USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 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 41 THR OG1 : rot 157:sc= 0.425 USER MOD Set 1.2: A 49 THR OG1 : rot 104:sc= 0.457 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0837 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.3) USER MOD Single : A 21 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-0.8) USER MOD Single : A 24 SER OG : rot -98:sc= 0.223 USER MOD Single : A 26 HIS : no HE2:sc= 0.121 K(o=0.12,f=-3.3!) USER MOD Single : A 36 SER OG : rot -145:sc= 0.18 USER MOD Single : A 37 ASN : amide:sc= 0.149 K(o=0.15,f=-6.6!) USER MOD Single : A 39 GLN : amide:sc= -0.831 X(o=-0.83,f=-0.46) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -12.928 -0.645 -0.264 1.00 0.00 N ATOM 29 CA CYS A 3 -11.603 -1.225 -0.174 1.00 0.00 C ATOM 30 C CYS A 3 -11.486 -2.438 -1.102 1.00 0.00 C ATOM 31 O CYS A 3 -11.679 -3.579 -0.674 1.00 0.00 O ATOM 32 CB CYS A 3 -11.322 -1.611 1.280 1.00 0.00 C ATOM 33 SG CYS A 3 -12.642 -2.523 2.124 1.00 0.00 S ATOM 0 HA CYS A 3 -10.860 -0.494 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.415 -2.215 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.117 -0.701 1.844 1.00 0.00 H new ATOM 38 N PRO A 4 -11.171 -2.208 -2.383 1.00 0.00 N ATOM 39 CA PRO A 4 -11.000 -3.251 -3.380 1.00 0.00 C ATOM 40 C PRO A 4 -9.689 -4.011 -3.166 1.00 0.00 C ATOM 41 O PRO A 4 -8.887 -3.660 -2.302 1.00 0.00 O ATOM 42 CB PRO A 4 -11.006 -2.518 -4.722 1.00 0.00 C ATOM 43 CG PRO A 4 -10.399 -1.162 -4.366 1.00 0.00 C ATOM 44 CD PRO A 4 -10.952 -0.894 -2.966 1.00 0.00 C ATOM 0 HA PRO A 4 -11.788 -4.002 -3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.414 -3.042 -5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.014 -2.417 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.309 -1.194 -4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.698 -0.388 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.249 -0.311 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.880 -0.324 -3.012 1.00 0.00 H new ATOM 52 N THR A 5 -9.474 -5.059 -3.966 1.00 0.00 N ATOM 53 CA THR A 5 -8.277 -5.890 -3.876 1.00 0.00 C ATOM 54 C THR A 5 -7.504 -5.821 -5.188 1.00 0.00 C ATOM 55 O THR A 5 -8.035 -6.184 -6.237 1.00 0.00 O ATOM 56 CB THR A 5 -8.669 -7.341 -3.582 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.555 -7.393 -2.485 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.433 -8.171 -3.252 1.00 0.00 C ATOM 0 H THR A 5 -10.126 -5.353 -4.693 1.00 0.00 H new ATOM 0 HA THR A 5 -7.647 -5.521 -3.067 1.00 0.00 H new ATOM 0 HB THR A 5 -9.155 -7.747 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.801 -8.325 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.730 -9.199 -3.046 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.747 -8.154 -4.099 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.938 -7.753 -2.375 1.00 0.00 H new ATOM 66 N ARG A 6 -6.253 -5.356 -5.136 1.00 0.00 N ATOM 67 CA ARG A 6 -5.378 -5.272 -6.301 1.00 0.00 C ATOM 68 C ARG A 6 -3.942 -5.566 -5.875 1.00 0.00 C ATOM 69 O ARG A 6 -3.491 -5.057 -4.848 1.00 0.00 O ATOM 70 CB ARG A 6 -5.445 -3.862 -6.899 1.00 0.00 C ATOM 71 CG ARG A 6 -6.819 -3.496 -7.463 1.00 0.00 C ATOM 72 CD ARG A 6 -7.156 -4.342 -8.694 1.00 0.00 C ATOM 73 NE ARG A 6 -8.377 -3.861 -9.351 1.00 0.00 N ATOM 74 CZ ARG A 6 -9.613 -4.288 -9.079 1.00 0.00 C ATOM 75 NH1 ARG A 6 -9.832 -5.212 -8.151 1.00 0.00 N ATOM 76 NH2 ARG A 6 -10.650 -3.783 -9.744 1.00 0.00 N ATOM 0 H ARG A 6 -5.818 -5.025 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.701 -5.999 -7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.173 -3.138 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.703 -3.778 -7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.580 -3.644 -6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.836 -2.439 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.325 -4.311 -9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.285 -5.383 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.274 -3.146 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.049 -5.609 -7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.783 -5.525 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.500 -3.072 -10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.595 -4.107 -9.538 1.00 0.00 H new ATOM 90 N ARG A 7 -3.223 -6.381 -6.656 1.00 0.00 N ATOM 91 CA ARG A 7 -1.831 -6.732 -6.380 1.00 0.00 C ATOM 92 C ARG A 7 -0.963 -6.577 -7.629 1.00 0.00 C ATOM 93 O ARG A 7 0.261 -6.556 -7.524 1.00 0.00 O ATOM 94 CB ARG A 7 -1.748 -8.188 -5.898 1.00 0.00 C ATOM 95 CG ARG A 7 -2.418 -8.479 -4.552 1.00 0.00 C ATOM 96 CD ARG A 7 -1.634 -7.913 -3.361 1.00 0.00 C ATOM 97 NE ARG A 7 -1.889 -6.482 -3.167 1.00 0.00 N ATOM 98 CZ ARG A 7 -1.467 -5.768 -2.122 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.731 -6.326 -1.167 1.00 0.00 N ATOM 100 NH2 ARG A 7 -1.789 -4.482 -2.036 1.00 0.00 N ATOM 0 H ARG A 7 -3.595 -6.816 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.463 -6.056 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.201 -8.829 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.697 -8.470 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.423 -8.057 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.526 -9.557 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.907 -8.456 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.568 -8.073 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.429 -5.997 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.481 -7.313 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.416 -5.767 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.355 -4.048 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.471 -3.929 -1.240 1.00 0.00 H new ATOM 114 N GLY A 8 -1.586 -6.464 -8.806 1.00 0.00 N ATOM 115 CA GLY A 8 -0.889 -6.366 -10.082 1.00 0.00 C ATOM 116 C GLY A 8 -0.535 -4.924 -10.447 1.00 0.00 C ATOM 117 O GLY A 8 -0.136 -4.660 -11.578 1.00 0.00 O ATOM 0 H GLY A 8 -2.602 -6.438 -8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.023 -6.961 -10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.513 -6.793 -10.867 1.00 0.00 H new ATOM 121 N LEU A 9 -0.680 -3.990 -9.502 1.00 0.00 N ATOM 122 CA LEU A 9 -0.479 -2.570 -9.748 1.00 0.00 C ATOM 123 C LEU A 9 0.937 -2.260 -10.225 1.00 0.00 C ATOM 124 O LEU A 9 1.148 -1.258 -10.908 1.00 0.00 O ATOM 125 CB LEU A 9 -0.784 -1.811 -8.457 1.00 0.00 C ATOM 126 CG LEU A 9 -2.236 -2.010 -8.009 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.422 -1.405 -6.624 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.203 -1.331 -8.975 1.00 0.00 C ATOM 0 H LEU A 9 -0.942 -4.206 -8.540 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.151 -2.256 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.111 -2.149 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.592 -0.748 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.447 -3.079 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.454 -1.544 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.752 -1.897 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.194 -0.340 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.227 -1.487 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.991 -0.262 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.083 -1.758 -9.971 1.00 0.00 H new ATOM 140 N CYS A 10 1.910 -3.105 -9.877 1.00 0.00 N ATOM 141 CA CYS A 10 3.295 -2.917 -10.286 1.00 0.00 C ATOM 142 C CYS A 10 3.529 -3.362 -11.732 1.00 0.00 C ATOM 143 O CYS A 10 4.665 -3.329 -12.207 1.00 0.00 O ATOM 144 CB CYS A 10 4.218 -3.651 -9.313 1.00 0.00 C ATOM 145 SG CYS A 10 4.266 -2.922 -7.656 1.00 0.00 S ATOM 0 H CYS A 10 1.756 -3.935 -9.305 1.00 0.00 H new ATOM 0 HA CYS A 10 3.525 -1.852 -10.254 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.895 -4.689 -9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.228 -3.662 -9.724 1.00 0.00 H new ATOM 150 N VAL A 11 2.467 -3.777 -12.434 1.00 0.00 N ATOM 151 CA VAL A 11 2.555 -4.217 -13.822 1.00 0.00 C ATOM 152 C VAL A 11 1.559 -3.456 -14.698 1.00 0.00 C ATOM 153 O VAL A 11 1.778 -3.315 -15.899 1.00 0.00 O ATOM 154 CB VAL A 11 2.292 -5.727 -13.888 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.479 -6.258 -15.310 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.261 -6.479 -12.976 1.00 0.00 C ATOM 0 H VAL A 11 1.523 -3.815 -12.050 1.00 0.00 H new ATOM 0 HA VAL A 11 3.555 -4.008 -14.202 1.00 0.00 H new ATOM 0 HB VAL A 11 1.263 -5.888 -13.566 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.286 -7.331 -15.326 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.783 -5.754 -15.981 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.501 -6.068 -15.638 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.060 -7.549 -13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.285 -6.284 -13.294 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.129 -6.141 -11.948 1.00 0.00 H new ATOM 166 N THR A 12 0.466 -2.958 -14.110 1.00 0.00 N ATOM 167 CA THR A 12 -0.557 -2.234 -14.858 1.00 0.00 C ATOM 168 C THR A 12 -0.275 -0.738 -14.911 1.00 0.00 C ATOM 169 O THR A 12 -0.874 -0.031 -15.722 1.00 0.00 O ATOM 170 CB THR A 12 -1.934 -2.495 -14.250 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.928 -2.127 -12.889 1.00 0.00 O ATOM 172 CG2 THR A 12 -2.302 -3.973 -14.363 1.00 0.00 C ATOM 0 H THR A 12 0.270 -3.046 -13.113 1.00 0.00 H new ATOM 0 HA THR A 12 -0.539 -2.603 -15.883 1.00 0.00 H new ATOM 0 HB THR A 12 -2.669 -1.903 -14.795 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.812 -2.294 -12.501 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.286 -4.138 -13.924 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.320 -4.264 -15.413 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.563 -4.574 -13.832 1.00 0.00 H new ATOM 180 N SER A 13 0.626 -0.245 -14.055 1.00 0.00 N ATOM 181 CA SER A 13 1.007 1.162 -14.042 1.00 0.00 C ATOM 182 C SER A 13 2.403 1.357 -13.461 1.00 0.00 C ATOM 183 O SER A 13 3.166 2.198 -13.935 1.00 0.00 O ATOM 184 CB SER A 13 0.006 1.919 -13.173 1.00 0.00 C ATOM 185 OG SER A 13 0.223 3.313 -13.279 1.00 0.00 O ATOM 0 H SER A 13 1.107 -0.811 -13.356 1.00 0.00 H new ATOM 0 HA SER A 13 1.009 1.534 -15.067 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.011 1.677 -13.482 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.106 1.606 -12.134 1.00 0.00 H new ATOM 0 HG SER A 13 -0.425 3.789 -12.719 1.00 0.00 H new ATOM 191 N GLY A 14 2.732 0.575 -12.432 1.00 0.00 N ATOM 192 CA GLY A 14 4.024 0.628 -11.764 1.00 0.00 C ATOM 193 C GLY A 14 3.869 0.972 -10.283 1.00 0.00 C ATOM 194 O GLY A 14 2.772 0.908 -9.732 1.00 0.00 O ATOM 0 H GLY A 14 2.098 -0.120 -12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.528 -0.333 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.656 1.372 -12.248 1.00 0.00 H new ATOM 198 N LEU A 15 4.979 1.337 -9.641 1.00 0.00 N ATOM 199 CA LEU A 15 5.002 1.637 -8.218 1.00 0.00 C ATOM 200 C LEU A 15 4.067 2.799 -7.872 1.00 0.00 C ATOM 201 O LEU A 15 3.570 2.874 -6.749 1.00 0.00 O ATOM 202 CB LEU A 15 6.446 1.975 -7.836 1.00 0.00 C ATOM 203 CG LEU A 15 6.576 2.421 -6.378 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.099 1.340 -5.409 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.041 2.736 -6.077 1.00 0.00 C ATOM 0 H LEU A 15 5.886 1.432 -10.098 1.00 0.00 H new ATOM 0 HA LEU A 15 4.648 0.773 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.077 1.102 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.816 2.765 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 15 5.951 3.304 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.208 1.696 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.051 