15 2.947 10.535 -2.457 1.00 0.00 C ATOM 184 C CYS A 15 3.201 9.830 -1.134 1.00 0.00 C ATOM 185 O CYS A 15 2.881 8.655 -0.976 1.00 0.00 O ATOM 186 CB CYS A 15 3.909 10.008 -3.512 1.00 0.00 C ATOM 187 SG CYS A 15 3.775 10.867 -5.106 1.00 0.00 S ATOM 0 H CYS A 15 3.965 12.340 -2.732 1.00 0.00 H new ATOM 0 HA CYS A 15 1.920 10.332 -2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.930 10.103 -3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.723 8.945 -3.664 1.00 0.00 H new ATOM 192 N GLY A 16 3.789 10.551 -0.190 1.00 0.00 N ATOM 193 CA GLY A 16 4.091 9.970 1.102 1.00 0.00 C ATOM 194 C GLY A 16 5.148 8.884 1.008 1.00 0.00 C ATOM 195 O GLY A 16 5.440 8.206 1.992 1.00 0.00 O ATOM 0 H GLY A 16 4.062 11.528 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.435 10.752 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.181 9.553 1.533 1.00 0.00 H new ATOM 199 N ARG A 17 5.722 8.720 -0.184 1.00 0.00 N ATOM 200 CA ARG A 17 6.754 7.713 -0.410 1.00 0.00 C ATOM 201 C ARG A 17 7.136 7.638 -1.886 1.00 0.00 C ATOM 202 O ARG A 17 8.269 7.299 -2.227 1.00 0.00 O ATOM 203 CB ARG A 17 6.276 6.339 0.071 1.00 0.00 C ATOM 204 CG ARG A 17 7.374 5.509 0.711 1.00 0.00 C ATOM 205 CD ARG A 17 7.567 5.879 2.172 1.00 0.00 C ATOM 206 NE ARG A 17 8.367 4.889 2.888 1.00 0.00 N ATOM 207 CZ ARG A 17 8.542 4.898 4.204 1.00 0.00 C ATOM 208 NH1 ARG A 17 7.973 5.839 4.945 1.00 0.00 N ATOM 209 NH2 ARG A 17 9.284 3.964 4.783 1.00 0.00 N ATOM 0 H ARG A 17 5.488 9.274 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 17 7.635 8.006 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.468 6.475 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.862 5.790 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.126 4.451 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.308 5.659 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.052 6.853 2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.594 5.975 2.653 1.00 0.00 H new ATOM 0 HE ARG A 17 8.816 4.150 2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.399 6.558 4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.109 5.844 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.722 3.237 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.417 3.973 5.794 1.00 0.00 H new ATOM 223 N GLY A 18 6.181 7.947 -2.758 1.00 0.00 N ATOM 224 CA GLY A 18 6.437 7.900 -4.187 1.00 0.00 C ATOM 225 C GLY A 18 6.840 9.245 -4.764 1.00 0.00 C ATOM 226 O GLY A 18 7.433 10.074 -4.075 1.00 0.00 O ATOM 0 H GLY A 18 5.235 8.229 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.227 7.175 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.543 7.545 -4.699 1.00 0.00 H new ATOM 230 N GLN A 19 6.520 9.451 -6.039 1.00 0.00 N ATOM 231 CA GLN A 19 6.854 10.693 -6.728 1.00 0.00 C ATOM 232 C GLN A 19 5.618 11.305 -7.382 1.00 0.00 C ATOM 233 O GLN A 19 5.030 10.716 -8.289 1.00 0.00 O ATOM 234 CB GLN A 19 7.925 10.423 -7.783 1.00 0.00 C ATOM 235 CG GLN A 19 9.116 9.647 -7.246 1.00 0.00 C ATOM 236 CD GLN A 19 10.411 10.428 -7.338 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.719 11.247 -6.471 1.00 0.00 O ATOM 238 NE2 GLN A 19 11.177 10.181 -8.394 1.00 0.00 N ATOM 0 H GLN A 19 6.028 8.770 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 19 7.236 11.403 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.480 9.867 -8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.272 11.373 -8.189 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.931 9.379 -6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.218 8.715 -7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.883 9.494 -9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.060 10.678 -8.511 1.00 0.00 H new ATOM 247 N CYS A 20 5.220 12.484 -6.908 1.00 0.00 N ATOM 248 CA CYS A 20 4.041 13.163 -7.439 1.00 0.00 C ATOM 249 C CYS A 20 4.164 13.416 -8.939 1.00 0.00 C ATOM 250 O CYS A 20 5.186 13.910 -9.418 1.00 0.00 O ATOM 251 CB CYS A 20 3.809 14.487 -6.708 1.00 0.00 C ATOM 252 SG CYS A 20 5.335 15.375 -6.254 1.00 0.00 S ATOM 0 H CYS A 20 5.696 12.987 -6.159 1.00 0.00 H new ATOM 0 HA CYS A 20 3.187 12.506 -7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.201 15.135 -7.339 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.234 14.292 -5.803 1.00 0.00 H new ATOM 257 N VAL A 21 3.104 13.086 -9.670 1.00 0.00 N ATOM 258 CA VAL A 21 3.067 13.285 -11.114 1.00 0.00 C ATOM 259 C VAL A 21 1.976 14.286 -11.481 1.00 0.00 C ATOM 260 O VAL A 21 1.103 14.581 -10.670 1.00 0.00 O ATOM 261 CB VAL A 21 2.816 11.959 -11.860 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.394 12.218 -13.300 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.055 11.078 -11.811 1.00 0.00 C ATOM 0 H VAL A 21 2.254 12.677 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 21 4.039 13.673 -11.417 1.00 0.00 H new ATOM 0 HB VAL A 21 2.002 11.435 -11.360 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.223 11.268 -13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.476 12.805 -13.310 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.181 12.767 -13.817 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.860 10.146 -12.342 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.889 11.597 -12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.304 10.858 -10.773 1.00 0.00 H new ATOM 273 N ASN A 22 2.032 14.808 -12.701 1.00 0.00 N ATOM 274 CA ASN A 22 1.045 15.781 -13.156 1.00 0.00 C ATOM 275 C ASN A 22 0.082 15.174 -14.171 1.00 0.00 C ATOM 276 O ASN A 22 0.458 14.306 -14.959 1.00 0.00 O ATOM 277 CB ASN A 22 1.745 16.992 -13.771 1.00 0.00 C ATOM 278 CG ASN A 22 0.862 18.221 -13.770 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.422 18.687 -14.821 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.596 18.752 -12.584 1.00 0.00 N ATOM 0 H ASN A 22 2.747 14.575 -13.390 1.00 0.00 H new ATOM 0 HA ASN A 22 0.466 16.094 -12.287 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.659 17.202 -13.216 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.040 16.759 -14.794 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.005 19.581 -12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.983 18.332 -11.739 1.00 0.00 H new ATOM 287 N THR A 23 -1.163 15.646 -14.150 1.00 0.00 N ATOM 288 CA THR A 23 -2.185 15.161 -15.070 1.00 0.00 C ATOM 289 C THR A 23 -3.260 16.219 -15.292 1.00 0.00 C ATOM 290 O THR A 23 -3.489 17.075 -14.437 1.00 0.00 O ATOM 291 CB THR A 23 -2.847 13.871 -14.552 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.898 14.194 -13.634 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.827 12.976 -13.867 1.00 0.00 C ATOM 0 H THR A 23 -1.487 16.365 -13.504 1.00 0.00 H new ATOM 0 HA THR A 23 -1.686 14.944 -16.014 1.00 0.00 H new ATOM 0 HB THR A 23 -3.262 13.335 -15.405 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.764 13.988 -14.043 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.319 12.071 -13.510 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.044 12.708 -14.576 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.386 13.507 -13.023 1.00 0.00 H new ATOM 301 N PRO A 24 -3.939 16.171 -16.448 1.00 0.00 N ATOM 302 CA PRO A 24 -4.999 17.126 -16.785 1.00 0.00 C ATOM 303 C PRO A 24 -6.081 17.176 -15.713 1.00 0.00 C ATOM 304 O PRO A 24 -6.750 16.178 -15.448 1.00 0.00 O ATOM 305 CB PRO A 24 -5.572 16.593 -18.106 1.00 0.00 C ATOM 306 CG PRO A 24 -5.045 15.202 -18.238 1.00 0.00 C ATOM 307 CD PRO A 24 -3.731 15.186 -17.513 1.00 0.00 C ATOM 0 HA PRO A 24 -4.619 18.145 -16.862 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.662 16.600 -18.092 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.260 17.212 -18.947 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.738 14.480 -17.806 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.916 14.932 -19.286 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.502 14.199 -17.112 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.904 15.465 -18.167 