USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 19 CYS SG : rot 180:sc= 0.0975 USER MOD Set 1.2: A 35 SER OG : rot -157:sc= 0.171 USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 19:sc= 1.08 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.22) USER MOD Single : A 13 THR OG1 : rot 45:sc= 0.832 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.057) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00651) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.782 K(o=-0.78,f=-2.7!) USER MOD Single : A 57 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 58 MET CE :methyl -155:sc=-0.00805 (180deg=-0.271) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 62 ASN : amide:sc= 0.0399 K(o=0.04,f=-3.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0513 USER MOD Single : A 69 SER OG : rot -55:sc= 0.211 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.752 -8.433 -13.318 1.00 0.00 N ATOM 2 CA GLY A 1 -31.877 -9.318 -13.558 1.00 0.00 C ATOM 3 C GLY A 1 -33.193 -8.721 -13.099 1.00 0.00 C ATOM 4 O GLY A 1 -33.226 -7.612 -12.565 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.352 -8.125 -14.227 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.073 -7.602 -12.782 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.024 -8.937 -12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.936 -9.545 -14.622 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.710 -10.262 -13.040 1.00 0.00 H new ATOM 8 N SER A 2 -34.280 -9.457 -13.308 1.00 0.00 N ATOM 9 CA SER A 2 -35.605 -8.991 -12.917 1.00 0.00 C ATOM 10 C SER A 2 -36.378 -10.093 -12.199 1.00 0.00 C ATOM 11 O SER A 2 -37.568 -10.293 -12.445 1.00 0.00 O ATOM 12 CB SER A 2 -36.386 -8.520 -14.145 1.00 0.00 C ATOM 13 OG SER A 2 -35.844 -7.319 -14.665 1.00 0.00 O ATOM 0 H SER A 2 -34.269 -10.378 -13.746 1.00 0.00 H new ATOM 0 HA SER A 2 -35.481 -8.153 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.365 -9.294 -14.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.431 -8.365 -13.877 1.00 0.00 H new ATOM 0 HG SER A 2 -36.360 -7.040 -15.450 1.00 0.00 H new ATOM 19 N SER A 3 -35.693 -10.806 -11.311 1.00 0.00 N ATOM 20 CA SER A 3 -36.314 -11.891 -10.560 1.00 0.00 C ATOM 21 C SER A 3 -36.938 -11.370 -9.269 1.00 0.00 C ATOM 22 O SER A 3 -36.844 -10.184 -8.954 1.00 0.00 O ATOM 23 CB SER A 3 -35.281 -12.973 -10.239 1.00 0.00 C ATOM 24 OG SER A 3 -34.256 -12.468 -9.401 1.00 0.00 O ATOM 0 H SER A 3 -34.708 -10.652 -11.094 1.00 0.00 H new ATOM 0 HA SER A 3 -37.103 -12.322 -11.177 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.772 -13.815 -9.751 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.846 -13.350 -11.164 1.00 0.00 H new ATOM 0 HG SER A 3 -33.610 -13.179 -9.209 1.00 0.00 H new ATOM 30 N GLY A 4 -37.578 -12.267 -8.524 1.00 0.00 N ATOM 31 CA GLY A 4 -38.210 -11.880 -7.276 1.00 0.00 C ATOM 32 C GLY A 4 -37.298 -12.073 -6.081 1.00 0.00 C ATOM 33 O GLY A 4 -37.681 -12.700 -5.094 1.00 0.00 O ATOM 0 H GLY A 4 -37.670 -13.254 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.512 -10.834 -7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.118 -12.466 -7.135 1.00 0.00 H new ATOM 37 N SER A 5 -36.086 -11.533 -6.170 1.00 0.00 N ATOM 38 CA SER A 5 -35.115 -11.653 -5.089 1.00 0.00 C ATOM 39 C SER A 5 -33.862 -10.837 -5.392 1.00 0.00 C ATOM 40 O SER A 5 -33.098 -11.166 -6.299 1.00 0.00 O ATOM 41 CB SER A 5 -34.741 -13.120 -4.871 1.00 0.00 C ATOM 42 OG SER A 5 -33.943 -13.607 -5.936 1.00 0.00 O ATOM 0 H SER A 5 -35.754 -11.009 -6.979 1.00 0.00 H new ATOM 0 HA SER A 5 -35.571 -11.263 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.201 -13.225 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.647 -13.721 -4.787 1.00 0.00 H new ATOM 0 HG SER A 5 -33.555 -12.852 -6.426 1.00 0.00 H new ATOM 48 N SER A 6 -33.657 -9.771 -4.624 1.00 0.00 N ATOM 49 CA SER A 6 -32.499 -8.905 -4.812 1.00 0.00 C ATOM 50 C SER A 6 -31.819 -8.611 -3.478 1.00 0.00 C ATOM 51 O SER A 6 -32.449 -8.120 -2.542 1.00 0.00 O ATOM 52 CB SER A 6 -32.919 -7.596 -5.483 1.00 0.00 C ATOM 53 OG SER A 6 -31.801 -6.928 -6.042 1.00 0.00 O ATOM 0 H SER A 6 -34.278 -9.487 -3.866 1.00 0.00 H new ATOM 0 HA SER A 6 -31.788 -9.423 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.651 -7.802 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.405 -6.949 -4.753 1.00 0.00 H new ATOM 0 HG SER A 6 -32.096 -6.095 -6.466 1.00 0.00 H new ATOM 59 N GLY A 7 -30.527 -8.914 -3.400 1.00 0.00 N ATOM 60 CA GLY A 7 -29.782 -8.676 -2.178 1.00 0.00 C ATOM 61 C GLY A 7 -28.344 -9.146 -2.275 1.00 0.00 C ATOM 62 O GLY A 7 -27.900 -9.977 -1.483 1.00 0.00 O ATOM 0 H GLY A 7 -29.983 -9.320 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.798 -7.611 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.273 -9.188 -1.351 1.00 0.00 H new ATOM 66 N ARG A 8 -27.614 -8.614 -3.250 1.00 0.00 N ATOM 67 CA ARG A 8 -26.219 -8.986 -3.450 1.00 0.00 C ATOM 68 C ARG A 8 -25.431 -7.831 -4.062 1.00 0.00 C ATOM 69 O ARG A 8 -25.992 -6.978 -4.750 1.00 0.00 O ATOM 70 CB ARG A 8 -26.121 -10.218 -4.351 1.00 0.00 C ATOM 71 CG ARG A 8 -26.695 -11.478 -3.724 1.00 0.00 C ATOM 72 CD ARG A 8 -26.001 -12.726 -4.246 1.00 0.00 C ATOM 73 NE ARG A 8 -26.640 -13.949 -3.768 1.00 0.00 N ATOM 74 CZ ARG A 8 -27.797 -14.405 -4.235 1.00 0.00 C ATOM 75 NH1 ARG A 8 -28.437 -13.743 -5.189 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.315 -15.525 -3.749 1.00 0.00 N ATOM 0 H ARG A 8 -27.966 -7.924 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 8 -25.789 -9.222 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -26.644 -10.017 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -25.075 -10.392 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -26.588 -11.427 -2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -27.762 -11.538 -3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.008 -12.716 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.957 -12.717 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.172 -14.482 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.041 -12.882 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.325 -14.095 -5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.825 -16.037 -3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.203 -15.874 -4.108 1.00 0.00 H new ATOM 90 N VAL A 9 -24.126 -7.811 -3.807 1.00 0.00 N ATOM 91 CA VAL A 9 -23.261 -6.762 -4.332 1.00 0.00 C ATOM 92 C VAL A 9 -23.024 -6.943 -5.828 1.00 0.00 C ATOM 93 O VAL A 9 -23.141 -8.048 -6.357 1.00 0.00 O ATOM 94 CB VAL A 9 -21.902 -6.740 -3.608 1.00 0.00 C ATOM 95 CG1 VAL A 9 -22.090 -6.445 -2.127 1.00 0.00 C ATOM 96 CG2 VAL A 9 -21.170 -8.058 -3.808 1.00 0.00 C ATOM 0 H VAL A 9 -23.645 -8.510 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 9 -23.772 -5.815 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 9 -21.294 -5.944 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.119 -6.434 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.570 -5.474 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -22.716 -7.216 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -20.212 -8.024 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.772 -8.873 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -21.001 -8.223 -4.872 1.00 0.00 H new ATOM 106 N LYS A 10 -22.690 -5.849 -6.505 1.00 0.00 N ATOM 107 CA LYS A 10 -22.434 -5.886 -7.940 1.00 0.00 C ATOM 108 C LYS A 10 -21.041 -6.436 -8.230 1.00 0.00 C ATOM 109 O LYS A 10 -20.062 -5.690 -8.252 1.00 0.00 O ATOM 110 CB LYS A 10 -22.576 -4.485 -8.539 1.00 0.00 C ATOM 111 CG