1.113 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.697 0.439 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.139 3.054 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.646 1.844 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.384 3.534 -6.735 1.00 0.00 H new ATOM 217 N THR A 16 3.811 3.702 -8.817 1.00 0.00 N ATOM 218 CA THR A 16 2.961 4.859 -8.567 1.00 0.00 C ATOM 219 C THR A 16 1.537 4.435 -8.218 1.00 0.00 C ATOM 220 O THR A 16 0.922 5.036 -7.341 1.00 0.00 O ATOM 221 CB THR A 16 2.964 5.772 -9.799 1.00 0.00 C ATOM 222 OG1 THR A 16 4.292 6.041 -10.186 1.00 0.00 O ATOM 223 CG2 THR A 16 2.266 7.094 -9.493 1.00 0.00 C ATOM 0 H THR A 16 4.183 3.652 -9.765 1.00 0.00 H new ATOM 0 HA THR A 16 3.360 5.405 -7.712 1.00 0.00 H new ATOM 0 HB THR A 16 2.432 5.263 -10.603 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.291 6.623 -10.974 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.280 7.727 -10.381 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.234 6.901 -9.200 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.785 7.600 -8.679 1.00 0.00 H new ATOM 231 N ALA A 17 1.001 3.403 -8.881 1.00 0.00 N ATOM 232 CA ALA A 17 -0.345 2.940 -8.583 1.00 0.00 C ATOM 233 C ALA A 17 -0.355 2.070 -7.333 1.00 0.00 C ATOM 234 O ALA A 17 -1.346 2.037 -6.607 1.00 0.00 O ATOM 235 CB ALA A 17 -0.885 2.172 -9.785 1.00 0.00 C ATOM 0 H ALA A 17 1.478 2.883 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.987 3.799 -8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.894 1.821 -9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.907 2.827 -10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.240 1.317 -9.990 1.00 0.00 H new ATOM 241 N CYS A 18 0.751 1.365 -7.070 1.00 0.00 N ATOM 242 CA CYS A 18 0.873 0.543 -5.880 1.00 0.00 C ATOM 243 C CYS A 18 0.943 1.426 -4.636 1.00 0.00 C ATOM 244 O CYS A 18 0.466 1.039 -3.571 1.00 0.00 O ATOM 245 CB CYS A 18 2.125 -0.326 -6.025 1.00 0.00 C ATOM 246 SG CYS A 18 2.508 -1.354 -4.585 1.00 0.00 S ATOM 0 H CYS A 18 1.573 1.353 -7.674 1.00 0.00 H new ATOM 0 HA CYS A 18 0.001 -0.102 -5.768 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.002 -0.973 -6.893 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.978 0.322 -6.228 1.00 0.00 H new ATOM 251 N ARG A 19 1.531 2.620 -4.761 1.00 0.00 N ATOM 252 CA ARG A 19 1.626 3.549 -3.648 1.00 0.00 C ATOM 253 C ARG A 19 0.301 4.271 -3.436 1.00 0.00 C ATOM 254 O ARG A 19 -0.083 4.546 -2.302 1.00 0.00 O ATOM 255 CB ARG A 19 2.760 4.537 -3.926 1.00 0.00 C ATOM 256 CG ARG A 19 3.106 5.314 -2.656 1.00 0.00 C ATOM 257 CD ARG A 19 4.300 6.231 -2.899 1.00 0.00 C ATOM 258 NE ARG A 19 4.694 6.904 -1.657 1.00 0.00 N ATOM 259 CZ ARG A 19 4.296 8.129 -1.299 1.00 0.00 C ATOM 260 NH1 ARG A 19 3.492 8.849 -2.081 1.00 0.00 N ATOM 261 NH2 ARG A 19 4.704 8.646 -0.145 1.00 0.00 N ATOM 0 H ARG A 19 1.947 2.960 -5.628 1.00 0.00 H new ATOM 0 HA ARG A 19 1.846 3.004 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.639 4.001 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.464 5.228 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.246 5.904 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.333 4.619 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.138 5.651 -3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.048 6.973 -3.657 1.00 0.00 H new ATOM 0 HE ARG A 19 5.315 6.402 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.169 8.467 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.199 9.782 -1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.319 8.108 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.402 9.580 0.130 1.00 0.00 H new ATOM 275 N ASN A 20 -0.403 4.574 -4.530 1.00 0.00 N ATOM 276 CA ASN A 20 -1.702 5.223 -4.456 1.00 0.00 C ATOM 277 C ASN A 20 -2.763 4.254 -3.919 1.00 0.00 C ATOM 278 O ASN A 20 -3.830 4.689 -3.489 1.00 0.00 O ATOM 279 CB ASN A 20 -2.093 5.729 -5.849 1.00 0.00 C ATOM 280 CG ASN A 20 -1.180 6.844 -6.342 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.359 7.373 -5.598 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.323 7.213 -7.612 1.00 0.00 N ATOM 0 H ASN A 20 -0.087 4.376 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.642 6.067 -3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.062 4.899 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.121 6.089 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.740 7.957 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.015 6.752 -8.202 1.00 0.00 H new ATOM 289 N HIS A 21 -2.474 2.946 -3.938 1.00 0.00 N ATOM 290 CA HIS A 21 -3.370 1.924 -3.415 1.00 0.00 C ATOM 291 C HIS A 21 -3.086 1.640 -1.942 1.00 0.00 C ATOM 292 O HIS A 21 -3.993 1.291 -1.186 1.00 0.00 O ATOM 293 CB HIS A 21 -3.177 0.666 -4.257 1.00 0.00 C ATOM 294 CG HIS A 21 -4.037 -0.494 -3.834 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.371 -0.672 -4.117 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.629 -1.580 -3.106 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.750 -1.841 -3.572 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.721 -2.438 -2.947 1.00 0.00 N ATOM 0 H HIS A 21 -1.605 2.572 -4.320 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.403 2.268 -3.475 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.392 0.903 -5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.130 0.366 -4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.634 -1.745 -2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.749 -2.247 -3.629 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.734 -3.333 -2.457 1.00 0.00 H new ATOM 306 N CYS A 22 -1.828 1.789 -1.518 1.00 0.00 N ATOM 307 CA CYS A 22 -1.463 1.617 -0.119 1.00 0.00 C ATOM 308 C CYS A 22 -1.774 2.885 0.683 1.00 0.00 C ATOM 309 O CYS A 22 -1.912 2.819 1.905 1.00 0.00 O ATOM 310 CB CYS A 22 0.017 1.264 -0.028 