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 152:sc= 1.34 USER MOD Set 1.2: A 55 HIS : no HD1:sc= 0.968 K(o=2.3,f=-5.6!) USER MOD Set 2.1: A 27 GLN : amide:sc= 1.22 K(o=2.3,f=-2.6!) USER MOD Set 2.2: A 29 GLN : amide:sc= 1.05 K(o=2.3,f=-2.6) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -144:sc= 0.571 (180deg=-0.171) USER MOD Set 3.2: A 26 THR OG1 : rot 64:sc= 1.05 USER MOD Set 4.1: A 1 GLY N :NH3+ -160:sc= 0.986 (180deg=0) USER MOD Set 4.2: A 3 THR OG1 : rot 180:sc= 0.881 USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0.591 (180deg=0.585) USER MOD Single : A 10 THR OG1 : rot 111:sc= -0.236 USER MOD Single : A 18 HIS : no HE2:sc= 1.29 K(o=1.3,f=-8!) USER MOD Single : A 20 SER OG : rot -64:sc= 1.4 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 35 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.7!) USER MOD Single : A 37 SER OG : rot 92:sc= 1.16 USER MOD Single : A 39 GLN : amide:sc= -1.28! C(o=-1.3!,f=-6.3!) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-0.29) USER MOD Single : A 42 MET CE :methyl -179:sc= 0 (180deg=-0.00337) USER MOD Single : A 44 GLN : amide:sc= 0.0503 K(o=0.05,f=-0.66) USER MOD Single : A 50 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.47) USER MOD Single : A 51 GLN : amide:sc= -0.613 X(o=-0.61,f=-1) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 57 GLN : amide:sc= 1.67 K(o=1.7,f=-8.8!) USER MOD Single : A 61 THR OG1 : rot 43:sc= 0.161 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0526) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0319) USER MOD Single : A 71 HIS : no HE2:sc= 1.01 K(o=1,f=-3.7!) USER MOD Single : A 73 HIS : no HE2:sc= 0.679 K(o=0.68,f=-3!) USER MOD Single : A 79 SER OG : rot 61:sc= 0.455 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.954 -0.514 -6.765 1.00 10.00 N ATOM 2 CA GLY A 1 11.285 0.116 -7.888 1.00 10.00 C ATOM 3 C GLY A 1 11.308 -0.845 -9.070 1.00 10.00 C ATOM 4 O GLY A 1 10.276 -1.394 -9.457 1.00 10.00 O ATOM 0 H1 GLY A 1 11.664 -0.047 -5.882 1.00 10.00 H new ATOM 0 H2 GLY A 1 11.694 -1.520 -6.726 1.00 10.00 H new ATOM 0 H3 GLY A 1 12.984 -0.427 -6.881 1.00 10.00 H new ATOM 0 HA2 GLY A 1 10.257 0.366 -7.624 1.00 10.00 H new ATOM 0 HA3 GLY A 1 11.783 1.049 -8.150 1.00 10.00 H new ATOM 8 N VAL A 2 12.512 -1.093 -9.596 1.00 10.00 N ATOM 9 CA VAL A 2 12.753 -2.046 -10.677 1.00 10.00 C ATOM 10 C VAL A 2 12.194 -3.418 -10.277 1.00 10.00 C ATOM 11 O VAL A 2 11.695 -4.164 -11.120 1.00 10.00 O ATOM 12 CB VAL A 2 14.259 -2.102 -10.998 1.00 10.00 C ATOM 13 CG1 VAL A 2 14.557 -3.106 -12.120 1.00 10.00 C ATOM 14 CG2 VAL A 2 14.776 -0.723 -11.435 1.00 10.00 C ATOM 0 H VAL A 2 13.360 -0.627 -9.274 1.00 10.00 H new ATOM 0 HA VAL A 2 12.240 -1.727 -11.584 1.00 10.00 H new ATOM 0 HB VAL A 2 14.764 -2.418 -10.085 1.00 10.00 H new ATOM 0 HG11 VAL A 2 15.628 -3.120 -12.321 1.00 10.00 H new ATOM 0 HG12 VAL A 2 14.232 -4.100 -11.814 1.00 10.00 H new ATOM 0 HG13 VAL A 2 14.022 -2.812 -13.023 1.00 10.00 H new ATOM 0 HG21 VAL A 2 15.841 -0.787 -11.656 1.00 10.00 H new ATOM 0 HG22 VAL A 2 14.239 -0.399 -12.327 1.00 10.00 H new ATOM 0 HG23 VAL A 2 14.615 -0.003 -10.633 1.00 10.00 H new ATOM 24 N THR A 3 12.223 -3.711 -8.972 1.00 10.00 N ATOM 25 CA THR A 3 11.662 -4.895 -8.350 1.00 10.00 C ATOM 26 C THR A 3 10.245 -5.183 -8.861 1.00 10.00 C ATOM 27 O THR A 3 9.892 -6.342 -9.067 1.00 10.00 O ATOM 28 CB THR A 3 11.676 -4.681 -6.829 1.00 10.00 C ATOM 29 OG1 THR A 3 11.352 -3.332 -6.526 1.00 10.00 O ATOM 30 CG2 THR A 3 13.066 -4.971 -6.256 1.00 10.00 C ATOM 0 H THR A 3 12.664 -3.090 -8.294 1.00 10.00 H new ATOM 0 HA THR A 3 12.262 -5.767 -8.609 1.00 10.00 H new ATOM 0 HB THR A 3 10.944 -5.359 -6.390 1.00 10.00 H new ATOM 0 HG1 THR A 3 11.361 -3.204 -5.554 1.00 10.00 H new ATOM 0 HG21 THR A 3 13.055 -4.814 -5.177 1.00 10.00 H new ATOM 0 HG22 THR A 3 13.339 -6.004 -6.469 1.00 10.00 H new ATOM 0 HG23 THR A 3 13.795 -4.302 -6.713 1.00 10.00 H new ATOM 38 N LYS A 4 9.436 -4.141 -9.087 1.00 10.00 N ATOM 39 CA LYS A 4 8.076 -4.299 -9.584 1.00 10.00 C ATOM 40 C LYS A 4 8.052 -4.827 -11.022 1.00 10.00 C ATOM 41 O LYS A 4 7.099 -5.505 -11.404 1.00 10.00 O ATOM 42 CB LYS A 4 7.330 -2.962 -9.521 1.00 10.00 C ATOM 43 CG LYS A 4 7.307 -2.364 -8.108 1.00 10.00 C ATOM 44 CD LYS A 4 6.327 -1.184 -8.009 1.00 10.00 C ATOM 45 CE LYS A 4 6.549 -0.105 -9.077 1.00 10.00 C ATOM 46 NZ LYS A 4 7.936 0.394 -9.084 1.00 10.00 N ATOM 0 H LYS A 4 9.710 -3.171 -8.929 1.00 10.00 H new ATOM 0 HA LYS A 4 7.581 -5.030 -8.945 1.00 10.00 H new ATOM 0 HB2 LYS A 4 7.802 -2.255 -10.203 1.00 10.00 H new ATOM 0 HB3 LYS A 4 6.306 -3.105 -9.868 1.00 10.00 H new ATOM 0 HG2 LYS A 4 7.023 -3.134 -7.391 1.00 10.00 H new ATOM 0 HG3 LYS A 4 8.309 -2.030 -7.837 1.00 10.00 H new ATOM 0 HD2 LYS A 4 5.308 -1.562 -8.093 1.00 10.00 H new ATOM 0 HD3 LYS A 4 6.418 -0.730 -7.022 1.00 10.00 H new ATOM 0 HE2 LYS A 4 6.306 -0.512 -10.058 1.00 10.00 H new ATOM 0 HE3 LYS A 4 5.867 0.726 -8.899 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 8.031 1.145 -9.798 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 8.172 0.776 -8.146 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 8.584 -0.386 -9.313 1.00 10.00 H new ATOM 60 N GLU A 5 9.076 -4.500 -11.819 1.00 10.00 N ATOM 61 CA GLU A 5 9.184 -4.889 -13.219 1.00 10.00 C ATOM 62 C GLU A 5 9.794 -6.266 -13.394 1.00 10.00 C ATOM 63 O GLU A 5 9.333 -7.067 -14.208 1.00 10.00 O ATOM 64 CB GLU A 5 9.911 -3.808 -14.028 1.00 10.00 C ATOM 65 CG GLU A 5 9.093 -2.509 -14.088 1.00 10.00 C ATOM 66 CD GLU A 5 7.798 -2.688 -14.880 1.00 10.00 C ATOM 67 OE1 GLU A 5 7.869 -2.544 -16.119 1.00 10.00 O ATOM 68 OE2 GLU A 5 6.765 -2.987 -14.241 1.00 10.00 O ATOM 0 H GLU A 5 9.868 -3.945 -11.495 1.00 10.00 H new ATOM 0 HA GLU A 5 8.173 -4.969 -13.619 1.00 10.00 H new ATOM 0 HB2 GLU A 5 10.883 -3.607 -13.579 1.00 10.00 H new ATOM 0 HB3 GLU A 5 10.096 -4.171 -15.039 1.00 10.00 H new ATOM 0 HG2 GLU A 5 8.857 -2.181 -13.076 1.00 10.00 H new ATOM 0 HG3 GLU A 5 9.693 -1.723 -14.546 1.00 10.00 H new ATOM 75 N ILE A 6 10.821 -6.552 -12.608 1.00 10.00 N ATOM 76 CA ILE A 6 11.470 -7.860 -12.634 1.00 10.00 C ATOM 77 C ILE A 6 10.587 -8.881 -11.904 1.00 10.00 C ATOM 78 O ILE A 6 10.917 -9.357 -10.819 1.00 10.00 O ATOM 79 CB ILE A 6 12.925 -7.811 -12.130 1.00 10.00 C ATOM 80 CG1 ILE A 6 13.075 -7.180 -10.739 1.00 10.00 C ATOM 81 CG2 ILE A 6 13.804 -7.058 -13.140 1.00 10.00 C ATOM 82 CD1 ILE A 6 14.249 -7.785 -9.965 1.00 10.00 C ATOM 0 H ILE A 6 11.226 -5.895 -11.941 1.00 10.00 H new ATOM 0 HA ILE A 6 11.565 -8.190 -13.668 1.00 10.00 H new ATOM 0 HB ILE A 6 13.252 -8.847 -12.037 1.00 10.00 H new ATOM 0 HG12 ILE A 6 13.222 -6.105 -10.841 1.00 10.00 H new ATOM 0 HG13 ILE A 6 12.154 -7.323 -10.174 1.00 10.00 H new ATOM 0 HG21 ILE A 6 14.831 -7.028 -12.777 1.00 10.00 H new ATOM 0 HG22 ILE A 6 13.774 -7.571 -14.101 1.00 10.00 H new ATOM 0 HG23 ILE A 6 13.431 -6.041 -13.260 1.00 10.00 H new ATOM 0 HD11 ILE A 6 14.322 -7.312 -8.986 1.00 10.00 H new ATOM 0 HD12 ILE A 6 14.089 -8.856 -9.840 1.00 10.00 H new ATOM 0 HD13 ILE A 6 15.174 -7.619 -10.518 1.00 10.00 H new ATOM 94 N ARG A 7 9.447 -9.225 -12.506 1.00 10.00 N ATOM 95 CA ARG A 7 8.478 -10.173 -11.965 1.00 10.00 C ATOM 96 C ARG A 7 8.960 -11.617 -12.143 1.00 10.00 C ATOM 97 O ARG A 7 8.280 -12.452 -12.736 1.00 10.00 O ATOM 98 CB ARG A 7 7.097 -9.911 -12.585 1.00 10.00 C ATOM 99 CG ARG A 7 6.583 -8.536 -12.136 1.00 10.00 C ATOM 100 CD ARG A 7 5.196 -8.215 -12.700 1.00 10.00 C ATOM 101 NE ARG A 7 5.253 -7.843 -14.121 1.00 10.00 N ATOM 102 CZ ARG A 7 5.451 -6.598 -14.585 1.00 10.00 C ATOM 103 NH1 ARG A 7 5.745 -5.592 -13.754 1.00 10.00 N ATOM 104 NH2 ARG A 7 5.358 -6.362 -15.897 1.00 10.00 N ATOM 0 H ARG A 7 9.167 -8.840 -13.408 1.00 10.00 H new ATOM 0 HA ARG A 7 8.382 -10.025 -10.889 1.00 10.00 H new ATOM 0 HB2 ARG A 7 7.162 -9.949 -13.672 1.00 10.00 H new ATOM 0 HB3 ARG A 7 6.397 -10.689 -12.281 1.00 10.00 H new ATOM 0 HG2 ARG A 7 6.545 -8.504 -11.047 1.00 10.00 H new ATOM 0 HG3 ARG A 7 7.287 -7.767 -12.453 1.00 10.00 H new ATOM 0 HD2 ARG A 7 4.545 -9.081 -12.578 1.00 10.00 H new ATOM 0 HD3 ARG A 7 4.752 -7.399 -12.129 1.00 10.00 H new ATOM 0 HE ARG A 7 5.133 -8.588 -14.808 1.00 10.00 H new ATOM 0 HH11 ARG A 7 5.822 -5.764 -12.752 1.00 10.00 H new ATOM 0 HH12 ARG A 7 5.892 -4.652 -14.123 1.00 10.00 H new ATOM 0 HH21 ARG A 7 5.138 -7.124 -16.538 1.00 10.00 H new ATOM 0 HH22 ARG A 7 5.507 -5.420 -16.257 1.00 10.00 H new ATOM 118 N ILE A 8 10.135 -11.916 -11.587 1.00 10.00 N ATOM 119 CA ILE A 8 10.700 -13.256 -11.558 1.00 10.00 C ATOM 120 C ILE A 8 9.938 -14.008 -10.452 1.00 10.00 C ATOM 121 O ILE A 8 9.738 -13.435 -9.379 1.00 10.00 O ATOM 122 CB ILE A 8 12.232 -13.191 -11.329 1.00 10.00 C ATOM 123 CG1 ILE A 8 12.825 -14.595 -11.095 1.00 10.00 C ATOM 124 CG2 ILE A 8 12.633 -12.170 -10.249 1.00 10.00 C ATOM 125 CD1 ILE A 8 14.352 -14.622 -10.969 1.00 10.00 C ATOM 0 H ILE A 8 10.727 -11.218 -11.138 1.00 10.00 H new ATOM 0 HA ILE A 8 10.583 -13.786 -12.503 1.00 10.00 H new ATOM 0 HB ILE A 8 12.679 -12.814 -12.249 1.00 10.00 H new ATOM 0 HG12 ILE A 8 12.390 -15.014 -10.188 