LYS A 10 -23.997 -4.142 -8.952 1.00 0.00 C ATOM 112 CD LYS A 10 -24.863 -3.810 -7.749 1.00 0.00 C ATOM 113 CE LYS A 10 -26.096 -3.017 -8.151 1.00 0.00 C ATOM 114 NZ LYS A 10 -27.147 -3.052 -7.096 1.00 0.00 N ATOM 0 H LYS A 10 -22.590 -4.926 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 10 -23.169 -6.547 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -22.231 -3.751 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -21.924 -4.403 -9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -23.983 -3.294 -9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -24.432 -4.982 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -25.168 -4.732 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -24.281 -3.238 -7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -25.814 -1.983 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -26.500 -3.420 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -27.971 -2.500 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -27.435 -4.037 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -26.770 -2.644 -6.217 1.00 0.00 H new ATOM 128 N GLN A 11 -20.961 -7.743 -8.455 1.00 0.00 N ATOM 129 CA GLN A 11 -19.688 -8.392 -8.745 1.00 0.00 C ATOM 130 C GLN A 11 -18.551 -7.727 -7.976 1.00 0.00 C ATOM 131 O GLN A 11 -17.474 -7.488 -8.523 1.00 0.00 O ATOM 132 CB GLN A 11 -19.399 -8.346 -10.246 1.00 0.00 C ATOM 133 CG GLN A 11 -20.429 -9.083 -11.087 1.00 0.00 C ATOM 134 CD GLN A 11 -20.599 -10.530 -10.665 1.00 0.00 C ATOM 135 OE1 GLN A 11 -21.423 -10.845 -9.806 1.00 0.00 O ATOM 136 NE2 GLN A 11 -19.819 -11.418 -11.269 1.00 0.00 N ATOM 0 H GLN A 11 -21.763 -8.374 -8.442 1.00 0.00 H new ATOM 0 HA GLN A 11 -19.758 -9.432 -8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -19.357 -7.305 -10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -18.415 -8.777 -10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -21.388 -8.571 -11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -20.131 -9.047 -12.135 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.150 -11.112 -11.975 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.889 -12.406 -11.027 1.00 0.00 H new ATOM 145 N LEU A 12 -18.797 -7.431 -6.705 1.00 0.00 N ATOM 146 CA LEU A 12 -17.794 -6.793 -5.860 1.00 0.00 C ATOM 147 C LEU A 12 -17.669 -7.515 -4.522 1.00 0.00 C ATOM 148 O LEU A 12 -18.180 -7.051 -3.503 1.00 0.00 O ATOM 149 CB LEU A 12 -18.153 -5.324 -5.627 1.00 0.00 C ATOM 150 CG LEU A 12 -17.756 -4.352 -6.739 1.00 0.00 C ATOM 151 CD1 LEU A 12 -18.375 -2.984 -6.497 1.00 0.00 C ATOM 152 CD2 LEU A 12 -16.241 -4.245 -6.838 1.00 0.00 C ATOM 0 H LEU A 12 -19.683 -7.623 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.834 -6.849 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -19.230 -5.253 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.680 -4.998 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 12 -18.135 -4.737 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -18.082 -2.305 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.461 -3.074 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.026 -2.591 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.977 -3.549 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.839 -3.883 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.821 -5.226 -7.059 1.00 0.00 H new ATOM 164 N THR A 13 -16.984 -8.655 -4.532 1.00 0.00 N ATOM 165 CA THR A 13 -16.791 -9.441 -3.321 1.00 0.00 C ATOM 166 C THR A 13 -15.310 -9.583 -2.988 1.00 0.00 C ATOM 167 O THR A 13 -14.668 -10.559 -3.376 1.00 0.00 O ATOM 168 CB THR A 13 -17.412 -10.844 -3.457 1.00 0.00 C ATOM 169 OG1 THR A 13 -16.831 -11.531 -4.572 1.00 0.00 O ATOM 170 CG2 THR A 13 -18.919 -10.754 -3.640 1.00 0.00 C ATOM 0 H THR A 13 -16.554 -9.054 -5.366 1.00 0.00 H new ATOM 0 HA THR A 13 -17.292 -8.907 -2.514 1.00 0.00 H new ATOM 0 HB THR A 13 -17.206 -11.398 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.858 -11.417 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 13 -19.335 -11.757 -3.734 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.361 -10.257 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 13 -19.143 -10.183 -4.541 1.00 0.00 H new ATOM 178 N ASP A 14 -14.775 -8.605 -2.266 1.00 0.00 N ATOM 179 CA ASP A 14 -13.369 -8.623 -1.879 1.00 0.00 C ATOM 180 C ASP A 14 -13.189 -9.283 -0.516 1.00 0.00 C ATOM 181 O ASP A 14 -13.860 -8.925 0.451 1.00 0.00 O ATOM 182 CB ASP A 14 -12.809 -7.200 -1.848 1.00 0.00 C ATOM 183 CG ASP A 14 -13.852 -6.176 -1.445 1.00 0.00 C ATOM 184 OD1 ASP A 14 -14.625 -5.741 -2.324 1.00 0.00 O ATOM 185 OD2 ASP A 14 -13.894 -5.809 -0.252 1.00 0.00 O ATOM 0 H ASP A 14 -15.293 -7.790 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.821 -9.205 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.973 -7.157 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.416 -6.946 -2.832 1.00 0.00 H new ATOM 190 N GLU A 15 -12.279 -10.250 -0.448 1.00 0.00 N ATOM 191 CA GLU A 15 -12.012 -10.961 0.797 1.00 0.00 C ATOM 192 C GLU A 15 -10.609 -10.653 1.311 1.00 0.00 C ATOM 193 O GLU A 15 -9.976 -11.488 1.956 1.00 0.00 O ATOM 194 CB GLU A 15 -12.172 -12.469 0.593 1.00 0.00 C ATOM 195 CG GLU A 15 -13.601 -12.958 0.759 1.00 0.00 C ATOM 196 CD GLU A 15 -13.675 -14.387 1.260 1.00 0.00 C ATOM 197 OE1 GLU A 15 -13.488 -15.312 0.441 1.00 0.00 O ATOM 198 OE2 GLU A 15 -13.919 -14.582 2.469 1.00 0.00 O ATOM 0 H GLU A 15 -11.715 -10.559 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.734 -10.623 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.821 -12.731 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.533 -12.993 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.126 -12.305 1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.119 -12.885 -0.197 1.00 0.00 H new ATOM 205 N GLU A 16 -10.130 -9.448 1.019 1.00 0.00 N ATOM 206 CA GLU A 16 -8.801 -9.030 1.450 1.00 0.00 C ATOM 207 C GLU A 16 -8.892 -8.008 2.579 1.00 0.00 C ATOM 208 O GLU A 16 -9.912 -7.339 2.744 1.00 0.00 O ATOM 209 CB GLU A 16 -8.022 -8.438 0.273 1.00 0.00 C ATOM 210 CG GLU A 16 -7.857 -9.398 -0.893 1.00 0.00 C ATOM 211 CD GLU A 16 -9.021 -9.341 -1.864 1.00 0.00 C ATOM 212 OE1 GLU A 16 -10.155 -9.073 -1.416 1.00 0.00 O ATOM 213 OE2 GLU A 16 -8.796 -9.566 -3.072 1.00 0.00 O ATOM 0 H GLU A 16 -10.642 -8.745 0.486 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.274 -9.909 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.534 -7.541 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.036 -8.128 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.934 -9.164 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.756 -10.414 -0.511 1.00 0.00 H new ATOM 220 N GLU A 17 -7.818 -7.894 3.354 1.00 0.00 N ATOM 221 CA GLU A 17 -7.777 -6.955 4.469 1.00 0.00 C ATOM 222 C GLU A 17 -6.384 -6.350 4.621 1.00 0.00 C ATOM 223 O GLU A 17 -5.377 -7.052 4.528 1.00 0.00 O ATOM 224 CB GLU A 17 -8.186 -7.653 5.768 1.00 0.00 C ATOM 225 CG GLU A 17 -9.376 -8.584 5.610 1.00 0.00 C ATOM 226 CD GLU A 17 -9.906 -9.085 6.939 1.00 0.00 C ATOM 227 OE1 GLU A 17 -9.430 -10.139 7.409 1.00 0.00 O ATOM 228 OE2 GLU A 17 -10.797 -8.421 7.510 1.00 0.00 O ATOM 0 H GLU A 17 -6.965 -8.440 3.230 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.482 -6.151 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.338 -8.223 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.423 -6.898 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.172 -8.062 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.087 -9.436 4.994 1.00 0.00 H new ATOM 235 N CYS A 18 -6.336 -5.043 