USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 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 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -103:sc= -0.338 (180deg=-2.04!) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= -0.177 (180deg=-1.12) USER MOD Single : A 31 THR OG1 : rot 143:sc= -0.0339 USER MOD Single : A 40 THR OG1 : rot -58:sc= 1.25 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -5.85! C(o=-5.9!,f=-4.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -11.968 -4.100 10.742 1.00 0.00 N ATOM 2 CA THR A 14 -11.747 -2.841 9.975 1.00 0.00 C ATOM 3 C THR A 14 -12.113 -1.640 10.849 1.00 0.00 C ATOM 4 O THR A 14 -12.851 -0.765 10.441 1.00 0.00 O ATOM 5 CB THR A 14 -12.626 -2.845 8.721 1.00 0.00 C ATOM 6 OG1 THR A 14 -12.431 -1.634 8.005 1.00 0.00 O ATOM 7 CG2 THR A 14 -14.095 -2.971 9.125 1.00 0.00 C ATOM 0 HA THR A 14 -10.699 -2.773 9.684 1.00 0.00 H new ATOM 0 HB THR A 14 -12.353 -3.690 8.088 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.992 -1.635 7.201 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.719 -2.974 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.243 -3.901 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.372 -2.128 9.758 1.00 0.00 H new ATOM 17 N LEU A 15 -11.604 -1.590 12.050 1.00 0.00 N ATOM 18 CA LEU A 15 -11.924 -0.446 12.948 1.00 0.00 C ATOM 19 C LEU A 15 -11.180 0.804 12.482 1.00 0.00 C ATOM 20 O LEU A 15 -11.780 1.844 12.298 1.00 0.00 O ATOM 21 CB LEU A 15 -11.512 -0.784 14.382 1.00 0.00 C ATOM 22 CG LEU A 15 -12.731 -0.679 15.300 1.00 0.00 C ATOM 23 CD1 LEU A 15 -12.926 -2.001 16.043 1.00 0.00 C ATOM 24 CD2 LEU A 15 -12.508 0.446 16.314 1.00 0.00 C ATOM 0 H LEU A 15 -10.980 -2.292 12.447 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.997 -0.257 12.916 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.097 -1.791 14.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.731 -0.102 14.718 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.618 -0.463 14.704 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.795 -1.926 16.697 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.083 -2.804 15.322 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.040 -2.217 16.640 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.376 0.523 16.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.621 0.228 16.910 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.368 1.389 15.786 1.00 0.00 H new ATOM 36 N PRO A 16 -9.895 0.669 12.307 1.00 0.00 N ATOM 37 CA PRO A 16 -9.044 1.781 11.868 1.00 0.00 C ATOM 38 C PRO A 16 -9.163 1.982 10.353 1.00 0.00 C ATOM 39 O PRO A 16 -8.546 1.283 9.575 1.00 0.00 O ATOM 40 CB PRO A 16 -7.638 1.321 12.248 1.00 0.00 C ATOM 41 CG PRO A 16 -7.690 -0.221 12.346 1.00 0.00 C ATOM 42 CD PRO A 16 -9.169 -0.600 12.534 1.00 0.00 C ATOM 0 HA PRO A 16 -9.314 2.735 12.321 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.911 1.638 11.500 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.330 1.760 13.197 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.284 -0.680 11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.090 -0.576 13.183 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.477 -1.369 11.825 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.356 -0.994 13.533 1.00 0.00 H new ATOM 50 N ARG A 17 -9.954 2.930 9.933 1.00 0.00 N ATOM 51 CA ARG A 17 -10.114 3.174 8.470 1.00 0.00 C ATOM 52 C ARG A 17 -10.927 4.453 8.253 1.00 0.00 C ATOM 53 O ARG A 17 -11.849 4.487 7.464 1.00 0.00 O ATOM 54 CB ARG A 17 -10.844 1.990 7.826 1.00 0.00 C ATOM 55 CG ARG A 17 -11.787 1.347 8.847 1.00 0.00 C ATOM 56 CD ARG A 17 -12.859 2.358 9.261 1.00 0.00 C ATOM 57 NE ARG A 17 -13.707 2.693 8.083 1.00 0.00 N ATOM 58 CZ ARG A 17 -14.414 1.762 7.503 1.00 0.00 C ATOM 59 NH1 ARG A 17 -15.479 1.291 8.091 1.00 0.00 N ATOM 60 NH2 ARG A 17 -14.056 1.302 6.335 1.00 0.00 N ATOM 0 H ARG A 17 -10.497 3.546 10.538 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.131 