USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 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 Set 1.1: A 33 THR OG1 : rot 100:sc= 0.239 USER MOD Set 1.2: A 55 HIS : no HE2:sc= 0.752 K(o=0.99,f=-2.8!) USER MOD Set 2.1: A 37 SER OG : rot 178:sc= 1.2 USER MOD Set 2.2: A 39 GLN : amide:sc= 1.6 K(o=3.6,f=1.2) USER MOD Set 2.3: A 50 GLN : amide:sc= 0.839 K(o=3.6,f=0.55) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -145:sc= 0.749 (180deg=0.0115) USER MOD Set 3.2: A 26 THR OG1 : rot -167:sc= 0.359 USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.764 (180deg=0.298) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00932) USER MOD Single : A 10 THR OG1 : rot -170:sc= -0.258 USER MOD Single : A 18 HIS : no HE2:sc= 1.15 K(o=1.2,f=-7.3!) USER MOD Single : A 20 SER OG : rot -70:sc= 1.42 USER MOD Single : A 27 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.539 K(o=0.54,f=-0.016) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 35 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.7!) USER MOD Single : A 41 GLN : amide:sc= 2.29 K(o=2.3,f=-6.2!) USER MOD Single : A 42 MET CE :methyl -164:sc= 0 (180deg=-0.235) USER MOD Single : A 44 GLN : amide:sc= -0.382 K(o=-0.38,f=-12!) USER MOD Single : A 51 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.4) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 57 GLN : amide:sc= 1.15 K(o=1.2,f=-0.0056) USER MOD Single : A 61 THR OG1 : rot -62:sc= 0.716 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0.845 (180deg=0.688) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 73 HIS : no HE2:sc= 0.394 K(o=0.39,f=-6!) USER MOD Single : A 79 SER OG : rot -131:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.672 -5.411 -8.054 1.00 10.00 N ATOM 2 CA GLY A 1 13.334 -4.124 -7.910 1.00 10.00 C ATOM 3 C GLY A 1 12.375 -3.124 -7.277 1.00 10.00 C ATOM 4 O GLY A 1 12.639 -2.590 -6.203 1.00 10.00 O ATOM 0 H1 GLY A 1 13.374 -6.174 -7.971 1.00 10.00 H new ATOM 0 H2 GLY A 1 11.955 -5.518 -7.309 1.00 10.00 H new ATOM 0 H3 GLY A 1 12.213 -5.463 -8.986 1.00 10.00 H new ATOM 0 HA2 GLY A 1 14.226 -4.229 -7.292 1.00 10.00 H new ATOM 0 HA3 GLY A 1 13.662 -3.762 -8.884 1.00 10.00 H new ATOM 8 N VAL A 2 11.228 -2.914 -7.931 1.00 10.00 N ATOM 9 CA VAL A 2 10.157 -2.064 -7.414 1.00 10.00 C ATOM 10 C VAL A 2 9.663 -2.656 -6.086 1.00 10.00 C ATOM 11 O VAL A 2 9.256 -1.938 -5.176 1.00 10.00 O ATOM 12 CB VAL A 2 9.027 -1.963 -8.456 1.00 10.00 C ATOM 13 CG1 VAL A 2 7.869 -1.093 -7.948 1.00 10.00 C ATOM 14 CG2 VAL A 2 9.548 -1.358 -9.768 1.00 10.00 C ATOM 0 H VAL A 2 11.018 -3.332 -8.838 1.00 10.00 H new ATOM 0 HA VAL A 2 10.519 -1.053 -7.229 1.00 10.00 H new ATOM 0 HB VAL A 2 8.666 -2.977 -8.629 1.00 10.00 H new ATOM 0 HG11 VAL A 2 7.090 -1.044 -8.709 1.00 10.00 H new ATOM 0 HG12 VAL A 2 7.459 -1.529 -7.037 1.00 10.00 H new ATOM 0 HG13 VAL A 2 8.234 -0.088 -7.737 1.00 10.00 H new ATOM 0 HG21 VAL A 2 8.733 -1.296 -10.489 1.00 10.00 H new ATOM 0 HG22 VAL A 2 9.940 -0.359 -9.577 1.00 10.00 H new ATOM 0 HG23 VAL A 2 10.341 -1.989 -10.170 1.00 10.00 H new ATOM 24 N THR A 3 9.730 -3.983 -5.981 1.00 10.00 N ATOM 25 CA THR A 3 9.401 -4.776 -4.817 1.00 10.00 C ATOM 26 C THR A 3 10.109 -6.115 -5.022 1.00 10.00 C ATOM 27 O THR A 3 10.807 -6.302 -6.023 1.00 10.00 O ATOM 28 CB THR A 3 7.873 -4.910 -4.661 1.00 10.00 C ATOM 29 OG1 THR A 3 7.558 -5.763 -3.573 1.00 10.00 O ATOM 30 CG2 THR A 3 7.193 -5.454 -5.924 1.00 10.00 C ATOM 0 H THR A 3 10.037 -4.562 -6.763 1.00 10.00 H new ATOM 0 HA THR A 3 9.734 -4.316 -3.887 1.00 10.00 H new ATOM 0 HB THR A 3 7.496 -3.904 -4.479 1.00 10.00 H new ATOM 0 HG1 THR A 3 6.585 -5.836 -3.486 1.00 10.00 H new ATOM 0 HG21 THR A 3 6.119 -5.527 -5.756 1.00 10.00 H new ATOM 0 HG22 THR A 3 7.385 -4.780 -6.759 1.00 10.00 H new ATOM 0 HG23 THR A 3 7.592 -6.442 -6.155 1.00 10.00 H new ATOM 38 N LYS A 4 9.888 -7.048 -4.099 1.00 10.00 N ATOM 39 CA LYS A 4 10.395 -8.406 -4.191 1.00 10.00 C ATOM 40 C LYS A 4 9.424 -9.235 -5.027 1.00 10.00 C ATOM 41 O LYS A 4 9.847 -10.113 -5.774 1.00 10.00 O ATOM 42 CB LYS A 4 10.565 -9.007 -2.790 1.00 10.00 C ATOM 43 CG LYS A 4 11.656 -8.313 -1.961 1.00 10.00 C ATOM 44 CD LYS A 4 13.056 -8.570 -2.539 1.00 10.00 C ATOM 45 CE LYS A 4 14.160 -8.098 -1.584 1.00 10.00 C ATOM 46 NZ LYS A 4 14.106 -6.643 -1.358 1.00 10.00 N ATOM 0 H LYS A 4 9.343 -6.874 -3.255 1.00 10.00 H new ATOM 0 HA LYS A 4 11.374 -8.406 -4.671 1.00 10.00 H new ATOM 0 HB2 LYS A 4 9.617 -8.942 -2.257 1.00 10.00 H new ATOM 0 HB3 LYS A 4 10.807 -10.066 -2.883 1.00 10.00 H new ATOM 0 HG2 LYS A 4 11.465 -7.240 -1.933 1.00 10.00 H new ATOM 0 HG3 LYS A 4 11.615 -8.671 -0.932 1.00 10.00 H new ATOM 0 HD2 LYS A 4 13.178 -9.635 -2.738 1.00 10.00 H new ATOM 0 HD3 LYS A 4 13.156 -8.054 -3.494 1.00 10.00 H new ATOM 0 HE2 LYS A 4 14.062 -8.617 -0.631 1.00 10.00 H new ATOM 0 HE3 LYS A 4 15.134 -8.366 -1.994 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 14.898 -6.357 -0.748 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 14.174 -6.147 -2.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 13.207 -6.397 -0.896 1.00 10.00 H new ATOM 60 N GLU A 5 8.121 -8.949 -4.932 1.00 10.00 N ATOM 61 CA GLU A 5 7.085 -9.681 -5.651 1.00 10.00 C ATOM 62 C GLU A 5 7.021 -9.335 -7.141 1.00 10.00 C ATOM 63 O GLU A 5 5.936 -9.159 -7.694 1.00 10.00 O ATOM 64 CB GLU A 5 5.728 -9.483 -4.954 1.00 10.00 C ATOM 65 CG GLU A 5 5.775 -9.858 -3.466 1.00 10.00 C ATOM 66 CD GLU A 5 6.323 -11.265 -3.249 1.00 10.00 C ATOM 67 OE1 GLU A 5 5.667 -12.213 -3.736 1.00 10.00 O ATOM 68 OE2 GLU A 5 7.390 -11.364 -2.605 1.00 10.00 O ATOM 0 H GLU A 5 7.758 -8.196 -4.348 1.00 10.00 H new ATOM 0 HA GLU A 5 7.348 -10.738 -5.618 1.00 10.00 H new ATOM 0 HB2 GLU A 5 5.419 -8.442 -5.054 1.00 10.00 H new ATOM 0 HB3 GLU A 5 4.973 -10.089 -5.455 1.00 10.00 H new ATOM 0 HG2 GLU A 5 6.396 -9.140 -2.931 1.00 10.00 H new ATOM 0 HG3 GLU A 5 4.773 -9.790 -3.043 1.00 10.00 H new ATOM 75 N ILE A 6 8.161 -9.323 -7.832 1.00 10.00 N ATOM 76 CA ILE A 6 8.235 -9.120 -9.276 1.00 10.00 C ATOM 77 C ILE A 6 8.003 -10.476 -9.936 1.00 10.00 C ATOM 78 O ILE A 6 8.843 -10.937 -10.696 1.00 10.00 O ATOM 79 CB ILE A 6 9.590 -8.493 -9.658 1.00 10.00 C ATOM 80 CG1 ILE A 6 10.800 -9.216 -9.033 1.00 10.00 C ATOM 81 CG2 ILE A 6 9.562 -7.035 -9.205 1.00 10.00 C ATOM 82 CD1 ILE A 6 12.117 -8.841 -9.718 1.00 10.00 C ATOM 0 H ILE A 6 9.073 -9.456 -7.395 1.00 10.00 H new ATOM 0 HA ILE A 6 7.474 -8.421 -9.623 1.00 10.00 H new ATOM 0 HB ILE A 6 9.718 -8.583 -10.737 1.00 10.00 H new ATOM 0 HG12 ILE A 6 10.861 -8.969 -7.973 1.00 10.00 H new ATOM 0 HG13 ILE A 6 10.652 -10.294 -9.101 1.00 10.00 H new ATOM 0 HG21 ILE A 6 10.508 -6.557 -9.459 1.00 10.00 H new ATOM 0 HG22 ILE A 6 8.746 -6.514 -9.706 1.00 10.00 H new ATOM 0 HG23 ILE A 6 9.412 -6.992 -8.126 1.00 10.00 H new ATOM 0 HD11 ILE A 6 12.939 -9.375 -9.243 1.00 10.00 H new ATOM 0 HD12 ILE A 6 12.069 -9.113 -10.772 1.00 10.00 H new ATOM 0 HD13 ILE A 6 12.281 -7.767 -9.627 1.00 10.00 H new ATOM 94 N ARG A 7 6.864 -11.088 -9.586 1.00 10.00 N ATOM 95 CA ARG A 7 6.345 -12.430 -9.848 1.00 10.00 C ATOM 96 C ARG A 7 7.246 -13.438 -10.586 1.00 10.00 C ATOM 97 O ARG A 7 6.756 -14.229 -11.389 1.00 10.00 O ATOM 98 CB ARG A 7 4.963 -12.315 -10.511 1.00 10.00 C ATOM 99 CG ARG A 7 3.972 -11.395 -9.779 1.00 10.00 C ATOM 100 CD ARG A 7 3.745 -11.807 -8.318 1.00 10.00 C ATOM 101 NE ARG A 7 2.487 -11.260 -7.789 1.00 10.00 N ATOM 102 CZ ARG A 7 2.264 -9.993 -7.407 1.00 10.00 C ATOM 103 NH1 ARG A 7 3.232 -9.071 -7.448 1.00 10.00 N ATOM 104 NH2 ARG A 7 1.045 -9.652 -6.977 1.00 10.00 N ATOM 0 H ARG A 7 6.187 -10.569 -9.028 1.00 10.00 H new ATOM 0 HA ARG A 7 6.290 -12.887 -8.860 1.00 10.00 H new ATOM 0 HB2 ARG A 7 5.093 -11.949 -11.529 1.00 10.00 H new ATOM 0 HB3 ARG A 7 4.526 -13.311 -10.584 1.00 10.00 H new ATOM 0 HG2 ARG A 7 4.344 -10.371 -9.809 1.00 10.00 H new ATOM 0 HG3 ARG A 7 3.018 -11.403 -10.306 1.00 10.00 H new ATOM 0 HD2 ARG A 7 3.729 -12.894 -8.245 1.00 10.00 H new ATOM 0 HD3 ARG A 7 4.578 -11.459 -7.708 1.00 10.00 H new ATOM 0 HE ARG A 7 1.705 -11.909 -7.704 1.00 10.00 H new ATOM 0 HH11 ARG A 7 4.164 -9.325 -7.775 1.00 10.00 H new ATOM 0 HH12 ARG A 7 3.038 -8.114 -7.152 1.00 10.00 H new ATOM 0 HH21 ARG A 7 0.302 -10.350 -6.943 1.00 10.00 H new ATOM 0 HH22 ARG A 7 0.858 -8.694 -6.683 1.00 10.00 H new ATOM 118 N ILE A 8 8.545 -13.465 -10.278 1.00 10.00 N ATOM 119 CA ILE A 8 9.484 -14.438 -10.820 1.00 10.00 C ATOM 120 C ILE A 8 9.569 -15.566 -9.781 1.00 10.00 C ATOM 121 O ILE A 8 9.756 -15.253 -8.602 1.00 10.00 O ATOM 122 CB ILE A 8 10.841 -13.765 -11.104 1.00 10.00 C ATOM 123 CG1 ILE A 8 10.746 -12.985 -12.429 1.00 10.00 C ATOM 124 CG2 ILE A 8 11.995 -14.778 -11.177 1.00 10.00 C ATOM 125 CD1 ILE A 8 11.863 -11.949 -12.587 1.00 10.00 C ATOM 0 H ILE A 8 8.976 -12.800 -9.635 1.00 10.00 H new ATOM 0 HA ILE A 8 9.161 -14.848 -11.777 1.00 10.00 H new ATOM 0 HB ILE A 8 11.060 -13.091 -10.276 1.00 10.00 H new ATOM 0 HG12 ILE A 8 10.786 -13.686 -13.262 1.00 10.00 H new ATOM 0 HG13 ILE A 8 9.780 -12.483 -12.482 1.00 10.00 H new ATOM 0 HG21 ILE A 