4.854 1.00 0.00 N ATOM 236 CA CYS A 18 -5.068 -4.342 5.018 1.00 0.00 C ATOM 237 C CYS A 18 -4.166 -5.072 6.008 1.00 0.00 C ATOM 238 O CYS A 18 -4.644 -5.808 6.873 1.00 0.00 O ATOM 239 CB CYS A 18 -5.312 -2.908 5.494 1.00 0.00 C ATOM 240 SG CYS A 18 -3.790 -1.946 5.767 1.00 0.00 S ATOM 0 H CYS A 18 -7.160 -4.448 4.934 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.568 -4.316 4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.928 -2.392 4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.882 -2.937 6.422 1.00 0.00 H new ATOM 245 N CYS A 19 -2.861 -4.863 5.877 1.00 0.00 N ATOM 246 CA CYS A 19 -1.891 -5.502 6.760 1.00 0.00 C ATOM 247 C CYS A 19 -1.318 -4.498 7.755 1.00 0.00 C ATOM 248 O CYS A 19 -1.019 -4.844 8.898 1.00 0.00 O ATOM 249 CB CYS A 19 -0.762 -6.130 5.942 1.00 0.00 C ATOM 250 SG CYS A 19 -1.246 -7.616 5.033 1.00 0.00 S ATOM 0 H CYS A 19 -2.450 -4.256 5.168 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.404 -6.285 7.317 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.386 -5.391 5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.062 -6.379 6.611 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.224 -8.072 4.371 1.00 0.00 H new ATOM 256 N ILE A 20 -1.167 -3.255 7.312 1.00 0.00 N ATOM 257 CA ILE A 20 -0.629 -2.201 8.163 1.00 0.00 C ATOM 258 C ILE A 20 -1.529 -1.957 9.370 1.00 0.00 C ATOM 259 O ILE A 20 -1.059 -1.898 10.507 1.00 0.00 O ATOM 260 CB ILE A 20 -0.461 -0.881 7.388 1.00 0.00 C ATOM 261 CG1 ILE A 20 0.710 -0.986 6.408 1.00 0.00 C ATOM 262 CG2 ILE A 20 -0.249 0.276 8.352 1.00 0.00 C ATOM 263 CD1 ILE A 20 1.069 0.329 5.752 1.00 0.00 C ATOM 0 H ILE A 20 -1.410 -2.953 6.368 1.00 0.00 H new ATOM 0 HA ILE A 20 0.350 -2.540 8.503 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.371 -0.692 6.819 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.583 -1.369 6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.462 -1.713 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.132 1.202 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.111 0.360 9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.648 0.096 8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.907 0.179 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.211 0.704 5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.349 1.053 6.517 1.00 0.00 H new ATOM 275 N CYS A 21 -2.826 -1.817 9.116 1.00 0.00 N ATOM 276 CA CYS A 21 -3.793 -1.581 10.181 1.00 0.00 C ATOM 277 C CYS A 21 -4.787 -2.734 10.278 1.00 0.00 C ATOM 278 O CYS A 21 -5.195 -3.125 11.372 1.00 0.00 O ATOM 279 CB CYS A 21 -4.540 -0.268 9.937 1.00 0.00 C ATOM 280 SG CYS A 21 -5.732 -0.335 8.561 1.00 0.00 S ATOM 0 H CYS A 21 -3.231 -1.863 8.181 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.250 -1.513 11.123 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.069 0.011 10.848 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.813 0.519 9.736 1.00 0.00 H new ATOM 285 N MET A 22 -5.173 -3.274 9.127 1.00 0.00 N ATOM 286 CA MET A 22 -6.118 -4.384 9.082 1.00 0.00 C ATOM 287 C MET A 22 -7.495 -3.945 9.572 1.00 0.00 C ATOM 288 O MET A 22 -8.135 -4.641 10.360 1.00 0.00 O ATOM 289 CB MET A 22 -5.610 -5.550 9.933 1.00 0.00 C ATOM 290 CG MET A 22 -6.041 -6.912 9.416 1.00 0.00 C ATOM 291 SD MET A 22 -6.236 -8.126 10.735 1.00 0.00 S ATOM 292 CE MET A 22 -4.724 -9.068 10.554 1.00 0.00 C ATOM 0 H MET A 22 -4.846 -2.961 8.213 1.00 0.00 H new ATOM 0 HA MET A 22 -6.207 -4.711 8.046 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.521 -5.513 9.972 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.970 -5.428 10.954 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.984 -6.811 8.879 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.303 -7.275 8.700 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.697 -9.860 11.303 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.687 -9.509 9.558 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.866 -8.409 10.691 1.00 0.00 H new ATOM 302 N ASP A 23 -7.945 -2.788 9.099 1.00 0.00 N ATOM 303 CA ASP A 23 -9.246 -2.257 9.489 1.00 0.00 C ATOM 304 C ASP A 23 -10.374 -3.113 8.920 1.00 0.00 C ATOM 305 O ASP A 23 -11.037 -3.848 9.650 1.00 0.00 O ATOM 306 CB ASP A 23 -9.395 -0.812 9.011 1.00 0.00 C ATOM 307 CG ASP A 23 -10.752 -0.227 9.348 1.00 0.00 C ATOM 308 OD1 ASP A 23 -11.265 -0.514 10.450 1.00 0.00 O ATOM 309 OD2 ASP A 23 -11.302 0.518 8.510 1.00 0.00 O ATOM 0 H ASP A 23 -7.428 -2.200 8.445 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.309 -2.280 10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.616 -0.200 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.243 -0.772 7.932 1.00 0.00 H new ATOM 314 N GLY A 24 -10.586 -3.010 7.611 1.00 0.00 N ATOM 315 CA GLY A 24 -11.635 -3.779 6.967 1.00 0.00 C ATOM 316 C GLY A 24 -11.153 -4.480 5.713 1.00 0.00 C ATOM 317 O GLY A 24 -10.925 -5.690 5.719 1.00 0.00 O ATOM 0 H GLY A 24 -10.050 -2.408 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.021 -4.519 7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.463 -3.117 6.714 1.00 0.00 H new ATOM 321 N ARG A 25 -10.999 -3.719 4.634 1.00 0.00 N ATOM 322 CA ARG A 25 -10.544 -4.276 3.366 1.00 0.00 C ATOM 323 C ARG A 25 -9.329 -3.515 2.842 1.00 0.00 C ATOM 324 O ARG A 25 -9.005 -2.433 3.330 1.00 0.00 O ATOM 325 CB ARG A 25 -11.671 -4.232 2.332 1.00 0.00 C ATOM 326 CG ARG A 25 -12.017 -2.827 1.867 1.00 0.00 C ATOM 327 CD ARG A 25 -11.204 -2.429 0.645 1.00 0.00 C ATOM 328 NE ARG A 25 -11.531 -3.246 -0.520 1.00 0.00 N ATOM 329 CZ ARG A 25 -11.354 -2.843 -1.773 1.00 0.00 C ATOM 330 NH1 ARG A 25 -10.855 -1.640 -2.022 1.00 0.00 N ATOM 331 NH2 ARG A 25 -11.675 -3.644 -2.781 1.00 0.00 N ATOM 0 H ARG A 25 -11.183 -2.716 4.613 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.256 -5.313 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.383 -4.831 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.562 -4.694 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -13.080 -2.772 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.832 -2.119 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.387 -1.379 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.142 -2.526 0.869 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.916 -4.177 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.606 -1.021 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.720 -1.333 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -12.058 -4.571 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.539 -3.333 -3.743 1.00 0.00 H new ATOM 345 N ALA A 26 -8.662 -4.089 1.847 1.00 0.00 N ATOM 346 CA ALA A 26 -7.484 -3.465 1.257 1.00 0.00 C ATOM 347 C ALA A 26 -7.810 -2.851 -0.101 1.00 0.00 C ATOM 348 O ALA A 26 -8.685 -3.337 -0.818 1.00 0.00 O ATOM 349 CB ALA A 26 -6.360 -4.480 1.122 1.00 0.00 C ATOM 0 H ALA A 26 -8.917 -4.985 1.432 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.158 -2.664 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.487 -4.000 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.101 -4.869 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.685 -5.300 0.482 1.00 0.00 H new ATOM 355 N ASP A 27 -7.103 -1.781 -0.447 1.00 0.00 N ATOM 356 CA ASP A 27 -7.317 -1.101 -1.719 1.00 0.00 C ATOM 357 C ASP A 27 -6.465 -1.727 -2.819 1.00 0.00 C ATOM 358 O ASP A 27 -6.837 -1.707 -3.993 1.00 0.00 O ATOM 359 CB ASP A 27 -6.990 0.387 -1.587 1.00 0.00 C ATOM 360 CG ASP A 27 -5.539 0.631 -1.224 1.00 0.00 C ATOM 361 OD1 ASP A 27 -4.653 0.126 -1.945 1.00 0.00 O ATOM 362 OD2 ASP A 27 -5.289 1.329 -0.218 1.00 0.00 O