3.284 8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.409 2.328 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.122 1.255 7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.254 0.461 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.224 1.019 9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.475 1.945 10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.391 3.260 9.654 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.735 3.650 7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.759 1.650 9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.032 0.563 7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.223 1.670 5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.609 0.574 5.882 1.00 0.00 H new ATOM 74 N GLY A 18 -10.594 5.504 8.951 1.00 0.00 N ATOM 75 CA GLY A 18 -11.351 6.777 8.786 1.00 0.00 C ATOM 76 C GLY A 18 -10.751 7.588 7.637 1.00 0.00 C ATOM 77 O GLY A 18 -11.458 8.151 6.826 1.00 0.00 O ATOM 0 H GLY A 18 -9.831 5.536 9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.401 6.564 8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.315 7.355 9.709 1.00 0.00 H new ATOM 81 N SER A 19 -9.449 7.655 7.561 1.00 0.00 N ATOM 82 CA SER A 19 -8.809 8.433 6.463 1.00 0.00 C ATOM 83 C SER A 19 -7.315 8.108 6.411 1.00 0.00 C ATOM 84 O SER A 19 -6.481 8.988 6.341 1.00 0.00 O ATOM 85 CB SER A 19 -8.998 9.927 6.721 1.00 0.00 C ATOM 86 OG SER A 19 -8.634 10.222 8.063 1.00 0.00 O ATOM 0 H SER A 19 -8.803 7.206 8.210 1.00 0.00 H new ATOM 0 HA SER A 19 -9.271 8.168 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.386 10.507 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.035 10.210 6.543 1.00 0.00 H new ATOM 0 HG SER A 19 -8.753 11.180 8.231 1.00 0.00 H new ATOM 92 N ILE A 20 -6.971 6.849 6.442 1.00 0.00 N ATOM 93 CA ILE A 20 -5.534 6.469 6.394 1.00 0.00 C ATOM 94 C ILE A 20 -5.133 6.201 4.946 1.00 0.00 C ATOM 95 O ILE A 20 -4.058 6.560 4.509 1.00 0.00 O ATOM 96 CB ILE A 20 -5.311 5.204 7.225 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.244 5.222 8.438 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.858 5.156 7.703 1.00 0.00 C ATOM 99 CD1 ILE A 20 -6.148 6.581 9.134 1.00 0.00 C ATOM 0 H ILE A 20 -7.625 6.068 6.499 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.929 7.280 6.799 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.522 4.326 6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.271 5.034 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.972 4.426 9.131 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.699 4.255 8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.191 5.146 6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.647 6.033 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.812 6.595 9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.122 6.750 9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.441 7.367 8.439 1.00 0.00 H new ATOM 111 N ASP A 21 -5.992 5.570 4.199 1.00 0.00 N ATOM 112 CA ASP A 21 -5.670 5.272 2.776 1.00 0.00 C ATOM 113 C ASP A 21 -5.963 6.501 1.913 1.00 0.00 C ATOM 114 O ASP A 21 -5.925 6.443 0.699 1.00 0.00 O ATOM 115 CB ASP A 21 -6.525 4.097 2.296 1.00 0.00 C ATOM 116 CG ASP A 21 -5.668 2.831 2.244 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.012 2.624 1.237 1.00 0.00 O ATOM 118 OD2 ASP A 21 -5.682 2.091 3.214 1.00 0.00 O ATOM 0 H ASP A 21 -6.907 5.246 4.513 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.614 5.015 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.370 3.950 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.936 4.312 1.310 1.00 0.00 H new ATOM 123 N LYS A 22 -6.257 7.615 2.527 1.00 0.00 N ATOM 124 CA LYS A 22 -6.554 8.845 1.739 1.00 0.00 C ATOM 125 C LYS A 22 -5.372 9.814 1.834 1.00 0.00 C ATOM 126 O LYS A 22 -5.494 10.983 1.530 1.00 0.00 O ATOM 127 CB LYS A 22 -7.810 9.518 2.298 1.00 0.00 C ATOM 128 CG LYS A 22 -7.515 10.072 3.693 1.00 0.00 C ATOM 129 CD