8 12.928 -14.252 -11.379 1.00 10.00 H new ATOM 0 HG22 ILE A 8 12.075 -15.308 -10.228 1.00 10.00 H new ATOM 0 HG23 ILE A 8 11.801 -15.493 -11.976 1.00 10.00 H new ATOM 0 HD11 ILE A 8 11.746 -11.430 -13.538 1.00 10.00 H new ATOM 0 HD12 ILE A 8 11.809 -11.228 -11.771 1.00 10.00 H new ATOM 0 HD13 ILE A 8 12.830 -12.451 -12.564 1.00 10.00 H new ATOM 137 N PRO A 9 9.427 -16.846 -10.178 1.00 10.00 N ATOM 138 CA PRO A 9 9.487 -18.002 -9.289 1.00 10.00 C ATOM 139 C PRO A 9 10.639 -17.975 -8.277 1.00 10.00 C ATOM 140 O PRO A 9 11.769 -18.350 -8.587 1.00 10.00 O ATOM 141 CB PRO A 9 9.574 -19.223 -10.212 1.00 10.00 C ATOM 142 CG PRO A 9 8.777 -18.771 -11.429 1.00 10.00 C ATOM 143 CD PRO A 9 9.149 -17.292 -11.537 1.00 10.00 C ATOM 0 HA PRO A 9 8.602 -18.017 -8.653 1.00 10.00 H new ATOM 0 HB2 PRO A 9 10.605 -19.465 -10.469 1.00 10.00 H new ATOM 0 HB3 PRO A 9 9.143 -20.112 -9.751 1.00 10.00 H new ATOM 0 HG2 PRO A 9 9.055 -19.326 -12.325 1.00 10.00 H new ATOM 0 HG3 PRO A 9 7.705 -18.911 -11.287 1.00 10.00 H new ATOM 0 HD2 PRO A 9 10.020 -17.155 -12.178 1.00 10.00 H new ATOM 0 HD3 PRO A 9 8.335 -16.716 -11.977 1.00 10.00 H new ATOM 151 N THR A 10 10.352 -17.548 -7.048 1.00 10.00 N ATOM 152 CA THR A 10 11.296 -17.518 -5.938 1.00 10.00 C ATOM 153 C THR A 10 10.459 -17.609 -4.667 1.00 10.00 C ATOM 154 O THR A 10 10.438 -16.707 -3.833 1.00 10.00 O ATOM 155 CB THR A 10 12.191 -16.265 -6.007 1.00 10.00 C ATOM 156 OG1 THR A 10 12.791 -16.155 -7.283 1.00 10.00 O ATOM 157 CG2 THR A 10 13.326 -16.307 -4.979 1.00 10.00 C ATOM 0 H THR A 10 9.427 -17.203 -6.792 1.00 10.00 H new ATOM 0 HA THR A 10 11.997 -18.352 -5.969 1.00 10.00 H new ATOM 0 HB THR A 10 11.540 -15.416 -5.799 1.00 10.00 H new ATOM 0 HG1 THR A 10 13.473 -15.452 -7.264 1.00 10.00 H new ATOM 0 HG21 THR A 10 13.929 -15.403 -5.066 1.00 10.00 H new ATOM 0 HG22 THR A 10 12.906 -16.367 -3.975 1.00 10.00 H new ATOM 0 HG23 THR A 10 13.952 -17.180 -5.163 1.00 10.00 H new ATOM 165 N LEU A 11 9.706 -18.705 -4.560 1.00 10.00 N ATOM 166 CA LEU A 11 8.786 -18.909 -3.460 1.00 10.00 C ATOM 167 C LEU A 11 9.512 -19.143 -2.143 1.00 10.00 C ATOM 168 O LEU A 11 10.255 -20.112 -2.002 1.00 10.00 O ATOM 169 CB LEU A 11 7.791 -20.024 -3.786 1.00 10.00 C ATOM 170 CG LEU A 11 6.769 -19.545 -4.828 1.00 10.00 C ATOM 171 CD1 LEU A 11 5.910 -20.714 -5.289 1.00 10.00 C ATOM 172 CD2 LEU A 11 5.835 -18.470 -4.256 1.00 10.00 C ATOM 0 H LEU A 11 9.723 -19.469 -5.236 1.00 10.00 H new ATOM 0 HA LEU A 11 8.214 -17.990 -3.327 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.324 -20.896 -4.165 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.275 -20.336 -2.878 1.00 10.00 H new ATOM 0 HG LEU A 11 7.333 -19.123 -5.660 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.188 -20.366 -6.028 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.546 -21.479 -5.735 1.00 10.00 H new ATOM 0 HD13 LEU A 11 5.380 -21.136 -4.435 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.127 -18.157 -5.024 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.290 -18.877 -3.404 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.423 -17.611 -3.933 1.00 10.00 H new ATOM 184 N GLU A 12 9.259 -18.253 -1.182 1.00 10.00 N ATOM 185 CA GLU A 12 9.798 -18.313 0.166 1.00 10.00 C ATOM 186 C GLU A 12 8.641 -18.182 1.154 1.00 10.00 C ATOM 187 O GLU A 12 7.623 -17.561 0.845 1.00 10.00 O ATOM 188 CB GLU A 12 10.842 -17.213 0.378 1.00 10.00 C ATOM 189 CG GLU A 12 12.068 -17.414 -0.524 1.00 10.00 C ATOM 190 CD GLU A 12 13.178 -16.407 -0.230 1.00 10.00 C ATOM 191 OE1 GLU A 12 13.369 -16.092 0.966 1.00 10.00 O ATOM 192 OE2 GLU A 12 13.819 -15.968 -1.208 1.00 10.00 O ATOM 0 H GLU A 12 8.653 -17.446 -1.332 1.00 10.00 H new ATOM 0 HA GLU A 12 10.302 -19.266 0.326 1.00 10.00 H new ATOM 0 HB2 GLU A 12 10.394 -16.241 0.172 1.00 10.00 H new ATOM 0 HB3 GLU A 12 11.155 -17.205 1.422 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.453 -18.425 -0.389 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.767 -17.324 -1.568 1.00 10.00 H new ATOM 199 N GLU A 13 8.795 -18.790 2.331 1.00 10.00 N ATOM 200 CA GLU A 13 7.779 -18.807 3.372 1.00 10.00 C ATOM 201 C GLU A 13 7.503 -17.397 3.899 1.00 10.00 C ATOM 202 O GLU A 13 8.431 -16.645 4.204 1.00 10.00 O ATOM 203 CB GLU A 13 8.247 -19.722 4.514 1.00 10.00 C ATOM 204 CG GLU A 13 7.125 -19.968 5.530 1.00 10.00 C ATOM 205 CD GLU A 13 7.613 -20.758 6.738 1.00 10.00 C ATOM 206 OE1 GLU A 13 8.001 -21.928 6.532 1.00 10.00 O ATOM 207 OE2 GLU A 13 7.593 -20.172 7.842 1.00 10.00 O ATOM 0 H GLU A 13 9.645 -19.292 2.587 1.00 10.00 H new ATOM 0 HA GLU A 13 6.849 -19.189 2.951 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.584 -20.674 4.104 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.102 -19.271 5.017 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.720 -19.012 5.861 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.311 -20.509 5.048 1.00 10.00 H new ATOM 214 N CYS A 14 6.224 -17.051 4.061 1.00 10.00 N ATOM 215 CA CYS A 14 5.833 -15.781 4.643 1.00 10.00 C ATOM 216 C CYS A 14 5.951 -15.897 6.166 1.00 10.00 C ATOM 217 O CYS A 14 4.987 -16.231 6.858 1.00 10.00 O ATOM 218 CB CYS A 14 4.417 -15.409 4.208 1.00 10.00 C ATOM 219 SG CYS A 14 3.918 -13.744 4.728 1.00 10.00 S ATOM 0 H CYS A 14 5.440 -17.645 3.792 1.00 10.00 H new ATOM 0 HA CYS A 14 6.488 -14.982 4.295 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.348 -15.478 3.122 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.716 -16.135 4.619 1.00 10.00 H new ATOM 224 N ASP A 15 7.150 -15.613 6.678 1.00 10.00 N ATOM 225 CA ASP A 15 7.487 -15.631 8.100 1.00 10.00 C ATOM 226 C ASP A 15 6.456 -14.861 8.932 1.00 10.00 C ATOM 227 O ASP A 15 6.113 -15.275 10.041 1.00 10.00 O ATOM 228 CB ASP A 15 8.896 -15.056 8.309 1.00 10.00 C ATOM 229 CG ASP A 15 8.968 -13.554 8.031 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.619 -13.170 6.893 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.342 -12.817 8.967 1.00 10.00 O ATOM 0 H ASP A 15 7.942 -15.354 6.090 1.00 10.00 H new ATOM 0 HA ASP A 15 7.471 -16.666 8.442 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.214 -15.247 9.334 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.597 -15.576 7.656 1.00 10.00 H new ATOM 236 N VAL A 16 5.947 -13.755 8.379 1.00 10.00 N ATOM 237 CA VAL A 16 4.933 -12.911 8.997 1.00 10.00 C ATOM 238 C VAL A 16 3.757 -13.767 9.482 1.00 10.00 C ATOM 239 O VAL A 16 3.421 -13.726 10.661 1.00 10.00 O ATOM 240 CB VAL A 16 4.511 -11.812 8.003 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.359 -10.953 8.533 1.00 10.00 C ATOM 242 CG2 VAL A 16 5.695 -10.887 7.691 1.00 10.00 C ATOM 0 H VAL A 16 6.241 -13.417 7.463 1.00 10.00 H new ATOM 0 HA VAL A 16 5.337 -12.414 9.879 1.00 10.00 H new ATOM 0 HB VAL A 16 4.176 -12.327 7.103 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.101 -10.194 7.794 1.00 10.00 H new ATOM 0 HG12 VAL A 16 2.491 -11.585 8.723 1.00 10.00 H new ATOM 0 HG13 VAL A 16 3.664 -10.468 9.460 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.379 -10.117 6.987 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.042 -10.418 8.611 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.506 -11.469 7.252 1.00 10.00 H new ATOM 252 N CYS A 17 3.169 -14.591 8.606 1.00 10.00 N ATOM 253 CA CYS A 17 2.093 -15.498 9.004 1.00 10.00 C ATOM 254 C CYS A 17 2.638 -16.872 9.377 1.00 10.00 C ATOM 255 O CYS A 17 1.898 -17.853 9.396 1.00 10.00 O ATOM 256 CB CYS A 17 1.037 -15.622 7.910 1.00 10.00 C ATOM 257 SG CYS A 17 1.587 -16.196 6.305 1.00 10.00 S ATOM 0 H CYS A 17 3.422 -14.646 7.619 1.00 10.00 H new ATOM 0 HA CYS A 17 1.618 -15.069 9.886 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.261 -16.301 8.264 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.570 -14.646 7.778 1.00 10.00 H new ATOM 262 N HIS A 18 3.934 -16.964 9.665 1.00 10.00 N ATOM 263 CA HIS A 18 4.587 -18.190 10.078 1.00 10.00 C ATOM 264 C HIS A 18 4.319 -19.296 9.050 1.00 10.00 C ATOM 265 O HIS A 18 4.138 -20.460 9.398 1.00 10.00 O ATOM 266 CB HIS A 18 4.120 -18.531 11.505 1.00 10.00 C ATOM 267 CG HIS A 18 3.932 -17.332 12.418 1.00 10.00 C ATOM 268 ND1 HIS A 18 4.624 -16.139 12.361 1.00 10.00 N ATOM 269 CD2 HIS A 18 2.906 -17.162 13.314 1.00 10.00 C ATOM 270 CE1 HIS A 18 4.034 -15.286 13.217 1.00 10.00 C ATOM 271 NE2 HIS A 18 2.976 -15.858 13.821 1.00 10.00 N ATOM 0 H HIS A 18 4.568 -16.167 9.615 1.00 10.00 H new ATOM 0 HA HIS A 18 5.671 -18.077 10.111 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.177 -19.074 11.443 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.847 -19.205 11.959 1.00 10.00 H new ATOM 0 HD1 HIS A 18 5.436 -15.940 11.776 1.00 10.00 H new ATOM 0 HD2 HIS A 18 2.171 -17.906 13.582 1.00 10.00 H new ATOM 0 HE1 HIS A 18 4.366 -14.274 13.396 1.00 10.00 H new ATOM 279 N GLY A 19 4.267 -18.913 7.769 1.00 10.00 N ATOM 280 CA GLY A 19 4.016 -19.829 6.668 1.00 10.00 C ATOM 281 C GLY A 19 2.578 -20.344 6.555 1.00 10.00 C ATOM 282 O GLY A 19 2.327 -21.190 5.696 1.00 10.00 O ATOM 0 H GLY A 19 4.400 -17.946 7.472 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.279 -19.330 