ATOM 0 H ASP A 27 -6.376 -1.366 0.136 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.367 -1.211 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.216 0.890 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.631 0.831 -0.826 1.00 0.00 H new ATOM 367 N LEU A 28 -5.321 -2.279 -2.432 1.00 0.00 N ATOM 368 CA LEU A 28 -4.414 -2.909 -3.386 1.00 0.00 C ATOM 369 C LEU A 28 -3.585 -3.997 -2.712 1.00 0.00 C ATOM 370 O LEU A 28 -3.596 -4.131 -1.488 1.00 0.00 O ATOM 371 CB LEU A 28 -3.491 -1.862 -4.011 1.00 0.00 C ATOM 372 CG LEU A 28 -2.460 -1.232 -3.074 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.182 -2.057 -3.055 1.00 0.00 C ATOM 374 CD2 LEU A 28 -2.165 0.201 -3.492 1.00 0.00 C ATOM 0 H LEU A 28 -4.999 -2.303 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.014 -3.369 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.961 -2.325 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.108 -1.066 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.874 -1.218 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.460 -1.594 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.405 -3.066 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.764 -2.104 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.429 0.634 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.771 0.210 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.083 0.788 -3.453 1.00 0.00 H new ATOM 386 N ILE A 29 -2.866 -4.771 -3.518 1.00 0.00 N ATOM 387 CA ILE A 29 -2.028 -5.845 -2.999 1.00 0.00 C ATOM 388 C ILE A 29 -0.683 -5.889 -3.716 1.00 0.00 C ATOM 389 O ILE A 29 -0.622 -5.875 -4.947 1.00 0.00 O ATOM 390 CB ILE A 29 -2.718 -7.215 -3.140 1.00 0.00 C ATOM 391 CG1 ILE A 29 -4.185 -7.118 -2.717 1.00 0.00 C ATOM 392 CG2 ILE A 29 -1.989 -8.262 -2.311 1.00 0.00 C ATOM 393 CD1 ILE A 29 -5.056 -8.206 -3.304 1.00 0.00 C ATOM 0 H ILE A 29 -2.847 -4.674 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.866 -5.636 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.681 -7.518 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.245 -7.163 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.578 -6.147 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.488 -9.225 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.958 -8.346 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.998 -7.966 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.082 -8.075 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.026 -8.148 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.688 -9.180 -2.982 1.00 0.00 H new ATOM 405 N LEU A 30 0.393 -5.943 -2.940 1.00 0.00 N ATOM 406 CA LEU A 30 1.739 -5.991 -3.501 1.00 0.00 C ATOM 407 C LEU A 30 2.122 -7.420 -3.875 1.00 0.00 C ATOM 408 O LEU A 30 1.586 -8.392 -3.343 1.00 0.00 O ATOM 409 CB LEU A 30 2.750 -5.425 -2.502 1.00 0.00 C ATOM 410 CG LEU A 30 2.751 -3.905 -2.337 1.00 0.00 C ATOM 411 CD1 LEU A 30 3.800 -3.478 -1.322 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.993 -3.223 -3.676 1.00 0.00 C ATOM 0 H LEU A 30 0.360 -5.955 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 30 1.751 -5.382 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.560 -5.876 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.748 -5.738 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 30 1.772 -3.599 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.786 -2.393 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.582 -3.938 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.786 -3.797 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.990 -2.142 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.958 -3.536 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.204 -3.502 -4.374 1.00 0.00 H new ATOM 424 N PRO A 31 3.075 -7.551 -4.810 1.00 0.00 N ATOM 425 CA PRO A 31 3.554 -8.857 -5.273 1.00 0.00 C ATOM 426 C PRO A 31 4.361 -9.590 -4.208 1.00 0.00 C ATOM 427 O PRO A 31 4.883 -10.679 -4.450 1.00 0.00 O ATOM 428 CB PRO A 31 4.442 -8.505 -6.469 1.00 0.00 C ATOM 429 CG PRO A 31 4.893 -7.109 -6.208 1.00 0.00 C ATOM 430 CD PRO A 31 3.759 -6.436 -5.486 1.00 0.00 C ATOM 0 HA PRO A 31 2.732 -9.529 -5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.289 -9.187 -6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.890 -8.574 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.801 -7.098 -5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.124 -6.593 -7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.120 -5.695 -4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.095 -5.917 -6.177 1.00 0.00 H new ATOM 438 N CYS A 32 4.459 -8.988 -3.028 1.00 0.00 N ATOM 439 CA CYS A 32 5.203 -9.584 -1.924 1.00 0.00 C ATOM 440 C CYS A 32 4.258 -10.045 -0.818 1.00 0.00 C ATOM 441 O CYS A 32 4.673 -10.247 0.323 1.00 0.00 O ATOM 442 CB CYS A 32 6.213 -8.581 -1.362 1.00 0.00 C ATOM 443 SG CYS A 32 5.537 -6.908 -1.108 1.00 0.00 S ATOM 0 H CYS A 32 4.032 -8.087 -2.811 1.00 0.00 H new ATOM 0 HA CYS A 32 5.738 -10.453 -2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.591 -8.957 -0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.063 -8.518 -2.041 1.00 0.00 H new ATOM 448 N ALA A 33 2.986 -10.210 -1.165 1.00 0.00 N ATOM 449 CA ALA A 33 1.983 -10.649 -0.203 1.00 0.00 C ATOM 450 C ALA A 33 1.762 -9.598 0.880 1.00 0.00 C ATOM 451 O ALA A 33 1.872 -9.887 2.072 1.00 0.00 O ATOM 452 CB ALA A 33 2.395 -11.974 0.422 1.00 0.00 C ATOM 0 H ALA A 33 2.626 -10.046 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 33 1.042 -10.787 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.637 -12.290 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.494 -12.729 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.350 -11.854 0.934 1.00 0.00 H new ATOM 458 N HIS A 34 1.451 -8.376 0.457 1.00 0.00 N ATOM 459 CA HIS A 34 1.215 -7.281 1.391 1.00 0.00 C ATOM 460 C HIS A 34 0.103 -6.367 0.887 1.00 0.00 C ATOM 461 O HIS A 34 0.220 -5.758 -0.176 1.00 0.00 O ATOM 462 CB HIS A 34 2.498 -6.475 1.599 1.00 0.00 C ATOM 463 CG HIS A 34 3.524 -7.186 2.427 1.00 0.00 C ATOM 464 ND1 HIS A 34 4.880 -7.078 2.201 1.00 0.00 N ATOM 465 CD2 HIS A 34 3.386 -8.017 3.487 1.00 0.00 C ATOM 466 CE1 HIS A 34 5.531 -7.813 3.085 1.00 0.00 C ATOM 467 NE2 HIS A 34 4.647 -8.393 3.877 1.00 0.00 N ATOM 0 H HIS A 34 1.357 -8.120 -0.526 1.00 0.00 H new ATOM 0 HA HIS A 34 0.905 -7.710 2.344 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.929 -6.237 0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.249 -5.528 2.078 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.456 -8.326 3.941 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.604 -7.921 3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.866 -9.019 4.652 1.00 0.00 H new ATOM 475 N SER A 35 -0.978 -6.278 1.656 1.00 0.00 N ATOM 476 CA SER A 35 -2.113 -5.442 1.285 1.00 0.00 C ATOM 477 C SER A 35 -2.119 -4.145 2.089 1.00 0.00 C ATOM 478 O SER A 35 -1.540 -4.070 3.173 1.00 0.00 O ATOM 479 CB SER A 35 -3.424 -6.198 1.508 1.00 0.00 C ATOM 480 OG SER A 35 -3.837 -6.116 2.861 1.00 0.00 O ATOM 0 H SER A 35 -1.091 -6.775 2.540 1.00 0.00 H new ATOM 0 HA SER A 35 -2.019 -5.194 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.199 -5.786 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.297 -7.243 1.226 1.00 0.00 H new ATOM 0 HG SER A 35 -4.429 -6.869 3.068 1.00 0.00 H new ATOM 486 N PHE A 36 -2.776 -3.124 1.548 1.00 0.00 N ATOM 487 CA PHE A 36 -2.857 -1.829 2.212 1.00 0.00 C ATOM 488 C PHE A 36 -4.139 -1.097 1.825 1.00 0.00 C ATOM 489 O PHE A 36 -4.548 -1.111 0.663 1.00 0.00 O ATOM 490 CB PHE A 