1.00 0.00 C ATOM 311 SG CYS A 22 0.454 -0.347 -0.732 1.00 0.00 S ATOM 0 H CYS A 22 -1.047 2.029 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.051 0.806 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.593 2.036 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.317 1.281 1.020 1.00 0.00 H new ATOM 316 N ARG A 23 -1.885 4.035 0.008 1.00 0.00 N ATOM 317 CA ARG A 23 -2.240 5.307 0.634 1.00 0.00 C ATOM 318 C ARG A 23 -3.753 5.478 0.725 1.00 0.00 C ATOM 319 O ARG A 23 -4.238 6.522 1.154 1.00 0.00 O ATOM 320 CB ARG A 23 -1.598 6.460 -0.146 1.00 0.00 C ATOM 321 CG ARG A 23 -0.078 6.519 0.053 1.00 0.00 C ATOM 322 CD ARG A 23 0.305 7.390 1.252 1.00 0.00 C ATOM 323 NE ARG A 23 -0.244 6.880 2.517 1.00 0.00 N ATOM 324 CZ ARG A 23 -0.656 7.654 3.526 1.00 0.00 C ATOM 325 NH1 ARG A 23 -0.575 8.981 3.448 1.00 0.00 N ATOM 326 NH2 ARG A 23 -1.154 7.098 4.624 1.00 0.00 N ATOM 0 H ARG A 23 -1.729 4.106 -0.997 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.856 5.314 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.820 6.346 -1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.041 7.403 0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.309 5.510 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.391 6.914 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.391 7.443 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.053 8.406 1.088 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.315 5.869 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.194 9.420 2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.894 9.558 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.221 6.083 4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.469 7.686 5.396 1.00 0.00 H new ATOM 340 N SER A 24 -4.498 4.447 0.317 1.00 0.00 N ATOM 341 CA SER A 24 -5.947 4.401 0.413 1.00 0.00 C ATOM 342 C SER A 24 -6.357 3.070 1.028 1.00 0.00 C ATOM 343 O SER A 24 -5.530 2.167 1.177 1.00 0.00 O ATOM 344 CB SER A 24 -6.572 4.597 -0.971 1.00 0.00 C ATOM 345 OG SER A 24 -6.198 3.537 -1.827 1.00 0.00 O ATOM 0 H SER A 24 -4.095 3.606 -0.097 1.00 0.00 H new ATOM 0 HA SER A 24 -6.308 5.207 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.658 4.640 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.248 5.548 -1.394 1.00 0.00 H new ATOM 0 HG SER A 24 -5.450 3.821 -2.392 1.00 0.00 H new ATOM 351 N CYS A 25 -7.633 2.933 1.390 1.00 0.00 N ATOM 352 CA CYS A 25 -8.095 1.713 2.028 1.00 0.00 C ATOM 353 C CYS A 25 -8.221 0.587 1.005 1.00 0.00 C ATOM 354 O CYS A 25 -8.754 0.786 -0.086 1.00 0.00 O ATOM 355 CB CYS A 25 -9.401 1.983 2.772 1.00 0.00 C ATOM 356 SG CYS A 25 -9.276 3.357 3.944 1.00 0.00 S ATOM 0 H CYS A 25 -8.351 3.644 1.252 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.362 1.383 2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.187 2.200 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.701 1.082 3.307 1.00 0.00 H new ATOM 361 N HIS A 26 -7.724 -0.599 1.363 1.00 0.00 N ATOM 362 CA HIS A 26 -7.710 -1.766 0.496 1.00 0.00 C ATOM 363 C HIS A 26 -7.906 -3.032 1.326 1.00 0.00 C ATOM 364 O HIS A 26 -7.862 -2.983 2.555 1.00 0.00 O ATOM 365 CB HIS A 26 -6.373 -1.803 -0.243 1.00 0.00 C ATOM 366 CG HIS A 26 -5.206 -1.671 0.697 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.478 -0.521 0.930 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.693 -2.663 1.485 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.542 -0.807 1.854 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.657 -2.103 2.205 1.00 0.00 N ATOM 0 H HIS A 26 -7.314 -0.772 2.281 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.523 -1.710 -0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.290 -2.739 -0.795 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.341 -0.997 -0.976 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.624 0.384 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.033 -3.687 1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.817 -0.111 2.250 1.00 0.00 H new ATOM 379 N ARG A 27 -8.122 -4.168 0.663 1.00 0.00 N ATOM 380 CA ARG A 27 -8.359 -5.431 1.349 1.00 0.00 C ATOM 381 C ARG A 27 -7.072 -5.973 1.966 1.00 0.00 C ATOM 382 O ARG A 27 -6.008 -5.898 1.353 1.00 0.00 O ATOM 383 CB ARG A 27 -8.958 -6.431 0.357 1.00 0.00 C ATOM 384 CG ARG A 27 -9.405 -7.733 1.024 1.00 0.00 C ATOM 385 CD ARG A 27 -10.471 -7.491 2.091 1.00 0.00 C ATOM 386 NE ARG A 27 -10.864 -8.750 2.741 1.00 0.00 N ATOM 387 CZ ARG A 27 -11.865 -8.865 3.617 1.00 0.00 C ATOM 388 NH1 ARG A 27 -12.598 -7.808 3.957 1.00 0.00 N ATOM 389 NH2 ARG A 27 -12.138 -10.048 4.158 1.00 0.00 N ATOM 0 H ARG A 27 -8.137 -4.236 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.062 -5.269 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.811 -5.973 -0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.221 -6.657 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.797 -8.412 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.543 -8.223 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.090 -6.795 2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.345 -7.024 1.637 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.337 -9.591 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.398 -6.896 3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.360 -7.910 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.583 -10.865 3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.902 -10.138 4.827 1.00 0.00 H new ATOM 403 N GLY A 28 -7.179 -6.520 3.180 1.00 0.00 N ATOM 404 CA GLY A 28 -6.079 -7.150 3.898 1.00 0.00 C ATOM 405 C GLY A 28 -6.354 -8.634 4.129 1.00 0.00 C ATOM 406 O GLY A 28 -7.264 -9.204 3.529 1.00 0.00 O ATOM 0 H GLY A 28 -8.057 -6.535 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.155 -7.032 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.932 -6.651 4.856 1.00 0.00 H new ATOM 