5.735 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.683 -20.685 6.771 1.00 10.00 H new ATOM 286 N SER A 20 1.634 -19.872 7.382 1.00 10.00 N ATOM 287 CA SER A 20 0.259 -20.357 7.324 1.00 10.00 C ATOM 288 C SER A 20 -0.567 -19.572 6.302 1.00 10.00 C ATOM 289 O SER A 20 -0.760 -20.024 5.178 1.00 10.00 O ATOM 290 CB SER A 20 -0.368 -20.365 8.724 1.00 10.00 C ATOM 291 OG SER A 20 -0.489 -19.060 9.261 1.00 10.00 O ATOM 0 H SER A 20 1.802 -19.160 8.093 1.00 10.00 H new ATOM 0 HA SER A 20 0.266 -21.389 6.974 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.353 -20.830 8.677 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.241 -20.976 9.390 1.00 10.00 H new ATOM 0 HG SER A 20 0.401 -18.713 9.480 1.00 10.00 H new ATOM 297 N GLY A 21 -1.053 -18.396 6.701 1.00 10.00 N ATOM 298 CA GLY A 21 -1.871 -17.547 5.847 1.00 10.00 C ATOM 299 C GLY A 21 -2.627 -16.438 6.586 1.00 10.00 C ATOM 300 O GLY A 21 -3.197 -15.573 5.925 1.00 10.00 O ATOM 0 H GLY A 21 -0.887 -18.008 7.630 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -1.232 -17.091 5.091 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.592 -18.172 5.320 1.00 10.00 H new ATOM 304 N ALA A 22 -2.635 -16.419 7.924 1.00 10.00 N ATOM 305 CA ALA A 22 -3.286 -15.355 8.696 1.00 10.00 C ATOM 306 C ALA A 22 -2.235 -14.528 9.433 1.00 10.00 C ATOM 307 O ALA A 22 -1.113 -14.994 9.602 1.00 10.00 O ATOM 308 CB ALA A 22 -4.347 -15.933 9.629 1.00 10.00 C ATOM 0 H ALA A 22 -2.193 -17.136 8.499 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.809 -14.682 8.017 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -4.816 -15.125 10.191 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -5.103 -16.453 9.042 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -3.880 -16.633 10.321 1.00 10.00 H new ATOM 314 N LYS A 23 -2.559 -13.285 9.806 1.00 10.00 N ATOM 315 CA LYS A 23 -1.606 -12.347 10.402 1.00 10.00 C ATOM 316 C LYS A 23 -0.801 -12.938 11.585 1.00 10.00 C ATOM 317 O LYS A 23 -1.207 -13.957 12.147 1.00 10.00 O ATOM 318 CB LYS A 23 -2.349 -11.053 10.775 1.00 10.00 C ATOM 319 CG LYS A 23 -3.255 -11.274 11.992 1.00 10.00 C ATOM 320 CD LYS A 23 -3.800 -9.977 12.600 1.00 10.00 C ATOM 321 CE LYS A 23 -2.778 -9.274 13.506 1.00 10.00 C ATOM 322 NZ LYS A 23 -2.373 -10.114 14.652 1.00 10.00 N ATOM 0 H LYS A 23 -3.498 -12.900 9.701 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.843 -12.122 9.657 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.628 -10.265 10.992 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.946 -10.715 9.928 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.093 -11.907 11.700 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.697 -11.816 12.755 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.095 -9.300 11.798 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.698 -10.200 13.176 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.896 -9.012 12.921 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.204 -8.341 13.875 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.210 -9.511 15.484 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.126 -10.800 14.863 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.497 -10.623 14.417 1.00 10.00 H new ATOM 336 N PRO A 24 0.318 -12.308 11.995 1.00 10.00 N ATOM 337 CA PRO A 24 1.149 -12.793 13.090 1.00 10.00 C ATOM 338 C PRO A 24 0.337 -13.152 14.333 1.00 10.00 C ATOM 339 O PRO A 24 -0.555 -12.397 14.725 1.00 10.00 O ATOM 340 CB PRO A 24 2.140 -11.669 13.398 1.00 10.00 C ATOM 341 CG PRO A 24 2.283 -10.950 12.061 1.00 10.00 C ATOM 342 CD PRO A 24 0.884 -11.079 11.458 1.00 10.00 C ATOM 0 HA PRO A 24 1.652 -13.715 12.798 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.764 -11.003 14.175 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.095 -12.060 13.749 1.00 10.00 H new ATOM 0 HG2 PRO A 24 2.573 -9.907 12.191 1.00 10.00 H new ATOM 0 HG3 PRO A 24 3.040 -11.415 11.430 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.267 -10.220 11.721 1.00 10.00 H new ATOM 0 HD3 PRO A 24 0.932 -11.116 10.370 1.00 10.00 H new ATOM 350 N GLY A 25 0.645 -14.292 14.958 1.00 10.00 N ATOM 351 CA GLY A 25 -0.039 -14.740 16.163 1.00 10.00 C ATOM 352 C GLY A 25 -1.439 -15.285 15.871 1.00 10.00 C ATOM 353 O GLY A 25 -1.734 -16.433 16.203 1.00 10.00 O ATOM 0 H GLY A 25 1.377 -14.927 14.639 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.555 -15.514 16.648 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -0.115 -13.909 16.865 1.00 10.00 H new ATOM 357 N THR A 26 -2.311 -14.476 15.260 1.00 10.00 N ATOM 358 CA THR A 26 -3.680 -14.839 14.911 1.00 10.00 C ATOM 359 C THR A 26 -3.685 -15.818 13.729 1.00 10.00 C ATOM 360 O THR A 26 -4.165 -15.500 12.644 1.00 10.00 O ATOM 361 CB THR A 26 -4.473 -13.556 14.605 1.00 10.00 C ATOM 362 OG1 THR A 26 -4.081 -12.518 15.486 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.985 -13.770 14.718 1.00 10.00 C ATOM 0 H THR A 26 -2.072 -13.522 14.988 1.00 10.00 H new ATOM 0 HA THR A 26 -4.161 -15.348 15.746 1.00 10.00 H new ATOM 0 HB THR A 26 -4.248 -13.279 13.575 1.00 10.00 H new ATOM 0 HG1 THR A 26 -4.722 -11.779 15.427 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.502 -12.837 14.493 1.00 10.00 H new ATOM 0 HG22 THR A 26 -6.298 -14.538 14.010 1.00 10.00 H new ATOM 0 HG23 THR A 26 -6.233 -14.087 15.731 1.00 10.00 H new ATOM 371 N GLN A 27 -3.133 -17.013 13.939 1.00 10.00 N ATOM 372 CA GLN A 27 -3.027 -18.043 12.921 1.00 10.00 C ATOM 373 C GLN A 27 -4.403 -18.494 12.400 1.00 10.00 C ATOM 374 O GLN A 27 -5.407 -18.326 13.097 1.00 10.00 O ATOM 375 CB GLN A 27 -2.254 -19.240 13.497 1.00 10.00 C ATOM 376 CG GLN A 27 -2.902 -19.805 14.773 1.00 10.00 C ATOM 377 CD GLN A 27 -2.678 -21.308 14.892 1.00 10.00 C ATOM 378 OE1 GLN A 27 -1.799 -21.759 15.619 1.00 10.00 O ATOM 379 NE2 GLN A 27 -3.473 -22.100 14.177 1.00 10.00 N ATOM 0 H GLN A 27 -2.742 -17.291 14.839 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.491 -17.624 12.069 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -2.196 -20.026 12.745 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -1.231 -18.935 13.718 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -2.486 -19.303 15.647 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -3.971 -19.595 14.764 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -4.195 -21.694 13.582 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -3.360 -23.113 14.224 1.00 10.00 H new ATOM 388 N PRO A 28 -4.467 -19.108 11.204 1.00 10.00 N ATOM 389 CA PRO A 28 -5.696 -19.671 10.667 1.00 10.00 C ATOM 390 C PRO A 28 -6.243 -20.765 11.585 1.00 10.00 C ATOM 391 O PRO A 28 -5.598 -21.142 12.567 1.00 10.00 O ATOM 392 CB PRO A 28 -5.291 -20.299 9.333 1.00 10.00 C ATOM 393 CG PRO A 28 -4.040 -19.543 8.920 1.00 10.00 C ATOM 394 CD PRO A 28 -3.372 -19.348 10.277 1.00 10.00 C ATOM 0 HA PRO A 28 -6.470 -18.910 10.567 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.093 -21.365 9.440 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -6.081 -20.195 8.589 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -3.419 -20.115 8.231 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -4.270 -18.596 8.431 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.797 -20.229 10.564 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.679 -18.507 10.259 1.00 10.00 H new ATOM 402 N GLN A 29 -7.414 -21.314 11.254 1.00 10.00 N ATOM 403 CA GLN A 29 -8.014 -22.401 12.027 1.00 10.00 C ATOM 404 C GLN A 29 -8.133 -23.636 11.135 1.00 10.00 C ATOM 405 O GLN A 29 -8.701 -23.547 10.053 1.00 10.00 O ATOM 406 CB GLN A 29 -9.372 -21.950 12.582 1.00 10.00 C ATOM 407 CG GLN A 29 -9.267 -20.715 13.494 1.00 10.00 C ATOM 408 CD GLN A 29 -8.574 -21.005 14.824 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.237 -21.226 15.831 1.00 10.00 O ATOM 410 NE2 GLN A 29 -7.245 -21.007 14.859 1.00 10.00 N ATOM 0 H GLN A 29 -7.968 -21.020 10.450 1.00 10.00 H new ATOM 0 HA GLN A 29 -7.387 -22.661 12.880 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.042 -21.726 11.752 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -9.821 -22.771 13.141 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -8.720 -19.931 12.971 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.268 -20.330 13.690 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -6.712 -20.821 14.009 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -6.758 -21.195 15.735 1.00 10.00 H new ATOM 419 N THR A 30 -7.577 -24.776 11.551 1.00 10.00 N ATOM 420 CA THR A 30 -7.583 -26.029 10.809 1.00 10.00 C ATOM 421 C THR A 30 -8.959 -26.327 10.207 1.00 10.00 C ATOM 422 O THR A 30 -9.937 -26.389 10.948 1.00 10.00 O ATOM 423 CB THR A 30 -7.191 -27.139 11.795 1.00 10.00 C ATOM 424 OG1 THR A 30 -6.164 -26.648 12.640 1.00 10.00 O ATOM 425 CG2 THR A 30 -6.707 -28.391 11.063 1.00 10.00 C ATOM 0 H THR A 30 -7.094 -24.850 12.446 1.00 10.00 H new ATOM 0 HA THR A 30 -6.882 -25.966 9.977 1.00 10.00 H new ATOM 0 HB THR A 30 -8.067 -27.418 12.380 1.00 10.00 H new ATOM 0 HG1 THR A 30 -5.903 -27.345 13.277 1.00 10.00 H new ATOM 0 HG21 THR A 30 -6.438 -29.157 11.791 