36 -1.640 -0.972 1.856 1.00 0.00 C ATOM 491 CG PHE A 36 -0.337 -1.713 1.952 1.00 0.00 C ATOM 492 CD1 PHE A 36 0.026 -2.632 0.981 1.00 0.00 C ATOM 493 CD2 PHE A 36 0.525 -1.490 3.014 1.00 0.00 C ATOM 494 CE1 PHE A 36 1.225 -3.315 1.067 1.00 0.00 C ATOM 495 CE2 PHE A 36 1.725 -2.169 3.105 1.00 0.00 C ATOM 496 CZ PHE A 36 2.075 -3.084 2.131 1.00 0.00 C ATOM 0 H PHE A 36 -3.260 -3.169 0.651 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.869 -2.002 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.758 -0.591 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.607 -0.108 2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.635 -2.817 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.256 -0.777 3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.497 -4.028 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.389 -1.985 3.937 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.011 -3.618 2.201 1.00 0.00 H new ATOM 506 N CYS A 37 -4.769 -0.460 2.806 1.00 0.00 N ATOM 507 CA CYS A 37 -6.005 0.276 2.570 1.00 0.00 C ATOM 508 C CYS A 37 -5.717 1.750 2.302 1.00 0.00 C ATOM 509 O CYS A 37 -4.696 2.282 2.736 1.00 0.00 O ATOM 510 CB CYS A 37 -6.943 0.138 3.771 1.00 0.00 C ATOM 511 SG CYS A 37 -6.346 0.967 5.279 1.00 0.00 S ATOM 0 H CYS A 37 -4.444 -0.439 3.772 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.489 -0.148 1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.918 0.547 3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.089 -0.921 3.985 1.00 0.00 H new ATOM 516 N GLN A 38 -6.625 2.404 1.584 1.00 0.00 N ATOM 517 CA GLN A 38 -6.468 3.817 1.259 1.00 0.00 C ATOM 518 C GLN A 38 -6.050 4.616 2.488 1.00 0.00 C ATOM 519 O GLN A 38 -5.100 5.397 2.440 1.00 0.00 O ATOM 520 CB GLN A 38 -7.773 4.378 0.690 1.00 0.00 C ATOM 521 CG GLN A 38 -7.983 4.057 -0.781 1.00 0.00 C ATOM 522 CD GLN A 38 -7.097 4.884 -1.691 1.00 0.00 C ATOM 523 OE1 GLN A 38 -7.491 5.953 -2.157 1.00 0.00 O ATOM 524 NE2 GLN A 38 -5.891 4.392 -1.950 1.00 0.00 N ATOM 0 H GLN A 38 -7.476 1.978 1.217 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.683 3.906 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.610 3.980 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.782 5.460 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.784 2.999 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.027 4.230 -1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.605 3.502 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.251 4.904 -2.556 1.00 0.00 H new ATOM 533 N LYS A 39 -6.766 4.415 3.590 1.00 0.00 N ATOM 534 CA LYS A 39 -6.469 5.116 4.834 1.00 0.00 C ATOM 535 C LYS A 39 -4.971 5.105 5.120 1.00 0.00 C ATOM 536 O LYS A 39 -4.387 6.132 5.468 1.00 0.00 O ATOM 537 CB LYS A 39 -7.227 4.474 5.998 1.00 0.00 C ATOM 538 CG LYS A 39 -8.632 5.019 6.184 1.00 0.00 C ATOM 539 CD LYS A 39 -8.612 6.442 6.717 1.00 0.00 C ATOM 540 CE LYS A 39 -10.013 7.027 6.799 1.00 0.00 C ATOM 541 NZ LYS A 39 -10.820 6.385 7.873 1.00 0.00 N ATOM 0 H LYS A 39 -7.556 3.772 3.647 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.792 6.151 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.283 3.398 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.662 4.628 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.162 4.994 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.183 4.379 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.153 6.455 7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.994 7.065 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.949 8.099 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.517 6.899 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.751 6.846 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.946 5.376 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.328 6.485 8.784 1.00 0.00 H new ATOM 555 N CYS A 40 -4.353 3.938 4.972 1.00 0.00 N ATOM 556 CA CYS A 40 -2.923 3.793 5.214 1.00 0.00 C ATOM 557 C CYS A 40 -2.115 4.337 4.040 1.00 0.00 C ATOM 558 O CYS A 40 -1.440 5.361 4.159 1.00 0.00 O ATOM 559 CB CYS A 40 -2.571 2.323 5.451 1.00 0.00 C ATOM 560 SG CYS A 40 -3.138 1.672 7.055 1.00 0.00 S ATOM 0 H CYS A 40 -4.821 3.078 4.685 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.671 4.369 6.105 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.007 1.723 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.490 2.204 5.385 1.00 0.00 H new ATOM 565 N ILE A 41 -2.189 3.647 2.907 1.00 0.00 N ATOM 566 CA ILE A 41 -1.466 4.062 1.711 1.00 0.00 C ATOM 567 C ILE A 41 -1.519 5.576 1.535 1.00 0.00 C ATOM 568 O ILE A 41 -0.595 6.181 0.990 1.00 0.00 O ATOM 569 CB ILE A 41 -2.033 3.389 0.448 1.00 0.00 C ATOM 570 CG1 ILE A 41 -1.894 1.869 0.547 1.00 0.00 C ATOM 571 CG2 ILE A 41 -1.326 3.911 -0.794 1.00 0.00 C ATOM 572 CD1 ILE A 41 -2.502 1.129 -0.624 1.00 0.00 C ATOM 0 H ILE A 41 -2.742 2.798 2.792 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.430 3.750 1.844 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.092 3.634 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.837 1.613 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.368 1.528 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.738 3.425 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.472 4.988 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.260 3.694 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.366 0.056 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.567 1.355 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.012 1.441 -1.546 1.00 0.00 H new ATOM 584 N ASP A 42 -2.605 6.183 2.000 1.00 0.00 N ATOM 585 CA ASP A 42 -2.778 7.627 1.897 1.00 0.00 C ATOM 586 C ASP A 42 -1.955 8.350 2.959 1.00 0.00 C ATOM 587 O ASP A 42 -1.289 9.346 2.673 1.00 0.00 O ATOM 588 CB ASP A 42 -4.255 7.997 2.039 1.00 0.00 C ATOM 589 CG ASP A 42 -4.531 9.437 1.654 1.00 0.00 C ATOM 590 OD1 ASP A 42 -3.970 10.343 2.304 1.00 0.00 O ATOM 591 OD2 ASP A 42 -5.308 9.657 0.701 1.00 0.00 O ATOM 0 H ASP A 42 -3.379 5.697 2.452 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.426 7.941 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.854 7.336 1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.570 7.833 3.069 1.00 0.00 H new ATOM 596 N LYS A 43 -2.007 7.844 4.186 1.00 0.00 N ATOM 597 CA LYS A 43 -1.267 8.440 5.292 1.00 0.00 C ATOM 598 C LYS A 43 0.224 8.503 4.978 1.00 0.00 C ATOM 599 O LYS A 43 0.827 9.576 4.995 1.00 0.00 O ATOM 600 CB LYS A 43 -1.495 7.640 6.576 1.00 0.00 C ATOM 601 CG LYS A 43 -1.260 8.443 7.843 1.00 0.00 C ATOM 602 CD LYS A 43 -1.835 7.742 9.063 1.00 0.00 C ATOM 603 CE LYS A 43 -1.008 6.525 9.448 1.00 0.00 C ATOM 604 NZ LYS A 43 -1.652 5.739 10.537 1.00 0.00 N ATOM 0 H LYS A 43 -2.554 7.022 4.440 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.634 9.456 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.517 7.260 6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.833 6.774 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.190 8.599 7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.715 9.428 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.871 8.438 9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.861 7.436 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.869 5.889 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.017 6.846 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.058 4.918 10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.761 6.338 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.587 5.411 10.222 1.00 0.00 H new ATOM 618 N TRP A 44 0.812 7.347 4.690 