LYS A 22 -7.761 11.582 3.706 1.00 0.00 C ATOM 130 CE LYS A 22 -9.263 11.856 3.627 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.511 13.316 3.800 1.00 0.00 N ATOM 0 H LYS A 22 -6.304 7.726 3.540 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.718 8.575 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.129 10.323 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.629 8.800 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.150 9.583 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.482 9.859 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.348 12.020 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.250 12.051 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.655 11.521 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.787 11.293 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.533 13.503 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.151 13.622 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.023 13.843 3.048 1.00 0.00 H new ATOM 145 N TYR A 23 -4.231 9.339 2.254 1.00 0.00 N ATOM 146 CA TYR A 23 -3.050 10.242 2.364 1.00 0.00 C ATOM 147 C TYR A 23 -1.769 9.407 2.446 1.00 0.00 C ATOM 148 O TYR A 23 -0.864 9.718 3.195 1.00 0.00 O ATOM 149 CB TYR A 23 -3.182 11.101 3.623 1.00 0.00 C ATOM 150 CG TYR A 23 -3.929 12.372 3.292 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.436 13.239 2.310 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.115 12.684 3.969 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.128 14.417 2.003 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.807 13.861 3.662 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.313 14.729 2.680 1.00 0.00 C ATOM 156 OH TYR A 23 -5.996 15.890 2.379 1.00 0.00 O ATOM 0 H TYR A 23 -4.066 8.370 2.525 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.004 10.887 1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.711 10.548 4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.195 11.340 4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.521 12.999 1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.495 12.016 4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.748 15.085 1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.723 14.100 4.183 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.797 15.953 2.940 1.00 0.00 H new ATOM 166 N VAL A 24 -1.684 8.352 1.682 1.00 0.00 N ATOM 167 CA VAL A 24 -0.458 7.504 1.715 1.00 0.00 C ATOM 168 C VAL A 24 0.054 7.296 0.288 1.00 0.00 C ATOM 169 O VAL A 24 -0.580 6.649 -0.521 1.00 0.00 O ATOM 170 CB VAL A 24 -0.790 6.147 2.343 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.351 5.163 2.077 1.00 0.00 C ATOM 172 CG2 VAL A 24 -0.966 6.319 3.853 1.00 0.00 C ATOM 0 H VAL A 24 -2.410 8.041 1.037 1.00 0.00 H new ATOM 0 HA VAL A 24 0.311 7.998 2.309 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.711 5.761 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.112 4.199 2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.483 5.041 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.272 5.548 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.202 5.355 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.043 6.705 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.778 7.019 4.047 1.00 0.00 H new ATOM 182 N LYS A 25 1.197 7.842 -0.026 1.00 0.00 N ATOM 183 CA LYS A 25 1.748 7.677 -1.401 1.00 0.00 C ATOM 184 C LYS A 25 2.870 6.637 -1.382 1.00 0.00 C ATOM 185 O LYS A 25 4.034 6.968 -1.266 1.00 0.00 O ATOM 186 CB LYS A 25 2.302 9.016 -1.892 1.00 0.00 C ATOM 187 CG LYS A 25 1.669 9.370 -3.238 1.00 0.00 C ATOM 188 CD LYS A 25 2.151 8.384 -4.305 1.00 0.00 C ATOM 189 CE LYS A 25 3.549 8.788 -4.777 1.00 0.00 C ATOM 190 NZ LYS A 25 3.461 9.379 -6.143 1.00 0.00 N ATOM 0 H LYS A 25 1.773 8.395 0.609 1.00 0.00 H new ATOM 0 HA LYS A 25 0.956 7.343 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.091 9.798 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.386 