1.00 0.00 H new ATOM 315 N GLY A 25 -6.244 18.341 -15.094 1.00 0.00 N ATOM 316 CA GLY A 25 -7.244 18.488 -14.054 1.00 0.00 C ATOM 317 C GLY A 25 -7.143 17.391 -13.015 1.00 0.00 C ATOM 318 O GLY A 25 -8.153 16.825 -12.595 1.00 0.00 O ATOM 0 H GLY A 25 -5.703 19.183 -15.293 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.125 19.458 -13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.238 18.474 -14.501 1.00 0.00 H new ATOM 322 N ASP A 26 -5.917 17.087 -12.607 1.00 0.00 N ATOM 323 CA ASP A 26 -5.671 16.048 -11.619 1.00 0.00 C ATOM 324 C ASP A 26 -4.188 15.700 -11.569 1.00 0.00 C ATOM 325 O ASP A 26 -3.366 16.346 -12.222 1.00 0.00 O ATOM 326 CB ASP A 26 -6.487 14.801 -11.947 1.00 0.00 C ATOM 327 CG ASP A 26 -7.455 14.434 -10.839 1.00 0.00 C ATOM 328 OD1 ASP A 26 -8.412 15.202 -10.607 1.00 0.00 O ATOM 329 OD2 ASP A 26 -7.255 13.379 -10.201 1.00 0.00 O ATOM 0 H ASP A 26 -5.074 17.549 -12.948 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.976 16.424 -10.642 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.042 14.966 -12.870 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.811 13.965 -12.127 1.00 0.00 H new ATOM 334 N PHE A 27 -3.846 14.681 -10.791 1.00 0.00 N ATOM 335 CA PHE A 27 -2.458 14.266 -10.663 1.00 0.00 C ATOM 336 C PHE A 27 -2.347 12.815 -10.211 1.00 0.00 C ATOM 337 O PHE A 27 -3.319 12.219 -9.746 1.00 0.00 O ATOM 338 CB PHE A 27 -1.737 15.174 -9.670 1.00 0.00 C ATOM 339 CG PHE A 27 -2.115 14.930 -8.237 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.333 15.369 -7.743 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.249 14.265 -7.382 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.680 15.149 -6.424 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.591 14.043 -6.062 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.808 14.485 -5.582 1.00 0.00 C ATOM 0 H PHE A 27 -4.507 14.131 -10.243 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.991 14.348 -11.644 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.662 15.035 -9.781 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.952 16.213 -9.920 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.018 15.889 -8.396 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.296 13.917 -7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.632 15.496 -6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.907 13.524 -5.406 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.078 14.312 -4.551 1.00 0.00 H new ATOM 354 N GLU A 28 -1.148 12.261 -10.344 1.00 0.00 N ATOM 355 CA GLU A 28 -0.891 10.884 -9.941 1.00 0.00 C ATOM 356 C GLU A 28 0.353 10.821 -9.066 1.00 0.00 C ATOM 357 O GLU A 28 0.883 11.854 -8.658 1.00 0.00 O ATOM 358 CB GLU A 28 -0.724 9.984 -11.170 1.00 0.00 C ATOM 359 CG GLU A 28 0.031 10.639 -12.316 1.00 0.00 C ATOM 360 CD GLU A 28 -0.651 10.432 -13.654 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.835 10.036 -13.662 1.00 0.00 O ATOM 362 OE2 GLU A 28 -0.001 10.668 -14.694 1.00 0.00 O ATOM 0 H GLU A 28 -0.337 12.745 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.745 10.524 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.199 9.076 -10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.710 9.682 -11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.125 11.707 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.042 10.233 -12.360 1.00 0.00 H new ATOM 369 N CYS A 29 0.816 9.613 -8.770 1.00 0.00 N ATOM 370 CA CYS A 29 1.994 9.450 -7.931 1.00 0.00 C ATOM 371 C CYS A 29 2.825 8.244 -8.348 1.00 0.00 C ATOM 372 O CYS A 29 2.391 7.413 -9.146 1.00 0.00 O ATOM 373 CB CYS A 29 1.580 9.308 -6.469 1.00 0.00 C ATOM 374 SG CYS A 29 1.786 10.832 -5.497 1.00 0.00 S ATOM 0 H CYS A 29 0.398 8.741 -9.095 1.00 0.00 H new ATOM 0 HA CYS A 29 2.610 10.340 -8.055 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.536 8.998 -6.425 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.168 8.513 -6.010 1.00 0.00 H new ATOM 379 N LYS A 30 4.027 8.161 -7.788 1.00 0.00 N ATOM 380 CA LYS A 30 4.941 7.065 -8.075 1.00 0.00 C ATOM 381 C LYS A 30 5.426 6.433 -6.775 1.00 0.00 C ATOM 382 O LYS A 30 6.607 6.513 -6.435 1.00 0.00 O ATOM 383 CB LYS A 30 6.134 7.570 -8.888 1.00 0.00 C ATOM 384 CG LYS A 30 6.736 6.519 -9.807 1.00 0.00 C ATOM 385 CD LYS A 30 6.957 5.202 -9.082 1.00 0.00 C ATOM 386 CE LYS A 30 5.676 4.388 -9.004 1.00 0.00 C ATOM 387 NZ LYS A 30 5.902 2.961 -9.369 1.00 0.00 N ATOM 0 H LYS A 30 4.392 8.847 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 30 4.411 6.312 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.819 8.425 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.904 7.926 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.076 6.359 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.685 6.881 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.725 4.626 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.327 5.397 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.271 4.445 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.930 4.820 -9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.005 2.440 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.265 2.905 -10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.595 2.541 -8.717 1.00 0.00 H new ATOM 401 N CYS A 31 4.500 5.817 -6.048 1.00 0.00 N ATOM 402 CA CYS A 31 4.817 5.177 -4.775 1.00 0.00 C ATOM 403 C CYS A 31 6.164 4.464 -4.835 1.00 0.00 C ATOM 404 O CYS A 31 6.724 4.256 -5.911 1.00 0.00 O ATOM 405 CB CYS A 31 3.714 4.189 -4.387 1.00 0.00 C ATOM 406 SG CYS A 31 2.172 4.976 -3.814 1.00 0.00 S ATOM 0 H CYS A 31 3.519 5.747 -6.320 1.00 0.00 H new ATOM 0 HA CYS A 31 4.880 5.956 -4.015 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.489 3.558 -5.246 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.089 3.534 -3.600 1.00 0.00 H new ATOM 411 N ASP A 32 6.679 4.098 -3.667 1.00 0.00 N ATOM 412 CA ASP A 32 7.963 3.417 -3.572 1.00 0.00 C ATOM 413 C ASP A 32 7.983 2.147 -4.417 1.00 0.00 C ATOM 414 O ASP A 32 8.245 2.195 -5.619 1.00 0.00 O ATOM 415 CB ASP A 32 8.278 3.089 -2.111 1.00 0.00 C ATOM 416 CG ASP A 32 9.542 2.264 -1.964 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.537 2.574 -2.652 1.00 0.00 O ATOM 418 OD2 ASP A 32 9.538 1.310 -1.158 1.00 0.00 O ATOM 0 H ASP A 32 6.224 4.263 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 32 8.730 4.087 -3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.385 4.016 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.440 2.546 -1.674 1.00 0.00 H new ATOM 423 N GLU A 33 7.721 1.007 -3.782 1.00 0.00 N ATOM 424 CA GLU A 33 7.730 -0.272 -4.483 1.00 0.00 C ATOM 425 C GLU A 33 6.568 -1.165 -4.050 1.00 0.00 C ATOM 426 O GLU A 33 6.433 -2.292 -4.523 1.00 0.00 O ATOM 427 CB GLU A 33 9.052 -0.989 -4.222 1.00 0.00 C ATOM 428 CG GLU A 33 10.165 -0.058 -3.773 1.00 0.00 C ATOM 429 CD GLU A 33 11.531 -0.504 -4.258 1.00 0.00 C ATOM 430 OE1 GLU A 33 11.831 -1.712 -4.158 1.00 0.00 O ATOM 431 OE2 GLU A 33 12.300 0.356 -4.738 1.00 0.00 O ATOM 0 H GLU A 33 7.501 0.944 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 33 7.617 -0.070 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.898 -1.753 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.363 -1.504 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.963 0.948 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.170 -0.003 -2.684 1.00 0.00 H new ATOM 438 N GLY A 34 5.738 -0.660 -3.147 1.00 0.00 N ATOM 439 CA GLY A 34 4.610 -1.429 -2.668 1.00 0.00 C ATOM 440 C GLY A 34 3.697 -0.619 -1.776 1.00 0.00 C ATOM 441 O GLY A 34 2.968 -1.186 -0.972 1.00 0.00 O ATOM 0 H GLY A 34 5.827 0.270 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.042 -1.805 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.973 -2.298 -2.119 1.00 0.00 H new ATOM 445 N TYR A 35 3.743 0.706 -1.922 1.00 0.00 N ATOM 446 CA TYR A 35 2.920 1.605 -1.131 1.00 0.00 C ATOM 447 C TYR A 35 1.702 2.058 -1.934 1.00 0.00 