1.00 0.00 N ATOM 619 CA TRP A 44 2.234 7.272 4.371 1.00 0.00 C ATOM 620 C TRP A 44 2.461 7.398 2.868 1.00 0.00 C ATOM 621 O TRP A 44 1.887 6.648 2.079 1.00 0.00 O ATOM 622 CB TRP A 44 2.822 5.955 4.879 1.00 0.00 C ATOM 623 CG TRP A 44 2.285 4.750 4.167 1.00 0.00 C ATOM 624 CD1 TRP A 44 1.247 3.958 4.566 1.00 0.00 C ATOM 625 CD2 TRP A 44 2.761 4.200 2.934 1.00 0.00 C ATOM 626 NE1 TRP A 44 1.049 2.949 3.655 1.00 0.00 N ATOM 627 CE2 TRP A 44 1.964 3.076 2.644 1.00 0.00 C ATOM 628 CE3 TRP A 44 3.782 4.550 2.046 1.00 0.00 C ATOM 629 CZ2 TRP A 44 2.159 2.300 1.505 1.00 0.00 C ATOM 630 CZ3 TRP A 44 3.974 3.778 0.915 1.00 0.00 C ATOM 631 CH2 TRP A 44 3.165 2.665 0.652 1.00 0.00 C ATOM 0 H TRP A 44 0.327 6.450 4.671 1.00 0.00 H new ATOM 0 HA TRP A 44 2.737 8.102 4.867 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.906 5.982 4.766 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.615 5.860 5.945 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.667 4.103 5.465 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.336 2.223 3.721 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.409 5.408 2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.538 1.440 1.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.761 4.038 0.223 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.339 2.084 -0.241 1.00 0.00 H new ATOM 642 N SER A 45 3.302 8.351 2.480 1.00 0.00 N ATOM 643 CA SER A 45 3.603 8.578 1.071 1.00 0.00 C ATOM 644 C SER A 45 5.110 8.631 0.838 1.00 0.00 C ATOM 645 O SER A 45 5.773 9.597 1.216 1.00 0.00 O ATOM 646 CB SER A 45 2.955 9.879 0.592 1.00 0.00 C ATOM 647 OG SER A 45 1.575 9.910 0.914 1.00 0.00 O ATOM 0 H SER A 45 3.787 8.978 3.121 1.00 0.00 H new ATOM 0 HA SER A 45 3.194 7.745 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.458 10.730 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.082 9.977 -0.486 1.00 0.00 H new ATOM 0 HG SER A 45 1.184 10.752 0.599 1.00 0.00 H new ATOM 653 N ASP A 46 5.643 7.586 0.215 1.00 0.00 N ATOM 654 CA ASP A 46 7.071 7.513 -0.070 1.00 0.00 C ATOM 655 C ASP A 46 7.353 7.856 -1.529 1.00 0.00 C ATOM 656 O ASP A 46 6.746 7.290 -2.438 1.00 0.00 O ATOM 657 CB ASP A 46 7.606 6.117 0.251 1.00 0.00 C ATOM 658 CG ASP A 46 7.687 5.857 1.743 1.00 0.00 C ATOM 659 OD1 ASP A 46 6.639 5.934 2.416 1.00 0.00 O ATOM 660 OD2 ASP A 46 8.800 5.577 2.237 1.00 0.00 O ATOM 0 H ASP A 46 5.108 6.778 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 46 7.579 8.243 0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.962 5.369 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.596 6.000 -0.190 1.00 0.00 H new ATOM 665 N ARG A 47 8.276 8.787 -1.746 1.00 0.00 N ATOM 666 CA ARG A 47 8.636 9.207 -3.094 1.00 0.00 C ATOM 667 C ARG A 47 8.682 8.012 -4.042 1.00 0.00 C ATOM 668 O ARG A 47 8.182 8.077 -5.165 1.00 0.00 O ATOM 669 CB ARG A 47 9.991 9.918 -3.085 1.00 0.00 C ATOM 670 CG ARG A 47 9.890 11.419 -2.873 1.00 0.00 C ATOM 671 CD ARG A 47 11.197 12.119 -3.213 1.00 0.00 C ATOM 672 NE ARG A 47 11.254 12.522 -4.615 1.00 0.00 N ATOM 673 CZ ARG A 47 12.383 12.807 -5.253 1.00 0.00 C ATOM 674 NH1 ARG A 47 13.544 12.732 -4.618 1.00 0.00 N ATOM 675 NH2 ARG A 47 12.353 13.166 -6.530 1.00 0.00 N ATOM 0 H ARG A 47 8.788 9.265 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 47 7.873 9.900 -3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.611 9.489 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.498 9.727 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.088 11.822 -3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.625 11.624 -1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.313 12.998 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.032 11.454 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 47 10.378 12.588 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.572 12.455 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.410 12.951 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.462 13.223 -7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.221 13.385 -7.019 1.00 0.00 H new ATOM 689 N HIS A 48 9.287 6.921 -3.581 1.00 0.00 N ATOM 690 CA HIS A 48 9.398 5.711 -4.388 1.00 0.00 C ATOM 691 C HIS A 48 8.211 4.785 -4.144 1.00 0.00 C ATOM 692 O HIS A 48 7.498 4.921 -3.150 1.00 0.00 O ATOM 693 CB HIS A 48 10.703 4.980 -4.071 1.00 0.00 C ATOM 694 CG HIS A 48 11.889 5.890 -3.965 1.00 0.00 C ATOM 695 ND1 HIS A 48 12.772 5.855 -2.907 1.00 0.00 N ATOM 696 CD2 HIS A 48 12.335 6.862 -4.795 1.00 0.00 C ATOM 697 CE1 HIS A 48 13.710 6.768 -3.090 1.00 0.00 C ATOM 698 NE2 HIS A 48 13.468 7.393 -4.228 1.00 0.00 N ATOM 0 H HIS A 48 9.707 6.850 -2.654 1.00 0.00 H new ATOM 0 HA HIS A 48 9.399 6.003 -5.438 1.00 0.00 H new ATOM 0 HB2 HIS A 48 10.587 4.437 -3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.892 4.239 -4.847 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.884 7.164 -5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 48 14.535 6.969 -2.422 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.031 8.147 -4.622 1.00 0.00 H new ATOM 706 N ARG A 49 8.004 3.843 -5.059 1.00 0.00 N ATOM 707 CA ARG A 49 6.902 2.896 -4.944 1.00 0.00 C ATOM 708 C ARG A 49 7.353 1.619 -4.240 1.00 0.00 C ATOM 709 O ARG A 49 6.868 0.529 -4.540 1.00 0.00 O ATOM 710 CB ARG A 49 6.345 2.558 -6.329 1.00 0.00 C ATOM 711 CG ARG A 49 7.371 1.933 -7.261 1.00 0.00 C ATOM 712 CD ARG A 49 7.378 0.417 -7.146 1.00 0.00 C ATOM 713 NE ARG A 49 7.770 -0.225 -8.398 1.00 0.00 N ATOM 714 CZ ARG A 49 9.008 -0.202 -8.879 1.00 0.00 C ATOM 715 NH1 ARG A 49 9.969 0.428 -8.216 1.00 0.00 N ATOM 716 NH2 ARG A 49 9.288 -0.810 -10.025 1.00 0.00 N ATOM 0 H ARG A 49 8.585 3.716 -5.888 1.00 0.00 H new ATOM 0 HA ARG A 49 6.117 3.361 -4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.504 1.874 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.956 3.468 -6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.152 2.220 -8.290 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.362 2.321 -7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.064 0.117 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.386 0.071 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 49 7.054 -0.718 -8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.758 0.896 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.919 0.444 -8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.552 -1.296 -10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.239 -0.791 -10.393 1.00 0.00 H new ATOM 730 N ASN A 50 8.285 1.764 -3.304 1.00 0.00 N ATOM 731 CA ASN A 50 8.802 0.623 -2.558 1.00 0.00 C ATOM 732 C ASN A 50 7.822 0.193 -1.471 1.00 0.00 C ATOM 733 O ASN A 50 6.949 0.962 -1.068 1.00 0.00 O ATOM 734 CB ASN A 50 10.156 0.967 -1.933 1.00 0.00 C ATOM 735 CG ASN A 50 10.051 2.073 -0.901 1.00 0.00 C ATOM 736 OD1 ASN A 50 8.987 2.662 -0.712 1.00 0.00 O ATOM 737 ND2 ASN A 50 11.159 2.361 -0.227 1.00 0.00 N ATOM 0 H ASN A 50 8.697 2.660 -3.044 1.00 0.00 H new ATOM 0 HA ASN A 50 8.930 -0.206 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.574 0.076 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.849 1.270 -2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.149 3.096 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.019 1.847 -0.416 1.00 0.00 H new ATOM 744 N CYS A 51 7.972 -1.041 -1.000 1.00 0.00 N ATOM 745 CA CYS A 51 7.101 -1.574 0.040 1.00 0.00 C ATOM 746 C CYS A 51 7.542 -1.092 1.419 1.00 0.00 C ATOM 747 O CYS A 51 8.715 -1.167 1.784 1.00 0.00 O ATOM 748 CB CYS A 51 7.099 -3.103 -0.001 1.00 0.00 C ATOM 749 SG CYS A 51 