1.00 10.00 H new ATOM 0 HG13 ILE A 8 12.529 -15.244 -11.919 1.00 10.00 H new ATOM 0 HG21 ILE A 8 13.717 -12.170 -10.133 1.00 10.00 H new ATOM 0 HG22 ILE A 8 12.299 -11.176 -10.546 1.00 10.00 H new ATOM 0 HG23 ILE A 8 12.167 -12.441 -9.302 1.00 10.00 H new ATOM 0 HD11 ILE A 8 14.686 -15.647 -10.806 1.00 10.00 H new ATOM 0 HD12 ILE A 8 14.800 -14.236 -11.885 1.00 10.00 H new ATOM 0 HD13 ILE A 8 14.659 -14.002 -10.126 1.00 10.00 H new ATOM 137 N PRO A 9 9.484 -15.256 -10.668 1.00 10.00 N ATOM 138 CA PRO A 9 8.725 -16.014 -9.677 1.00 10.00 C ATOM 139 C PRO A 9 9.595 -16.505 -8.506 1.00 10.00 C ATOM 140 O PRO A 9 9.572 -17.683 -8.153 1.00 10.00 O ATOM 141 CB PRO A 9 8.082 -17.160 -10.468 1.00 10.00 C ATOM 142 CG PRO A 9 9.108 -17.427 -11.566 1.00 10.00 C ATOM 143 CD PRO A 9 9.604 -16.021 -11.901 1.00 10.00 C ATOM 0 HA PRO A 9 7.973 -15.396 -9.187 1.00 10.00 H new ATOM 0 HB2 PRO A 9 7.917 -18.039 -9.845 1.00 10.00 H new ATOM 0 HB3 PRO A 9 7.114 -16.875 -10.879 1.00 10.00 H new ATOM 0 HG2 PRO A 9 9.916 -18.071 -11.219 1.00 10.00 H new ATOM 0 HG3 PRO A 9 8.660 -17.916 -12.431 1.00 10.00 H new ATOM 0 HD2 PRO A 9 10.637 -16.043 -12.249 1.00 10.00 H new ATOM 0 HD3 PRO A 9 9.008 -15.575 -12.698 1.00 10.00 H new ATOM 151 N THR A 10 10.359 -15.613 -7.872 1.00 10.00 N ATOM 152 CA THR A 10 11.216 -15.939 -6.748 1.00 10.00 C ATOM 153 C THR A 10 10.320 -16.038 -5.510 1.00 10.00 C ATOM 154 O THR A 10 10.270 -15.130 -4.681 1.00 10.00 O ATOM 155 CB THR A 10 12.316 -14.863 -6.614 1.00 10.00 C ATOM 156 OG1 THR A 10 12.443 -14.112 -7.801 1.00 10.00 O ATOM 157 CG2 THR A 10 13.670 -15.516 -6.343 1.00 10.00 C ATOM 0 H THR A 10 10.395 -14.628 -8.136 1.00 10.00 H new ATOM 0 HA THR A 10 11.731 -16.890 -6.882 1.00 10.00 H new ATOM 0 HB THR A 10 12.026 -14.213 -5.789 1.00 10.00 H new ATOM 0 HG1 THR A 10 12.123 -13.199 -7.646 1.00 10.00 H new ATOM 0 HG21 THR A 10 14.434 -14.744 -6.251 1.00 10.00 H new ATOM 0 HG22 THR A 10 13.619 -16.088 -5.417 1.00 10.00 H new ATOM 0 HG23 THR A 10 13.924 -16.182 -7.167 1.00 10.00 H new ATOM 165 N LEU A 11 9.544 -17.115 -5.411 1.00 10.00 N ATOM 166 CA LEU A 11 8.611 -17.282 -4.307 1.00 10.00 C ATOM 167 C LEU A 11 9.369 -17.515 -3.000 1.00 10.00 C ATOM 168 O LEU A 11 10.166 -18.446 -2.906 1.00 10.00 O ATOM 169 CB LEU A 11 7.596 -18.392 -4.600 1.00 10.00 C ATOM 170 CG LEU A 11 6.846 -18.178 -5.926 1.00 10.00 C ATOM 171 CD1 LEU A 11 5.650 -19.132 -5.995 1.00 10.00 C ATOM 172 CD2 LEU A 11 6.379 -16.728 -6.114 1.00 10.00 C ATOM 0 H LEU A 11 9.545 -17.883 -6.083 1.00 10.00 H new ATOM 0 HA LEU A 11 8.038 -16.362 -4.192 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.112 -19.352 -4.630 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.875 -18.444 -3.784 1.00 10.00 H new ATOM 0 HG LEU A 11 7.543 -18.391 -6.736 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.118 -18.981 -6.934 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.002 -20.162 -5.939 1.00 10.00 H new ATOM 0 HD13 LEU A 11 4.977 -18.933 -5.161 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.856 -16.635 -7.066 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.706 -16.454 -5.302 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.243 -16.064 -6.108 1.00 10.00 H new ATOM 184 N GLU A 12 9.117 -16.666 -2.001 1.00 10.00 N ATOM 185 CA GLU A 12 9.726 -16.719 -0.682 1.00 10.00 C ATOM 186 C GLU A 12 8.613 -16.865 0.351 1.00 10.00 C ATOM 187 O GLU A 12 7.522 -16.328 0.166 1.00 10.00 O ATOM 188 CB GLU A 12 10.545 -15.447 -0.430 1.00 10.00 C ATOM 189 CG GLU A 12 11.751 -15.373 -1.379 1.00 10.00 C ATOM 190 CD GLU A 12 12.619 -14.138 -1.149 1.00 10.00 C ATOM 191 OE1 GLU A 12 12.188 -13.258 -0.372 1.00 10.00 O ATOM 192 OE2 GLU A 12 13.702 -14.093 -1.769 1.00 10.00 O ATOM 0 H GLU A 12 8.456 -15.895 -2.099 1.00 10.00 H new ATOM 0 HA GLU A 12 10.404 -17.569 -0.609 1.00 10.00 H new ATOM 0 HB2 GLU A 12 9.913 -14.570 -0.569 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.890 -15.431 0.604 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.361 -16.267 -1.252 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.396 -15.373 -2.409 1.00 10.00 H new ATOM 199 N GLU A 13 8.886 -17.601 1.430 1.00 10.00 N ATOM 200 CA GLU A 13 7.922 -17.856 2.486 1.00 10.00 C ATOM 201 C GLU A 13 7.702 -16.588 3.317 1.00 10.00 C ATOM 202 O GLU A 13 8.668 -15.959 3.753 1.00 10.00 O ATOM 203 CB GLU A 13 8.440 -19.012 3.357 1.00 10.00 C ATOM 204 CG GLU A 13 7.343 -19.621 4.239 1.00 10.00 C ATOM 205 CD GLU A 13 6.359 -20.451 3.414 1.00 10.00 C ATOM 206 OE1 GLU A 13 5.384 -19.852 2.911 1.00 10.00 O ATOM 207 OE2 GLU A 13 6.612 -21.668 3.292 1.00 10.00 O ATOM 0 H GLU A 13 9.793 -18.038 1.591 1.00 10.00 H new ATOM 0 HA GLU A 13 6.960 -18.138 2.057 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.857 -19.788 2.715 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.251 -18.651 3.989 1.00 10.00 H new ATOM 0 HG2 GLU A 13 7.797 -20.249 5.005 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.806 -18.825 4.756 1.00 10.00 H new ATOM 214 N CYS A 14 6.445 -16.213 3.568 1.00 10.00 N ATOM 215 CA CYS A 14 6.144 -15.040 4.371 1.00 10.00 C ATOM 216 C CYS A 14 6.330 -15.384 5.852 1.00 10.00 C ATOM 217 O CYS A 14 5.384 -15.752 6.554 1.00 10.00 O ATOM 218 CB CYS A 14 4.733 -14.538 4.063 1.00 10.00 C ATOM 219 SG CYS A 14 4.308 -12.936 4.792 1.00 10.00 S ATOM 0 H CYS A 14 5.623 -16.710 3.223 1.00 10.00 H new ATOM 0 HA CYS A 14 6.829 -14.229 4.126 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.617 -14.469 2.981 1.00 10.00 H new ATOM 0 HB3 CYS A 14 4.016 -15.280 4.414 1.00 10.00 H new ATOM 224 N ASP A 15 7.571 -15.248 6.325 1.00 10.00 N ATOM 225 CA ASP A 15 7.978 -15.483 7.709 1.00 10.00 C ATOM 226 C ASP A 15 7.036 -14.783 8.695 1.00 10.00 C ATOM 227 O ASP A 15 6.737 -15.323 9.761 1.00 10.00 O ATOM 228 CB ASP A 15 9.429 -15.025 7.919 1.00 10.00 C ATOM 229 CG ASP A 15 9.577 -13.503 7.896 1.00 10.00 C ATOM 230 OD1 ASP A 15 9.183 -12.911 6.868 1.00 10.00 O ATOM 231 OD2 ASP A 15 10.052 -12.961 8.916 1.00 10.00 O ATOM 0 H ASP A 15 8.348 -14.960 5.730 1.00 10.00 H new ATOM 0 HA ASP A 15 7.918 -16.554 7.904 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.792 -15.407 8.873 1.00 10.00 H new ATOM 0 HB3 ASP A 15 10.059 -15.459 7.142 1.00 10.00 H new ATOM 236 N VAL A 16 6.547 -13.598 8.319 1.00 10.00 N ATOM 237 CA VAL A 16 5.605 -12.800 9.091 1.00 10.00 C ATOM 238 C VAL A 16 4.402 -13.648 9.530 1.00 10.00 C ATOM 239 O VAL A 16 4.032 -13.609 10.699 1.00 10.00 O ATOM 240 CB VAL A 16 5.199 -11.560 8.271 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.151 -10.707 8.988 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.421 -10.678 7.981 1.00 10.00 C ATOM 0 H VAL A 16 6.809 -13.157 7.437 1.00 10.00 H new ATOM 0 HA VAL A 16 6.078 -12.451 10.009 1.00 10.00 H new ATOM 0 HB VAL A 16 4.770 -11.935 7.342 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.898 -9.846 8.370 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.255 -11.303 9.164 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.552 -10.364 9.942 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.112 -9.808 7.401 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.864 -10.349 8.921 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.156 -11.250 7.414 1.00 10.00 H new ATOM 252 N CYS A 17 3.827 -14.451 8.624 1.00 10.00 N ATOM 253 CA CYS A 17 2.727 -15.364 8.954 1.00 10.00 C ATOM 254 C CYS A 17 3.226 -16.796 9.091 1.00 10.00 C ATOM 255 O CYS A 17 2.446 -17.750 9.040 1.00 10.00 O ATOM 256 CB CYS A 17 1.630 -15.292 7.901 1.00 10.00 C ATOM 257 SG CYS A 17 2.121 -15.625 6.208 1.00 10.00 S ATOM 0 H CYS A 17 4.111 -14.485 7.645 1.00 10.00 H new ATOM 0 HA CYS A 17 2.313 -15.050 9.912 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.848 -16.000 8.175 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.187 -14.297 7.938 1.00 10.00 H new ATOM 262 N HIS A 18 4.538 -16.957 9.253 1.00 10.00 N ATOM 263 CA HIS A 18 5.185 -18.234 9.448 1.00 10.00 C ATOM 264 C HIS A 18 4.814 -19.168 8.291 1.00 10.00 C ATOM 265 O HIS A 18 4.650 -20.371 8.470 1.00 10.00 O ATOM 266 CB HIS A 18 4.809 -18.752 10.848 1.00 10.00 C ATOM 267 CG HIS A 18 4.663 -17.661 11.898 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.390 -16.488 11.963 1.00 10.00 N ATOM 269 CD2 HIS A 18 3.604 -17.525 12.760 1.00 10.00 C ATOM 270 CE1 HIS A 18 4.787 -15.683 12.855 1.00 10.00 C ATOM 271 NE2 HIS A 18 3.691 -16.266 13.367 1.00 10.00 N ATOM 0 H HIS A 18 5.191 -16.174 9.251 1.00 10.00 H new ATOM 0 HA HIS A 18 6.272 -18.162 9.425 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.871 -19.303 10.780 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.570 -19.459 11.178 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.232 -16.272 11.430 1.00 10.00 H new ATOM 0 HD2 HIS A 18 2.835 -18.262 12.939 1.00 10.00 H new ATOM 0 HE1 HIS A 18 5.138 -14.698 13.124 1.00 10.00 H new ATOM 279 N GLY A 19 4.658 -18.585 7.095 1.00 10.00 N ATOM 280 CA GLY A 19 4.295 -19.303 5.887 1.00 10.00 C ATOM 281 C GLY A 19 2.845 -19.786 5.816 1.00 10.00 C ATOM 282 O GLY A 19 2.456 -20.325 4.784 1.00 10.00 O ATOM 0 H GLY A 19 4.785 -17.584 6.948 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.486 -18.657 5.030 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.952 -20.167 5.788 1.00 10.00 H new ATOM 286 N SER A 20 2.023 -19.614 6.861 1.00 10.00 N ATOM 287 CA SER A 20 0.647 -20.099 6.803 1.00 10.00 C ATOM 288 C SER A 20 -0.187 -19.237 5.857 1.00 10.00 C ATOM 289 O SER A 20 -0.776 -19.713 4.892 1.00 10.00 O ATOM 290 CB SER A 20 0.010 -20.114 8.203 1.00 10.00 C ATOM 291 OG SER A 20 -0.042 -18.817 8.778 1.00 10.00 O ATOM 0 H SER A 20 2.283 -19.154 7.734 1.00 10.00 H new ATOM 0 HA SER A 20 0.667 -21.120 6.422 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.999 -20.522 8.138 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.581 -20.776 8.854 1.00 10.00 H new ATOM 0 HG SER A 20 0.869 -18.485 8.920 1.00 10.00 H new ATOM 297 N GLY A 21 -0.271 -17.961 6.223 1.00 10.00 N ATOM 298 CA GLY A 21 -1.093 -16.938 5.610 1.00 10.00 C ATOM 299 C GLY A 21 -1.920 -16.239 6.694 1.00 10.00 C ATOM 300 O GLY A 21 -2.498 -15.189 6.429 1.00 10.00 O ATOM 0 H GLY A 21 0.271 -17.597 7.007 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.466 -16.214 5.091 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -1.751 -17.383 4.864 1.00 10.00 H new ATOM 304 N ALA A 22 -1.976 -16.790 7.914 1.00 10.00 N ATOM 305 CA ALA A 22 -2.705 -16.189 9.023 1.00 10.00 C ATOM 306 C ALA A 22 -1.843 -15.095 9.660 1.00 10.00 C ATOM 307 O ALA A 22 -0.628 -15.254 9.738 1.00 10.00 O ATOM 308 CB ALA A 22 -3.057 -17.280 10.035 1.00 10.00 C ATOM 0 H ALA A 22 -1.514 -17.667 8.153 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.630 -15.732 8.672 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.603 -16.840 10.869 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.677 -18.036 9.554 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.142 -17.743 10.404 1.00 10.00 H new ATOM 314 N LYS A 23 -2.430 -13.971 10.084 1.00 10.00 N ATOM 315 CA LYS A 23 -1.653 -12.875 10.668 1.00 10.00 C ATOM 316 C LYS A 23 -0.714 -13.356 11.805 1.00 10.00 C ATOM 317 O LYS A 23 -1.008 -14.362 12.456 1.00 10.00 O ATOM 318 CB LYS A 23 -2.580 -11.721 11.088 1.00 10.00 C ATOM 319 CG LYS A 23 -3.614 -12.152 12.130 1.00 10.00 C ATOM 320 CD LYS A 23 -4.273 -10.979 12.868 1.00 10.00 C ATOM 321 CE LYS A 23 -3.304 -10.156 13.733 1.00 10.00 C ATOM 322 NZ LYS A 23 -2.441 -11.004 14.579 1.00 10.00 N ATOM 0 H LYS A 23 -3.434 -13.798 10.034 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.986 -12.485 9.900 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.980 -10.905 11.492 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.094 -11.334 10.209 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.388 -12.741 11.638 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -3.132 -12.804 12.859 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.739 -10.319 12.136 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.071 -11.365 13.503 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.680 -9.539 13.087 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.875 -9.478 14.367 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.282 -10.535 15.493 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.904 -11.922 14.737 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.528 -11.154 14.104 1.00 10.00 H new ATOM 336 N PRO A 24 0.417 -12.660 12.044 1.00 10.00 N ATOM 337 CA PRO A 24 1.422 -13.011 13.040 1.00 10.00 C ATOM 338 C PRO A 24 0.905 -13.676 14.315 1.00 10.00 C ATOM 339 O PRO A 24 -0.027 -13.177 14.951 1.00 10.00 O ATOM 340 CB PRO A 24 2.144 -11.703 13.356 1.00 10.00 C ATOM 341 CG PRO A 24 2.175 -11.032 11.987 1.00 10.00 C ATOM 342 CD PRO A 24 0.851 -11.455 11.344 1.00 10.00 C ATOM 0 HA PRO A 24 2.069 -13.783 12.623 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.607 -11.106 14.093 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.145 -11.873 13.752 1.00 10.00 H new ATOM 0 HG2 PRO A 24 2.249 -9.948 12.074 1.00 10.00 H new ATOM 0 HG3 PRO A 24 3.030 -11.364 11.398 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.106 -10.664 11.434 1.00 10.00 H new ATOM 0 HD3 PRO A 24 0.982 -11.650 10.280 1.00 10.00 H new ATOM 350 N GLY A 25 1.525 -14.804 14.679 1.00 10.00 N ATOM 351 CA GLY A 25 1.230 -15.571 15.880 1.00 10.00 C ATOM 352 C GLY A 25 -0.232 -15.986 16.046 1.00 10.00 C ATOM 353 O GLY A 25 -0.604 -16.428 17.131 1.00 10.00 O ATOM 0 H GLY A 25 2.272 -15.217 14.121 1.00 10.00 H new ATOM 0 HA2 GLY A 25 1.848 -16.469 15.879 1.00 10.00 H new ATOM 0 HA3 GLY A 25 1.525 -14.982 16.749 1.00 10.00 H new ATOM 357 N THR A 26 -1.061 -15.861 15.005 1.00 10.00 N ATOM 358 CA THR A 26 -2.469 -16.211 15.062 1.00 10.00 C ATOM 359 C THR A 26 -2.670 -17.450 14.202 1.00 10.00 C ATOM 360 O THR A 26 -2.279 -17.482 13.038 1.00 10.00 O ATOM 361 CB THR A 26 -3.298 -15.019 14.578 1.00 10.00 C ATOM 362 OG1 THR A 26 -2.824 -13.824 15.180 1.00 10.00 O ATOM 363 CG2 THR A 26 -4.776 -15.191 14.937 1.00 10.00 C ATOM 0 H THR A 26 -0.763 -15.510 14.095 1.00 10.00 H new ATOM 0 HA THR A 26 -2.795 -16.438 16.077 1.00 10.00 H new ATOM 0 HB THR A 26 -3.198 -14.964 13.494 1.00 10.00 H new ATOM 0 HG1 THR A 26 -1.903 -13.655 14.891 1.00 10.00 H new ATOM 0 HG21 THR A 26 -5.340 -14.329 14.580 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.162 -16.096 14.468 1.00 10.00 H new ATOM 0 HG23 THR A 26 -4.881 -15.271 16.019 1.00 10.00 H new ATOM 371 N GLN A 27 -3.250 -18.491 14.789 1.00 10.00 N ATOM 372 CA GLN A 27 -3.482 -19.750 14.110 1.00 10.00 C ATOM 373 C GLN A 27 -4.507 -19.593 12.980 1.00 10.00 C ATOM 374 O GLN A 27 -5.480 -18.849 13.136 1.00 10.00 O ATOM 375 CB GLN A 27 -3.933 -20.802 15.139 1.00 10.00 C ATOM 376 CG GLN A 27 -5.384 -20.656 15.637 1.00 10.00 C ATOM 377 CD GLN A 27 -5.704 -19.308 16.281 1.00 10.00 C ATOM 378 OE1 GLN A 27 -4.888 -18.753 17.011 1.00 10.00 O ATOM 379 NE2 GLN A 27 -6.878 -18.753 16.004 1.00 10.00 N ATOM 0 H GLN A 27 -3.573 -18.480 15.756 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.554 -20.083 13.646 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.816 -21.792 14.698 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -3.265 -20.755 15.999 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -6.060 -20.811 14.796 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.587 -21.446 16.360 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -7.539 -19.235 15.394 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -7.119 -17.845 16.401 1.00 10.00 H new ATOM 388 N PRO A 28 -4.343 -20.315 11.861 1.00 10.00 N ATOM 389 CA PRO A 28 -5.354 -20.354 10.827 1.00 10.00 C ATOM 390 C PRO A 28 -6.504 -21.214 11.363 1.00 10.00 C ATOM 391 O PRO A 28 -6.340 -21.933 12.349 1.00 10.00 O ATOM 392 CB PRO A 28 -4.679 -20.996 9.626 1.00 10.00 C ATOM 393 CG PRO A 28 -3.703 -21.975 10.283 1.00 10.00 C ATOM 394 CD PRO A 28 -3.256 -21.227 11.542 1.00 10.00 C ATOM 0 HA PRO A 28 -5.754 -19.379 10.548 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.395 -21.507 8.982 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.163 -20.261 9.009 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.185 -22.922 10.526 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.861 -22.204 9.630 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -3.070 -21.919 12.364 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.327 -20.684 11.367 1.00 10.00 H new ATOM 402 N GLN A 29 -7.677 -21.149 10.733 1.00 10.00 N ATOM 403 CA GLN A 29 -8.847 -21.858 11.233 1.00 10.00 C ATOM 404 C GLN A 29 -8.992 -23.192 10.502 1.00 10.00 C ATOM 405 O GLN A 29 -9.193 -23.211 9.292 1.00 10.00 O ATOM 406 CB GLN A 29 -10.062 -20.927 11.092 1.00 10.00 C ATOM 407 CG GLN A 29 -10.211 -19.952 12.280 1.00 10.00 C ATOM 408 CD GLN A 29 -8.896 -19.475 12.909 1.00 10.00 C ATOM 409 OE1 GLN A 29 -8.572 -19.862 14.028 1.00 10.00 O ATOM 410 NE2 GLN A 29 -8.133 -18.623 12.231 1.00 10.00 N ATOM 0 H GLN A 29 -7.839 -20.614 9.880 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.752 -22.112 12.289 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -9.971 -20.355 10.168 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.967 -21.529 11.006 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.771 -19.079 11.944 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.809 -20.436 13.052 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -8.417 -18.312 11.302 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.263 -18.281 12.640 1.00 10.00 H new ATOM 419 N THR A 30 -8.867 -24.313 11.219 1.00 10.00 N ATOM 420 CA THR A 30 -8.985 -25.657 10.672 1.00 10.00 C ATOM 421 C THR A 30 -10.241 -25.774 9.809 1.00 10.00 C ATOM 422 O THR A 30 -11.334 -25.498 10.296 1.00 10.00 O ATOM 423 CB THR A 30 -9.072 -26.637 11.849 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.150 -26.237 12.846 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.778 -28.074 11.414 1.00 10.00 C ATOM 0 H THR A 30 -8.676 -24.304 12.221 1.00 10.00 H new ATOM 0 HA THR A 30 -8.122 -25.882 10.046 1.00 10.00 H new ATOM 0 HB THR A 30 -10.089 -26.617 12.241 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.199 -26.856 13.604 