8.958 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.582 9.336 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.937 10.388 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.171 7.373 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.459 8.376 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.984 9.509 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.206 7.919 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.411 9.654 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.063 8.678 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.847 10.218 -6.119 1.00 0.00 H new ATOM 204 N GLU A 26 2.533 5.382 -1.500 1.00 0.00 N ATOM 205 CA GLU A 26 3.583 4.326 -1.493 1.00 0.00 C ATOM 206 C GLU A 26 4.346 4.364 -2.818 1.00 0.00 C ATOM 207 O GLU A 26 3.765 4.283 -3.882 1.00 0.00 O ATOM 208 CB GLU A 26 2.931 2.952 -1.318 1.00 0.00 C ATOM 209 CG GLU A 26 1.908 2.727 -2.434 1.00 0.00 C ATOM 210 CD GLU A 26 2.454 1.698 -3.427 1.00 0.00 C ATOM 211 OE1 GLU A 26 3.143 0.791 -2.992 1.00 0.00 O ATOM 212 OE2 GLU A 26 2.173 1.836 -4.607 1.00 0.00 O ATOM 0 H GLU A 26 1.576 5.043 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 26 4.272 4.504 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.691 2.171 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.443 2.890 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.965 2.377 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.699 3.667 -2.945 1.00 0.00 H new ATOM 219 N MET A 27 5.644 4.491 -2.766 1.00 0.00 N ATOM 220 CA MET A 27 6.437 4.539 -4.026 1.00 0.00 C ATOM 221 C MET A 27 6.942 3.130 -4.367 1.00 0.00 C ATOM 222 O MET A 27 7.434 2.422 -3.503 1.00 0.00 O ATOM 223 CB MET A 27 7.626 5.483 -3.841 1.00 0.00 C ATOM 224 CG MET A 27 7.203 6.668 -2.970 1.00 0.00 C ATOM 225 SD MET A 27 8.119 8.146 -3.476 1.00 0.00 S ATOM 226 CE MET A 27 7.396 8.307 -5.126 1.00 0.00 C ATOM 0 H MET A 27 6.188 4.563 -1.907 1.00 0.00 H new ATOM 0 HA MET A 27 5.810 4.903 -4.840 1.00 0.00 H new ATOM 0 HB2 MET A 27 8.456 4.953 -3.375 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.978 5.837 -4.810 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.131 6.840 -3.067 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.397 6.449 -1.920 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.106 7.948 -5.871 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.482 7.716 -5.182 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.163 9.354 -5.321 1.00 0.00 H new ATOM 236 N PRO A 28 6.811 2.765 -5.620 1.00 0.00 N ATOM 237 CA PRO A 28 7.239 1.440 -6.104 1.00 0.00 C ATOM 238 C PRO A 28 8.762 1.354 -6.123 1.00 0.00 C ATOM 239 O PRO A 28 9.333 0.300 -6.317 1.00 0.00 O ATOM 240 CB PRO A 28 6.644 1.356 -7.513 1.00 0.00 C ATOM 241 CG PRO A 28 6.386 2.811 -7.961 1.00 0.00 C ATOM 242 CD PRO A 28 6.254 3.642 -6.672 1.00 0.00 C ATOM 0 HA PRO A 28 6.905 0.617 -5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.330 0.855 -8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.719 0.780 -7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.205 3.179 -8.579 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.479 2.878 -8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.806 4.579 -6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.215 3.899 -6.468 1.00 0.00 H new ATOM 250 N ASP A 29 9.423 2.453 -5.895 1.00 0.00 N ATOM 251 CA ASP A 29 10.905 2.430 -5.871 1.00 0.00 C ATOM 252 C ASP A 29 11.356 2.184 -4.431 1.00 0.00 C ATOM 253 O ASP A 29 12.469 2.496 -4.057 1.00 0.00 O ATOM 254 CB ASP A 29 11.457 3.769 -6.366 1.00 0.00 C ATOM 255 CG ASP A 29 10.884 4.906 -5.518 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.736 5.257 -5.733 1.00 0.00 O ATOM 257 OD2 ASP A 29 11.604 5.407 -4.671 1.00 0.00 O ATOM 0 H ASP A 29 8.999 3.365 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 29 11.278 1.640 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.545 3.770 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.196 