5.997 -3.879 1.224 1.00 0.00 S ATOM 0 H CYS A 51 8.689 -1.690 -1.323 1.00 0.00 H new ATOM 0 HA CYS A 51 6.090 -1.211 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.802 -3.429 -0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.115 -3.461 0.162 1.00 0.00 H new ATOM 754 N PRO A 52 6.580 -0.584 2.204 1.00 0.00 N ATOM 755 CA PRO A 52 6.844 -0.081 3.555 1.00 0.00 C ATOM 756 C PRO A 52 7.189 -1.199 4.533 1.00 0.00 C ATOM 757 O PRO A 52 8.186 -1.121 5.252 1.00 0.00 O ATOM 758 CB PRO A 52 5.524 0.587 3.949 1.00 0.00 C ATOM 759 CG PRO A 52 4.490 -0.107 3.131 1.00 0.00 C ATOM 760 CD PRO A 52 5.160 -0.464 1.833 1.00 0.00 C ATOM 0 HA PRO A 52 7.701 0.591 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.326 0.475 5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.543 1.656 3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.124 -0.999 3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.629 0.539 2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.771 -1.396 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.006 0.305 1.076 1.00 0.00 H new ATOM 768 N ILE A 53 6.360 -2.236 4.554 1.00 0.00 N ATOM 769 CA ILE A 53 6.579 -3.370 5.444 1.00 0.00 C ATOM 770 C ILE A 53 7.948 -3.999 5.206 1.00 0.00 C ATOM 771 O ILE A 53 8.799 -4.017 6.096 1.00 0.00 O ATOM 772 CB ILE A 53 5.493 -4.447 5.261 1.00 0.00 C ATOM 773 CG1 ILE A 53 4.112 -3.868 5.573 1.00 0.00 C ATOM 774 CG2 ILE A 53 5.783 -5.648 6.149 1.00 0.00 C ATOM 775 CD1 ILE A 53 2.972 -4.690 5.014 1.00 0.00 C ATOM 0 H ILE A 53 5.531 -2.315 3.965 1.00 0.00 H new ATOM 0 HA ILE A 53 6.530 -2.986 6.463 1.00 0.00 H new ATOM 0 HB ILE A 53 5.501 -4.777 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.996 -3.788 6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.052 -2.857 5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.007 -6.400 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.751 -6.072 5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.799 -5.334 7.193 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.023 -4.220 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.063 -4.748 3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.007 -5.695 5.436 1.00 0.00 H new ATOM 787 N CYS A 54 8.155 -4.513 3.998 1.00 0.00 N ATOM 788 CA CYS A 54 9.420 -5.142 3.641 1.00 0.00 C ATOM 789 C CYS A 54 10.599 -4.271 4.065 1.00 0.00 C ATOM 790 O CYS A 54 11.604 -4.772 4.571 1.00 0.00 O ATOM 791 CB CYS A 54 9.479 -5.399 2.134 1.00 0.00 C ATOM 792 SG CYS A 54 8.441 -6.789 1.575 1.00 0.00 S ATOM 0 H CYS A 54 7.462 -4.506 3.250 1.00 0.00 H new ATOM 0 HA CYS A 54 9.485 -6.094 4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.170 -4.495 1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.513 -5.594 1.850 1.00 0.00 H new ATOM 797 N ARG A 55 10.469 -2.966 3.856 1.00 0.00 N ATOM 798 CA ARG A 55 11.523 -2.025 4.216 1.00 0.00 C ATOM 799 C ARG A 55 11.964 -2.230 5.662 1.00 0.00 C ATOM 800 O ARG A 55 13.159 -2.294 5.955 1.00 0.00 O ATOM 801 CB ARG A 55 11.042 -0.586 4.017 1.00 0.00 C ATOM 802 CG ARG A 55 12.164 0.395 3.718 1.00 0.00 C ATOM 803 CD ARG A 55 12.453 0.472 2.227 1.00 0.00 C ATOM 804 NE ARG A 55 13.464 1.480 1.917 1.00 0.00 N ATOM 805 CZ ARG A 55 14.769 1.283 2.073 1.00 0.00 C ATOM 806 NH1 ARG A 55 15.218 0.123 2.531 1.00 0.00 N ATOM 807 NH2 ARG A 55 15.627 2.249 1.769 1.00 0.00 N ATOM 0 H ARG A 55 9.644 -2.535 3.439 1.00 0.00 H new ATOM 0 HA ARG A 55 12.377 -2.208 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.322 -0.562 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.515 -0.260 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.893 1.384 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.066 0.091 4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.791 -0.502 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.533 0.704 1.691 1.00 0.00 H new ATOM 0 HE ARG A 55 13.151 2.384 1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.561 -0.622 2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.220 -0.025 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.285 3.143 1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.629 2.098 1.889 1.00 0.00 H new ATOM 821 N LEU A 56 10.993 -2.332 6.562 1.00 0.00 N ATOM 822 CA LEU A 56 11.280 -2.530 7.979 1.00 0.00 C ATOM 823 C LEU A 56 11.918 -3.894 8.220 1.00 0.00 C ATOM 824 O LEU A 56 12.881 -4.014 8.977 1.00 0.00 O ATOM 825 CB LEU A 56 9.998 -2.401 8.803 1.00 0.00 C ATOM 826 CG LEU A 56 9.207 -1.106 8.615 1.00 0.00 C ATOM 827 CD1 LEU A 56 7.862 -1.195 9.321 1.00 0.00 C ATOM 828 CD2 LEU A 56 10.003 0.084 9.129 1.00 0.00 C ATOM 0 H LEU A 56 10.000 -2.281 6.336 1.00 0.00 H new ATOM 0 HA LEU A 56 11.984 -1.759 8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.347 -3.240 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.257 -2.495 9.858 1.00 0.00 H new ATOM 0 HG LEU A 56 9.026 -0.964 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.313 -0.265 9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.288 -2.023 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.021 -1.361 10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.425 0.997 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.214 -0.051 10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.941 0.159 8.579 1.00 0.00 H new ATOM 840 N GLN A 57 11.376 -4.919 7.569 1.00 0.00 N ATOM 841 CA GLN A 57 11.894 -6.274 7.712 1.00 0.00 C ATOM 842 C GLN A 57 12.927 -6.579 6.632 1.00 0.00 C ATOM 843 O GLN A 57 12.592 -7.110 5.573 1.00 0.00 O ATOM 844 CB GLN A 57 10.752 -7.289 7.644 1.00 0.00 C ATOM 845 CG GLN A 57 9.799 -7.213 8.826 1.00 0.00 C ATOM 846 CD GLN A 57 10.521 -7.220 10.159 1.00 0.00 C ATOM 847 OE1 GLN A 57 11.109 -8.227 10.555 1.00 0.00 O ATOM 848 NE2 GLN A 57 10.481 -6.093 10.861 1.00 0.00 N ATOM 0 H GLN A 57 10.579 -4.836 6.938 1.00 0.00 H new ATOM 0 HA GLN A 57 12.380 -6.349 8.685 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.190 -7.130 6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.172 -8.293 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.199 -6.306 8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.109 -8.056 8.786 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.982 -5.282 10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.949 -6.039 11.766 1.00 0.00 H new ATOM 857 N MET A 58 14.182 -6.240 6.907 1.00 0.00 N ATOM 858 CA MET A 58 15.263 -6.479 5.958 1.00 0.00 C ATOM 859 C MET A 58 15.731 -7.929 6.021 1.00 0.00 C ATOM 860 O MET A 58 15.891 -8.586 4.992 1.00 0.00 O ATOM 861 CB MET A 58 16.437 -5.539 6.242 1.00 0.00 C ATOM 862 CG MET A 58 17.588 -5.691 5.261 1.00 0.00 C ATOM 863 SD MET A 58 17.081 -5.430 3.550 1.00 0.00 S ATOM 864 CE MET A 58 17.745 -6.900 2.772 1.00 0.00 C ATOM 0 H MET A 58 14.475 -5.799 7.779 1.00 0.00 H new ATOM 0 HA MET A 58 14.883 -6.282 4.956 1.00 0.00 H new ATOM 0 HB2 MET A 58 16.082 -4.509 6.216 1.00 0.00 H new ATOM 0 HB3 MET A 58 16.804 -5.724 7.252 1.00 0.00 H new ATOM 0 HG2 MET A 58 18.374 -4.980 5.516 1.00 0.00 H new ATOM 0 HG3 MET A 58 18.016 -6.688 5.361 1.00 0.00 H new ATOM 0 HE1 MET A 58 17.919 -6.705 1.714 1.00 0.00 H new ATOM 0 HE2 MET A 58 18.686 -7.171 3.250 1.00 0.00 H new ATOM 0 HE3 MET A 58 17.035 -7.720 2.877 1.00 0.00 H new ATOM 874 N THR A 59 15.949 -8.424 7.235 1.00 0.00 N ATOM 875 CA THR A 59 16.400 -9.796 7.432 1.00 0.00 C ATOM 876 C THR A 59 15.703 -10.748 6.467 1.00 0.00 C ATOM 877 O THR A 59 14.622 -10.452 5.960 1.00 0.00 O ATOM 878 CB THR A 59 16.146 -10.269 8.876 1.00 0.00 C ATOM 879 OG1 THR A 59 16.710 -11.571 9.071 1.00 0.00 O ATOM 880 CG2 THR