C ATOM 448 O TYR A 35 1.804 2.334 -3.129 1.00 0.00 O ATOM 449 CB TYR A 35 3.743 2.814 -0.687 1.00 0.00 C ATOM 450 CG TYR A 35 4.802 2.495 0.352 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.474 1.275 0.356 1.00 0.00 C ATOM 452 CD2 TYR A 35 5.129 3.422 1.334 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.437 0.993 1.306 1.00 0.00 C ATOM 454 CE2 TYR A 35 6.091 3.146 2.287 1.00 0.00 C ATOM 455 CZ TYR A 35 6.740 1.932 2.270 1.00 0.00 C ATOM 456 OH TYR A 35 7.699 1.653 3.217 1.00 0.00 O ATOM 0 H TYR A 35 4.351 1.179 -2.591 1.00 0.00 H new ATOM 0 HA TYR A 35 2.571 1.073 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.227 3.251 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.069 3.570 -0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.238 0.537 -0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.622 4.376 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.950 0.043 1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.333 3.880 3.042 1.00 0.00 H new ATOM 0 HH TYR A 35 8.367 1.045 2.837 1.00 0.00 H new ATOM 466 N GLU A 36 0.548 2.117 -1.277 1.00 0.00 N ATOM 467 CA GLU A 36 -0.690 2.519 -1.939 1.00 0.00 C ATOM 468 C GLU A 36 -0.890 4.029 -1.866 1.00 0.00 C ATOM 469 O GLU A 36 -0.985 4.604 -0.782 1.00 0.00 O ATOM 470 CB GLU A 36 -1.883 1.785 -1.318 1.00 0.00 C ATOM 471 CG GLU A 36 -3.141 2.630 -1.160 1.00 0.00 C ATOM 472 CD GLU A 36 -4.387 1.789 -0.962 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.504 0.735 -1.622 1.00 0.00 O ATOM 474 OE2 GLU A 36 -5.246 2.185 -0.147 1.00 0.00 O ATOM 0 H GLU A 36 0.443 1.892 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.618 2.245 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.120 0.918 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.590 1.408 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.020 3.300 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.267 3.257 -2.043 1.00 0.00 H new ATOM 481 N SER A 37 -0.968 4.660 -3.032 1.00 0.00 N ATOM 482 CA SER A 37 -1.170 6.097 -3.112 1.00 0.00 C ATOM 483 C SER A 37 -2.656 6.430 -3.089 1.00 0.00 C ATOM 484 O SER A 37 -3.342 6.333 -4.108 1.00 0.00 O ATOM 485 CB SER A 37 -0.526 6.657 -4.380 1.00 0.00 C ATOM 486 OG SER A 37 -0.315 5.635 -5.339 1.00 0.00 O ATOM 0 H SER A 37 -0.894 4.195 -3.937 1.00 0.00 H new ATOM 0 HA SER A 37 -0.696 6.558 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.165 7.432 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.425 7.128 -4.131 1.00 0.00 H new ATOM 0 HG SER A 37 0.622 5.349 -5.312 1.00 0.00 H new ATOM 492 N GLY A 38 -3.149 6.812 -1.919 1.00 0.00 N ATOM 493 CA GLY A 38 -4.553 7.145 -1.776 1.00 0.00 C ATOM 494 C GLY A 38 -5.267 6.192 -0.840 1.00 0.00 C ATOM 495 O GLY A 38 -5.872 5.214 -1.278 1.00 0.00 O ATOM 0 H GLY A 38 -2.600 6.898 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.648 8.163 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.033 7.121 -2.754 1.00 0.00 H new ATOM 499 N PHE A 39 -5.191 6.477 0.454 1.00 0.00 N ATOM 500 CA PHE A 39 -5.827 5.641 1.463 1.00 0.00 C ATOM 501 C PHE A 39 -6.629 6.494 2.435 1.00 0.00 C ATOM 502 O PHE A 39 -7.778 6.188 2.751 1.00 0.00 O ATOM 503 CB PHE A 39 -4.774 4.834 2.223 1.00 0.00 C ATOM 504 CG PHE A 39 -5.325 4.086 3.403 1.00 0.00 C ATOM 505 CD1 PHE A 39 -6.397 3.221 3.252 1.00 0.00 C ATOM 506 CD2 PHE A 39 -4.771 4.248 4.662 1.00 0.00 C ATOM 507 CE1 PHE A 39 -6.906 2.531 4.336 1.00 0.00 C ATOM 508 CE2 PHE A 39 -5.276 3.561 5.751 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.344 2.702 5.587 1.00 0.00 C ATOM 0 H PHE A 39 -4.693 7.284 0.830 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.506 4.952 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.309 4.124 1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.989 5.508 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.840 3.084 2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.935 4.919 4.795 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.742 1.859 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.836 3.696 6.728 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.740 2.164 6.436 1.00 0.00 H new ATOM 519 N MET A 40 -6.014 7.577 2.890 1.00 0.00 N ATOM 520 CA MET A 40 -6.657 8.494 3.809 1.00 0.00 C ATOM 521 C MET A 40 -7.036 9.781 3.087 1.00 0.00 C ATOM 522 O MET A 40 -7.504 10.737 3.706 1.00 0.00 O ATOM 523 CB MET A 40 -5.738 8.804 4.991 1.00 0.00 C ATOM 524 CG MET A 40 -4.830 7.646 5.375 1.00 0.00 C ATOM 525 SD MET A 40 -3.380 8.179 6.305 1.00 0.00 S ATOM 526 CE MET A 40 -4.053 9.565 7.219 1.00 0.00 C ATOM 0 H MET A 40 -5.063 7.840 2.632 1.00 0.00 H new ATOM 0 HA MET A 40 -7.563 8.022 4.190 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.124 9.671 4.746 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.347 9.078 5.852 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.395 6.928 5.970 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.507 7.128 4.472 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.399 9.799 8.059 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.126 10.432 6.563 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.044 9.308 7.592 1.00 0.00 H new ATOM 536 N MET A 41 -6.829 9.795 1.770 1.00 0.00 N ATOM 537 CA MET A 41 -7.147 10.961 0.961 1.00 0.00 C ATOM 538 C MET A 41 -5.997 11.959 0.974 1.00 0.00 C ATOM 539 O MET A 41 -6.210 13.172 0.985 1.00 0.00 O ATOM 540 CB MET A 41 -8.426 11.611 1.474 1.00 0.00 C ATOM 541 CG MET A 41 -9.497 10.601 1.844 1.00 0.00 C ATOM 542 SD MET A 41 -10.923 10.664 0.743 1.00 0.00 S ATOM 543 CE MET A 41 -10.602 9.250 -0.309 1.00 0.00 C ATOM 0 H MET A 41 -6.443 9.010 1.245 1.00 0.00 H new ATOM 0 HA MET A 41 -7.301 10.641 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 41 -8.192 12.221 2.347 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.817 12.284 0.710 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.069 9.599 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.825 10.784 2.867 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.400 9.156 -1.045 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.650 9.386 -0.821 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.561 8.346 0.299 1.00 0.00 H new ATOM 553 N MET A 42 -4.775 11.435 0.973 1.00 0.00 N ATOM 554 CA MET A 42 -3.583 12.271 0.982 1.00 0.00 C ATOM 555 C MET A 42 -2.467 11.625 0.169 1.00 0.00 C ATOM 556 O MET A 42 -1.304 12.012 0.273 1.00 0.00 O ATOM 557 CB MET A 42 -3.112 12.510 2.418 1.00 0.00 C ATOM 558 CG MET A 42 -4.230 12.903 3.369 1.00 0.00 C ATOM 559 SD MET A 42 -3.710 14.128 4.585 1.00 0.00 S ATOM 560 CE MET A 42 -3.989 15.647 3.679 1.00 0.00 C ATOM 0 H MET A 42 -4.586 10.433 0.966 1.00 0.00 H new ATOM 0 HA MET A 42 -3.835 13.229 0.528 1.00 0.00 H new ATOM 0 HB2 MET A 42 -2.632 11.604 2.789 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.355 13.294 2.417 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.067 13.300 2.795 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.591 12.014 3.886 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.713 16.498 4.302 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.382 15.647 2.774 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.042 15.722 3.409 1.00 0.00 H new ATOM 570 N LYS A 43 -2.834 10.635 -0.642 1.00 0.00 N ATOM 571 CA LYS A 43 -1.870 9.929 -1.476 1.00 0.00 C ATOM 572 C LYS A 43 -0.526 9.802 -0.767 1.00 0.00 C ATOM 573 O LYS A 43 0.520 10.052 -1.355 1.00 0.00 O ATOM 574 CB LYS A 43 -1.690 10.663 -2.807 1.00 0.00 C ATOM 575 CG LYS A 43 -1.261 9.757 -3.948 1.00 0.00 C ATOM 576 CD LYS A 43 -2.339 9.654 -5.015 1.00 0.00 C ATOM 577 CE LYS A 43 -1.737 9.547 -6.407 1.00 0.00 C ATOM 578 NZ LYS A 43 -2.740 9.834 -7.470 1.00 0.00 N ATOM 0 H LYS A 43 -3.794 10.305 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.254 8.927 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.628 11.150 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.947 11.451 -2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.343 10.141 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.036 8.764 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.964 8.782 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.987 10.529 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.904 10.244 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.332 8.545 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.561 9.221 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.696 9.652 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.664 10.830 -7.759 1.00 0.00 H new ATOM 592 N ASN A 44 -0.562 9.420 0.504 1.00 0.00 N ATOM 593 CA ASN A 44 0.655 9.273 1.290 1.00 0.00 C ATOM 594 C ASN A 44 1.247 7.872 1.154 1.00 0.00 C ATOM 595 O ASN A 44 1.813 7.344 2.110 1.00 0.00 O ATOM 596 CB ASN A 44 0.373 9.584 2.764 1.00 0.00 C ATOM 597 CG ASN A 44 -0.134 8.377 3.529 1.00 0.00 C ATOM 598 OD1 ASN A 44 0.569 7.827 4.378 1.00 0.00 O ATOM 599 ND2 ASN A 44 -1.359 7.958 3.235 1.00 0.00 N ATOM 0 H ASN A 44 -1.421 9.207 1.011 1.00 0.00 H new ATOM 0 HA ASN A 44 1.387 9.983 0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.285 9.951 3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.363 10.385 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.752 7.151 3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.907 8.443 2.525 1.00 0.00 H new ATOM 606 N CYS A 45 1.117 7.290 -0.041 1.00 0.00 N ATOM 607 CA CYS A 45 1.639 5.950 -0.333 1.00 0.00 C ATOM 608 C CYS A 45 1.823 5.118 0.938 1.00 0.00 C ATOM 609 O CYS A 45 2.786 5.306 1.681 1.00 0.00 O ATOM 610 CB CYS A 45 2.968 6.058 -1.088 1.00 0.00 C ATOM 611 SG CYS A 45 2.797 6.629 -2.811 1.00 0.00 S ATOM 0 H CYS A 45 0.649 7.732 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 45 0.905 5.439 -0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.624 6.744 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.456 5.083 -1.086 1.00 0.00 H new ATOM 616 N MET A 46 0.895 4.195 1.180 1.00 0.00 N ATOM 617 CA MET A 46 0.956 3.336 2.362 1.00 0.00 C ATOM 618 C MET A 46 0.878 1.862 1.973 1.00 0.00 C ATOM 619 O MET A 46 -0.206 1.346 1.704 1.00 0.00 O ATOM 620 CB MET A 46 -0.180 3.682 3.326 1.00 0.00 C ATOM 621 CG MET A 46 -1.563 3.477 2.732 1.00 0.00 C ATOM 622 SD MET A 46 -2.601 2.403 3.742 1.00 0.00 S ATOM 623 CE MET A 46 -3.613 1.629 2.484 1.00 0.00 C ATOM 0 H MET A 46 0.092 4.022 0.575 1.00 0.00 H new ATOM 0 HA MET A 46 1.911 3.510 2.857 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.084 3.070 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.078 4.722 3.637 1.00 0.00 H new ATOM 0 HG2 MET A 46 -2.052 4.444 2.617 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.466 3.048 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.583 1.367 2.907 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.754 2.321 1.654 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.119 0.727 2.124 1.00 0.00 H new ATOM 633 N ASP A 47 2.042 1.208 1.946 1.00 0.00 N ATOM 634 CA ASP A 47 2.160 -0.208 1.588 1.00 0.00 C ATOM 635 C ASP A 47 0.877 -0.771 0.978 1.00 0.00 C ATOM 636 O ASP A 47 0.015 -1.298 1.680 1.00 0.00 O ATOM 637 CB ASP A 47 2.578 -1.037 2.792 1.00 0.00 C ATOM 638 CG ASP A 47 1.477 -1.165 3.826 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.329 -0.241 4.654 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.762 -2.189 3.809 1.00 0.00 O ATOM 0 H ASP A 47 2.934 1.648 2.173 1.00 0.00 H new ATOM 0 HA ASP A 47 2.934 -0.271 0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.874 -2.031 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.454 -0.582 3.255 1.00 0.00 H new ATOM 645 N ILE A 48 0.777 -0.661 -0.341 1.00 0.00 N ATOM 646 CA ILE A 48 -0.366 -1.155 -1.084 1.00 0.00 C ATOM 647 C ILE A 48 -0.947 -2.412 -0.449 1.00 0.00 C ATOM 648 O ILE A 48 -0.248 -3.149 0.247 1.00 0.00 O ATOM 649 CB ILE A 48 0.034 -1.448 -2.546 1.00 0.00 C ATOM 650 CG1 ILE A 48 -1.173 -1.296 -3.467 1.00 0.00 C ATOM 651 CG2 ILE A 48 0.633 -2.841 -2.673 1.00 0.00 C ATOM 652 CD1 ILE A 48 -2.079 -2.508 -3.484 1.00 0.00 C ATOM 0 H ILE A 48 1.491 -0.224 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.132 -0.380 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 48 0.792 -0.725 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.750 -0.426 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.824 -1.100 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.907 -3.026 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.521 -2.914 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.099 -3.582 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.915 -2.328 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.517 -3.377 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.458 -2.693 -2.479 1.00 0.00 H new ATOM 664 N ASP A 49 -2.224 -2.663 -0.710 1.00 0.00 N ATOM 665 CA ASP A 49 -2.888 -3.843 -0.178 1.00 0.00 C ATOM 666 C ASP A 49 -2.731 -5.004 -1.146 1.00 0.00 C ATOM 667 O ASP A 49 -3.673 -5.370 -1.849 1.00 0.00 O ATOM 668 CB ASP A 49 -4.372 -3.573 0.065 1.00 0.00 C ATOM 669 CG ASP A 49 -5.093 -4.794 0.602 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.514 -5.901 0.534 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.234 -4.645 1.087 1.00 0.00 O ATOM 0 H ASP A 49 -2.818 -2.066 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.423 -4.096 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.479 -2.749 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.840 -3.257 -0.867 1.00 0.00 H new ATOM 676 N GLU A 50 -1.533 -5.572 -1.189 1.00 0.00 N ATOM 677 CA GLU A 50 -1.254 -6.681 -2.080 1.00 0.00 C ATOM 678 C GLU A 50 -2.323 -7.761 -1.949 1.00 0.00 C ATOM 679 O GLU A 50 -2.595 -8.497 -2.897 1.00 0.00 O ATOM 680 CB GLU A 50 0.121 -7.267 -1.774 1.00 0.00 C ATOM 681 CG GLU A 50 1.245 -6.243 -1.818 1.00 0.00 C ATOM 682 CD GLU A 50 1.488 -5.582 -0.474 1.00 0.00 C ATOM 683 OE1 GLU A 50 1.171 -6.205 0.562 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.992 -4.440 -0.456 1.00 0.00 O ATOM 0 H GLU A 50 -0.741 -5.280 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.263 -6.309 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.099 -7.727 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.336 -8.060 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.162 -6.730 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.005 -5.478 -2.556 1.00 0.00 H new ATOM 691 N CYS A 51 -2.932 -7.843 -0.770 1.00 0.00 N ATOM 692 CA CYS A 51 -3.978 -8.826 -0.520 1.00 0.00 C ATOM 693 C CYS A 51 -5.241 -8.470 -1.296 1.00 0.00 C ATOM 694 O CYS A 51 -6.190 -9.251 -1.356 1.00 0.00 O ATOM 695 CB CYS A 51 -4.290 -8.893 0.976 1.00 0.00 C ATOM 696 SG CYS A 51 -3.818 -10.461 1.774 1.00 0.00 S ATOM 0 H CYS A 51 -2.719 -7.241 0.025 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.623 -9.801 -0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.776 -8.074 1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.359 -8.734 1.119 1.00 0.00 H new ATOM 701 N GLN A 52 -5.243 -7.277 -1.882 1.00 0.00 N ATOM 702 CA GLN A 52 -6.382 -6.796 -2.648 1.00 0.00 C ATOM 703 C GLN A 52 -5.975 -6.469 -4.081 1.00 0.00 C ATOM 704 O GLN A 52 -6.772 -6.596 -5.011 1.00 0.00 O ATOM 705 CB GLN A 52 -6.962 -5.553 -1.977 1.00 0.00 C ATOM 706 CG GLN A 52 -8.054 -5.864 -0.971 1.00 0.00 C ATOM 707 CD GLN A 52 -8.942 -4.668 -0.683 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.210 -4.345 0.475 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.402 -4.005 -1.737 1.00 0.00 N ATOM 0 H GLN A 52 -4.461 -6.623 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.137 -7.582 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.159 -5.012 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.363 -4.889 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.666 -6.684 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.599 -6.206 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.154 -4.309 -2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.004 -3.192 -1.605 1.00 0.00 H new ATOM 718 N ARG A 53 -4.727 -6.044 -4.248 1.00 0.00 N ATOM 719 CA ARG A 53 -4.204 -5.691 -5.563 1.00 0.00 C ATOM 720 C ARG A 53 -4.756 -6.615 -6.642 1.00 0.00 C ATOM 721 O ARG A 53 -5.119 -6.167 -7.730 1.00 0.00 O ATOM 722 CB ARG A 53 -2.675 -5.749 -5.553 1.00 0.00 C ATOM 723 CG ARG A 53 -2.048 -5.665 -6.936 1.00 0.00 C ATOM 724 CD ARG A 53 -0.731 -6.420 -6.996 1.00 0.00 C ATOM 725 NE ARG A 53 -0.097 -6.313 -8.307 1.00 0.00 N ATOM 726 CZ ARG A 53 0.398 -5.181 -8.796 1.00 0.00 C ATOM 727 NH1 ARG A 53 0.336 -4.064 -8.083 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.957 -5.163 -9.997 1.00 0.00 N ATOM 0 H ARG A 53 -4.057 -5.935 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.523 -4.674 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.294 -4.931 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.359 -6.677 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.737 -6.074 -7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.882 -4.620 -7.199 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.055 -6.031 -6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.905 -7.470 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.030 -7.154 -8.880 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.092 -4.073 -7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.717 -3.196 -8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.008 -6.019 -10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.336 -4.293 -10.370 1.00 0.00 H new ATOM 742 N ASP A 54 -4.810 -7.906 -6.339 1.00 0.00 N ATOM 743 CA ASP A 54 -5.311 -8.891 -7.288 1.00 0.00 C ATOM 744 C ASP A 54 -6.506 -9.650 -6.718 1.00 0.00 C ATOM 745 O ASP A 54 -6.657 -9.775 -5.503 1.00 0.00 O ATOM 746 CB ASP A 54 -4.203 -9.875 -7.666 1.00 0.00 C ATOM 747 CG ASP A 54 -3.530 -9.513 -8.975 1.00 0.00 C ATOM 748 OD1 ASP A 54 -4.228 -9.019 -9.885 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.304 -9.725 -9.091 1.00 0.00 O ATOM 0 H ASP A 54 -4.513 -8.295 -5.444 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.639 -8.358 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.457 -9.900 -6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.622 -10.878 -7.741 1.00 0.00 H new ATOM 754 N PRO A 55 -7.368 -10.168 -7.603 1.00 0.00 N ATOM 755 CA PRO A 55 -8.553 -10.921 -7.222 1.00 0.00 C ATOM 756 C PRO A 55 -8.278 -12.418 -7.136 1.00 0.00 C ATOM 757 O PRO A 55 -9.157 -13.204 -6.783 1.00 0.00 O ATOM 758 CB PRO A 55 -9.517 -10.612 -8.364 1.00 0.00 C ATOM 759 CG PRO A 55 -8.650 -10.349 -9.560 1.00 0.00 C ATOM 760 CD PRO A 55 -7.251 -10.064 -9.060 1.00 0.00 C ATOM 0 HA PRO A 55 -8.929 -10.650 -6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.192 -11.448 -8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.137 -9.746 -8.131 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.649 -11.210 -10.229 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.032 -9.503 -10.131 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.532 -10.782 -9.455 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.912 -9.073 -9.364 1.00 0.00 H new ATOM 768 N LEU A 56 -7.046 -12.801 -7.455 1.00 0.00 N ATOM 769 CA LEU A 56 -6.636 -14.196 -7.411 1.00 0.00 C ATOM 770 C LEU A 56 -5.385 -14.348 -6.555 1.00 0.00 C ATOM 771 O LEU A 56 -4.748 -15.402 -6.545 1.00 0.00 O ATOM 772 CB LEU A 56 -6.375 -14.719 -8.822 1.00 0.00 C ATOM 773 CG LEU A 56 -7.449 -15.660 -9.372 1.00 0.00 C ATOM 774 CD1 LEU A 56 -7.079 -17.109 -9.102 1.00 0.00 C ATOM 775 CD2 LEU A 56 -8.808 -15.333 -8.770 1.00 0.00 C ATOM 0 H LEU A 56 -6.311 -12.158 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.441 -14.782 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.279 -13.868 -9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.418 -15.241 -8.829 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.510 -15.517 -10.451 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.855 -17.763 -9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.129 -17.338 -9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.988 -17.267 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.558 -16.013 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.762 -15.445 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.078 -14.307 -9.018 1.00 0.00 H new ATOM 787 N LEU A 57 -5.036 -13.283 -5.841 1.00 0.00 N ATOM 788 CA LEU A 57 -3.862 -13.294 -4.982 1.00 0.00 C ATOM 789 C LEU A 57 -3.959 -14.401 -3.945 1.00 0.00 C ATOM 790 O LEU A 57 -4.968 -14.535 -3.253 1.00 0.00 O ATOM 791 CB LEU A 57 -3.690 -11.940 -4.297 1.00 0.00 C ATOM 792 CG LEU A 57 -2.268 -11.637 -3.829 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.759 -10.349 -4.458 1.00 0.00 C ATOM 794 CD2 LEU A 57 -2.218 -11.553 -2.312 1.00 0.00 C ATOM 0 H LEU A 57 -5.551 -12.402 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.988 -13.485 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.006 -11.157 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.358 -11.896 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.617 -12.450 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.745 -10.151 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.759 -10.449 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.408 -9.522 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.198 -11.337 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.882 -10.759 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.538 -12.503 -1.884 1.00 0.00 H new ATOM 806 N CYS A 58 -2.904 -15.201 -3.852 1.00 0.00 N ATOM 807 CA CYS A 58 -2.871 -16.306 -2.908 1.00 0.00 C ATOM 808 C CYS A 58 -4.224 -16.999 -2.860 1.00 0.00 C ATOM 809 O CYS A 58 -4.617 -17.548 -1.832 1.00 0.00 O ATOM 810 CB CYS A 58 -2.477 -15.812 -1.516 1.00 0.00 C ATOM 811 SG CYS A 58 -0.710 -16.025 -1.136 1.00 0.00 S ATOM 0 H CYS A 58 -2.062 -15.104 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.122 -17.024 -3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.733 -14.756 -1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.067 -16.346 -0.771 1.00 0.00 H new ATOM 816 N ARG A 59 -4.928 -16.967 -3.988 1.00 0.00 N ATOM 817 CA ARG A 59 -6.239 -17.592 -4.096 1.00 0.00 C ATOM 818 C ARG A 59 -6.132 -19.091 -3.840 1.00 0.00 C ATOM 819 O ARG A 59 -6.251 -19.902 -4.759 1.00 0.00 O ATOM 820 CB ARG A 59 -6.827 -17.333 -5.483 1.00 0.00 C ATOM 821 CG ARG A 59 -8.343 -17.226 -5.497 1.00 0.00 C ATOM 822 CD ARG A 59 -8.978 -18.396 -6.230 1.00 0.00 C ATOM 823 NE ARG A 59 -10.437 -18.344 -6.181 1.00 0.00 N ATOM 824 CZ ARG A 59 -11.221 -19.346 -6.565 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.689 -20.471 -7.023 1.00 0.00 N ATOM 826 NH2 ARG A 59 -12.540 -19.224 -6.491 1.00 0.00 N ATOM 0 H ARG A 59 -4.609 -16.512 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.900 -17.158 -3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.403 -16.411 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.523 -18.138 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.716 -17.191 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.638 -16.292 -5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.650 -18.394 -7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.633 -19.331 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.878 -17.493 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.675 -20.569 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.293 -21.238 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.953 -18.360 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.141 -19.994 -6.786 1.00 0.00 H new ATOM 840 N GLY A 60 -5.894 -19.447 -2.584 1.00 0.00 N ATOM 841 CA GLY A 60 -5.757 -20.841 -2.213 1.00 0.00 C ATOM 842 C GLY A 60 -4.608 -21.061 -1.248 1.00 0.00 C ATOM 843 O GLY A 60 -4.416 -22.165 -0.740 1.00 0.00 O ATOM 0 H GLY A 60 -5.793 -18.789 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.685 -21.188 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.598 -21.441 -3.109 1.00 0.00 H new ATOM 847 N GLY A 61 -3.843 -20.001 -0.996 1.00 0.00 N ATOM 848 CA GLY A 61 -2.714 -20.095 -0.089 1.00 0.00 C ATOM 849 C GLY A 61 -2.799 -19.098 1.052 1.00 0.00 C ATOM 850 O GLY A 61 -3.807 -19.034 1.756 1.00 0.00 O ATOM 0 H GLY A 61 -3.986 -19.078 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.663 -21.105 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.791 -19.928 -0.645 1.00 0.00 H new ATOM 854 N VAL A 62 -1.737 -18.319 1.237 1.00 0.00 N ATOM 855 CA VAL A 62 -1.690 -17.321 2.300 1.00 0.00 C ATOM 856 C VAL A 62 -1.016 -16.039 1.820 1.00 0.00 C ATOM 857 O VAL A 62 0.163 -16.042 1.465 1.00 0.00 O ATOM 858 CB VAL A 62 -0.938 -17.852 3.538 1.00 0.00 C ATOM 859 CG1 VAL A 62 -0.593 -16.715 4.490 1.00 0.00 C ATOM 860 CG2 VAL A 62 -1.763 -18.917 4.245 1.00 0.00 C ATOM 0 H VAL A 62 -0.895 -18.360 0.662 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.722 -17.105 2.577 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.005 -18.306 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.063 -17.113 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.041 -15.991 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.509 -16.225 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.218 -19.281 5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.713 -18.489 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.950 -19.746 3.562 1.00 0.00 H new ATOM 870 N CYS A 63 -1.770 -14.947 1.812 1.00 0.00 N ATOM 871 CA CYS A 63 -1.247 -13.659 1.377 1.00 0.00 C ATOM 872 C CYS A 63 -0.695 -12.870 2.563 1.00 0.00 C ATOM 873 O CYS A 63 -1.450 -12.275 3.333 1.00 0.00 O ATOM 874 CB CYS A 63 -2.346 -12.862 0.664 1.00 0.00 C ATOM 875 SG CYS A 63 -2.162 -11.050 0.759 1.00 0.00 S ATOM 0 H CYS A 63 -2.748 -14.928 2.103 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.429 -13.833 0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.366 -13.156 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.310 -13.138 1.091 1.00 0.00 H new ATOM 880 N HIS A 64 0.628 -12.872 2.703 1.00 0.00 N ATOM 881 CA HIS A 64 1.285 -12.159 3.793 1.00 0.00 C ATOM 882 C HIS A 64 1.630 -10.731 3.384 1.00 0.00 C ATOM 883 O HIS A 64 2.797 -10.340 3.381 1.00 0.00 O ATOM 884 CB HIS A 64 2.557 -12.896 4.218 1.00 0.00 C ATOM 885 CG HIS A 64 2.305 -14.282 4.727 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.517 -15.412 3.967 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.861 -14.717 5.931 1.00 0.00 C ATOM 888 CE1 HIS A 64 2.214 -16.483 4.679 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.814 -16.088 5.874 1.00 0.00 N ATOM 0 H HIS A 64 1.266 -13.360 2.074 1.00 0.00 H new ATOM 0 HA HIS A 64 0.593 -12.120 4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.238 -12.948 3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.059 -12.319 4.994 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.855 -15.420 3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.594 -14.101 6.777 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.282 -17.507 4.341 1.00 0.00 H new ATOM 898 N ASN A 65 0.608 -9.955 3.039 1.00 0.00 N ATOM 899 CA ASN A 65 0.803 -8.569 2.630 1.00 0.00 C ATOM 900 C ASN A 65 1.797 -7.863 3.549 1.00 0.00 C ATOM 901 O ASN A 65 1.515 -7.629 4.725 1.00 0.00 O ATOM 902 CB ASN A 65 -0.532 -7.822 2.627 1.00 0.00 C ATOM 903 CG ASN A 65 -0.357 -6.316 2.629 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.317 -5.759 3.495 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.964 -5.649 1.656 1.00 0.00 N ATOM 0 H ASN A 65 -0.364 -10.263 3.035 1.00 0.00 H new ATOM 0 HA ASN A 65 1.211 -8.569 1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.107 -8.116 1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.112 -8.118 3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.882 -4.634 1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.513 -6.152 0.959 1.00 0.00 H new ATOM 912 N THR A 66 2.960 -7.526 3.000 1.00 0.00 N ATOM 913 CA THR A 66 4.000 -6.846 3.762 1.00 0.00 C ATOM 914 C THR A 66 4.265 -5.452 3.204 1.00 0.00 C ATOM 915 O THR A 66 3.446 -4.901 2.470 1.00 0.00 O ATOM 916 CB THR A 66 5.316 -7.646 3.756 1.00 0.00 C ATOM 917 OG1 THR A 66 6.085 -7.316 2.593 1.00 0.00 O ATOM 918 CG2 THR A 66 5.039 -9.141 3.779 1.00 0.00 C ATOM 0 H THR A 66 3.206 -7.714 2.028 1.00 0.00 H new ATOM 0 HA THR A 66 3.639 -6.764 4.787 1.00 0.00 H new ATOM 0 HB THR A 66 5.880 -7.383 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.482 -7.146 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.983 -9.686 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.479 -9.393 4.679 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.457 -9.417 2.900 1.00 0.00 H new ATOM 926 N GLU A 67 5.414 -4.885 3.556 1.00 0.00 N ATOM 927 CA GLU A 67 5.784 -3.553 3.091 1.00 0.00 C ATOM 928 C GLU A 67 6.520 -3.622 1.756 1.00 0.00 C ATOM 929 O GLU A 67 7.350 -4.504 1.537 1.00 0.00 O ATOM 930 CB GLU A 67 6.658 -2.852 4.132 1.00 0.00 C ATOM 931 CG GLU A 67 5.895 -1.873 5.008 1.00 0.00 C ATOM 932 CD GLU A 67 6.197 -2.052 6.483 1.00 0.00 C ATOM 933 OE1 GLU A 67 7.387 -2.198 6.832 1.00 0.00 O ATOM 934 OE2 GLU A 67 5.242 -2.047 7.289 1.00 0.00 O ATOM 0 H GLU A 67 6.105 -5.327 4.162 1.00 0.00 H new ATOM 0 HA GLU A 67 4.868 -2.980 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.127 -3.604 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.461 -2.320 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.145 -0.854 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.825 -2.000 4.842 1.00 0.00 H new ATOM 941 N GLY A 68 6.212 -2.679 0.869 1.00 0.00 N ATOM 942 CA GLY A 68 6.853 -2.643 -0.433 1.00 0.00 C ATOM 943 C GLY A 68 6.687 -3.938 -1.205 1.00 0.00 C ATOM 944 O GLY A 68 7.442 -4.211 -2.137 1.00 0.00 O ATOM 0 H GLY A 68 5.529 -1.939 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.436 -1.822 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.915 -2.435 -0.304 1.00 0.00 H new ATOM 948 N SER A 69 5.694 -4.733 -0.816 1.00 0.00 N ATOM 949 CA SER A 69 5.426 -6.008 -1.475 1.00 0.00 C ATOM 950 C SER A 69 4.682 -6.954 -0.538 1.00 0.00 C ATOM 951 O SER A 69 4.323 -6.578 0.578 1.00 0.00 O ATOM 952 CB SER A 69 6.732 -6.658 -1.938 1.00 0.00 C ATOM 953 OG SER A 69 6.546 -8.034 -2.222 1.00 0.00 O ATOM 0 H SER A 69 5.061 -4.516 -0.046 1.00 0.00 H new ATOM 0 HA SER A 69 4.800 -5.812 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.101 -6.147 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.493 -6.543 -1.166 1.00 0.00 H new ATOM 0 HG SER A 69 7.395 -8.425 -2.517 1.00 0.00 H new ATOM 959 N TYR A 70 4.455 -8.182 -0.993 1.00 0.00 N ATOM 960 CA TYR A 70 3.756 -9.172 -0.184 1.00 0.00 C ATOM 961 C TYR A 70 4.352 -10.560 -0.371 1.00 0.00 C ATOM 962 O TYR A 70 5.032 -10.829 -1.362 1.00 0.00 O ATOM 963 CB TYR A 70 2.264 -9.177 -0.518 1.00 0.00 C ATOM 964 CG TYR A 70 1.916 -9.849 -1.826 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.373 -9.343 -3.036 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.116 -10.984 -1.849 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.043 -9.951 -4.232 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.783 -11.599 -3.041 1.00 0.00 C ATOM 969 CZ TYR A 70 1.249 -11.078 -4.230 1.00 0.00 C ATOM 970 OH TYR A 70 0.918 -11.686 -5.418 1.00 0.00 O ATOM 0 H TYR A 70 4.744 -8.514 -1.913 1.00 0.00 H new ATOM 0 HA TYR A 70 3.878 -8.897 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.726 -9.678 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.908 -8.147 -0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.996 -8.461 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.748 -11.393 -0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.406 -9.545 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.162 -12.482 -3.041 1.00 0.00 H new ATOM 0 HH TYR A 70 0.327 -11.098 -5.933 1.00 0.00 H new ATOM 980 N ARG A 71 4.100 -11.436 