3.916 -7.414 1.00 0.00 H new ATOM 262 N LYS A 30 10.483 1.636 -3.619 1.00 0.00 N ATOM 263 CA LYS A 30 10.830 1.368 -2.197 1.00 0.00 C ATOM 264 C LYS A 30 10.864 2.686 -1.431 1.00 0.00 C ATOM 265 O LYS A 30 11.891 3.107 -0.938 1.00 0.00 O ATOM 266 CB LYS A 30 12.193 0.670 -2.103 1.00 0.00 C ATOM 267 CG LYS A 30 11.984 -0.807 -1.760 1.00 0.00 C ATOM 268 CD LYS A 30 13.093 -1.643 -2.401 1.00 0.00 C ATOM 269 CE LYS A 30 12.677 -2.047 -3.817 1.00 0.00 C ATOM 270 NZ LYS A 30 11.477 -2.929 -3.749 1.00 0.00 N ATOM 0 H LYS A 30 9.538 1.362 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 30 10.076 0.712 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.728 0.763 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.807 1.149 -1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.990 -0.944 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.010 -1.140 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.021 -1.072 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.286 -2.532 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.456 -1.159 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.496 -2.567 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.519 -3.633 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.456 -3.417 -2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.617 -2.354 -3.855 1.00 0.00 H new ATOM 284 N THR A 31 9.740 3.342 -1.329 1.00 0.00 N ATOM 285 CA THR A 31 9.697 4.634 -0.596 1.00 0.00 C ATOM 286 C THR A 31 8.272 4.893 -0.103 1.00 0.00 C ATOM 287 O THR A 31 7.380 4.092 -0.303 1.00 0.00 O ATOM 288 CB THR A 31 10.132 5.762 -1.527 1.00 0.00 C ATOM 289 OG1 THR A 31 11.168 5.298 -2.381 1.00 0.00 O ATOM 290 CG2 THR A 31 10.640 6.944 -0.700 1.00 0.00 C ATOM 0 H THR A 31 8.850 3.037 -1.723 1.00 0.00 H new ATOM 0 HA THR A 31 10.372 4.591 0.258 1.00 0.00 H new ATOM 0 HB THR A 31 9.282 6.083 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 31 11.056 5.688 -3.273 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.950 7.748 -1.367 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.843 7.301 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.489 6.627 -0.095 1.00 0.00 H new ATOM 298 N PHE A 32 8.050 6.005 0.539 1.00 0.00 N ATOM 299 CA PHE A 32 6.683 6.317 1.045 1.00 0.00 C ATOM 300 C PHE A 32 6.576 7.820 1.307 1.00 0.00 C ATOM 301 O PHE A 32 7.529 8.455 1.715 1.00 0.00 O ATOM 302 CB PHE A 32 6.432 5.550 2.345 1.00 0.00 C ATOM 303 CG PHE A 32 5.503 4.392 2.072 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.116 4.583 2.112 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.027 3.128 1.778 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.254 3.510 1.859 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.165 2.054 1.525 1.00 0.00 C ATOM 308 CZ PHE A 32 3.778 2.245 1.565 1.00 0.00 C ATOM 0 H PHE A 32 8.757 6.713 0.736 1.00 0.00 H new ATOM 0 HA PHE A 32 5.940 6.021 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.375 5.186 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.996 6.212 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.712 5.559 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.096 2.981 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.185 3.657 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.570 1.078 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.113 1.417 1.369 1.00 0.00 H new ATOM 318 N GLU A 33 5.430 8.398 1.073 1.00 0.00 N ATOM 319 CA GLU A 33 5.283 9.861 1.307 1.00 0.00 C ATOM 320 C GLU A 33 3.895 10.169 1.873 1.00 0.00 C ATOM 321 O GLU A 33 2.922 10.246 1.150 1.00 0.00 O ATOM 322 CB GLU A 33 5.468 10.608 -0.016 1.00 0.00 C ATOM 323 CG GLU A 33 6.017 12.008 0.262 1.00 0.00 C ATOM 324 CD GLU A 33 6.279 12.727 -1.064 1.00 0.00 C ATOM 325 OE1 GLU A 33 6.125 12.097 -2.097 1.00 0.00 O ATOM 326 OE2 GLU A 33 6.630 13.895 -1.022 1.00 0.00 O ATOM 0 H GLU A 33 4.594 7.923 0.732 1.00 0.00 H new ATOM 0 HA GLU A 33 6.039 10.183 