A 59 14.656 -10.306 9.178 1.00 0.00 C ATOM 0 H THR A 59 15.820 -7.895 8.097 1.00 0.00 H new ATOM 0 HA THR A 59 17.472 -9.807 7.237 1.00 0.00 H new ATOM 0 HB THR A 59 16.621 -9.562 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.546 -11.864 9.992 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.501 -10.643 10.203 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.235 -9.308 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.163 -10.994 8.491 1.00 0.00 H new ATOM 888 N GLY A 60 16.329 -11.894 6.216 1.00 0.00 N ATOM 889 CA GLY A 60 15.753 -12.872 5.312 1.00 0.00 C ATOM 890 C GLY A 60 15.776 -12.411 3.869 1.00 0.00 C ATOM 891 O GLY A 60 16.693 -11.706 3.449 1.00 0.00 O ATOM 0 H GLY A 60 17.225 -12.162 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.301 -13.810 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.724 -13.075 5.609 1.00 0.00 H new ATOM 895 N ALA A 61 14.763 -12.811 3.106 1.00 0.00 N ATOM 896 CA ALA A 61 14.670 -12.434 1.701 1.00 0.00 C ATOM 897 C ALA A 61 13.270 -12.690 1.155 1.00 0.00 C ATOM 898 O ALA A 61 12.435 -13.298 1.824 1.00 0.00 O ATOM 899 CB ALA A 61 15.705 -13.191 0.882 1.00 0.00 C ATOM 0 H ALA A 61 13.996 -13.396 3.438 1.00 0.00 H new ATOM 0 HA ALA A 61 14.872 -11.366 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.624 -12.900 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.704 -12.954 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.530 -14.263 0.975 1.00 0.00 H new ATOM 905 N ASN A 62 13.019 -12.222 -0.063 1.00 0.00 N ATOM 906 CA ASN A 62 11.719 -12.400 -0.698 1.00 0.00 C ATOM 907 C ASN A 62 11.558 -13.824 -1.221 1.00 0.00 C ATOM 908 O ASN A 62 10.640 -14.541 -0.824 1.00 0.00 O ATOM 909 CB ASN A 62 11.547 -11.402 -1.845 1.00 0.00 C ATOM 910 CG ASN A 62 11.974 -9.999 -1.459 1.00 0.00 C ATOM 911 OD1 ASN A 62 13.142 -9.754 -1.159 1.00 0.00 O ATOM 912 ND2 ASN A 62 11.025 -9.069 -1.465 1.00 0.00 N ATOM 0 H ASN A 62 13.699 -11.716 -0.630 1.00 0.00 H new ATOM 0 HA ASN A 62 10.949 -12.218 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.132 -11.734 -2.703 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.503 -11.388 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.252 -8.107 -1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.069 -9.317 -1.721 1.00 0.00 H new ATOM 919 N GLU A 63 12.459 -14.227 -2.112 1.00 0.00 N ATOM 920 CA GLU A 63 12.417 -15.566 -2.688 1.00 0.00 C ATOM 921 C GLU A 63 12.039 -16.601 -1.632 1.00 0.00 C ATOM 922 O GLU A 63 12.267 -16.398 -0.440 1.00 0.00 O ATOM 923 CB GLU A 63 13.770 -15.922 -3.306 1.00 0.00 C ATOM 924 CG GLU A 63 13.779 -17.262 -4.023 1.00 0.00 C ATOM 925 CD GLU A 63 12.749 -17.336 -5.133 1.00 0.00 C ATOM 926 OE1 GLU A 63 12.871 -16.564 -6.107 1.00 0.00 O ATOM 927 OE2 GLU A 63 11.821 -18.165 -5.029 1.00 0.00 O ATOM 0 H GLU A 63 13.226 -13.646 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 63 11.656 -15.574 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.055 -15.141 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.526 -15.934 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.770 -17.440 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.589 -18.057 -3.302 1.00 0.00 H new ATOM 934 N SER A 64 11.461 -17.711 -2.080 1.00 0.00 N ATOM 935 CA SER A 64 11.047 -18.776 -1.175 1.00 0.00 C ATOM 936 C SER A 64 12.171 -19.133 -0.207 1.00 0.00 C ATOM 937 O SER A 64 13.284 -19.457 -0.623 1.00 0.00 O ATOM 938 CB SER A 64 10.629 -20.015 -1.969 1.00 0.00 C ATOM 939 OG SER A 64 9.337 -19.852 -2.526 1.00 0.00 O ATOM 0 H SER A 64 11.269 -17.896 -3.065 1.00 0.00 H new ATOM 0 HA SER A 64 10.194 -18.419 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.350 -20.201 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.640 -20.889 -1.318 1.00 0.00 H new ATOM 0 HG SER A 64 9.094 -20.657 -3.030 1.00 0.00 H new ATOM 945 N SER A 65 11.872 -19.072 1.086 1.00 0.00 N ATOM 946 CA SER A 65 12.857 -19.385 2.115 1.00 0.00 C ATOM 947 C SER A 65 13.185 -20.875 2.117 1.00 0.00 C ATOM 948 O SER A 65 12.299 -21.718 1.988 1.00 0.00 O ATOM 949 CB SER A 65 12.340 -18.963 3.492 1.00 0.00 C ATOM 950 OG SER A 65 12.166 -17.558 3.563 1.00 0.00 O ATOM 0 H SER A 65 10.955 -18.809 1.447 1.00 0.00 H new ATOM 0 HA SER A 65 13.768 -18.830 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.392 -19.461 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.041 -19.285 4.262 1.00 0.00 H new ATOM 0 HG SER A 65 11.833 -17.314 4.452 1.00 0.00 H new ATOM 956 N GLY A 66 14.468 -21.192 2.266 1.00 0.00 N ATOM 957 CA GLY A 66 14.893 -22.579 2.282 1.00 0.00 C ATOM 958 C GLY A 66 15.760 -22.934 1.091 1.00 0.00 C ATOM 959 O GLY A 66 15.727 -22.273 0.053 1.00 0.00 O ATOM 0 H GLY A 66 15.220 -20.512 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.445 -22.776 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.015 -23.225 2.293 1.00 0.00 H new ATOM 963 N PRO A 67 16.560 -24.002 1.233 1.00 0.00 N ATOM 964 CA PRO A 67 17.456 -24.467 0.170 1.00 0.00 C ATOM 965 C PRO A 67 16.696 -25.071 -1.005 1.00 0.00 C ATOM 966 O PRO A 67 16.081 -26.130 -0.881 1.00 0.00 O ATOM 967 CB PRO A 67 18.304 -25.535 0.864 1.00 0.00 C ATOM 968 CG PRO A 67 17.456 -26.022 1.988 1.00 0.00 C ATOM 969 CD PRO A 67 16.651 -24.837 2.443 1.00 0.00 C ATOM 0 HA PRO A 67 18.039 -23.652 -0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 67 18.558 -26.345 0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.243 -25.119 1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 67 16.806 -26.834 1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.070 -26.411 2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.665 -25.134 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.141 -24.308 3.260 1.00 0.00 H new ATOM 977 N SER A 68 16.744 -24.391 -2.147 1.00 0.00 N ATOM 978 CA SER A 68 16.057 -24.860 -3.345 1.00 0.00 C ATOM 979 C SER A 68 16.401 -26.318 -3.633 1.00 0.00 C ATOM 980 O SER A 68 15.516 -27.167 -3.741 1.00 0.00 O ATOM 981 CB SER A 68 16.429 -23.989 -4.546 1.00 0.00 C ATOM 982 OG SER A 68 17.836 -23.905 -4.699 1.00 0.00 O ATOM 0 H SER A 68 17.251 -23.514 -2.267 1.00 0.00 H new ATOM 0 HA SER A 68 14.984 -24.786 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.986 -24.404 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.014 -22.990 -4.417 1.00 0.00 H new ATOM 0 HG SER A 68 18.048 -23.344 -5.474 1.00 0.00 H new ATOM 988 N SER A 69 17.694 -26.601 -3.757 1.00 0.00 N ATOM 989 CA SER A 69 18.157 -27.955 -4.037 1.00 0.00 C ATOM 990 C SER A 69 17.763 -28.383 -5.448 1.00 0.00 C ATOM 991 O SER A 69 17.331 -29.514 -5.668 1.00 0.00 O ATOM 992 CB SER A 69 17.579 -28.935 -3.015 1.00 0.00 C ATOM 993 OG SER A 69 18.236 -30.189 -3.083 1.00 0.00 O ATOM 0 H SER A 69 18.439 -25.910 -3.668 1.00 0.00 H new ATOM 0 HA SER A 69 19.245 -27.963 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.681 -28.521 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.513 -29.069 -3.198 1.00 0.00 H new ATOM 0 HG SER A 69 18.189 -30.534 -3.999 1.00 0.00 H new ATOM 999 N GLY A 70 17.915 -27.469 -6.401 1.00 0.00 N ATOM 1000 CA GLY A 70 17.571 -27.769 -7.779 1.00 0.00 C ATOM 1001 C GLY A 70 18.681 -27.406 -8.746 1.00 0.00 C ATOM 1002 O GLY A 70 19.493 -26.539 -8.427 1.00 0.00 O ATOM 0 H GLY A 70 18.270 -26.526 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 70 17.346 -28.832 -7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.665 -27.227 -8.050 1.00 0.00 H new TER 1006 GLY A 70 HETATM 1007 ZN ZN A 201 -4.730 0.128 6.494 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 6.249 -6.145 1.025 1.00 0.00 ZN