410 N ASP A 29 -5.565 -9.267 5.002 1.00 0.00 N ATOM 411 CA ASP A 29 -5.667 -10.699 5.255 1.00 0.00 C ATOM 412 C ASP A 29 -6.744 -11.048 6.284 1.00 0.00 C ATOM 413 O ASP A 29 -7.106 -12.216 6.416 1.00 0.00 O ATOM 414 CB ASP A 29 -4.308 -11.219 5.725 1.00 0.00 C ATOM 415 CG ASP A 29 -3.244 -11.048 4.644 1.00 0.00 C ATOM 416 OD1 ASP A 29 -3.264 -11.849 3.681 1.00 0.00 O ATOM 417 OD2 ASP A 29 -2.420 -10.117 4.785 1.00 0.00 O ATOM 0 H ASP A 29 -4.842 -8.800 5.549 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.962 -11.178 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.004 -10.685 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.392 -12.272 5.992 1.00 0.00 H new ATOM 422 N VAL A 30 -7.262 -10.054 7.013 1.00 0.00 N ATOM 423 CA VAL A 30 -8.294 -10.273 8.024 1.00 0.00 C ATOM 424 C VAL A 30 -9.389 -9.204 7.956 1.00 0.00 C ATOM 425 O VAL A 30 -10.427 -9.333 8.602 1.00 0.00 O ATOM 426 CB VAL A 30 -7.616 -10.321 9.401 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.038 -8.959 9.786 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.585 -10.778 10.488 1.00 0.00 C ATOM 0 H VAL A 30 -6.977 -9.079 6.917 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.797 -11.222 7.838 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.805 -11.045 9.323 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.565 -9.028 10.766 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.297 -8.656 9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.839 -8.221 9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.070 -10.800 11.449 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.425 -10.085 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.953 -11.776 10.251 1.00 0.00 H new ATOM 438 N GLY A 31 -9.166 -8.144 7.174 1.00 0.00 N ATOM 439 CA GLY A 31 -10.106 -7.045 7.022 1.00 0.00 C ATOM 440 C GLY A 31 -9.474 -5.943 6.178 1.00 0.00 C ATOM 441 O GLY A 31 -8.330 -6.081 5.744 1.00 0.00 O ATOM 0 H GLY A 31 -8.315 -8.030 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.022 -7.399 6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.384 -6.653 8.000 1.00 0.00 H new ATOM 445 N CYS A 32 -10.203 -4.854 5.938 1.00 0.00 N ATOM 446 CA CYS A 32 -9.671 -3.755 5.151 1.00 0.00 C ATOM 447 C CYS A 32 -8.773 -2.854 5.994 1.00 0.00 C ATOM 448 O CYS A 32 -9.050 -2.607 7.171 1.00 0.00 O ATOM 449 CB CYS A 32 -10.797 -2.986 4.477 1.00 0.00 C ATOM 450 SG CYS A 32 -11.612 -3.934 3.169 1.00 0.00 S ATOM 0 H CYS A 32 -11.155 -4.714 6.276 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.043 -4.167 4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.535 -2.701 5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.399 -2.063 4.056 1.00 0.00 H new ATOM 455 N VAL A 33 -7.693 -2.361 5.381 1.00 0.00 N ATOM 456 CA VAL A 33 -6.682 -1.551 6.046 1.00 0.00 C ATOM 457 C VAL A 33 -6.128 -0.489 5.098 1.00 0.00 C ATOM 458 O VAL A 33 -6.390 -0.519 3.896 1.00 0.00 O ATOM 459 CB VAL A 33 -5.537 -2.439 6.553 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.036 -3.522 7.513 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.817 -3.130 5.390 1.00 0.00 C ATOM 0 H VAL A 33 -7.498 -2.519 4.392 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.152 -1.052 6.894 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.850 -1.777 7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.194 -4.128 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.511 -3.053 8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.759 -4.157 7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.011 -3.752 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.524 -3.753 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.403 -2.377 4.720 1.00 0.00 H new ATOM 471 N ARG A 34 -5.360 0.454 5.648 1.00 0.00 N ATOM 472 CA ARG A 34 -4.664 1.494 4.896 1.00 0.00 C ATOM 473 C ARG A 34 -3.256 1.627 5.472 1.00 0.00 C ATOM 474 O ARG A 34 -3.059 1.347 6.650 1.00 0.00 O ATOM 475 CB ARG A 34 -5.443 2.806 4.976 1.00 0.00 C ATOM 476 CG ARG A 34 -5.635 3.266 6.425 1.00 0.00 C ATOM 477 CD ARG A 34 -6.463 4.550 6.460 1.00 0.00 C ATOM 478 NE ARG A 34 -6.721 4.980 7.838 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.450 6.051 8.164 1.00 0.00 C ATOM 480 NH1 ARG A 34 -8.008 6.813 7.229 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.622 6.365 9.445 1.00 0.00 N ATOM 0 H ARG A 34 -5.203 0.515 6.654 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.592 1.233 3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.914 3.578 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.417 2.680 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.134 2.486 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.665 3.436 6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.937 5.339 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.409 4.389 5.944 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.319 4.427 8.595 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.883 6.584 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.561 7.627 7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.198 5.789 10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.178 7.182 9.700 1.00 0.00 H new ATOM 495 N CYS A 35 -2.281 2.046 4.661 1.00 0.00 N ATOM 496 CA CYS A 35 -0.884 2.051 5.076 1.00 0.00 C ATOM 497 C CYS A 35 -0.204 3.392 4.787 1.00 0.00 C ATOM 498 O CYS A 35 -0.842 4.348 4.342 1.00 0.00 O ATOM 499 CB CYS A 35 -0.155 0.922 4.351 1.00 0.00 C ATOM 500 SG CYS A 35 -0.844 -0.746 4.539 1.00 0.00 S ATOM 0 H CYS A 35 -2.438 2.386 3.712 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.842 1.900 6.155 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.129 1.161 3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.878 0.905 4.699 1.00 0.00 H new ATOM 505 N SER A 36 1.107 3.458 5.044 1.00 0.00 N ATOM 506 CA SER A 36 1.888 4.682 4.955 1.00 0.00 C