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.850 -28.737 12.276 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.502 -28.381 10.659 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.773 -28.129 10.996 1.00 10.00 H new ATOM 433 N CYS A 31 -10.109 -26.180 8.545 1.00 10.00 N ATOM 434 CA CYS A 31 -11.265 -26.315 7.677 1.00 10.00 C ATOM 435 C CYS A 31 -12.168 -27.432 8.204 1.00 10.00 C ATOM 436 O CYS A 31 -11.745 -28.590 8.210 1.00 10.00 O ATOM 437 CB CYS A 31 -10.814 -26.629 6.254 1.00 10.00 C ATOM 438 SG CYS A 31 -12.181 -26.648 5.069 1.00 10.00 S ATOM 0 H CYS A 31 -9.218 -26.418 8.108 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.822 -25.378 7.667 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.078 -25.889 5.940 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.316 -27.599 6.242 1.00 10.00 H new ATOM 443 N PRO A 32 -13.404 -27.139 8.635 1.00 10.00 N ATOM 444 CA PRO A 32 -14.281 -28.165 9.161 1.00 10.00 C ATOM 445 C PRO A 32 -14.764 -29.074 8.030 1.00 10.00 C ATOM 446 O PRO A 32 -14.896 -30.278 8.232 1.00 10.00 O ATOM 447 CB PRO A 32 -15.405 -27.404 9.863 1.00 10.00 C ATOM 448 CG PRO A 32 -15.513 -26.110 9.058 1.00 10.00 C ATOM 449 CD PRO A 32 -14.061 -25.838 8.656 1.00 10.00 C ATOM 0 HA PRO A 32 -13.792 -28.836 9.867 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.340 -27.965 9.849 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.166 -27.208 10.908 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -16.158 -26.228 8.188 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.927 -25.296 9.654 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -14.009 -25.358 7.679 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.578 -25.167 9.366 1.00 10.00 H new ATOM 457 N THR A 33 -14.993 -28.513 6.836 1.00 10.00 N ATOM 458 CA THR A 33 -15.453 -29.213 5.644 1.00 10.00 C ATOM 459 C THR A 33 -14.706 -30.527 5.390 1.00 10.00 C ATOM 460 O THR A 33 -15.325 -31.510 4.990 1.00 10.00 O ATOM 461 CB THR A 33 -15.326 -28.253 4.452 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.609 -26.931 4.885 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.273 -28.626 3.309 1.00 10.00 C ATOM 0 H THR A 33 -14.855 -27.515 6.674 1.00 10.00 H new ATOM 0 HA THR A 33 -16.493 -29.505 5.789 1.00 10.00 H new ATOM 0 HB THR A 33 -14.306 -28.324 4.074 1.00 10.00 H new ATOM 0 HG1 THR A 33 -15.121 -26.292 4.325 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.148 -27.920 2.488 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.043 -29.633 2.960 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.303 -28.592 3.664 1.00 10.00 H new ATOM 471 N CYS A 34 -13.388 -30.548 5.627 1.00 10.00 N ATOM 472 CA CYS A 34 -12.559 -31.742 5.465 1.00 10.00 C ATOM 473 C CYS A 34 -11.911 -32.151 6.791 1.00 10.00 C ATOM 474 O CYS A 34 -10.944 -32.909 6.788 1.00 10.00 O ATOM 475 CB CYS A 34 -11.494 -31.489 4.391 1.00 10.00 C ATOM 476 SG CYS A 34 -10.516 -29.986 4.618 1.00 10.00 S ATOM 0 H CYS A 34 -12.866 -29.729 5.939 1.00 10.00 H new ATOM 0 HA CYS A 34 -13.195 -32.567 5.146 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.817 -32.343 4.364 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.985 -31.441 3.419 1.00 10.00 H new ATOM 481 N HIS A 35 -12.418 -31.649 7.923 1.00 10.00 N ATOM 482 CA HIS A 35 -11.883 -31.928 9.252 1.00 10.00 C ATOM 483 C HIS A 35 -10.358 -31.745 9.259 1.00 10.00 C ATOM 484 O HIS A 35 -9.621 -32.623 9.701 1.00 10.00 O ATOM 485 CB HIS A 35 -12.279 -33.345 9.709 1.00 10.00 C ATOM 486 CG HIS A 35 -13.758 -33.650 9.749 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.797 -32.807 9.424 1.00 10.00 N ATOM 488 CD2 HIS A 35 -14.308 -34.849 10.118 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.944 -33.487 9.591 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.698 -34.737 10.016 1.00 10.00 N ATOM 0 H HIS A 35 -13.226 -31.027 7.937 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.312 -31.219 9.960 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.800 -34.064 9.045 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.869 -33.509 10.706 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.711 -31.840 9.112 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.763 -35.727 10.433 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.929 -33.083 9.408 1.00 10.00 H new ATOM 498 N GLY A 36 -9.864 -30.623 8.730 1.00 10.00 N ATOM 499 CA GLY A 36 -8.434 -30.347 8.651 1.00 10.00 C ATOM 500 C GLY A 36 -7.729 -31.119 7.529 1.00 10.00 C ATOM 501 O GLY A 36 -6.944 -30.528 6.797 1.00 10.00 O ATOM 0 H GLY A 36 -10.448 -29.881 8.345 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.285 -29.278 8.497 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.969 -30.599 9.604 1.00 10.00 H new ATOM 505 N SER A 37 -7.988 -32.425 7.404 1.00 10.00 N ATOM 506 CA SER A 37 -7.422 -33.390 6.459 1.00 10.00 C ATOM 507 C SER A 37 -6.988 -32.836 5.087 1.00 10.00 C ATOM 508 O SER A 37 -5.936 -33.219 4.575 1.00 10.00 O ATOM 509 CB SER A 37 -8.408 -34.556 6.318 1.00 10.00 C ATOM 510 OG SER A 37 -9.093 -34.773 7.539 1.00 10.00 O ATOM 0 H SER A 37 -8.664 -32.874 8.022 1.00 10.00 H new ATOM 0 HA SER A 37 -6.474 -33.717 6.886 1.00 10.00 H new ATOM 0 HB2 SER A 37 -9.124 -34.341 5.525 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.873 -35.460 6.028 1.00 10.00 H new ATOM 0 HG SER A 37 -9.924 -34.254 7.545 1.00 10.00 H new ATOM 516 N GLY A 38 -7.778 -31.929 4.502 1.00 10.00 N ATOM 517 CA GLY A 38 -7.456 -31.221 3.261 1.00 10.00 C ATOM 518 C GLY A 38 -8.148 -31.741 1.998 1.00 10.00 C ATOM 519 O GLY A 38 -7.939 -31.187 0.917 1.00 10.00 O ATOM 0 H GLY A 38 -8.682 -31.661 4.890 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.714 -30.170 3.387 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.378 -31.268 3.107 1.00 10.00 H new ATOM 523 N GLN A 39 -8.982 -32.777 2.102 1.00 10.00 N ATOM 524 CA GLN A 39 -9.667 -33.373 0.963 1.00 10.00 C ATOM 525 C GLN A 39 -11.070 -33.802 1.377 1.00 10.00 C ATOM 526 O GLN A 39 -11.314 -34.083 2.547 1.00 10.00 O ATOM 527 CB GLN A 39 -8.824 -34.490 0.313 1.00 10.00 C ATOM 528 CG GLN A 39 -8.442 -35.671 1.220 1.00 10.00 C ATOM 529 CD GLN A 39 -7.645 -35.242 2.443 1.00 10.00 C ATOM 530 OE1 GLN A 39 -8.121 -35.371 3.562 1.00 10.00 O ATOM 531 NE2 GLN A 39 -6.454 -34.681 2.255 1.00 10.00 N ATOM 0 H GLN A 39 -9.200 -33.228 2.991 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.787 -32.630 0.175 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -9.375 -34.880 -0.543 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.907 -34.045 -0.074 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -9.348 -36.182 1.544 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.858 -36.390 0.646 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -6.079 -34.585 1.311 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -5.916 -34.347 3.054 1.00 10.00 H new ATOM 540 N VAL A 40 -11.985 -33.806 0.410 1.00 10.00 N ATOM 541 CA VAL A 40 -13.395 -34.122 0.572 1.00 10.00 C ATOM 542 C VAL A 40 -13.683 -35.414 -0.185 1.00 10.00 C ATOM 543 O VAL A 40 -13.246 -35.548 -1.325 1.00 10.00 O ATOM 544 CB VAL A 40 -14.244 -32.961 0.026 1.00 10.00 C ATOM 545 CG1 VAL A 40 -14.174 -31.755 0.970 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.804 -32.527 -1.384 1.00 10.00 C ATOM 0 H VAL A 40 -11.747 -33.577 -0.555 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.645 -34.258 1.624 1.00 10.00 H new ATOM 0 HB VAL A 40 -15.269 -33.325 -0.038 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.780 -30.943 0.568 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.552 -32.039 1.952 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.139 -31.424 1.062 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.434 -31.705 -1.725 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.764 -32.200 -1.356 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.902 -33.368 -2.071 1.00 10.00 H new ATOM 556 N GLN A 41 -14.399 -36.354 0.438 1.00 10.00 N ATOM 557 CA GLN A 41 -14.740 -37.647 -0.139 1.00 10.00 C ATOM 558 C GLN A 41 -16.228 -37.663 -0.483 1.00 10.00 C ATOM 559 O GLN A 41 -17.068 -37.995 0.351 1.00 10.00 O ATOM 560 CB GLN A 41 -14.293 -38.741 0.830 1.00 10.00 C ATOM 561 CG GLN A 41 -14.433 -40.159 0.256 1.00 10.00 C ATOM 562 CD GLN A 41 -13.700 -41.179 1.125 1.00 10.00 C ATOM 563 OE1 GLN A 41 -13.609 -41.027 2.338 1.00 10.00 O ATOM 564 NE2 GLN A 41 -13.155 -42.229 0.519 1.00 10.00 N ATOM 0 H GLN A 41 -14.765 -36.229 1.382 1.00 10.00 H new ATOM 0 HA GLN A 41 -14.218 -37.835 -1.077 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -13.252 -38.569 1.105 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -14.881 -38.668 1.745 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -15.488 -40.425 0.189 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -14.033 -40.186 -0.757 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -13.242 -42.337 -0.492 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -12.650 -42.927 1.065 1.00 10.00 H new ATOM 573 N MET A 42 -16.564 -37.270 -1.714 1.00 10.00 N ATOM 574 CA MET A 42 -17.945 -37.128 -2.147 1.00 10.00 C ATOM 575 C MET A 