1.00 10.00 H new ATOM 0 HG22 THR A 30 -7.502 -28.766 10.419 1.00 10.00 H new ATOM 0 HG23 THR A 30 -5.835 -28.144 10.457 1.00 10.00 H new ATOM 433 N CYS A 31 -9.054 -26.531 8.889 1.00 10.00 N ATOM 434 CA CYS A 31 -10.337 -26.848 8.275 1.00 10.00 C ATOM 435 C CYS A 31 -10.779 -28.238 8.748 1.00 10.00 C ATOM 436 O CYS A 31 -10.091 -29.216 8.447 1.00 10.00 O ATOM 437 CB CYS A 31 -10.220 -26.817 6.754 1.00 10.00 C ATOM 438 SG CYS A 31 -11.800 -27.104 5.916 1.00 10.00 S ATOM 0 H CYS A 31 -8.269 -26.482 8.240 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.079 -26.106 8.571 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.822 -25.850 6.445 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.503 -27.574 6.435 1.00 10.00 H new ATOM 443 N PRO A 32 -11.900 -28.370 9.474 1.00 10.00 N ATOM 444 CA PRO A 32 -12.329 -29.659 9.984 1.00 10.00 C ATOM 445 C PRO A 32 -12.808 -30.564 8.849 1.00 10.00 C ATOM 446 O PRO A 32 -12.538 -31.762 8.866 1.00 10.00 O ATOM 447 CB PRO A 32 -13.419 -29.341 11.009 1.00 10.00 C ATOM 448 CG PRO A 32 -14.031 -28.042 10.486 1.00 10.00 C ATOM 449 CD PRO A 32 -12.828 -27.320 9.874 1.00 10.00 C ATOM 0 HA PRO A 32 -11.520 -30.218 10.454 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -14.160 -30.139 11.068 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -13.005 -29.216 12.010 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -14.808 -28.231 9.746 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -14.488 -27.460 11.286 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.128 -26.716 9.018 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -12.368 -26.645 10.595 1.00 10.00 H new ATOM 457 N THR A 33 -13.497 -29.994 7.855 1.00 10.00 N ATOM 458 CA THR A 33 -14.046 -30.683 6.695 1.00 10.00 C ATOM 459 C THR A 33 -13.049 -31.654 6.052 1.00 10.00 C ATOM 460 O THR A 33 -13.421 -32.765 5.688 1.00 10.00 O ATOM 461 CB THR A 33 -14.505 -29.613 5.695 1.00 10.00 C ATOM 462 OG1 THR A 33 -14.992 -28.492 6.410 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.587 -30.134 4.747 1.00 10.00 C ATOM 0 H THR A 33 -13.693 -28.993 7.842 1.00 10.00 H new ATOM 0 HA THR A 33 -14.886 -31.302 7.012 1.00 10.00 H new ATOM 0 HB THR A 33 -13.648 -29.333 5.083 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.302 -27.797 6.438 1.00 10.00 H new ATOM 0 HG21 THR A 33 -15.880 -29.341 4.058 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.198 -30.981 4.182 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.455 -30.451 5.325 1.00 10.00 H new ATOM 471 N CYS A 34 -11.788 -31.229 5.922 1.00 10.00 N ATOM 472 CA CYS A 34 -10.714 -32.035 5.349 1.00 10.00 C ATOM 473 C CYS A 34 -9.672 -32.414 6.407 1.00 10.00 C ATOM 474 O CYS A 34 -8.548 -32.770 6.067 1.00 10.00 O ATOM 475 CB CYS A 34 -10.066 -31.271 4.190 1.00 10.00 C ATOM 476 SG CYS A 34 -9.394 -29.641 4.583 1.00 10.00 S ATOM 0 H CYS A 34 -11.484 -30.301 6.217 1.00 10.00 H new ATOM 0 HA CYS A 34 -11.139 -32.965 4.971 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.261 -31.884 3.783 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -10.808 -31.154 3.400 1.00 10.00 H new ATOM 481 N HIS A 35 -10.019 -32.320 7.694 1.00 10.00 N ATOM 482 CA HIS A 35 -9.125 -32.633 8.804 1.00 10.00 C ATOM 483 C HIS A 35 -7.752 -31.967 8.616 1.00 10.00 C ATOM 484 O HIS A 35 -6.713 -32.568 8.876 1.00 10.00 O ATOM 485 CB HIS A 35 -9.004 -34.157 8.977 1.00 10.00 C ATOM 486 CG HIS A 35 -10.308 -34.906 9.137 1.00 10.00 C ATOM 487 ND1 HIS A 35 -11.571 -34.368 9.266 1.00 10.00 N ATOM 488 CD2 HIS A 35 -10.441 -36.269 9.169 1.00 10.00 C ATOM 489 CE1 HIS A 35 -12.439 -35.388 9.365 1.00 10.00 C ATOM 490 NE2 HIS A 35 -11.800 -36.566 9.315 1.00 10.00 N ATOM 0 H HIS A 35 -10.946 -32.019 7.995 1.00 10.00 H new ATOM 0 HA HIS A 35 -9.552 -32.225 9.720 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -8.478 -34.561 8.112 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -8.383 -34.357 9.850 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -11.804 -33.375 9.283 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -9.638 -36.988 9.095 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -13.508 -35.275 9.471 1.00 10.00 H new ATOM 498 N GLY A 36 -7.751 -30.712 8.160 1.00 10.00 N ATOM 499 CA GLY A 36 -6.544 -29.930 7.948 1.00 10.00 C ATOM 500 C GLY A 36 -5.707 -30.314 6.723 1.00 10.00 C ATOM 501 O GLY A 36 -4.674 -29.688 6.505 1.00 10.00 O ATOM 0 H GLY A 36 -8.606 -30.208 7.926 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -6.825 -28.881 7.858 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -5.917 -30.017 8.835 1.00 10.00 H new ATOM 505 N SER A 37 -6.097 -31.313 5.920 1.00 10.00 N ATOM 506 CA SER A 37 -5.289 -31.726 4.775 1.00 10.00 C ATOM 507 C SER A 37 -5.293 -30.659 3.677 1.00 10.00 C ATOM 508 O SER A 37 -4.254 -30.149 3.266 1.00 10.00 O ATOM 509 CB SER A 37 -5.799 -33.072 4.236 1.00 10.00 C ATOM 510 OG SER A 37 -7.076 -32.936 3.636 1.00 10.00 O ATOM 0 H SER A 37 -6.960 -31.843 6.044 1.00 10.00 H new ATOM 0 HA SER A 37 -4.257 -31.847 5.105 1.00 10.00 H new ATOM 0 HB2 SER A 37 -5.092 -33.465 3.506 1.00 10.00 H new ATOM 0 HB3 SER A 37 -5.852 -33.795 5.050 1.00 10.00 H new ATOM 0 HG SER A 37 -7.359 -33.800 3.269 1.00 10.00 H new ATOM 516 N GLY A 38 -6.496 -30.393 3.174 1.00 10.00 N ATOM 517 CA GLY A 38 -6.805 -29.516 2.059 1.00 10.00 C ATOM 518 C GLY A 38 -7.508 -30.287 0.937 1.00 10.00 C ATOM 519 O GLY A 38 -7.690 -29.734 -0.146 1.00 10.00 O ATOM 0 H GLY A 38 -7.337 -30.817 3.566 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.442 -28.699 2.399 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.887 -29.068 1.678 1.00 10.00 H new ATOM 523 N GLN A 39 -7.933 -31.537 1.171 1.00 10.00 N ATOM 524 CA GLN A 39 -8.621 -32.351 0.175 1.00 10.00 C ATOM 525 C GLN A 39 -9.792 -33.097 0.811 1.00 10.00 C ATOM 526 O GLN A 39 -9.764 -33.400 1.999 1.00 10.00 O ATOM 527 CB GLN A 39 -7.630 -33.278 -0.554 1.00 10.00 C ATOM 528 CG GLN A 39 -6.706 -34.121 0.344 1.00 10.00 C ATOM 529 CD GLN A 39 -7.425 -35.241 1.093 1.00 10.00 C ATOM 530 OE1 GLN A 39 -7.469 -35.257 2.318 1.00 10.00 O ATOM 531 NE2 GLN A 39 -7.959 -36.214 0.366 1.00 10.00 N ATOM 0 H GLN A 39 -7.805 -32.009 2.066 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.046 -31.701 -0.590 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.199 -33.954 -1.192 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.008 -32.668 -1.210 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -5.917 -34.556 -0.270 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -6.222 -33.465 1.068 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -7.909 -36.176 -0.652 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -8.420 -37.000 0.825 1.00 10.00 H new ATOM 540 N VAL A 40 -10.824 -33.379 0.016 1.00 10.00 N ATOM 541 CA VAL A 40 -12.030 -34.084 0.421 1.00 10.00 C ATOM 542 C VAL A 40 -12.207 -35.281 -0.499 1.00 10.00 C ATOM 543 O VAL A 40 -11.903 -35.173 -1.686 1.00 10.00 O ATOM 544 CB VAL A 40 -13.255 -33.163 0.300 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.251 -32.111 1.408 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.339 -32.477 -1.072 1.00 10.00 C ATOM 0 H VAL A 40 -10.839 -33.109 -0.968 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.939 -34.404 1.459 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.136 -33.797 0.405 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.126 -31.470 1.304 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -13.277 -32.605 2.379 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -12.347 -31.506 1.332 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.221 -31.838 -1.106 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.446 -31.872 -1.232 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.409 -33.234 -1.853 1.00 10.00 H new ATOM 556 N GLN A 41 -12.719 -36.396 0.027 1.00 10.00 N ATOM 557 CA GLN A 41 -12.988 -37.595 -0.747 1.00 10.00 C ATOM 558 C GLN A 41 -14.497 -37.722 -0.941 1.00 10.00 C ATOM 559 O GLN A 41 -15.223 -38.013 0.009 1.00 10.00 O ATOM 560 CB GLN A 41 -12.376 -38.818 -0.060 1.00 10.00 C ATOM 561 CG GLN A 41 -12.390 -40.037 -0.999 1.00 10.00 C ATOM 562 CD GLN A 41 -11.782 -41.277 -0.347 1.00 10.00 C ATOM 563 OE1 GLN A 41 -11.608 -41.340 0.868 1.00 10.00 O ATOM 564 NE2 GLN A 41 -11.462 -42.284 -1.151 1.00 10.00 N ATOM 0 H GLN A 41 -12.959 -36.486 1.014 1.00 10.00 H new ATOM 0 HA GLN A 41 -12.524 -37.530 -1.731 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -11.352 -38.597 0.241 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -12.933 -39.047 0.849 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -13.416 -40.252 -1.297 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -11.838 -39.799 -1.908 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -11.618 -42.204 -2.156 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -11.061 -43.138 -0.764 1.00 10.00 H new ATOM 573 N MET A 42 -14.977 -37.526 -2.167 1.00 10.00 N ATOM 574 CA MET A 42 -16.382 -37.695 -2.486 1.00 10.00 C ATOM 575 C MET A 42 -16.665 -39.190 -2.605 1.00 10.00 C ATOM 576 O MET A 42 -16.547 -39.774 -3.679 1.00 10.00 O ATOM 577 CB MET A 42 -16.743 -36.939 -3.765 1.00 10.00 C ATOM 578 CG MET A 42 -18.249 -37.061 -4.033 1.00 10.00 C ATOM 579 SD MET A 42 -18.968 -35.786 -5.094 1.00 10.00 S ATOM 580 CE MET A 42 -18.886 -34.389 -3.950 1.00 10.00 C ATOM 0 H MET A 42 -14.401 -37.247 -2.961 1.00 10.00 H new ATOM 0 HA MET A 42 -17.004 -37.276 -1.696 1.00 10.00 H new ATOM 0 HB2 MET A 42 -16.465 -35.889 -3.669 1.00 10.00 H new ATOM 0 HB3 MET A 42 -16.181 -37.342 -4.607 1.00 10.00 H new ATOM 0 HG2 MET A 42 -18.440 -38.034 -4.486 1.00 10.00 H new ATOM 0 HG3 MET A 42 -18.771 -37.047 -3.076 1.00 10.00 H new ATOM 0 HE1 MET A 42 -19.532 -33.587 -4.308 1.00 10.00 H new ATOM 0 HE2 MET A 42 -19.217 -34.708 -2.962 1.00 10.00 H new ATOM 0 HE3 MET A 42 -17.859 -34.028 -3.890 1.00 10.00 H new ATOM 590 N ARG A 43 -17.040 -39.811 -1.490 1.00 10.00 N ATOM 591 CA ARG A 43 -17.339 -41.236 -1.429 1.00 10.00 C ATOM 592 C ARG A 43 -18.682 -41.532 -2.103 1.00 10.00 C ATOM 593 O ARG A 43 -19.649 -41.890 -1.433 1.00 10.00 O ATOM 594 CB ARG A 43 -17.259 -41.726 0.024 1.00 10.00 C ATOM 595 CG ARG A 43 -15.828 -41.524 0.538 1.00 10.00 C ATOM 596 CD ARG A 43 -15.564 -42.173 1.896 1.00 10.00 C ATOM 597 NE ARG A 43 -14.133 -42.061 2.205 1.00 10.00 N ATOM 598 CZ ARG A 43 -13.516 -42.535 3.291 1.00 10.00 C ATOM 599 NH1 ARG A 43 -14.208 -43.127 4.271 1.00 10.00 N ATOM 600 NH2 ARG A 43 -12.189 -42.403 3.365 1.00 10.00 N ATOM 0 H ARG A 43 -17.145 -39.333 -0.595 1.00 10.00 H new ATOM 0 HA ARG A 43 -16.591 -41.798 -1.989 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -17.964 -41.176 0.647 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -17.536 -42.779 0.083 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -15.129 -41.932 -0.192 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -15.625 -40.455 0.611 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -16.156 -41.684 2.669 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -15.865 -43.220 1.878 1.00 10.00 H new ATOM 0 HE ARG A 43 -13.552 -41.573 1.523 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -15.221 -43.221 4.195 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -13.723 -43.484 5.094 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -11.678 -41.951 2.606 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -11.686 -42.754 4.180 1.00 10.00 H new ATOM 614 N GLN A 44 -18.751 -41.393 -3.432 1.00 10.00 N ATOM 615 CA GLN A 44 -19.966 -41.608 -4.213 1.00 10.00 C ATOM 616 C GLN A 44 -20.355 -43.090 -4.368 1.00 10.00 C ATOM 617 O GLN A 44 -20.748 -43.514 -5.452 1.00 10.00 O ATOM 618 CB GLN A 44 -19.899 -40.860 -5.560 1.00 10.00 C ATOM 619 CG GLN A 44 -18.813 -41.334 -6.545 1.00 10.00 C ATOM 620 CD GLN A 44 -17.500 -40.557 -6.454 1.00 10.00 C ATOM 621 OE1 GLN A 44 -16.429 -41.131 -6.264 1.00 10.00 O ATOM 622 NE2 GLN A 44 -17.558 -39.243 -6.646 1.00 10.00 N ATOM 0 H GLN A 44 -17.948 -41.123 -4.001 1.00 10.00 H new ATOM 0 HA GLN A 44 -20.783 -41.175 -3.637 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -20.869 -40.948 -6.050 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -19.739 -39.801 -5.357 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -18.610 -42.390 -6.364 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -19.200 -41.253 -7.561 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -18.458 -38.790 -6.802 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -16.702 -38.688 -6.638 1.00 10.00 H new ATOM 631 N GLY A 45 -20.313 -43.867 -3.284 1.00 10.00 N ATOM 632 CA GLY A 45 -20.728 -45.263 -3.238 1.00 10.00 C ATOM 633 C GLY A 45 -19.939 -46.205 -4.153 1.00 10.00 C ATOM 634 O GLY A 45 -19.149 -47.014 -3.674 1.00 10.00 O ATOM 0 H GLY A 45 -19.976 -43.525 -2.384 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -20.639 -45.619 -2.212 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -21.783 -45.321 -3.505 1.00 10.00 H new ATOM 638 N PHE A 46 -20.170 -46.124 -5.466 1.00 10.00 N ATOM 639 CA PHE A 46 -19.526 -46.979 -6.457 1.00 10.00 C ATOM 640 C PHE A 46 -18.043 -46.631 -6.579 1.00 10.00 C ATOM 641 O PHE A 46 -17.202 -47.526 -6.630 1.00 10.00 O ATOM 642 CB PHE A 46 -20.267 -46.917 -7.801 1.00 10.00 C ATOM 643 CG PHE A 46 -20.467 -45.530 -8.390 1.00 10.00 C ATOM 644 CD1 PHE A 46 -21.606 -44.775 -8.054 1.00 10.00 C ATOM 645 CD2 PHE A 46 -19.551 -45.023 -9.329 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.780 -43.485 -8.583 1.00 10.00 C ATOM 647 CE2 PHE A 46 -19.740 -43.743 -9.881 1.00 10.00 C ATOM 648 CZ PHE A 46 -20.845 -42.965 -9.494 1.00 10.00 C ATOM 0 H PHE A 46 -20.820 -45.451 -5.873 1.00 10.00 H new ATOM 0 HA PHE A 46 -19.582 -48.015 -6.123 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -19.718 -47.521 -8.524 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -21.245 -47.381 -7.675 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -22.349 -45.188 -7.388 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -18.700 -45.618 -9.627 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -22.634 -42.892 -8.289 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -19.035 -43.358 -10.603 1.00 10.00 H new ATOM 0 HZ PHE A 46 -20.975 -41.971 -9.896 1.00 10.00 H new ATOM 658 N PHE A 47 -17.730 -45.335 -6.594 1.00 10.00 N ATOM 659 CA PHE A 47 -16.371 -44.810 -6.617 1.00 10.00 C ATOM 660 C PHE A 47 -16.182 -43.943 -5.374 1.00 10.00 C ATOM 661 O PHE A 47 -17.145 -43.643 -4.664 1.00 10.00 O ATOM 662 CB PHE A 47 -16.117 -43.984 -7.891 1.00 10.00 C ATOM 663 CG PHE A 47 -16.141 -44.701 -9.231 1.00 10.00 C ATOM 664 CD1 PHE A 47 -15.923 -46.090 -9.340 1.00 10.00 C ATOM 665 CD2 PHE A 47 -16.320 -43.938 -10.401 1.00 10.00 C ATOM 666 CE1 PHE A 47 -15.982 -46.718 -10.596 1.00 10.00 C ATOM 667 CE2 PHE A 47 -16.372 -44.566 -11.657 1.00 10.00 C ATOM 668 CZ PHE A 47 -16.218 -45.959 -11.754 1.00 10.00 C ATOM 0 H PHE A 47 -18.439 -44.602 -6.590 1.00 10.00 H new ATOM 0 HA PHE A 47 -15.658 -45.634 -6.619 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -16.862 -43.189 -7.926 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -15.144 -43.504 -7.788 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -15.710 -46.673 -8.456 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -16.418 -42.865 -10.333 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -15.846 -47.787 -10.671 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -16.530 -43.977 -12.548 1.00 10.00 H new ATOM 0 HZ PHE A 47 -16.281 -46.445 -12.716 1.00 10.00 H new ATOM 678 N ALA A 48 -14.937 -43.532 -5.123 1.00 10.00 N ATOM 679 CA ALA A 48 -14.595 -42.677 -4.000 1.00 10.00 C ATOM 680 C ALA A 48 -13.422 -41.778 -4.377 1.00 10.00 C ATOM 681 O ALA A 48 -12.344 -41.886 -3.791 1.00 10.00 O ATOM 682 CB ALA A 48 -14.303 -43.546 -2.773 1.00 10.00 C ATOM 0 H ALA A 48 -14.137 -43.789 -5.701 1.00 10.00 H new ATOM 0 HA ALA A 48 -15.430 -42.024 -3.747 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -14.046 -42.908 -1.928 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -15.186 -44.136 -2.527 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -13.469 -44.214 -2.990 1.00 10.00 H new ATOM 688 N VAL A 49 -13.624 -40.894 -5.359 1.00 10.00 N ATOM 689 CA VAL A 49 -12.573 -39.980 -5.790 1.00 10.00 C ATOM 690 C VAL A 49 -12.450 -38.812 -4.817 1.00 10.00 C ATOM 691 O VAL A 49 -13.207 -38.725 -3.852 1.00 10.00 O ATOM 692 CB VAL A 49 -12.771 -39.539 -7.246 1.00 10.00 C ATOM 693 CG1 VAL A 49 -12.593 -40.764 -8.142 1.00 10.00 C ATOM 694 CG2 VAL A 49 -14.110 -38.847 -7.517 1.00 10.00 C ATOM 0 H VAL A 49 -14.504 -40.795 -5.866 1.00 10.00 H new ATOM 0 HA VAL A 49 -11.620 -40.508 -5.771 1.00 10.00 H new ATOM 0 HB VAL A 49 -12.021 -38.779 -7.467 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -12.729 -40.475 -9.184 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -11.591 -41.171 -8.006 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -13.331 -41.520 -7.875 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -14.169 -38.568 -8.569 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -14.927 -39.528 -7.276 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -14.189 -37.952 -6.899 1.00 10.00 H new ATOM 704 N GLN A 50 -11.480 -37.926 -5.056 1.00 10.00 N ATOM 705 CA GLN A 50 -11.222 -36.799 -4.183 1.00 10.00 C ATOM 706 C GLN A 50 -11.028 -35.516 -4.977 1.00 10.00 C ATOM 707 O GLN A 50 -10.705 -35.565 -6.163 1.00 10.00 O ATOM 708 CB GLN A 50 -10.023 -37.135 -3.283 1.00 10.00 C ATOM 709 CG GLN A 50 -8.682 -36.862 -3.967 1.00 10.00 C ATOM 710 CD GLN A 50 -7.530 -37.275 -3.064 1.00 10.00 C ATOM 711 OE1 GLN A 50 -7.050 -36.474 -2.268 1.00 10.00 O ATOM 712 NE2 GLN A 50 -7.092 -38.526 -3.150 1.00 10.00 N ATOM 0 H GLN A 50 -10.857 -37.977 -5.862 1.00 10.00 H new ATOM 0 HA GLN A 50 -12.087 -36.617 -3.545 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -10.086 -36.549 -2.366 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -10.073 -38.185 -2.994 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -8.629 -37.410 -4.908 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -8.600 -35.803 -4.210 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -7.512 -39.168 -3.822 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -6.336 -38.844 -2.544 1.00 10.00 H new ATOM 721 N GLN A 51 -11.211 -34.377 -4.307 1.00 10.00 N ATOM 722 CA GLN A 51 -11.052 -33.049 -4.875 1.00 10.00 C ATOM 723 C GLN A 51 -10.436 -32.141 -3.814 1.00 10.00 C ATOM 724 O GLN A 51 -10.444 -32.470 -2.628 1.00 10.00 O ATOM 725 CB GLN A 51 -12.405 -32.463 -5.320 1.00 10.00 C ATOM 726 CG GLN A 51 -13.369 -33.446 -6.007 1.00 10.00 C ATOM 727 CD GLN A 51 -14.097 -34.356 -5.018 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.035 -35.578 -5.112 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.801 -33.769 -4.053 1.00 10.00 N ATOM 0 H GLN A 51 -11.482 -34.359 -3.324 1.00 10.00 H new ATOM 0 HA GLN A 51 -10.409 -33.117 -5.752 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -12.904 -32.046 -4.445 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -12.214 -31.635 -6.002 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -14.103 -32.883 -6.583 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.811 -34.060 -6.714 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.838 -32.751 -3.995 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.304 -34.337 -3.371 1.00 10.00 H new ATOM 738 N THR A 52 -9.932 -30.983 -4.236 1.00 10.00 N ATOM 739 CA THR A 52 -9.396 -29.970 -3.344 1.00 10.00 C ATOM 740 C THR A 52 -10.531 -29.456 -2.453 1.00 10.00 C ATOM 741 O THR A 52 -11.649 -29.285 -2.936 1.00 10.00 O ATOM 742 CB THR A 52 -8.840 -28.842 -4.219 1.00 10.00 C ATOM 743 OG1 THR A 52 -8.043 -29.400 -5.245 1.00 10.00 O ATOM 744 CG2 THR A 52 -8.013 -27.851 -3.402 1.00 10.00 C ATOM 0 H THR A 52 -9.886 -30.723 -5.221 1.00 10.00 H new ATOM 0 HA THR A 52 -8.606 -30.366 -2.706 1.00 10.00 H new ATOM 0 HB THR A 52 -9.680 -28.296 -4.649 1.00 10.00 H new ATOM 0 HG1 THR A 52 -7.686 -28.682 -5.809 1.00 10.00 H new ATOM 0 HG21 THR A 52 -7.635 -27.066 -4.057 1.00 10.00 H new ATOM 0 HG22 THR A 52 -8.638 -27.408 -2.627 1.00 10.00 H new ATOM 0 HG23 THR A 52 -7.175 -28.371 -2.939 1.00 10.00 H new ATOM 752 N CYS A 53 -10.275 -29.198 -1.168 1.00 10.00 N ATOM 753 CA CYS A 53 -11.305 -28.700 -0.270 1.00 10.00 C ATOM 754 C CYS A 53 -11.614 -27.234 -0.604 1.00 10.00 C ATOM 755 O CYS A 53 -10.730 -26.389 -0.440 1.00 10.00 O ATOM 756 CB CYS A 53 -10.843 -28.824 1.180 1.00 10.00 C ATOM 757 SG CYS A 53 -12.123 -28.340 2.368 1.00 10.00 S ATOM 0 H CYS A 53 -9.362 -29.328 -0.732 1.00 10.00 H new ATOM 0 HA CYS A 53 -12.210 -29.294 -0.398 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.544 -29.854 1.375 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.961 -28.202 1.330 1.00 10.00 H new ATOM 762 N PRO A 54 -12.836 -26.892 -1.051 1.00 10.00 N ATOM 763 CA PRO A 54 -13.174 -25.522 -1.400 1.00 10.00 C ATOM 764 C PRO A 54 -13.236 -24.633 -0.159 1.00 10.00 C ATOM 765 O PRO A 54 -12.802 -23.483 -0.208 1.00 10.00 O ATOM 766 CB PRO A 54 -14.524 -25.603 -2.118 1.00 10.00 C ATOM 767 CG PRO A 54 -15.173 -26.853 -1.524 1.00 10.00 C ATOM 768 CD PRO A 54 -13.979 -27.772 -1.261 1.00 10.00 C ATOM 0 HA PRO A 54 -12.417 -25.068 -2.040 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -15.128 -24.714 -1.938 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -14.399 -25.690 -3.197 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -15.718 -26.627 -0.607 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -15.885 -27.305 -2.215 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -14.154 -28.400 -0.387 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -13.807 -28.441 -2.105 1.00 10.00 H new ATOM 776 N HIS A 55 -13.768 -25.159 0.951 1.00 10.00 N ATOM 777 CA HIS A 55 -13.947 -24.442 2.210 1.00 10.00 C ATOM 778 C HIS A 55 -12.700 -23.661 2.646 1.00 10.00 C ATOM 779 O HIS A 55 -12.830 -22.592 3.239 1.00 10.00 O ATOM 780 CB HIS A 55 -14.408 -25.426 3.295 1.00 10.00 C ATOM 781 CG HIS A 55 -15.001 -24.775 4.523 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.818 -23.473 4.935 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.859 -25.368 5.411 1.00 10.00 C ATOM 784 CE1 HIS A 55 -15.551 -23.292 6.047 1.00 10.00 C ATOM 785 NE2 HIS A 55 -16.201 -24.420 6.378 1.00 10.00 N ATOM 0 H HIS A 55 -14.094 -26.124 0.994 1.00 10.00 H new ATOM 0 HA HIS A 55 -14.717 -23.686 2.054 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -15.148 -26.101 2.864 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.558 -26.037 3.598 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -14.232 -22.773 4.479 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -16.209 -26.389 5.371 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -15.609 -22.366 6.599 1.00 10.00 H new ATOM 793 N CYS A 56 -11.507 -24.190 2.356 1.00 10.00 N ATOM 794 CA CYS A 56 -10.233 -23.552 2.671 1.00 10.00 C ATOM 795 C CYS A 56 -9.376 -23.378 1.415 1.00 10.00 C ATOM 796 O CYS A 56 -8.160 -23.251 1.525 1.00 10.00 O ATOM 797 CB CYS A 56 -9.503 -24.373 3.738 1.00 10.00 C ATOM 798 SG CYS A 56 -9.266 -26.121 3.347 1.00 10.00 S ATOM 0 H CYS A 56 -11.402 -25.090 1.887 1.00 10.00 H new ATOM 0 HA CYS A 56 -10.423 -22.554 3.066 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -8.526 -23.922 3.913 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -10.060 -24.300 4.672 1.00 10.00 H new ATOM 803 N GLN A 57 -9.987 -23.377 0.224 1.00 10.00 N ATOM 804 CA GLN A 57 -9.304 -23.218 -1.059 1.00 10.00 C ATOM 805 C GLN A 57 -8.041 -24.090 -1.149 1.00 10.00 C ATOM 806 O GLN A 57 -7.002 -23.645 -1.629 1.00 10.00 O ATOM 807 CB GLN A 57 -8.986 -21.731 -1.293 1.00 10.00 C ATOM 808 CG GLN A 57 -10.230 -20.831 -1.303 1.00 10.00 C ATOM 809 CD GLN A 57 -11.101 -21.074 -2.531 1.00 10.00 C ATOM 810 OE1 GLN A 57 -10.838 -20.533 -3.599 1.00 10.00 O ATOM 811 NE2 GLN A 57 -12.148 -21.884 -2.404 1.00 10.00 N ATOM 0 H GLN A 57 -10.996 -23.490 0.127 1.00 10.00 H new ATOM 0 HA GLN A 57 -9.970 -23.563 -1.850 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -8.305 -21.387 -0.515 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -8.463 -21.625 -2.244 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -10.816 -21.012 -0.402 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -9.922 -19.786 -1.278 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.347 -22.323 -1.505 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.752 -22.066 -3.206 1.00 10.00 H new ATOM 820 N GLY A 58 -8.122 -25.337 -0.679 1.00 10.00 N ATOM 821 CA GLY A 58 -7.002 -26.272 -0.702 1.00 10.00 C ATOM 822 C GLY A 58 -5.859 -25.947 0.265 1.00 10.00 C ATOM 823 O GLY A 58 -4.901 -26.711 0.339 1.00 10.00 O ATOM 0 H GLY A 58 -8.972 -25.725 -0.270 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -7.378 -27.269 -0.473 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -6.600 -26.308 -1.715 1.00 10.00 H new ATOM 827 N ARG A 59 -5.936 -24.849 1.022 1.00 10.00 N ATOM 828 CA ARG A 59 -4.892 -24.437 1.957 1.00 10.00 C ATOM 829 C ARG A 59 -4.958 -25.231 3.269 1.00 10.00 C ATOM 830 O ARG A 59 -4.135 -25.019 4.157 1.00 10.00 O ATOM 831 CB ARG A 59 -4.999 -22.921 2.223 1.00 10.00 C ATOM 832 CG ARG A 59 -5.037 -22.117 0.914 1.00 10.00 C ATOM 833 CD ARG A 59 -5.122 -20.597 1.116 1.00 10.00 C ATOM 834 NE ARG A 59 -5.463 -19.961 -0.166 1.00 10.00 N ATOM 835 CZ ARG A 59 -5.201 -18.704 -0.551 1.00 10.00 C ATOM 836 NH1 ARG A 59 -4.660 -17.812 0.286 1.00 10.00 N ATOM 837 NH2 ARG A 59 -5.474 -18.356 -1.811 1.00 10.00 N ATOM 0 H ARG A 59 -6.735 -24.216 1.001 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.924 -24.651 1.504 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -5.899 -22.716 2.803 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -4.151 -22.596 2.825 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -4.144 -22.346 0.333 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -5.894 -22.443 0.324 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -5.876 -20.359 1.867 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -4.171 -20.213 1.486 1.00 10.00 H new ATOM 0 HE ARG A 59 -5.957 -20.545 -0.841 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -4.436 -18.082 1.244 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -4.471 -16.862 -0.034 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -5.872 -19.040 -2.454 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -5.284 -17.406 -2.130 1.00 10.00 H new ATOM 851 N GLY A 60 -5.966 -26.097 3.441 1.00 10.00 N ATOM 852 CA GLY A 60 -6.175 -26.894 4.651 1.00 10.00 C ATOM 853 C GLY A 60 -6.559 -26.065 5.886 1.00 10.00 C ATOM 854 O GLY A 60 -6.966 -26.615 6.910 1.00 10.00 O ATOM 0 H GLY A 60 -6.673 -26.264 2.725 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -6.959 -27.627 4.460 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.264 -27.451 4.869 1.00 10.00 H new ATOM 858 N THR A 61 -6.414 -24.743 5.815 1.00 10.00 N ATOM 859 CA THR A 61 -6.592 -23.813 6.902 1.00 10.00 C ATOM 860 C THR A 61 -7.659 -22.772 6.566 1.00 10.00 C ATOM 861 O THR A 61 -7.627 -22.149 5.507 1.00 10.00 O ATOM 862 CB THR A 61 -5.232 -23.138 7.128 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.536 -22.927 5.911 