ATOM 507 C SER A 36 2.631 4.833 3.629 1.00 0.00 C ATOM 508 O SER A 36 2.746 5.944 3.111 1.00 0.00 O ATOM 509 CB SER A 36 2.895 4.660 6.101 1.00 0.00 C ATOM 510 OG SER A 36 3.758 3.553 5.962 1.00 0.00 O ATOM 0 H SER A 36 1.657 2.646 5.323 1.00 0.00 H new ATOM 0 HA SER A 36 1.206 5.530 5.017 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.473 5.584 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.371 4.606 7.055 1.00 0.00 H new ATOM 0 HG SER A 36 3.990 3.206 6.849 1.00 0.00 H new ATOM 516 N ASN A 37 3.140 3.729 3.073 1.00 0.00 N ATOM 517 CA ASN A 37 3.929 3.748 1.846 1.00 0.00 C ATOM 518 C ASN A 37 3.821 2.390 1.144 1.00 0.00 C ATOM 519 O ASN A 37 3.062 1.527 1.589 1.00 0.00 O ATOM 520 CB ASN A 37 5.378 4.092 2.226 1.00 0.00 C ATOM 521 CG ASN A 37 6.228 4.500 1.032 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.720 4.750 -0.057 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.540 4.571 1.231 1.00 0.00 N ATOM 0 H ASN A 37 3.014 2.796 3.466 1.00 0.00 H new ATOM 0 HA ASN A 37 3.561 4.498 1.146 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.373 4.902 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.834 3.229 2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.158 4.840 0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.929 4.356 2.149 1.00 0.00 H new ATOM 530 N ALA A 38 4.566 2.187 0.055 1.00 0.00 N ATOM 531 CA ALA A 38 4.506 0.953 -0.714 1.00 0.00 C ATOM 532 C ALA A 38 5.809 0.660 -1.451 1.00 0.00 C ATOM 533 O ALA A 38 6.684 1.517 -1.573 1.00 0.00 O ATOM 534 CB ALA A 38 3.382 1.074 -1.736 1.00 0.00 C ATOM 0 H ALA A 38 5.224 2.874 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 38 4.330 0.134 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.323 0.157 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.436 1.236 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.582 1.916 -2.399 1.00 0.00 H new ATOM 540 N GLN A 39 5.923 -0.575 -1.950 1.00 0.00 N ATOM 541 CA GLN A 39 7.020 -1.008 -2.800 1.00 0.00 C ATOM 542 C GLN A 39 6.550 -2.171 -3.677 1.00 0.00 C ATOM 543 O GLN A 39 5.501 -2.763 -3.419 1.00 0.00 O ATOM 544 CB GLN A 39 8.228 -1.428 -1.954 1.00 0.00 C ATOM 545 CG GLN A 39 7.904 -2.613 -1.037 1.00 0.00 C ATOM 546 CD GLN A 39 9.161 -3.148 -0.361 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.592 -4.264 -0.634 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.763 -2.366 0.529 1.00 0.00 N ATOM 0 H GLN A 39 5.240 -1.310 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 39 7.329 -0.178 -3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.056 -1.694 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.559 -0.583 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.184 -2.303 -0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.434 -3.407 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.383 -1.443 0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.605 -2.689 1.005 1.00 0.00 H new ATOM 557 N CYS A 40 7.326 -2.498 -4.711 1.00 0.00 N ATOM 558 CA CYS A 40 7.025 -3.630 -5.575 1.00 0.00 C ATOM 559 C CYS A 40 7.876 -4.830 -5.165 1.00 0.00 C ATOM 560 O CYS A 40 9.029 -4.675 -4.773 1.00 0.00 O ATOM 561 CB CYS A 40 7.225 -3.234 -7.039 1.00 0.00 C ATOM 562 SG CYS A 40 6.065 -1.959 -7.611 1.00 0.00 S ATOM 0 H CYS A 40 8.172 -1.989 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 40 5.981 -3.923 -5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.245 -2.873 -7.173 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.116 -4.120 -7.665 1.00 0.00 H new ATOM 567 N THR A 41 7.296 -6.027 -5.262 1.00 0.00 N ATOM 568 CA THR A 41 7.920 -7.270 -4.826 1.00 0.00 C ATOM 569 C THR A 41 7.695 -8.388 -5.843 1.00 0.00 C ATOM 570 O THR A 41 7.074 -8.178 -6.885 1.00 0.00 O ATOM 571 CB THR A 41 7.346 -7.680 -3.468 1.00 0.00 C ATOM 572 OG1 THR A 41 5.952 -7.867 -3.579 1.00 0.00 O ATOM 573 CG2 THR A 41 7.621 -6.617 -2.407 1.00 0.00 C ATOM 0 H THR A 41 6.363 -6.159 -5.653 1.00 0.00 H new ATOM 0 HA THR A 41 8.994 -7.104 -4.739 1.00 0.00 H new ATOM 0 HB THR A 41 7.829 -8.609 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.644 -8.461 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.201 -6.937 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.697 -6.478 -2.301 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.162 -5.675 -2.708 1.00 0.00 H new ATOM 581 N GLY A 42 8.201 -9.585 -5.533 1.00 0.00 N ATOM 582 CA GLY A 42 8.084 -10.748 -6.398 1.00 0.00 C ATOM 583 C GLY A 42 9.395 -11.042 -7.120 1.00 0.00 C ATOM 584 O GLY A 42 10.402 -10.373 -6.896 1.00 0.00 O ATOM 0 H GLY A 42 8.706 -9.769 -4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.791 -11.615 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.294 -10.580 -7.130 1.00 0.00 H new ATOM 588 N PHE A 43 9.378 -12.052 -7.994 1.00 0.00 N ATOM 589 CA PHE A 43 10.558 -12.491 -8.727 1.00 0.00 C ATOM 590 C PHE A 43 11.048 -11.426 -9.706 1.00 0.00 C ATOM 591 O PHE A 43 12.218 -11.431 -10.085 1.00 0.00 O ATOM 592 CB PHE A 43 10.203 -13.781 -9.477 1.00 0.00 C ATOM 593 CG PHE A 43 11.254 -14.210 -10.477 1.00 0.00 C ATOM 594 CD1 PHE A 43 12.463 -14.770 -10.041 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.017 -14.036 -11.851 1.00 0.00 C ATOM 596 CE1 PHE A 43 13.441 -15.140 -10.977 1.00 0.00 C ATOM 597 CE2 PHE A 43 11.995 -14.409 -12.783 1.00 0.00 C ATOM 598 CZ PHE A 43 13.207 -14.959 -12.347 1.00 0.00 C ATOM 0 H PHE A 43 8.538 -12.588 -8.211 1.00 0.00 H new ATOM 0 HA PHE A 43 11.369 -12.668 -8.021 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.054 -14.582 -8.753 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.255 -13.640 -9.997 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.642 -14.917 -8.986 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.082 -13.615 -12.189 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.375 -15.565 -10.641 