42 -18.580 -38.457 -2.567 1.00 10.00 C ATOM 576 O MET A 42 -19.094 -38.570 -3.680 1.00 10.00 O ATOM 577 CB MET A 42 -18.009 -36.081 -3.271 1.00 10.00 C ATOM 578 CG MET A 42 -17.395 -34.734 -2.862 1.00 10.00 C ATOM 579 SD MET A 42 -18.005 -33.962 -1.339 1.00 10.00 S ATOM 580 CE MET A 42 -19.751 -33.739 -1.745 1.00 10.00 C ATOM 0 H MET A 42 -15.880 -37.042 -2.436 1.00 10.00 H new ATOM 0 HA MET A 42 -18.537 -36.787 -1.298 1.00 10.00 H new ATOM 0 HB2 MET A 42 -17.486 -36.463 -4.148 1.00 10.00 H new ATOM 0 HB3 MET A 42 -19.049 -35.929 -3.561 1.00 10.00 H new ATOM 0 HG2 MET A 42 -16.319 -34.872 -2.761 1.00 10.00 H new ATOM 0 HG3 MET A 42 -17.551 -34.031 -3.681 1.00 10.00 H new ATOM 0 HE1 MET A 42 -20.260 -33.257 -0.910 1.00 10.00 H new ATOM 0 HE2 MET A 42 -19.841 -33.115 -2.634 1.00 10.00 H new ATOM 0 HE3 MET A 42 -20.207 -34.710 -1.936 1.00 10.00 H new ATOM 590 N ARG A 43 -18.595 -39.431 -1.650 1.00 10.00 N ATOM 591 CA ARG A 43 -19.275 -40.722 -1.746 1.00 10.00 C ATOM 592 C ARG A 43 -18.938 -41.551 -0.508 1.00 10.00 C ATOM 593 O ARG A 43 -18.011 -41.210 0.225 1.00 10.00 O ATOM 594 CB ARG A 43 -19.063 -41.451 -3.079 1.00 10.00 C ATOM 595 CG ARG A 43 -20.284 -41.281 -3.996 1.00 10.00 C ATOM 596 CD ARG A 43 -19.878 -41.446 -5.462 1.00 10.00 C ATOM 597 NE ARG A 43 -20.937 -40.995 -6.371 1.00 10.00 N ATOM 598 CZ ARG A 43 -21.201 -39.708 -6.651 1.00 10.00 C ATOM 599 NH1 ARG A 43 -20.572 -38.715 -6.008 1.00 10.00 N ATOM 600 NH2 ARG A 43 -22.111 -39.418 -7.588 1.00 10.00 N ATOM 0 H ARG A 43 -18.099 -39.329 -0.764 1.00 10.00 H new ATOM 0 HA ARG A 43 -20.351 -40.546 -1.755 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -18.174 -41.061 -3.574 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -18.886 -42.511 -2.895 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -21.046 -42.017 -3.738 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -20.727 -40.297 -3.843 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -18.967 -40.878 -5.654 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -19.649 -42.493 -5.661 1.00 10.00 H new ATOM 0 HE ARG A 43 -21.512 -41.707 -6.821 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -19.879 -38.930 -5.291 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -20.786 -37.744 -6.235 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -22.594 -40.170 -8.080 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -22.321 -38.445 -7.811 1.00 10.00 H new ATOM 614 N GLN A 44 -19.694 -42.624 -0.265 1.00 10.00 N ATOM 615 CA GLN A 44 -19.556 -43.474 0.906 1.00 10.00 C ATOM 616 C GLN A 44 -20.288 -44.788 0.648 1.00 10.00 C ATOM 617 O GLN A 44 -21.296 -44.777 -0.060 1.00 10.00 O ATOM 618 CB GLN A 44 -20.119 -42.749 2.141 1.00 10.00 C ATOM 619 CG GLN A 44 -21.650 -42.586 2.198 1.00 10.00 C ATOM 620 CD GLN A 44 -22.234 -41.744 1.063 1.00 10.00 C ATOM 621 OE1 GLN A 44 -22.323 -40.526 1.168 1.00 10.00 O ATOM 622 NE2 GLN A 44 -22.633 -42.377 -0.036 1.00 10.00 N ATOM 0 H GLN A 44 -20.435 -42.928 -0.896 1.00 10.00 H new ATOM 0 HA GLN A 44 -18.505 -43.692 1.098 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -19.799 -43.291 3.031 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -19.667 -41.758 2.192 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -22.110 -43.574 2.176 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -21.920 -42.129 3.150 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -22.549 -43.392 -0.099 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -23.024 -41.848 -0.816 1.00 10.00 H new ATOM 631 N GLY A 45 -19.785 -45.899 1.202 1.00 10.00 N ATOM 632 CA GLY A 45 -20.362 -47.233 1.037 1.00 10.00 C ATOM 633 C GLY A 45 -20.738 -47.506 -0.420 1.00 10.00 C ATOM 634 O GLY A 45 -21.790 -48.073 -0.706 1.00 10.00 O ATOM 0 H GLY A 45 -18.950 -45.892 1.788 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -19.648 -47.984 1.376 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -21.247 -47.328 1.666 1.00 10.00 H new ATOM 638 N PHE A 46 -19.871 -47.064 -1.333 1.00 10.00 N ATOM 639 CA PHE A 46 -20.018 -47.119 -2.775 1.00 10.00 C ATOM 640 C PHE A 46 -18.673 -46.611 -3.317 1.00 10.00 C ATOM 641 O PHE A 46 -17.655 -46.772 -2.640 1.00 10.00 O ATOM 642 CB PHE A 46 -21.242 -46.269 -3.191 1.00 10.00 C ATOM 643 CG PHE A 46 -21.587 -46.229 -4.670 1.00 10.00 C ATOM 644 CD1 PHE A 46 -21.578 -47.413 -5.433 1.00 10.00 C ATOM 645 CD2 PHE A 46 -21.778 -44.989 -5.310 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.717 -47.352 -6.830 1.00 10.00 C ATOM 647 CE2 PHE A 46 -21.924 -44.931 -6.707 1.00 10.00 C ATOM 648 CZ PHE A 46 -21.889 -46.111 -7.466 1.00 10.00 C ATOM 0 H PHE A 46 -18.990 -46.630 -1.058 1.00 10.00 H new ATOM 0 HA PHE A 46 -20.219 -48.112 -3.178 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -22.112 -46.642 -2.651 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -21.073 -45.246 -2.855 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -21.464 -48.369 -4.944 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -21.812 -44.081 -4.726 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -21.692 -48.259 -7.415 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -22.063 -43.978 -7.196 1.00 10.00 H new ATOM 0 HZ PHE A 46 -21.994 -46.065 -8.540 1.00 10.00 H new ATOM 658 N PHE A 47 -18.636 -45.966 -4.483 1.00 10.00 N ATOM 659 CA PHE A 47 -17.416 -45.438 -5.073 1.00 10.00 C ATOM 660 C PHE A 47 -17.015 -44.169 -4.322 1.00 10.00 C ATOM 661 O PHE A 47 -17.197 -43.067 -4.833 1.00 10.00 O ATOM 662 CB PHE A 47 -17.637 -45.168 -6.570 1.00 10.00 C ATOM 663 CG PHE A 47 -18.135 -46.326 -7.424 1.00 10.00 C ATOM 664 CD1 PHE A 47 -17.967 -47.669 -7.027 1.00 10.00 C ATOM 665 CD2 PHE A 47 -18.735 -46.044 -8.666 1.00 10.00 C ATOM 666 CE1 PHE A 47 -18.431 -48.713 -7.846 1.00 10.00 C ATOM 667 CE2 PHE A 47 -19.186 -47.089 -9.492 1.00 10.00 C ATOM 668 CZ PHE A 47 -19.040 -48.424 -9.079 1.00 10.00 C ATOM 0 H PHE A 47 -19.467 -45.796 -5.049 1.00 10.00 H new ATOM 0 HA PHE A 47 -16.605 -46.162 -4.987 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -18.351 -44.349 -6.663 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -16.695 -44.819 -6.992 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -17.480 -47.896 -6.090 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -18.850 -45.019 -8.986 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -18.319 -49.739 -7.527 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -19.645 -46.865 -10.444 1.00 10.00 H new ATOM 0 HZ PHE A 47 -19.395 -49.227 -9.708 1.00 10.00 H new ATOM 678 N ALA A 48 -16.506 -44.329 -3.099 1.00 10.00 N ATOM 679 CA ALA A 48 -16.096 -43.258 -2.198 1.00 10.00 C ATOM 680 C ALA A 48 -14.900 -42.472 -2.743 1.00 10.00 C ATOM 681 O ALA A 48 -13.800 -42.533 -2.193 1.00 10.00 O ATOM 682 CB ALA A 48 -15.837 -43.854 -0.812 1.00 10.00 C ATOM 0 H ALA A 48 -16.363 -45.254 -2.694 1.00 10.00 H new ATOM 0 HA ALA A 48 -16.899 -42.525 -2.116 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -15.529 -43.063 -0.128 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -16.749 -44.321 -0.440 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -15.048 -44.603 -0.880 1.00 10.00 H new ATOM 688 N VAL A 49 -15.117 -41.721 -3.822 1.00 10.00 N ATOM 689 CA VAL A 49 -14.106 -40.913 -4.464 1.00 10.00 C ATOM 690 C VAL A 49 -13.924 -39.616 -3.700 1.00 10.00 C ATOM 691 O VAL A 49 -14.796 -39.232 -2.921 1.00 10.00 O ATOM 692 CB VAL A 49 -14.486 -40.669 -5.924 1.00 10.00 C ATOM 693 CG1 VAL A 49 -14.286 -41.978 -6.685 1.00 10.00 C ATOM 694 CG2 VAL A 49 -15.892 -40.091 -6.140 1.00 10.00 C ATOM 0 H VAL A 49 -16.028 -41.663 -4.278 1.00 10.00 H new ATOM 0 HA VAL A 49 -13.151 -41.438 -4.456 1.00 10.00 H new ATOM 0 HB VAL A 49 -13.832 -39.887 -6.310 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -14.550 -41.834 -7.733 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -13.243 -42.285 -6.613 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -14.922 -42.751 -6.253 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -16.069 -39.953 -7.207 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -16.634 -40.779 -5.735 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -15.972 -39.130 -5.632 1.00 10.00 H new ATOM 704 N GLN A 50 -12.783 -38.958 -3.908 1.00 10.00 N ATOM 705 CA GLN A 50 -12.453 -37.750 -3.184 1.00 10.00 C ATOM 706 C GLN A 50 -11.655 -36.787 -4.048 1.00 10.00 C ATOM 707 O GLN A 50 -11.057 -37.205 -5.040 1.00 10.00 O ATOM 708 CB GLN A 50 -11.694 -38.165 -1.913 1.00 10.00 C ATOM 709 CG GLN A 50 -10.225 -38.491 -2.186 1.00 10.00 C ATOM 710 CD GLN A 50 -9.557 -39.126 -0.971 1.00 10.00 C ATOM 711 OE1 GLN A 50 -8.615 -38.574 -0.415 1.00 10.00 O ATOM 712 NE2 GLN A 50 -10.037 -40.289 -0.541 1.00 10.00 N ATOM 0 H GLN A 50 -12.073 -39.252 -4.579 1.00 10.00 H new ATOM 0 HA GLN A 50 -13.358 -37.210 -2.907 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -11.754 -37.361 -1.180 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -12.180 -39.035 -1.472 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -10.154 -39.169 -3.037 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -9.694 -37.579 -2.459 