0.597 1.00 0.00 N ATOM 981 CA ARG A 71 4.621 -12.796 0.548 1.00 0.00 C ATOM 982 C ARG A 71 3.491 -13.812 0.445 1.00 0.00 C ATOM 983 O ARG A 71 2.715 -13.993 1.383 1.00 0.00 O ATOM 984 CB ARG A 71 5.470 -13.088 1.788 1.00 0.00 C ATOM 985 CG ARG A 71 5.752 -11.861 2.640 1.00 0.00 C ATOM 986 CD ARG A 71 6.575 -10.832 1.880 1.00 0.00 C ATOM 987 NE ARG A 71 7.690 -10.328 2.675 1.00 0.00 N ATOM 988 CZ ARG A 71 8.800 -11.019 2.909 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.941 -12.240 2.410 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.772 -10.490 3.641 1.00 0.00 N ATOM 0 H ARG A 71 3.539 -11.228 1.423 1.00 0.00 H new ATOM 0 HA ARG A 71 5.245 -12.883 -0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.961 -13.834 2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.417 -13.526 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.810 -11.413 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.284 -12.159 3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.957 -11.279 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.934 -10.001 1.586 1.00 0.00 H new ATOM 0 HE ARG A 71 7.613 -9.392 3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.196 -12.649 1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.794 -12.769 2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.668 -9.551 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.624 -11.022 3.819 1.00 0.00 H new ATOM 1004 N CYS A 72 3.411 -14.477 -0.701 1.00 0.00 N ATOM 1005 CA CYS A 72 2.384 -15.482 -0.931 1.00 0.00 C ATOM 1006 C CYS A 72 2.880 -16.857 -0.486 1.00 0.00 C ATOM 1007 O CYS A 72 3.995 -17.259 -0.817 1.00 0.00 O ATOM 1008 CB CYS A 72 1.999 -15.503 -2.410 1.00 0.00 C ATOM 1009 SG CYS A 72 0.231 -15.194 -2.731 1.00 0.00 S ATOM 0 H CYS A 72 4.047 -14.337 -1.486 1.00 0.00 H new ATOM 0 HA CYS A 72 1.501 -15.229 -0.343 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.588 -14.753 -2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.268 -16.472 -2.830 1.00 0.00 H new ATOM 1014 N GLU A 73 2.056 -17.565 0.282 1.00 0.00 N ATOM 1015 CA GLU A 73 2.430 -18.883 0.788 1.00 0.00 C ATOM 1016 C GLU A 73 1.318 -19.910 0.574 1.00 0.00 C ATOM 1017 O GLU A 73 0.205 -19.744 1.070 1.00 0.00 O ATOM 1018 CB GLU A 73 2.761 -18.787 2.275 1.00 0.00 C ATOM 1019 CG GLU A 73 4.088 -19.426 2.643 1.00 0.00 C ATOM 1020 CD GLU A 73 5.269 -18.735 1.989 1.00 0.00 C ATOM 1021 OE1 GLU A 73 5.100 -17.593 1.513 1.00 0.00 O ATOM 1022 OE2 GLU A 73 6.364 -19.337 1.954 1.00 0.00 O ATOM 0 H GLU A 73 1.129 -17.250 0.567 1.00 0.00 H new ATOM 0 HA GLU A 73 3.305 -19.218 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.779 -17.737 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.966 -19.264 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.211 -19.401 3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.076 -20.475 2.347 1.00 0.00 H new ATOM 1029 N CYS A 74 1.634 -20.975 -0.157 1.00 0.00 N ATOM 1030 CA CYS A 74 0.665 -22.030 -0.426 1.00 0.00 C ATOM 1031 C CYS A 74 0.465 -22.946 0.789 1.00 0.00 C ATOM 1032 O CYS A 74 -0.627 -23.477 0.992 1.00 0.00 O ATOM 1033 CB CYS A 74 1.090 -22.858 -1.641 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.122 -22.866 -3.003 1.00 0.00 S ATOM 0 H CYS A 74 2.553 -21.129 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.287 -21.545 -0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.038 -22.472 -2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.268 -23.885 -1.322 1.00 0.00 H new ATOM 1039 N PRO A 75 1.522 -23.169 1.609 1.00 0.00 N ATOM 1040 CA PRO A 75 2.852 -22.564 1.419 1.00 0.00 C ATOM 1041 C PRO A 75 3.538 -23.039 0.143 1.00 0.00 C ATOM 1042 O PRO A 75 3.080 -23.975 -0.511 1.00 0.00 O ATOM 1043 CB PRO A 75 3.644 -23.036 2.650 1.00 0.00 C ATOM 1044 CG PRO A 75 2.609 -23.476 3.631 1.00 0.00 C ATOM 1045 CD PRO A 75 1.482 -24.015 2.806 1.00 0.00 C ATOM 0 HA PRO A 75 2.786 -21.480 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.319 -23.853 2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.257 -22.232 3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.004 -24.238 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.278 -22.644 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.626 -25.068 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.527 -23.936 3.325 1.00 0.00 H new ATOM 1053 N PRO A 76 4.672 -22.412 -0.207 1.00 0.00 N ATOM 1054 CA PRO A 76 5.448 -22.768 -1.390 1.00 0.00 C ATOM 1055 C PRO A 76 5.407 -24.257 -1.711 1.00 0.00 C ATOM 1056 O PRO A 76 5.528 -24.644 -2.873 1.00 0.00 O ATOM 1057 CB PRO A 76 6.856 -22.337 -0.994 1.00 0.00 C ATOM 1058 CG PRO A 76 6.651 -21.147 -0.114 1.00 0.00 C ATOM 1059 CD PRO A 76 5.301 -21.314 0.546 1.00 0.00 C ATOM 0 HA PRO A 76 5.065 -22.294 -2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.381 -23.134 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.455 -22.085 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.441 -21.080 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.685 -20.226 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.401 -21.560 1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.711 -20.399 0.486 1.00 0.00 H new ATOM 1067 N GLY A 77 5.232 -25.089 -0.683 1.00 0.00 N ATOM 1068 CA GLY A 77 5.172 -26.526 -0.899 1.00 0.00 C ATOM 1069 C GLY A 77 4.497 -26.867 -2.210 1.00 0.00 C ATOM 1070 O GLY A 77 4.836 -27.854 -2.862 1.00 0.00 O ATOM 0 H GLY A 77 5.131 -24.795 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.181 -26.938 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.630 -26.995 -0.078 1.00 0.00 H new ATOM 1074 N HIS A 78 3.545 -26.025 -2.601 1.00 0.00 N ATOM 1075 CA HIS A 78 2.817 -26.204 -3.848 1.00 0.00 C ATOM 1076 C HIS A 78 3.552 -25.485 -4.987 1.00 0.00 C ATOM 1077 O HIS A 78 4.742 -25.721 -5.197 1.00 0.00 O ATOM 1078 CB HIS A 78 1.390 -25.679 -3.682 1.00 0.00 C ATOM 1079 CG HIS A 78 0.397 -26.337 -4.588 1.00 0.00 C ATOM 1080 ND1 HIS A 78 0.716 -27.394 -5.414 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.917 -26.086 -4.795 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.358 -27.762 -6.091 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -1.362 -26.985 -5.732 1.00 0.00 N ATOM 0 H HIS A 78 3.260 -25.206 -2.065 1.00 0.00 H new ATOM 0 HA HIS A 78 2.764 -27.263 -4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.077 -25.824 -2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.383 -24.605 -3.869 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.506 -25.320 -4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.406 -28.562 -6.815 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.314 -27.043 -6.092 1.00 0.00 H new ATOM 1092 N GLN A 79 2.867 -24.597 -5.713 1.00 0.00 N ATOM 1093 CA GLN A 79 3.497 -23.863 -6.798 1.00 0.00 C ATOM 1094 C GLN A 79 2.925 -22.453 -6.865 1.00 0.00 C ATOM 1095 O GLN A 79 2.331 -22.054 -7.864 1.00 0.00 O ATOM 1096 CB GLN A 79 3.294 -24.588 -8.129 1.00 0.00 C ATOM 1097 CG GLN A 79 4.591 -24.871 -8.870 1.00 0.00 C ATOM 1098 CD GLN A 79 4.983 -23.745 -9.808 1.00 0.00 C ATOM 1099 OE1 GLN A 79 6.059 -23.161 -9.680 1.00 0.00 O ATOM 1100 NE2 GLN A 79 4.109 -23.438 -10.760 1.00 0.00 N ATOM 0 H GLN A 79 1.883 -24.374 -5.565 1.00 0.00 H new ATOM 0 HA GLN A 79 4.568 -23.802 -6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.777 -25.530 -7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.645 -23.987 -8.766 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.391 -25.032 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.486 -25.794 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.229 -23.949 -10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.318 -22.691 -11.423 1.00 0.00 H new ATOM 1109 N LEU A 80 3.100 -21.711 -5.779 1.00 0.00 N ATOM 1110 CA LEU A 80 2.598 -20.348 -5.690 1.00 0.00 C ATOM 1111 C LEU A 80 3.639 -19.350 -6.175 1.00 0.00 C ATOM 1112 O LEU A 80 4.548 -18.976 -5.433 1.00 0.00 O ATOM 1113 CB LEU A 80 