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.814 -14.272 -13.839 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.961 -15.244 -13.066 1.00 0.00 H new ATOM 608 N LEU A 44 10.167 -10.513 -10.124 1.00 0.00 N ATOM 609 CA LEU A 44 10.514 -9.492 -11.103 1.00 0.00 C ATOM 610 C LEU A 44 9.811 -8.164 -10.794 1.00 0.00 C ATOM 611 O LEU A 44 9.661 -7.319 -11.674 1.00 0.00 O ATOM 612 CB LEU A 44 10.181 -10.033 -12.501 1.00 0.00 C ATOM 613 CG LEU A 44 10.906 -9.302 -13.639 1.00 0.00 C ATOM 614 CD1 LEU A 44 12.423 -9.458 -13.531 1.00 0.00 C ATOM 615 CD2 LEU A 44 10.459 -9.907 -14.966 1.00 0.00 C ATOM 0 H LEU A 44 9.203 -10.465 -9.794 1.00 0.00 H new ATOM 0 HA LEU A 44 11.581 -9.273 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.437 -11.092 -12.541 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.105 -9.959 -12.662 1.00 0.00 H new ATOM 0 HG LEU A 44 10.659 -8.242 -13.576 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.903 -8.927 -14.353 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.765 -9.043 -12.583 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.684 -10.515 -13.580 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.965 -9.399 -15.787 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.711 -10.967 -14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.381 -9.788 -15.075 1.00 0.00 H new ATOM 627 N GLY A 45 9.377 -7.975 -9.544 1.00 0.00 N ATOM 628 CA GLY A 45 8.699 -6.751 -9.140 1.00 0.00 C ATOM 629 C GLY A 45 7.259 -6.704 -9.650 1.00 0.00 C ATOM 630 O GLY A 45 6.658 -5.635 -9.696 1.00 0.00 O ATOM 0 H GLY A 45 9.486 -8.660 -8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.702 -6.676 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.247 -5.889 -9.520 1.00 0.00 H new ATOM 634 N THR A 46 6.705 -7.856 -10.040 1.00 0.00 N ATOM 635 CA THR A 46 5.378 -7.943 -10.642 1.00 0.00 C ATOM 636 C THR A 46 4.247 -7.957 -9.607 1.00 0.00 C ATOM 637 O THR A 46 3.093 -8.177 -9.972 1.00 0.00 O ATOM 638 CB THR A 46 5.305 -9.173 -11.547 1.00 0.00 C ATOM 639 OG1 THR A 46 5.734 -10.315 -10.834 1.00 0.00 O ATOM 640 CG2 THR A 46 6.201 -8.983 -12.772 1.00 0.00 C ATOM 0 H THR A 46 7.171 -8.758 -9.945 1.00 0.00 H new ATOM 0 HA THR A 46 5.230 -7.040 -11.235 1.00 0.00 H new ATOM 0 HB THR A 46 4.273 -9.306 -11.873 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.684 -11.102 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.140 -9.866 -13.408 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.870 -8.108 -13.332 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.232 -8.839 -12.450 1.00 0.00 H new ATOM 648 N THR A 47 4.561 -7.730 -8.328 1.00 0.00 N ATOM 649 CA THR A 47 3.570 -7.732 -7.258 1.00 0.00 C ATOM 650 C THR A 47 3.669 -6.445 -6.438 1.00 0.00 C ATOM 651 O THR A 47 4.740 -5.853 -6.342 1.00 0.00 O ATOM 652 CB THR A 47 3.770 -8.971 -6.378 1.00 0.00 C ATOM 653 OG1 THR A 47 3.697 -10.132 -7.176 1.00 0.00 O ATOM 654 CG2 THR A 47 2.702 -9.064 -5.288 1.00 0.00 C ATOM 0 H THR A 47 5.511 -7.540 -8.009 1.00 0.00 H new ATOM 0 HA THR A 47 2.570 -7.772 -7.689 1.00 0.00 H new ATOM 0 HB THR A 47 4.748 -8.887 -5.904 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.827 -10.924 -6.614 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.875 -9.954 -4.684 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.752 -8.179 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.716 -9.125 -5.749 1.00 0.00 H new ATOM 662 N CYS A 48 2.551 -6.012 -5.848 1.00 0.00 N ATOM 663 CA CYS A 48 2.489 -4.815 -5.026 1.00 0.00 C ATOM 664 C CYS A 48 2.420 -5.182 -3.543 1.00 0.00 C ATOM 665 O CYS A 48 1.733 -6.134 -3.172 1.00 0.00 O ATOM 666 CB CYS A 48 1.273 -3.993 -5.450 1.00 0.00 C ATOM 667 SG CYS A 48 0.894 -2.574 -4.390 1.00 0.00 S ATOM 0 H CYS A 48 1.656 -6.494 -5.933 1.00 0.00 H new ATOM 0 HA CYS A 48 3.392 -4.221 -5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.434 -3.634 -6.467 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.403 -4.649 -5.477 1.00 0.00 H new ATOM 672 N THR A 49 3.128 -4.425 -2.702 1.00 0.00 N ATOM 673 CA THR A 49 3.141 -4.617 -1.256 1.00 0.00 C ATOM 674 C THR A 49 3.161 -3.263 -0.548 1.00 0.00 C ATOM 675 O THR A 49 3.729 -2.302 -1.059 1.00 0.00 O ATOM 676 CB THR A 49 4.361 -5.461 -0.869 1.00 0.00 C ATOM 677 OG1 THR A 49 4.279 -6.731 -1.481 1.00 0.00 O ATOM 678 CG2 THR A 49 4.445 -5.678 0.641 1.00 0.00 C ATOM 0 H THR A 49 3.715 -3.652 -3.014 1.00 0.00 H new ATOM 0 HA THR A 49 2.239 -5.144 -0.945 1.00 0.00 H new ATOM 0 HB THR A 49 5.245 -4.918 -1.204 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.898 -6.769 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.323 -6.281 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.523 -4.714 1.143 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.549 -6.195 0.985 1.00 0.00 H new ATOM 686 N CYS A 50 2.539 -3.188 0.630 1.00 0.00 N ATOM 687 CA CYS A 50 2.465 -1.948 1.398 1.00 0.00 C ATOM 688 C CYS A 50 3.473 -1.948 2.550 1.00 0.00 C ATOM 689 O CYS A 50 3.989 -2.995 2.937 1.00 0.00 O ATOM 690 CB CYS A 50 1.038 -1.738 1.903 1.00 0.00 C ATOM 691 SG CYS A 50 -0.239 -1.710 0.612 1.00 0.00 S ATOM 0 H CYS A 50 2.076 -3.981 1.075 1.00 0.00 H new ATOM 0 HA CYS A 50 2.728 -1.115 0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.799 -2.531 2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.998 -0.797 2.452 1.00 0.00 H new ATOM 696 N ILE A 51 3.744 -0.759 3.092 1.00 0.00 N ATOM 697 CA ILE A 51 4.709 -0.561 4.165 1.00 0.00 C ATOM 698 C ILE A 51 3.989 -0.246 5.474 1.00 0.00 C ATOM 699 O ILE A 51 2.928 0.375 5.462 1.00 0.00 O ATOM 700 CB ILE A 51 5.656 0.579 3.772 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.395 0.275 2.466 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.668 0.874 4.878 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.289 -0.963 2.546 1.00 0.00 C ATOM 0 H ILE A 51 3.290 0.103 