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -10.822 -40.726 -1.023 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -9.620 -40.744 0.271 1.00 10.00 H new ATOM 721 N GLN A 51 -11.633 -35.514 -3.651 1.00 10.00 N ATOM 722 CA GLN A 51 -10.886 -34.463 -4.324 1.00 10.00 C ATOM 723 C GLN A 51 -10.343 -33.500 -3.271 1.00 10.00 C ATOM 724 O GLN A 51 -10.823 -33.479 -2.137 1.00 10.00 O ATOM 725 CB GLN A 51 -11.755 -33.680 -5.329 1.00 10.00 C ATOM 726 CG GLN A 51 -12.862 -34.479 -6.035 1.00 10.00 C ATOM 727 CD GLN A 51 -14.111 -34.626 -5.169 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.510 -35.726 -4.799 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.748 -33.504 -4.839 1.00 10.00 N ATOM 0 H GLN A 51 -12.147 -35.183 -2.834 1.00 10.00 H new ATOM 0 HA GLN A 51 -10.077 -34.930 -4.886 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -12.217 -32.844 -4.804 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -11.100 -33.255 -6.090 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -13.126 -33.983 -6.969 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.484 -35.468 -6.295 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.394 -32.603 -5.161 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.590 -33.546 -4.265 1.00 10.00 H new ATOM 738 N THR A 52 -9.362 -32.686 -3.656 1.00 10.00 N ATOM 739 CA THR A 52 -8.782 -31.658 -2.813 1.00 10.00 C ATOM 740 C THR A 52 -9.887 -30.723 -2.315 1.00 10.00 C ATOM 741 O THR A 52 -10.763 -30.351 -3.094 1.00 10.00 O ATOM 742 CB THR A 52 -7.782 -30.879 -3.673 1.00 10.00 C ATOM 743 OG1 THR A 52 -6.949 -31.800 -4.351 1.00 10.00 O ATOM 744 CG2 THR A 52 -6.943 -29.940 -2.810 1.00 10.00 C ATOM 0 H THR A 52 -8.943 -32.729 -4.585 1.00 10.00 H new ATOM 0 HA THR A 52 -8.285 -32.093 -1.946 1.00 10.00 H new ATOM 0 HB THR A 52 -8.325 -30.271 -4.397 1.00 10.00 H new ATOM 0 HG1 THR A 52 -6.306 -31.312 -4.906 1.00 10.00 H new ATOM 0 HG21 THR A 52 -6.240 -29.397 -3.441 1.00 10.00 H new ATOM 0 HG22 THR A 52 -7.597 -29.231 -2.302 1.00 10.00 H new ATOM 0 HG23 THR A 52 -6.393 -30.521 -2.070 1.00 10.00 H new ATOM 752 N CYS A 53 -9.860 -30.324 -1.040 1.00 10.00 N ATOM 753 CA CYS A 53 -10.883 -29.428 -0.523 1.00 10.00 C ATOM 754 C CYS A 53 -10.674 -28.024 -1.104 1.00 10.00 C ATOM 755 O CYS A 53 -9.626 -27.423 -0.852 1.00 10.00 O ATOM 756 CB CYS A 53 -10.834 -29.383 1.002 1.00 10.00 C ATOM 757 SG CYS A 53 -12.164 -28.371 1.702 1.00 10.00 S ATOM 0 H CYS A 53 -9.152 -30.605 -0.362 1.00 10.00 H new ATOM 0 HA CYS A 53 -11.864 -29.798 -0.821 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.906 -30.397 1.396 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.871 -28.985 1.321 1.00 10.00 H new ATOM 762 N PRO A 54 -11.638 -27.470 -1.860 1.00 10.00 N ATOM 763 CA PRO A 54 -11.492 -26.155 -2.458 1.00 10.00 C ATOM 764 C PRO A 54 -11.529 -25.053 -1.398 1.00 10.00 C ATOM 765 O PRO A 54 -10.784 -24.082 -1.505 1.00 10.00 O ATOM 766 CB PRO A 54 -12.645 -26.030 -3.458 1.00 10.00 C ATOM 767 CG PRO A 54 -13.729 -26.934 -2.875 1.00 10.00 C ATOM 768 CD PRO A 54 -12.925 -28.056 -2.214 1.00 10.00 C ATOM 0 HA PRO A 54 -10.528 -26.041 -2.954 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -12.988 -24.999 -3.547 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -12.347 -26.354 -4.455 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -14.351 -26.404 -2.153 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -14.394 -27.317 -3.649 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -13.438 -28.436 -1.330 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -12.797 -28.898 -2.894 1.00 10.00 H new ATOM 776 N HIS A 55 -12.388 -25.200 -0.382 1.00 10.00 N ATOM 777 CA HIS A 55 -12.600 -24.239 0.698 1.00 10.00 C ATOM 778 C HIS A 55 -11.285 -23.735 1.315 1.00 10.00 C ATOM 779 O HIS A 55 -11.138 -22.540 1.566 1.00 10.00 O ATOM 780 CB HIS A 55 -13.520 -24.887 1.745 1.00 10.00 C ATOM 781 CG HIS A 55 -14.064 -23.983 2.825 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.695 -24.416 3.970 1.00 10.00 N ATOM 783 CD2 HIS A 55 -14.110 -22.612 2.825 1.00 10.00 C ATOM 784 CE1 HIS A 55 -15.095 -23.330 4.651 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.759 -22.207 3.996 1.00 10.00 N ATOM 0 H HIS A 55 -12.977 -26.028 -0.290 1.00 10.00 H new ATOM 0 HA HIS A 55 -13.077 -23.347 0.291 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.364 -25.339 1.223 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -12.971 -25.697 2.225 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -13.716 -21.962 2.058 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -15.616 -23.356 5.597 1.00 10.00 H new ATOM 0 HE2 HIS A 55 -14.941 -21.248 4.293 1.00 10.00 H new ATOM 793 N CYS A 56 -10.328 -24.642 1.532 1.00 10.00 N ATOM 794 CA CYS A 56 -9.004 -24.331 2.070 1.00 10.00 C ATOM 795 C CYS A 56 -7.906 -24.560 1.030 1.00 10.00 C ATOM 796 O CYS A 56 -6.745 -24.728 1.399 1.00 10.00 O ATOM 797 CB CYS A 56 -8.745 -25.168 3.324 1.00 10.00 C ATOM 798 SG CYS A 56 -9.000 -26.946 3.124 1.00 10.00 S ATOM 0 H CYS A 56 -10.457 -25.634 1.334 1.00 10.00 H new ATOM 0 HA CYS A 56 -8.983 -23.274 2.335 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.719 -24.998 3.650 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.396 -24.811 4.122 1.00 10.00 H new ATOM 803 N GLN A 57 -8.259 -24.573 -0.260 1.00 10.00 N ATOM 804 CA GLN A 57 -7.336 -24.754 -1.373 1.00 10.00 C ATOM 805 C GLN A 57 -6.338 -25.888 -1.088 1.00 10.00 C ATOM 806 O GLN A 57 -5.141 -25.751 -1.321 1.00 10.00 O ATOM 807 CB GLN A 57 -6.628 -23.424 -1.690 1.00 10.00 C ATOM 808 CG GLN A 57 -7.572 -22.241 -1.982 1.00 10.00 C ATOM 809 CD GLN A 57 -8.223 -21.654 -0.728 1.00 10.00 C ATOM 810 OE1 GLN A 57 -7.568 -20.994 0.074 1.00 10.00 O ATOM 811 NE2 GLN A 57 -9.514 -21.892 -0.535 1.00 10.00 N ATOM 0 H GLN A 57 -9.226 -24.454 -0.562 1.00 10.00 H new ATOM 0 HA GLN A 57 -7.901 -25.051 -2.256 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -5.988 -23.160 -0.848 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -5.977 -23.572 -2.552 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -7.012 -21.457 -2.492 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.353 -22.571 -2.667 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -10.038 -22.443 -1.215 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -9.982 -21.524 0.293 1.00 10.00 H new ATOM 820 N GLY A 58 -6.836 -27.012 -0.564 1.00 10.00 N ATOM 821 CA GLY A 58 -6.022 -28.176 -0.241 1.00 10.00 C ATOM 822 C GLY A 58 -5.070 -28.020 0.951 1.00 10.00 C ATOM 823 O GLY A 58 -4.465 -29.011 1.351 1.00 10.00 O ATOM 0 H GLY A 58 -7.826 -27.135 -0.352 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.687 -29.016 -0.042 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -5.433 -28.438 -1.120 1.00 10.00 H new ATOM 827 N ARG A 59 -4.916 -26.829 1.540 1.00 10.00 N ATOM 828 CA ARG A 59 -4.007 -26.649 2.669 1.00 10.00 C ATOM 829 C ARG A 59 -4.525 -27.378 3.908 1.00 10.00 C ATOM 830 O ARG A 59 -3.747 -27.911 4.693 1.00 10.00 O ATOM 831 CB ARG A 59 -3.867 -25.164 3.022 1.00 10.00 C ATOM 832 CG ARG A 59 -3.258 -24.298 1.912 1.00 10.00 C ATOM 833 CD ARG A 59 -3.046 -22.874 2.446 1.00 10.00 C ATOM 834 NE ARG A 59 -4.315 -22.301 2.922 1.00 10.00 N ATOM 835 CZ ARG A 59 -5.269 -21.788 2.139 1.00 10.00 C ATOM 836 NH1 ARG A 59 -5.010 -21.416 0.884 1.00 10.00 N ATOM 837 NH2 ARG A 59 -6.511 -21.661 2.611 1.00 10.00 N ATOM 0 H ARG A 59 -5.407 -25.982 1.253 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.041 -27.058 2.371 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.852 -24.770 3.273 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.249 -25.073 3.916 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -2.309 -24.721 1.583 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -3.917 -24.280 1.044 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -2.321 -22.890 3.260 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -2.629 -22.244 1.660 1.00 10.00 H new ATOM 0 HE ARG A 59 -4.480 -22.295 3.929 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -4.069 -21.521 0.505 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -5.753 -21.027 0.304 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -6.727 -21.955 3.564 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -7.244 -21.270 2.019 1.00 10.00 H new ATOM 851 N GLY A 60 -5.844 -27.323 4.107 1.00 10.00 N ATOM 852 CA GLY A 60 -6.523 -27.861 5.284 1.00 10.00 C ATOM 853 C GLY A 60 -6.915 -26.735 6.245 1.00 10.00 C ATOM 854 O GLY A 60 -7.769 -26.910 7.114 1.00 10.00 O ATOM 0 H GLY A 60 -6.483 -26.893 3.438 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.413 -28.410 4.977 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.871 -28.570 5.794 1.00 10.00 H new ATOM 858 N THR A 61 -6.270 -25.575 6.098 1.00 10.00 N ATOM 859 CA THR A 61 -6.403 -24.403 6.937 1.00 10.00 C ATOM 860 C THR A 61 -7.086 -23.252 6.197 1.00 10.00 C ATOM 861 O THR A 61 -6.681 -22.900 5.088 1.00 10.00 O ATOM 862 CB THR A 61 -4.973 -23.982 7.292 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.164 -24.074 6.135 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.391 -24.868 8.393 1.00 10.00 C ATOM 0 H THR A 61 -5.602 -25.430 5.341 1.00 10.00 H new ATOM 0 HA THR A 61 -7.011 -24.632 7.812 1.00 10.00 H new ATOM 0 HB THR A 61 -4.995 -22.956 7.659 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.649 -23.706 5.367 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.376 -24.544 8.622 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.008 -24.789 9.288 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.373 -25.904 8.055 1.00 10.00 H new ATOM 872 N LEU A 62 -8.073 -22.632 6.843 1.00 10.00 N ATOM 873 CA LEU A 62 -8.781 -21.464 6.352 1.00 10.00 C ATOM 874 C LEU A 62 -8.081 -20.223 6.894 1.00 10.00 C ATOM 875 O LEU A 62 -7.985 -20.016 8.109 1.00 10.00 O ATOM 876 CB LEU A 62 -10.251 -21.465 6.800 1.00 10.00 C ATOM 877 CG LEU A 62 -11.046 -22.678 6.299 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.422 -22.686 6.969 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.232 -22.639 4.778 1.00 10.00 C ATOM 0 H LEU A 62 -8.409 -22.945 7.754 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.770 -21.474 5.262 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.290 -21.440 7.889 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.731 -20.554 6.443 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.488 -23.579 6.552 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.993 -23.546 6.618 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.300 -22.749 8.050 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -12.955 -21.769 6.717 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.799 -23.513 4.458 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.773 -21.734 4.501 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.256 -22.642 4.292 1.00 10.00 H new ATOM 891 N ILE A 63 -7.604 -19.390 5.973 1.00 10.00 N ATOM 892 CA ILE A 63 -6.932 -18.138 6.263 1.00 10.00 C ATOM 893 C ILE A 63 -8.008 -17.089 6.575 1.00 10.00 C ATOM 894 O ILE A 63 -8.189 -16.117 5.849 1.00 10.00 O ATOM 895 CB ILE A 63 -6.028 -17.777 5.067 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.068 -18.916 4.669 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.222 -16.510 5.359 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.073 -19.288 5.768 1.00 10.00 C ATOM 0 H ILE A 63 -7.680 -19.579 4.974 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.280 -18.199 7.134 1.00 10.00 H new ATOM 0 HB ILE A 63 -6.698 -17.605 4.225 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -5.653 -19.798 4.406 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -4.517 -18.621 3.776 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.591 -16.274 4.502 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -5.904 -15.680 5.547 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -4.596 -16.671 6.237 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.430 -20.096 5.418 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.463 -18.419 6.016 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -4.616 -19.615 6.655 1.00 10.00 H new ATOM 910 N LYS A 64 -8.755 -17.312 7.661 1.00 10.00 N ATOM 911 CA LYS A 64 -9.844 -16.431 8.076 1.00 10.00 C ATOM 912 C LYS A 64 -9.323 -15.031 8.425 1.00 10.00 C ATOM 913 O LYS A 64 -10.003 -14.032 8.201 1.00 10.00 O ATOM 914 CB LYS A 64 -10.585 -17.072 9.260 1.00 10.00 C ATOM 915 CG LYS A 64 -11.894 -16.335 9.574 1.00 10.00 C ATOM 916 CD LYS A 64 -12.622 -17.008 10.744 1.00 10.00 C ATOM 917 CE LYS A 64 -13.993 -16.372 11.002 1.00 10.00 C ATOM 918 NZ LYS A 64 -13.883 -14.953 11.385 1.00 10.00 N ATOM 0 H LYS A 64 -8.618 -18.113 8.278 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.543 -16.306 7.249 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -10.800 -18.116 9.033 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -9.942 -17.063 10.140 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -11.682 -15.294 9.820 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -12.536 -16.330 8.693 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -12.748 -18.070 10.532 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.011 -16.933 11.644 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -14.607 -16.458 10.105 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -14.504 -16.922 11.792 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -14.822 -14.591 11.648 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -13.237 -14.861 12.195 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -13.513 -14.405 10.583 1.00 10.00 H new ATOM 932 N ASP A 65 -8.122 -14.975 9.003 1.00 10.00 N ATOM 933 CA ASP A 65 -7.418 -13.784 9.462 1.00 10.00 C ATOM 934 C ASP A 65 -6.188 -13.549 8.565 1.00 10.00 C ATOM 935 O ASP A 65 -5.067 -13.843 8.979 1.00 10.00 O ATOM 936 CB ASP A 65 -7.053 -14.012 10.941 1.00 10.00 C ATOM 937 CG ASP A 65 -6.169 -15.242 11.186 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.544 -16.337 10.704 1.00 10.00 O ATOM 939 OD2 ASP A 65 -5.134 -15.068 11.861 1.00 10.00 O ATOM 0 H ASP A 65 -7.580 -15.822 9.173 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.030 -12.884 9.392 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.539 -13.128 11.318 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.971 -14.117 11.519 1.00 10.00 H new ATOM 944 N PRO A 66 -6.374 -13.066 7.324 1.00 10.00 N ATOM 945 CA PRO A 66 -5.312 -12.954 6.334 1.00 10.00 C ATOM 946 C PRO A 66 -4.175 -11.986 6.656 1.00 10.00 C ATOM 947 O PRO A 66 -4.380 -10.824 7.007 1.00 10.00 O ATOM 948 CB PRO A 66 -5.998 -12.567 5.018 1.00 10.00 C ATOM 949 CG PRO A 66 -7.268 -11.863 5.485 1.00 10.00 C ATOM 950 CD PRO A 66 -7.641 -12.671 6.725 1.00 10.00 C ATOM 0 HA PRO A 66 -4.799 -13.915 6.295 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.371 -11.910 4.415 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.223 -13.442 4.408 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -7.090 -10.814 5.720 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.052 -11.891 4.728 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.235 -12.075 7.418 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.239 -13.543 6.461 1.00 10.00 H new ATOM 958 N CYS A 67 -2.952 -12.474 6.440 1.00 10.00 N ATOM 959 CA CYS A 67 -1.719 -11.723 6.535 1.00 10.00 C ATOM 960 C CYS A 67 -1.643 -10.821 5.304 1.00 10.00 C ATOM 961 O CYS A 67 -1.137 -11.234 4.256 1.00 10.00 O ATOM 962 CB CYS A 67 -0.549 -12.706 6.567 1.00 10.00 C ATOM 963 SG CYS A 67 1.104 -11.956 6.537 1.00 10.00 S ATOM 0 H CYS A 67 -2.798 -13.449 6.183 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.680 -11.115 7.439 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.635 -13.317 7.465 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.639 -13.379 5.714 1.00 10.00 H new ATOM 968 N ASN A 68 -2.177 -9.605 5.441 1.00 10.00 N ATOM 969 CA ASN A 68 -2.233 -8.583 4.400 1.00 10.00 C ATOM 970 C ASN A 68 -0.953 -8.530 3.562 1.00 10.00 C ATOM 971 O ASN A 68 -1.039 -8.518 2.337 1.00 10.00 O ATOM 972 CB ASN A 68 -2.519 -7.214 5.024 1.00 10.00 C ATOM 973 CG ASN A 68 -2.480 -6.118 3.965 1.00 10.00 C ATOM 974 OD1 ASN A 68 -1.498 -5.395 3.853 1.00 10.00 O ATOM 975 ND2 ASN A 68 -3.539 -5.991 3.169 1.00 10.00 N ATOM 0 H ASN A 68 -2.599 -9.296 6.317 1.00 10.00 H new ATOM 0 HA ASN A 68 -3.044 -8.853 3.724 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.497 -7.226 5.506 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.784 -7.002 5.800 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.547 -5.276 2.441 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -4.342 -6.608 3.287 1.00 10.00 H new ATOM 982 N LYS A 69 0.214 -8.533 4.219 1.00 10.00 N ATOM 983 CA LYS A 69 1.527 -8.503 3.578 1.00 10.00 C ATOM 984 C LYS A 69 1.615 -9.441 2.369 1.00 10.00 C ATOM 985 O LYS A 69 2.137 -9.048 1.329 1.00 10.00 O ATOM 986 CB LYS A 69 2.614 -8.839 4.608 1.00 10.00 C ATOM 987 CG LYS A 69 4.019 -8.684 4.006 1.00 10.00 C ATOM 988 CD LYS A 69 5.086 -8.982 5.063 1.00 10.00 C ATOM 989 CE LYS A 69 6.495 -9.011 4.455 1.00 10.00 C ATOM 990 NZ LYS A 69 6.871 -7.714 3.867 1.00 10.00 N ATOM 0 H LYS A 69 0.268 -8.557 5.237 1.00 10.00 H new ATOM 0 HA LYS A 69 1.684 -7.494 3.198 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.513 -8.185 5.474 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.479 -9.861 4.963 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.136 -9.361 3.160 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.149 -7.671 3.624 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.043 -8.225 5.847 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.873 -9.941 5.534 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.217 -9.282 5.226 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.543 -9.784 3.688 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.859 -7.753 3.544 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.250 -7.506 3.059 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.770 -6.966 4.582 1.00 10.00 H new ATOM 1004 N CYS A 70 1.107 -10.671 2.502 1.00 10.00 N ATOM 1005 CA CYS A 70 1.103 -11.655 1.424 1.00 10.00 C ATOM 1006 C CYS A 70 -0.319 -11.967 0.972 