2.206 -20.035 -4.247 1.00 0.00 C ATOM 1114 CG LEU A 80 1.809 -18.583 -3.973 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.297 -17.910 -5.238 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.761 -18.521 -2.872 1.00 0.00 C ATOM 0 H LEU A 80 3.589 -22.034 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 80 1.721 -20.262 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.373 -20.680 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.042 -20.294 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 80 2.696 -18.043 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.022 -16.879 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.078 -17.921 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.424 -18.447 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.488 -17.482 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.123 -19.079 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.166 -18.957 -1.959 1.00 0.00 H new ATOM 1128 N SER A 81 3.500 -18.915 -7.422 1.00 0.00 N ATOM 1129 CA SER A 81 4.431 -17.955 -7.993 1.00 0.00 C ATOM 1130 C SER A 81 4.577 -16.745 -7.072 1.00 0.00 C ATOM 1131 O SER A 81 3.595 -16.251 -6.518 1.00 0.00 O ATOM 1132 CB SER A 81 3.962 -17.522 -9.380 1.00 0.00 C ATOM 1133 OG SER A 81 5.056 -17.136 -10.193 1.00 0.00 O ATOM 0 H SER A 81 2.755 -19.211 -8.053 1.00 0.00 H new ATOM 0 HA SER A 81 5.407 -18.431 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.422 -18.341 -9.856 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.263 -16.691 -9.287 1.00 0.00 H new ATOM 0 HG SER A 81 4.855 -17.339 -11.130 1.00 0.00 H new ATOM 1139 N PRO A 82 5.813 -16.264 -6.881 1.00 0.00 N ATOM 1140 CA PRO A 82 6.098 -15.122 -6.003 1.00 0.00 C ATOM 1141 C PRO A 82 5.699 -13.777 -6.602 1.00 0.00 C ATOM 1142 O PRO A 82 6.267 -13.336 -7.599 1.00 0.00 O ATOM 1143 CB PRO A 82 7.612 -15.190 -5.823 1.00 0.00 C ATOM 1144 CG PRO A 82 8.110 -15.846 -7.065 1.00 0.00 C ATOM 1145 CD PRO A 82 7.036 -16.813 -7.491 1.00 0.00 C ATOM 0 HA PRO A 82 5.528 -15.185 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.042 -14.196 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.880 -15.765 -4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.301 -15.109 -7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.050 -16.366 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.953 -16.867 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.242 -17.823 -7.136 1.00 0.00 H new ATOM 1153 N ASN A 83 4.733 -13.125 -5.960 1.00 0.00 N ATOM 1154 CA ASN A 83 4.253 -11.813 -6.389 1.00 0.00 C ATOM 1155 C ASN A 83 3.410 -11.895 -7.661 1.00 0.00 C ATOM 1156 O ASN A 83 3.274 -10.911 -8.387 1.00 0.00 O ATOM 1157 CB ASN A 83 5.423 -10.845 -6.588 1.00 0.00 C ATOM 1158 CG ASN A 83 6.104 -10.476 -5.281 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.332 -10.416 -5.202 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.308 -10.228 -4.244 1.00 0.00 N ATOM 0 H ASN A 83 4.262 -13.489 -5.131 1.00 0.00 H new ATOM 0 HA ASN A 83 3.611 -11.434 -5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.153 -11.297 -7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.061 -9.939 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.710 -9.977 -3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.296 -10.289 -4.352 1.00 0.00 H new ATOM 1167 N ILE A 84 2.823 -13.061 -7.910 1.00 0.00 N ATOM 1168 CA ILE A 84 1.968 -13.249 -9.077 1.00 0.00 C ATOM 1169 C ILE A 84 0.507 -13.200 -8.660 1.00 0.00 C ATOM 1170 O ILE A 84 -0.368 -12.825 -9.441 1.00 0.00 O ATOM 1171 CB ILE A 84 2.231 -14.592 -9.775 1.00 0.00 C ATOM 1172 CG1 ILE A 84 3.650 -14.639 -10.341 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.209 -14.821 -10.880 1.00 0.00 C ATOM 1174 CD1 ILE A 84 4.726 -14.488 -9.291 1.00 0.00 C ATOM 0 H ILE A 84 2.923 -13.888 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 84 2.198 -12.445 -9.776 1.00 0.00 H new ATOM 0 HB ILE A 84 2.132 -15.388 -9.037 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.793 -15.586 -10.862 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.763 -13.847 -11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.407 -15.776 -11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.207 -14.833 -10.452 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.281 -14.018 -11.614 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.706 -14.531 -9.766 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.609 -13.529 -8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.640 -15.295 -8.563 1.00 0.00 H new ATOM 1186 N SER A 85 0.260 -13.581 -7.412 1.00 0.00 N ATOM 1187 CA SER A 85 -1.086 -13.587 -6.855 1.00 0.00 C ATOM 1188 C SER A 85 -1.914 -14.744 -7.406 1.00 0.00 C ATOM 1189 O SER A 85 -2.862 -14.533 -8.162 1.00 0.00 O ATOM 1190 CB SER A 85 -1.794 -12.256 -7.137 1.00 0.00 C ATOM 1191 OG SER A 85 -0.908 -11.307 -7.705 1.00 0.00 O ATOM 0 H SER A 85 0.982 -13.892 -6.762 1.00 0.00 H new ATOM 0 HA SER A 85 -0.993 -13.719 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.631 -12.424 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.208 -11.859 -6.210 1.00 0.00 H new ATOM 0 HG SER A 85 -0.988 -11.328 -8.681 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.558 -15.968 -7.019 1.00 0.00 N ATOM 1198 CA ALA A 86 -2.284 -17.149 -7.475 1.00 0.00 C ATOM 1199 C ALA A 86 -1.515 -18.437 -7.185 1.00 0.00 C ATOM 1200 O ALA A 86 -0.597 -18.799 -7.920 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.575 -17.039 -8.964 1.00 0.00 C ATOM 0 H ALA A 86 -0.776 -16.166 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.223 -17.194 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.117 -17.925 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.180 -16.152 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.637 -16.961 -9.513 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.907 -19.135 -6.120 1.00 0.00 N ATOM 1208 CA CYS A 87 -1.263 -20.393 -5.751 1.00 0.00 C ATOM 1209 C CYS A 87 -1.340 -21.382 -6.911 1.00 0.00 C ATOM 1210 O CYS A 87 -2.321 -21.391 -7.655 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.941 -20.982 -4.512 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.899 -20.992 -3.017 1.00 0.00 S ATOM 0 H CYS A 87 -2.665 -18.851 -5.500 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.215 -20.200 -5.523 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.848 -20.414 -4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.249 -22.004 -4.732 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.313 -22.217 -7.073 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.306 -23.191 -8.157 1.00 0.00 C ATOM 1219 C ILE A 88 0.440 -24.458 -7.763 1.00 0.00 C ATOM 1220 O ILE A 88 0.860 -25.204 -8.673 1.00 0.00 O ATOM 1221 CB ILE A 88 0.321 -22.610 -9.438 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.263 -21.083 -9.417 1.00 0.00 C ATOM 1223 CG2 ILE A 88 -0.389 -23.158 -10.665 1.00 0.00 C ATOM 1224 CD1 ILE A 88 0.687 -20.443 -10.722 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.597 -24.695 -6.548 1.00 0.00 O ATOM 0 H ILE A 88 0.513 -22.237 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.348 -23.440 -8.357 1.00 0.00 H new ATOM 0 HB ILE A 88 1.368 -22.910 -9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.754 -20.769 -9.182 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.904 -20.714 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.063 -22.740 -11.564 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.297 -24.244 -10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.443 -22.884 -10.628 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.621 -19.359 -10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.715 -20.727 -10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.031 -20.783 -11.524 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -1.787 18.527 -13.444 1.00 0.00 CA HETATM 1239 CA CA A 102 1.216 -4.021 1.999 1.00 0.00 CA