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.351 -23.959 8.071 1.00 10.00 C ATOM 0 H THR A 61 -6.155 -24.278 4.945 1.00 10.00 H new ATOM 0 HA THR A 61 -6.930 -24.330 7.800 1.00 10.00 H new ATOM 0 HB THR A 61 -5.444 -22.170 7.583 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.357 -23.790 5.482 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.396 -23.453 8.209 1.00 10.00 H new ATOM 0 HG22 THR A 61 -4.849 -24.064 9.035 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.180 -24.946 7.642 1.00 10.00 H new ATOM 872 N LEU A 62 -8.580 -22.551 7.499 1.00 10.00 N ATOM 873 CA LEU A 62 -9.579 -21.507 7.409 1.00 10.00 C ATOM 874 C LEU A 62 -8.832 -20.222 7.733 1.00 10.00 C ATOM 875 O LEU A 62 -8.458 -19.992 8.890 1.00 10.00 O ATOM 876 CB LEU A 62 -10.720 -21.717 8.412 1.00 10.00 C ATOM 877 CG LEU A 62 -11.466 -23.044 8.238 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.458 -23.198 9.396 1.00 10.00 C ATOM 879 CD2 LEU A 62 -12.220 -23.098 6.907 1.00 10.00 C ATOM 0 H LEU A 62 -8.649 -23.106 8.352 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.043 -21.493 6.423 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.315 -21.670 9.423 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.431 -20.897 8.315 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.739 -23.857 8.238 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.999 -24.138 9.289 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -11.916 -23.197 10.342 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.165 -22.369 9.382 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.736 -24.054 6.820 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.948 -22.287 6.868 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.513 -22.991 6.084 1.00 10.00 H new ATOM 891 N ILE A 63 -8.583 -19.423 6.696 1.00 10.00 N ATOM 892 CA ILE A 63 -7.875 -18.159 6.764 1.00 10.00 C ATOM 893 C ILE A 63 -8.760 -17.159 7.514 1.00 10.00 C ATOM 894 O ILE A 63 -9.419 -16.319 6.906 1.00 10.00 O ATOM 895 CB ILE A 63 -7.492 -17.717 5.337 1.00 10.00 C ATOM 896 CG1 ILE A 63 -6.725 -18.804 4.554 1.00 10.00 C ATOM 897 CG2 ILE A 63 -6.668 -16.424 5.360 1.00 10.00 C ATOM 898 CD1 ILE A 63 -5.505 -19.370 5.288 1.00 10.00 C ATOM 0 H ILE A 63 -8.884 -19.654 5.749 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.939 -18.237 7.317 1.00 10.00 H new ATOM 0 HB ILE A 63 -8.434 -17.540 4.818 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -7.409 -19.622 4.327 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -6.399 -18.387 3.601 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -6.413 -16.137 4.340 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -7.251 -15.629 5.825 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.754 -16.585 5.931 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -5.026 -20.127 4.667 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -4.798 -18.566 5.492 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.823 -19.820 6.228 1.00 10.00 H new ATOM 910 N LYS A 64 -8.788 -17.294 8.846 1.00 10.00 N ATOM 911 CA LYS A 64 -9.564 -16.490 9.786 1.00 10.00 C ATOM 912 C LYS A 64 -9.528 -15.006 9.401 1.00 10.00 C ATOM 913 O LYS A 64 -10.553 -14.329 9.422 1.00 10.00 O ATOM 914 CB LYS A 64 -9.008 -16.732 11.200 1.00 10.00 C ATOM 915 CG LYS A 64 -9.658 -15.919 12.335 1.00 10.00 C ATOM 916 CD LYS A 64 -10.929 -16.536 12.943 1.00 10.00 C ATOM 917 CE LYS A 64 -12.150 -16.607 12.018 1.00 10.00 C ATOM 918 NZ LYS A 64 -12.453 -15.309 11.387 1.00 10.00 N ATOM 0 H LYS A 64 -8.236 -18.010 9.319 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.612 -16.787 9.758 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -9.114 -17.791 11.433 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -7.940 -16.513 11.190 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -8.924 -15.784 13.129 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -9.902 -14.927 11.955 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -10.694 -17.546 13.280 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -11.201 -15.960 13.828 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -11.972 -17.352 11.243 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -13.016 -16.941 12.589 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -13.375 -15.362 10.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -12.482 -14.567 12.115 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -11.715 -15.081 10.690 1.00 10.00 H new ATOM 932 N ASP A 65 -8.340 -14.528 9.028 1.00 10.00 N ATOM 933 CA ASP A 65 -8.070 -13.199 8.513 1.00 10.00 C ATOM 934 C ASP A 65 -6.955 -13.407 7.486 1.00 10.00 C ATOM 935 O ASP A 65 -6.133 -14.296 7.702 1.00 10.00 O ATOM 936 CB ASP A 65 -7.644 -12.247 9.640 1.00 10.00 C ATOM 937 CG ASP A 65 -6.308 -12.640 10.261 1.00 10.00 C ATOM 938 OD1 ASP A 65 -5.272 -12.353 9.619 1.00 10.00 O ATOM 939 OD2 ASP A 65 -6.346 -13.215 11.370 1.00 10.00 O ATOM 0 H ASP A 65 -7.496 -15.097 9.083 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.949 -12.736 8.065 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -7.574 -11.232 9.248 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.412 -12.238 10.413 1.00 10.00 H new ATOM 944 N PRO A 66 -6.912 -12.663 6.376 1.00 10.00 N ATOM 945 CA PRO A 66 -5.900 -12.857 5.354 1.00 10.00 C ATOM 946 C PRO A 66 -4.608 -12.097 5.669 1.00 10.00 C ATOM 947 O PRO A 66 -4.623 -10.875 5.823 1.00 10.00 O ATOM 948 CB PRO A 66 -6.552 -12.312 4.081 1.00 10.00 C ATOM 949 CG PRO A 66 -7.423 -11.163 4.595 1.00 10.00 C ATOM 950 CD PRO A 66 -7.868 -11.641 5.980 1.00 10.00 C ATOM 0 HA PRO A 66 -5.603 -13.903 5.271 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.807 -11.963 3.365 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -7.147 -13.073 3.576 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.862 -10.230 4.654 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.275 -10.982 3.940 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.876 -10.817 6.693 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.880 -12.045 5.947 1.00 10.00 H new ATOM 958 N CYS A 67 -3.464 -12.792 5.697 1.00 10.00 N ATOM 959 CA CYS A 67 -2.168 -12.140 5.805 1.00 10.00 C ATOM 960 C CYS A 67 -1.931 -11.449 4.453 1.00 10.00 C ATOM 961 O CYS A 67 -1.343 -12.035 3.538 1.00 10.00 O ATOM 962 CB CYS A 67 -1.069 -13.171 6.080 1.00 10.00 C ATOM 963 SG CYS A 67 0.621 -12.500 6.115 1.00 10.00 S ATOM 0 H CYS A 67 -3.418 -13.810 5.646 1.00 10.00 H new ATOM 0 HA CYS A 67 -2.148 -11.426 6.628 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -1.273 -13.651 7.037 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -1.120 -13.947 5.316 1.00 10.00 H new ATOM 968 N ASN A 68 -2.463 -10.231 4.311 1.00 10.00 N ATOM 969 CA ASN A 68 -2.445 -9.426 3.094 1.00 10.00 C ATOM 970 C ASN A 68 -1.119 -9.506 2.340 1.00 10.00 C ATOM 971 O ASN A 68 -1.126 -9.702 1.127 1.00 10.00 O ATOM 972 CB ASN A 68 -2.796 -7.968 3.412 1.00 10.00 C ATOM 973 CG ASN A 68 -2.820 -7.121 2.139 1.00 10.00 C ATOM 974 OD1 ASN A 68 -3.259 -7.577 1.089 1.00 10.00 O ATOM 975 ND2 ASN A 68 -2.345 -5.881 2.216 1.00 10.00 N ATOM 0 H ASN A 68 -2.940 -9.761 5.080 1.00 10.00 H new ATOM 0 HA ASN A 68 -3.203 -9.845 2.432 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.769 -7.923 3.902 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -2.067 -7.559 4.112 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.340 -5.284 1.389 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.986 -5.527 3.102 1.00 10.00 H new ATOM 982 N LYS A 69 0.006 -9.384 3.056 1.00 10.00 N ATOM 983 CA LYS A 69 1.355 -9.456 2.498 1.00 10.00 C ATOM 984 C LYS A 69 1.510 -10.583 1.468 1.00 10.00 C ATOM 985 O LYS A 69 2.178 -10.398 0.454 1.00 10.00 O ATOM 986 CB LYS A 69 2.377 -9.623 3.635 1.00 10.00 C ATOM 987 CG LYS A 69 3.819 -9.576 3.106 1.00 10.00 C ATOM 988 CD LYS A 69 4.834 -9.738 4.242 1.00 10.00 C ATOM 989 CE LYS A 69 6.259 -9.751 3.673 1.00 10.00 C ATOM 990 NZ LYS A 69 7.267 -9.948 4.729 1.00 10.00 N ATOM 0 H LYS A 69 -0.001 -9.229 4.064 1.00 10.00 H new ATOM 0 HA LYS A 69 1.540 -8.522 1.968 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.233 -8.835 4.374 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.205 -10.572 4.144 1.00 10.00 H new ATOM 0 HG2 LYS A 69 3.965 -10.367 2.370 1.00 10.00 H new ATOM 0 HG3 LYS A 69 3.990 -8.629 2.595 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.726 -8.922 4.957 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.641 -10.664 4.784 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.348 -10.546 2.933 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.453 -8.811 3.156 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.217 -9.951 4.306 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.199 -9.176 5.422 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.097 -10.857 5.206 1.00 10.00 H new ATOM 1004 N CYS A 70 0.908 -11.746 1.737 1.00 10.00 N ATOM 1005 CA CYS A 70 0.979 -12.911 0.863 1.00 10.00 C ATOM 1006 C CYS A 70 -0.411 -13.337 0.394 1.00 10.00 C ATOM 1007 O CYS A 70 -0.593 -14.488 -0.002 1.00 