1.00 10.00 C ATOM 1007 O CYS A 70 -0.535 -12.975 0.309 1.00 10.00 O ATOM 1008 CB CYS A 70 1.788 -12.944 1.888 1.00 10.00 C ATOM 1009 SG CYS A 70 0.981 -13.793 3.261 1.00 10.00 S ATOM 0 H CYS A 70 0.686 -11.010 3.367 1.00 10.00 H new ATOM 0 HA CYS A 70 1.650 -11.234 0.580 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.847 -13.629 1.043 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.812 -12.708 2.179 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.302 -11.150 1.362 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.710 -11.374 1.058 1.00 10.00 C ATOM 1016 C HIS A 71 -3.121 -12.785 1.496 1.00 10.00 C ATOM 1017 O HIS A 71 -3.900 -13.454 0.819 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.952 -11.169 -0.444 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.585 -9.808 -0.991 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -1.997 -8.763 -0.308 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -2.761 -9.401 -2.286 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -1.826 -7.755 -1.179 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -2.278 -8.094 -2.397 1.00 10.00 N ATOM 0 H HIS A 71 -1.135 -10.303 1.906 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.322 -10.657 1.606 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.386 -11.924 -0.990 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -4.007 -11.350 -0.651 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.739 -8.757 0.679 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -3.196 -9.987 -3.082 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -1.385 -6.801 -0.933 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.571 -13.272 2.612 1.00 10.00 N ATOM 1032 CA GLY A 72 -2.850 -14.616 3.087 1.00 10.00 C ATOM 1033 C GLY A 72 -2.415 -15.732 2.125 1.00 10.00 C ATOM 1034 O GLY A 72 -2.828 -16.873 2.308 1.00 10.00 O ATOM 0 H GLY A 72 -1.927 -12.746 3.202 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.348 -14.762 4.044 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.920 -14.708 3.271 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.572 -15.444 1.124 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.085 -16.444 0.171 1.00 10.00 C ATOM 1040 C HIS A 73 0.056 -17.286 0.758 1.00 10.00 C ATOM 1041 O HIS A 73 0.580 -18.168 0.080 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.612 -15.774 -1.128 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.683 -15.081 -1.936 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -2.885 -14.587 -1.480 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -1.622 -14.828 -3.280 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -3.529 -14.052 -2.529 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.800 -14.173 -3.650 1.00 10.00 N ATOM 0 H HIS A 73 -1.209 -14.506 0.954 1.00 10.00 H new ATOM 0 HA HIS A 73 -1.922 -17.108 -0.047 1.00 10.00 H new ATOM 0 HB2 HIS A 73 0.158 -15.044 -0.879 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.143 -16.532 -1.756 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -3.224 -14.621 -0.519 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -0.807 -15.089 -3.939 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -4.502 -13.587 -2.478 1.00 10.00 H new ATOM 1055 N GLY A 74 0.489 -17.006 1.989 1.00 10.00 N ATOM 1056 CA GLY A 74 1.558 -17.752 2.653 1.00 10.00 C ATOM 1057 C GLY A 74 2.956 -17.360 2.166 1.00 10.00 C ATOM 1058 O GLY A 74 3.865 -17.184 2.974 1.00 10.00 O ATOM 0 H GLY A 74 0.105 -16.250 2.556 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.495 -17.586 3.728 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.407 -18.818 2.485 1.00 10.00 H new ATOM 1062 N ARG A 75 3.135 -17.210 0.853 1.00 10.00 N ATOM 1063 CA ARG A 75 4.383 -16.806 0.213 1.00 10.00 C ATOM 1064 C ARG A 75 4.237 -15.436 -0.447 1.00 10.00 C ATOM 1065 O ARG A 75 3.126 -14.925 -0.589 1.00 10.00 O ATOM 1066 CB ARG A 75 4.850 -17.868 -0.802 1.00 10.00 C ATOM 1067 CG ARG A 75 3.754 -18.520 -1.659 1.00 10.00 C ATOM 1068 CD ARG A 75 2.828 -17.565 -2.427 1.00 10.00 C ATOM 1069 NE ARG A 75 3.527 -16.785 -3.460 1.00 10.00 N ATOM 1070 CZ ARG A 75 3.092 -15.607 -3.938 1.00 10.00 C ATOM 1071 NH1 ARG A 75 2.356 -14.785 -3.182 1.00 10.00 N ATOM 1072 NH2 ARG A 75 3.392 -15.254 -5.191 1.00 10.00 N ATOM 0 H ARG A 75 2.384 -17.373 0.182 1.00 10.00 H new ATOM 0 HA ARG A 75 5.149 -16.724 0.984 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.577 -17.406 -1.470 1.00 10.00 H new ATOM 0 HB3 ARG A 75 5.372 -18.655 -0.258 1.00 10.00 H new ATOM 0 HG2 ARG A 75 4.233 -19.184 -2.379 1.00 10.00 H new ATOM 0 HG3 ARG A 75 3.139 -19.144 -1.010 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.030 -18.141 -2.894 1.00 10.00 H new ATOM 0 HD3 ARG A 75 2.356 -16.881 -1.721 1.00 10.00 H new ATOM 0 HE ARG A 75 4.396 -17.162 -3.837 1.00 10.00 H new ATOM 0 HH11 ARG A 75 2.116 -15.049 -2.226 1.00 10.00 H new ATOM 0 HH12 ARG A 75 2.034 -13.894 -3.561 1.00 10.00 H new ATOM 0 HH21 ARG A 75 3.947 -15.877 -5.777 1.00 10.00 H new ATOM 0 HH22 ARG A 75 3.066 -14.361 -5.561 1.00 10.00 H new ATOM 1086 N VAL A 76 5.364 -14.856 -0.864 1.00 10.00 N ATOM 1087 CA VAL A 76 5.455 -13.590 -1.576 1.00 10.00 C ATOM 1088 C VAL A 76 6.416 -13.783 -2.746 1.00 10.00 C ATOM 1089 O VAL A 76 7.402 -14.510 -2.615 1.00 10.00 O ATOM 1090 CB VAL A 76 5.931 -12.455 -0.647 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.888 -12.171 0.436 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.283 -12.737 0.024 1.00 10.00 C ATOM 0 H VAL A 76 6.278 -15.280 -0.705 1.00 10.00 H new ATOM 0 HA VAL A 76 4.471 -13.297 -1.941 1.00 10.00 H new ATOM 0 HB VAL A 76 6.061 -11.585 -1.290 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.243 -11.367 1.081 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.950 -11.873 -0.032 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.728 -13.070 1.031 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.555 -11.896 0.662 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.208 -13.642 0.627 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.047 -12.874 -0.741 1.00 10.00 H new ATOM 1102 N GLU A 77 6.145 -13.135 -3.883 1.00 10.00 N ATOM 1103 CA GLU A 77 7.012 -13.198 -5.046 1.00 10.00 C ATOM 1104 C GLU A 77 8.065 -12.102 -4.926 1.00 10.00 C ATOM 1105 O GLU A 77 7.758 -10.930 -5.168 1.00 10.00 O ATOM 1106 CB GLU A 77 6.200 -13.040 -6.340 1.00 10.00 C ATOM 1107 CG GLU A 77 7.121 -13.135 -7.568 1.00 10.00 C ATOM 1108 CD GLU A 77 6.345 -13.141 -8.882 1.00 10.00 C ATOM 1109 OE1 GLU A 77 5.462 -14.018 -9.008 1.00 10.00 O ATOM 1110 OE2 GLU A 77 6.654 -12.285 -9.739 1.00 10.00 O ATOM 0 H GLU A 77 5.317 -12.554 -4.015 1.00 10.00 H new ATOM 0 HA GLU A 77 7.501 -14.171 -5.088 1.00 10.00 H new ATOM 0 HB2 GLU A 77 5.433 -13.813 -6.392 1.00 10.00 H new ATOM 0 HB3 GLU A 77 5.684 -12.080 -6.338 1.00 10.00 H new ATOM 0 HG2 GLU A 77 7.815 -12.294 -7.564 1.00 10.00 H new ATOM 0 HG3 GLU A 77 7.720 -14.043 -7.499 1.00 10.00 H new ATOM 1117 N ARG A 78 9.305 -12.477 -4.601 1.00 10.00 N ATOM 1118 CA ARG A 78 10.412 -11.537 -4.553 1.00 10.00 C ATOM 1119 C ARG A 78 10.750 -11.164 -5.997 1.00 10.00 C ATOM 1120 O ARG A 78 11.646 -11.716 -6.638 1.00 10.00 O ATOM 1121 CB ARG A 78 11.570 -12.094 -3.715 1.00 10.00 C ATOM 1122 CG ARG A 78 12.934 -11.398 -3.886 1.00 10.00 C ATOM 1123 CD ARG A 78 12.899 -9.868 -4.026 1.00 10.00 C ATOM 1124 NE ARG A 78 12.037 -9.242 -3.015 1.00 10.00 N ATOM 1125 CZ ARG A 78 11.126 -8.276 -3.220 1.00 10.00 C ATOM 1126 NH1 ARG A 78 10.892 -7.756 -4.433 1.00 10.00 N ATOM 1127 NH2 ARG A 78 10.421 -7.833 -2.175 1.00 10.00 N ATOM 0 H ARG A 78 9.562 -13.436 -4.366 1.00 10.00 H new ATOM 0 HA ARG A 78 10.154 -10.614 -4.034 1.00 10.00 H new ATOM 0 HB2 ARG A 78 11.288 -12.040 -2.663 1.00 10.00 H new ATOM 0 HB3 ARG A 78 11.692 -13.149 -3.959 1.00 10.00 H new ATOM 0 HG2 ARG A 78 13.558 -11.650 -3.028 1.00 10.00 H new ATOM 0 HG3 ARG A 78 13.422 -11.812 -4.768 1.00 10.00 H new ATOM 0 HD2 ARG A 78 13.911 -9.472 -3.935 1.00 10.00 H new ATOM 0 HD3 ARG A 78 12.542 -9.603 -5.021 1.00 10.00 H new ATOM 0 HE ARG A 78 12.141 -9.576 -2.057 1.00 10.00 H new ATOM 0 HH11 ARG A 78 11.414 -8.093 -5.242 1.00 10.00 H new ATOM 0 HH12 ARG A 78 10.192 -7.023 -4.547 1.00 10.00 H new ATOM 0 HH21 ARG A 78 10.581 -8.228 -1.248 1.00 10.00 H new ATOM 0 HH22 ARG A 78 9.723 -7.100 -2.304 1.00 10.00 H new ATOM 1141 N SER A 79 9.959 -10.223 -6.502 1.00 10.00 N ATOM 1142 CA SER A 79 10.008 -9.689 -7.845 1.00 10.00 C ATOM 1143 C SER A 79 11.244 -8.806 -8.007 1.00 10.00 C ATOM 1144 O SER A 79 11.672 -8.156 -7.046 1.00 10.00 O ATOM 1145 CB SER A 79 8.715 -8.900 -8.077 1.00 10.00 C ATOM 1146 OG SER A 79 7.581 -9.701 -7.780 1.00 10.00 O ATOM 0 H SER A 79 9.223 -9.791 -5.944 1.00 10.00 H new ATOM 0 HA SER A 79 10.084 -10.486 -8.584 1.00 10.00 H new ATOM 0 HB2 SER A 79 8.710 -8.007 -7.452 1.00 10.00 H new ATOM 0 HB3 SER A 79 8.668 -8.564 -9.113 1.00 10.00 H new ATOM 0 HG SER A 79 7.606 -9.967 -6.837 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.134 -13.549 5.228 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.985 -27.974 3.628 1.00 10.00 ZN