2.790 1.00 0.00 H new ATOM 0 HA ILE A 51 5.287 -1.472 4.317 1.00 0.00 H new ATOM 0 HB ILE A 51 5.034 1.462 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.665 0.136 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.004 1.137 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.323 1.687 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.140 1.163 5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.264 -0.017 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.782 -1.119 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.042 -0.819 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.682 -1.835 2.788 1.00 0.00 H new ATOM 715 N ASN A 52 4.564 -0.668 6.604 1.00 0.00 N ATOM 716 CA ASN A 52 3.973 -0.454 7.917 1.00 0.00 C ATOM 717 C ASN A 52 4.144 1.001 8.369 1.00 0.00 C ATOM 718 O ASN A 52 5.077 1.676 7.935 1.00 0.00 O ATOM 719 CB ASN A 52 4.608 -1.434 8.910 1.00 0.00 C ATOM 720 CG ASN A 52 6.103 -1.192 9.054 1.00 0.00 C ATOM 721 OD1 ASN A 52 6.898 -1.708 8.270 1.00 0.00 O ATOM 722 ND2 ASN A 52 6.502 -0.408 10.050 1.00 0.00 N ATOM 0 H ASN A 52 5.453 -1.167 6.628 1.00 0.00 H new ATOM 0 HA ASN A 52 2.900 -0.641 7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.126 -1.331 9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.435 -2.457 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.495 -0.218 10.183 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.815 0.004 10.682 1.00 0.00 H new ATOM 729 N PRO A 53 3.260 1.498 9.247 1.00 0.00 N ATOM 730 CA PRO A 53 2.110 0.807 9.806 1.00 0.00 C ATOM 731 C PRO A 53 0.976 0.685 8.791 1.00 0.00 C ATOM 732 O PRO A 53 0.964 1.372 7.769 1.00 0.00 O ATOM 733 CB PRO A 53 1.671 1.669 10.993 1.00 0.00 C ATOM 734 CG PRO A 53 2.038 3.077 10.532 1.00 0.00 C ATOM 735 CD PRO A 53 3.343 2.849 9.773 1.00 0.00 C ATOM 0 HA PRO A 53 2.363 -0.212 10.098 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.604 1.572 11.192 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.192 1.393 11.910 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.267 3.508 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.172 3.757 11.373 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.461 3.576 8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.204 2.961 10.432 1.00 0.00 H new ATOM 743 N CYS A 54 0.022 -0.198 9.091 1.00 0.00 N ATOM 744 CA CYS A 54 -1.153 -0.429 8.266 1.00 0.00 C ATOM 745 C CYS A 54 -2.406 -0.533 9.146 1.00 0.00 C ATOM 746 O CYS A 54 -2.964 -1.620 9.297 1.00 0.00 O ATOM 747 CB CYS A 54 -0.956 -1.706 7.450 1.00 0.00 C ATOM 748 SG CYS A 54 0.209 -1.607 6.064 1.00 0.00 S ATOM 0 H CYS A 54 0.050 -0.779 9.929 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.289 0.409 7.583 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.619 -2.493 8.124 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.926 -2.015 7.060 1.00 0.00 H new ATOM 753 N PRO A 55 -2.862 0.582 9.739 1.00 0.00 N ATOM 754 CA PRO A 55 -4.058 0.624 10.564 1.00 0.00 C ATOM 755 C PRO A 55 -5.303 0.249 9.762 1.00 0.00 C ATOM 756 O PRO A 55 -5.306 0.305 8.532 1.00 0.00 O ATOM 757 CB PRO A 55 -4.133 2.058 11.095 1.00 0.00 C ATOM 758 CG PRO A 55 -3.369 2.859 10.042 1.00 0.00 C ATOM 759 CD PRO A 55 -2.261 1.897 9.637 1.00 0.00 C ATOM 0 HA PRO A 55 -4.013 -0.099 11.378 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.164 2.399 11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.675 2.147 12.080 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.003 3.127 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.971 3.789 10.449 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.914 2.097 8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.396 1.989 10.294 1.00 0.00 H new ATOM 767 N ARG A 56 -6.375 -0.135 10.461 1.00 0.00 N ATOM 768 CA ARG A 56 -7.608 -0.593 9.832 1.00 0.00 C ATOM 769 C ARG A 56 -8.436 0.569 9.285 1.00 0.00 C ATOM 770 O ARG A 56 -8.258 1.716 9.694 1.00 0.00 O ATOM 771 CB ARG A 56 -8.416 -1.442 10.818 1.00 0.00 C ATOM 772 CG ARG A 56 -7.622 -2.681 11.242 1.00 0.00 C ATOM 773 CD ARG A 56 -8.491 -3.568 12.131 1.00 0.00 C ATOM 774 NE ARG A 56 -7.750 -4.752 12.572 1.00 0.00 N ATOM 775 CZ ARG A 56 -8.264 -5.710 13.347 1.00 0.00 C ATOM 776 NH1 ARG A 56 -9.519 -5.630 13.784 1.00 0.00 N ATOM 777 NH2 ARG A 56 -7.522 -6.758 13.686 1.00 0.00 N ATOM 0 H ARG A 56 -6.408 -0.135 11.480 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.341 -1.214 8.977 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.668 -0.847 11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.356 -1.746 10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.299 -3.237 10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.722 -2.382 11.779 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.828 -3.001 12.999 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.383 -3.875 11.585 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.781 -4.851 12.268 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.098 -4.831 13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.901 -6.368 14.376 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.560 -6.831 13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.914 -7.490 14.278 1.00 0.00 H new ATOM 791 N CYS A 57 -9.346 0.250 8.358 1.00 0.00 N ATOM 792 CA CYS A 57 -10.220 1.222 7.718 1.00 0.00 C ATOM 793 C CYS A 57 -11.589 0.598 7.439 1.00 0.00 C ATOM 794 O CYS A 57 -11.637 -0.357 6.633 1.00 0.00 O ATOM 795 CB CYS A 57 -9.557 1.703 6.429 1.00 0.00 C ATOM 796 SG CYS A 57 -10.553 2.852 5.447 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.576 1.085 8.037 1.00 0.00 O ATOM 0 H CYS A 57 -9.493 -0.705 8.031 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.377 2.076 8.377 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.613 2.186 6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.317 0.835 5.815 1.00 0.00 H new