10.00 O ATOM 1008 CB CYS A 70 1.642 -14.046 1.646 1.00 10.00 C ATOM 1009 SG CYS A 70 0.687 -14.616 3.071 1.00 10.00 S ATOM 0 H CYS A 70 0.353 -11.902 2.578 1.00 10.00 H new ATOM 0 HA CYS A 70 1.560 -12.666 -0.026 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.809 -14.888 0.974 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.622 -13.713 1.989 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.403 -12.444 0.487 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.801 -12.725 0.171 1.00 10.00 C ATOM 1016 C HIS A 71 -3.214 -14.064 0.809 1.00 10.00 C ATOM 1017 O HIS A 71 -3.869 -14.911 0.201 1.00 10.00 O ATOM 1018 CB HIS A 71 -3.021 -12.658 -1.346 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.814 -11.292 -1.960 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -2.413 -10.138 -1.320 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -2.983 -10.985 -3.285 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -2.346 -9.163 -2.242 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -2.682 -9.631 -3.455 1.00 10.00 N ATOM 0 H HIS A 71 -1.248 -11.483 0.792 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.455 -11.966 0.600 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.344 -13.363 -1.828 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -4.036 -12.989 -1.566 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -2.205 -10.042 -0.326 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -3.294 -11.669 -4.061 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -2.061 -8.142 -2.036 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.772 -14.243 2.056 1.00 10.00 N ATOM 1032 CA GLY A 72 -2.996 -15.423 2.868 1.00 10.00 C ATOM 1033 C GLY A 72 -2.628 -16.767 2.230 1.00 10.00 C ATOM 1034 O GLY A 72 -3.190 -17.786 2.627 1.00 10.00 O ATOM 0 H GLY A 72 -2.224 -13.532 2.541 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.427 -15.316 3.792 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.050 -15.453 3.145 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.700 -16.809 1.265 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.255 -18.077 0.675 1.00 10.00 C ATOM 1040 C HIS A 73 -0.258 -18.740 1.628 1.00 10.00 C ATOM 1041 O HIS A 73 -0.254 -19.956 1.805 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.626 -17.844 -0.702 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.618 -17.325 -1.709 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -1.953 -16.006 -1.892 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -2.423 -18.072 -2.525 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -2.941 -15.957 -2.800 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -3.269 -17.192 -3.212 1.00 10.00 N ATOM 0 H HIS A 73 -1.245 -15.982 0.878 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.112 -18.735 0.533 1.00 10.00 H new ATOM 0 HB2 HIS A 73 0.196 -17.134 -0.607 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.199 -18.779 -1.066 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -1.528 -15.207 -1.422 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -2.409 -19.148 -2.622 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -3.408 -15.049 -3.151 1.00 10.00 H new ATOM 1055 N GLY A 74 0.588 -17.905 2.233 1.00 10.00 N ATOM 1056 CA GLY A 74 1.592 -18.269 3.221 1.00 10.00 C ATOM 1057 C GLY A 74 3.003 -18.385 2.651 1.00 10.00 C ATOM 1058 O GLY A 74 3.955 -18.606 3.400 1.00 10.00 O ATOM 0 H GLY A 74 0.587 -16.905 2.033 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.592 -17.524 4.017 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.314 -19.220 3.674 1.00 10.00 H new ATOM 1062 N ARG A 75 3.162 -18.167 1.347 1.00 10.00 N ATOM 1063 CA ARG A 75 4.443 -18.148 0.666 1.00 10.00 C ATOM 1064 C ARG A 75 4.388 -17.017 -0.358 1.00 10.00 C ATOM 1065 O ARG A 75 3.298 -16.658 -0.802 1.00 10.00 O ATOM 1066 CB ARG A 75 4.772 -19.519 0.059 1.00 10.00 C ATOM 1067 CG ARG A 75 3.670 -20.092 -0.848 1.00 10.00 C ATOM 1068 CD ARG A 75 3.095 -21.418 -0.326 1.00 10.00 C ATOM 1069 NE ARG A 75 2.268 -21.239 0.879 1.00 10.00 N ATOM 1070 CZ ARG A 75 2.556 -21.627 2.132 1.00 10.00 C ATOM 1071 NH1 ARG A 75 3.758 -22.104 2.466 1.00 10.00 N ATOM 1072 NH2 ARG A 75 1.609 -21.509 3.065 1.00 10.00 N ATOM 0 H ARG A 75 2.375 -17.994 0.721 1.00 10.00 H new ATOM 0 HA ARG A 75 5.262 -17.956 1.359 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.694 -19.436 -0.517 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.964 -20.224 0.868 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.865 -19.363 -0.938 1.00 10.00 H new ATOM 0 HG3 ARG A 75 4.074 -20.246 -1.849 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.495 -21.883 -1.108 1.00 10.00 H new ATOM 0 HD3 ARG A 75 3.914 -22.102 -0.103 1.00 10.00 H new ATOM 0 HE ARG A 75 1.374 -20.766 0.747 1.00 10.00 H new ATOM 0 HH11 ARG A 75 4.490 -22.182 1.760 1.00 10.00 H new ATOM 0 HH12 ARG A 75 3.944 -22.390 3.427 1.00 10.00 H new ATOM 0 HH21 ARG A 75 0.694 -21.132 2.818 1.00 10.00 H new ATOM 0 HH22 ARG A 75 1.800 -21.796 4.025 1.00 10.00 H new ATOM 1086 N VAL A 76 5.540 -16.424 -0.677 1.00 10.00 N ATOM 1087 CA VAL A 76 5.646 -15.268 -1.558 1.00 10.00 C ATOM 1088 C VAL A 76 6.799 -15.451 -2.543 1.00 10.00 C ATOM 1089 O VAL A 76 7.843 -15.990 -2.169 1.00 10.00 O ATOM 1090 CB VAL A 76 5.834 -13.998 -0.707 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.537 -13.642 0.021 1.00 10.00 C ATOM 1092 CG2 VAL A 76 6.963 -14.107 0.326 1.00 10.00 C ATOM 0 H VAL A 76 6.441 -16.743 -0.321 1.00 10.00 H new ATOM 0 HA VAL A 76 4.731 -15.167 -2.141 1.00 10.00 H new ATOM 0 HB VAL A 76 6.111 -13.215 -1.412 1.00 10.00 H new ATOM 0 HG11 VAL A 76 4.689 -12.742 0.617 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.747 -13.464 -0.709 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.249 -14.465 0.674 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.035 -13.175 0.886 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.751 -14.927 1.012 1.00 10.00 H new ATOM 0 HG23 VAL A 76 7.907 -14.296 -0.185 1.00 10.00 H new ATOM 1102 N GLU A 77 6.616 -14.995 -3.791 1.00 10.00 N ATOM 1103 CA GLU A 77 7.635 -15.045 -4.833 1.00 10.00 C ATOM 1104 C GLU A 77 8.609 -13.912 -4.540 1.00 10.00 C ATOM 1105 O GLU A 77 8.549 -12.851 -5.154 1.00 10.00 O ATOM 1106 CB GLU A 77 7.020 -14.895 -6.230 1.00 10.00 C ATOM 1107 CG GLU A 77 6.279 -16.145 -6.704 1.00 10.00 C ATOM 1108 CD GLU A 77 5.814 -15.974 -8.147 1.00 10.00 C ATOM 1109 OE1 GLU A 77 4.812 -15.252 -8.337 1.00 10.00 O ATOM 1110 OE2 GLU A 77 6.484 -16.547 -9.032 1.00 10.00 O ATOM 0 H GLU A 77 5.740 -14.576 -4.103 1.00 10.00 H new ATOM 0 HA GLU A 77 8.142 -16.010 -4.829 1.00 10.00 H new ATOM 0 HB2 GLU A 77 6.329 -14.052 -6.226 1.00 10.00 H new ATOM 0 HB3 GLU A 77 7.810 -14.657 -6.943 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.933 -17.014 -6.627 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.421 -16.333 -6.059 1.00 10.00 H new ATOM 1117 N ARG A 78 9.488 -14.143 -3.573 1.00 10.00 N ATOM 1118 CA ARG A 78 10.439 -13.168 -3.080 1.00 10.00 C ATOM 1119 C ARG A 78 11.611 -12.985 -4.050 1.00 10.00 C ATOM 1120 O ARG A 78 12.764 -13.211 -3.690 1.00 10.00 O ATOM 1121 CB ARG A 78 10.857 -13.614 -1.673 1.00 10.00 C ATOM 1122 CG ARG A 78 11.469 -12.472 -0.850 1.00 10.00 C ATOM 1123 CD ARG A 78 11.749 -12.931 0.585 1.00 10.00 C ATOM 1124 NE ARG A 78 10.503 -13.295 1.280 1.00 10.00 N ATOM 1125 CZ ARG A 78 10.367 -14.214 2.248 1.00 10.00 C ATOM 1126 NH1 ARG A 78 11.407 -14.938 2.678 1.00 10.00 N ATOM 1127 NH2 ARG A 78 9.161 -14.421 2.783 1.00 10.00 N ATOM 0 H ARG A 78 9.557 -15.043 -3.099 1.00 10.00 H new ATOM 0 HA ARG A 78 9.992 -12.176 -3.014 1.00 10.00 H new ATOM 0 HB2 ARG A 78 9.988 -14.010 -1.148 1.00 10.00 H new ATOM 0 HB3 ARG A 78 11.579 -14.427 -1.753 1.00 10.00 H new ATOM 0 HG2 ARG A 78 12.395 -12.136 -1.317 1.00 10.00 H new ATOM 0 HG3 ARG A 78 10.789 -11.620 -0.839 1.00 10.00 H new ATOM 0 HD2 ARG A 78 12.424 -13.787 0.571 1.00 10.00 H new ATOM 0 HD3 ARG A 78 12.255 -12.135 1.132 1.00 10.00 H new ATOM 0 HE ARG A 78 9.658 -12.798 0.997 1.00 10.00 H new ATOM 0 HH11 ARG A 78 12.330 -14.797 2.268 1.00 10.00 H new ATOM 0 HH12 ARG A 78 11.276 -15.630 3.416 1.00 10.00 H new ATOM 0 HH21 ARG A 78 8.358 -13.884 2.455 1.00 10.00 H new ATOM 0 HH22 ARG A 78 9.042 -15.116 3.520 1.00 10.00 H new ATOM 1141 N SER A 79 11.316 -12.561 -5.281 1.00 10.00 N ATOM 1142 CA SER A 79 12.298 -12.287 -6.318 1.00 10.00 C ATOM 1143 C SER A 79 12.555 -10.783 -6.362 1.00 10.00 C ATOM 1144 O SER A 79 13.258 -10.237 -5.511 1.00 10.00 O ATOM 1145 CB SER A 79 11.786 -12.810 -7.666 1.00 10.00 C ATOM 1146 OG SER A 79 10.379 -12.686 -7.779 1.00 10.00 O ATOM 0 H SER A 79 10.357 -12.396 -5.587 1.00 10.00 H new ATOM 0 HA SER A 79 13.237 -12.796 -6.101 1.00 10.00 H new ATOM 0 HB2 SER A 79 12.265 -12.259 -8.475 1.00 10.00 H new ATOM 0 HB3 SER A 79 12.069 -13.856 -7.781 1.00 10.00 H new ATOM 0 HG SER A 79 10.000 -13.535 -8.088 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 1.709 -14.253 5.086 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.660 -27.802 4.052 1.00 10.00 ZN