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.152 10.059 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.517 10.677 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.306 12.576 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.939 11.940 0.840 1.00 0.00 H new ATOM 333 N CYS A 34 3.801 10.367 3.160 1.00 0.00 N ATOM 334 CA CYS A 34 2.481 10.695 3.770 1.00 0.00 C ATOM 335 C CYS A 34 1.911 11.916 3.044 1.00 0.00 C ATOM 336 O CYS A 34 2.363 13.029 3.230 1.00 0.00 O ATOM 337 CB CYS A 34 2.688 11.006 5.254 1.00 0.00 C ATOM 338 SG CYS A 34 1.097 11.210 6.093 1.00 0.00 S ATOM 0 H CYS A 34 4.581 10.316 3.815 1.00 0.00 H new ATOM 0 HA CYS A 34 1.787 9.859 3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.252 10.201 5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.280 11.915 5.361 1.00 0.00 H new ATOM 343 N LEU A 35 0.942 11.711 2.194 1.00 0.00 N ATOM 344 CA LEU A 35 0.363 12.848 1.421 1.00 0.00 C ATOM 345 C LEU A 35 -0.398 13.813 2.336 1.00 0.00 C ATOM 346 O LEU A 35 -0.919 14.812 1.883 1.00 0.00 O ATOM 347 CB LEU A 35 -0.591 12.302 0.357 1.00 0.00 C ATOM 348 CG LEU A 35 0.181 11.401 -0.606 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.494 10.030 -0.677 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.190 12.035 -2.000 1.00 0.00 C ATOM 0 H LEU A 35 0.524 10.801 2.000 1.00 0.00 H new ATOM 0 HA LEU A 35 1.181 13.395 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.397 11.741 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.053 13.125 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 35 1.205 11.284 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.057 9.388 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.503 9.577 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.518 10.147 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.740 11.393 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.835 12.151 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.671 13.012 -1.952 1.00 0.00 H new ATOM 362 N PHE A 36 -0.477 13.544 3.611 1.00 0.00 N ATOM 363 CA PHE A 36 -1.216 14.486 4.499 1.00 0.00 C ATOM 364 C PHE A 36 -0.653 15.896 4.303 1.00 0.00 C ATOM 365 O PHE A 36 0.544 16.070 4.180 1.00 0.00 O ATOM 366 CB PHE A 36 -1.045 14.069 5.958 1.00 0.00 C ATOM 367 CG PHE A 36 -1.711 15.092 6.849 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.073 16.308 7.118 1.00 0.00 C ATOM 369 CD2 PHE A 36 -2.963 14.822 7.407 1.00 0.00 C ATOM 370 CE1 PHE A 36 -1.688 17.253 7.947 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.579 15.769 8.235 1.00 0.00 C ATOM 372 CZ PHE A 36 -2.941 16.983 8.506 1.00 0.00 C ATOM 0 H PHE A 36 -0.070 12.729 4.070 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.276 14.469 4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.485 13.085 6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.014 13.989 6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.106 16.517 6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.456 13.883 7.200 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.195 18.191 8.155 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.548 15.561 8.665 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.415 17.712 9.147 1.00 0.00 H new ATOM 382 N PRO A 37 -1.531 16.867 4.274 1.00 0.00 N ATOM 383 CA PRO A 37 -1.144 18.274 4.085 1.00 0.00 C ATOM 384 C PRO A 37 -0.564 18.845 5.375 1.00 0.00 C ATOM 385 O PRO A 37 -1.275 19.168 6.304 1.00 0.00 O ATOM 386 CB PRO A 37 -2.456 18.964 3.707 1.00 0.00 C ATOM 387 CG PRO A 37 -3.591 18.059 4.243 1.00 0.00 C ATOM 388 CD PRO A 37 -2.985 16.655 4.431 1.00 0.00 C ATOM 0 HA PRO A 37 -0.372 18.410 3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.512 19.960 4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.534 19.087 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.979 18.443 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.426 18.030 3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.225 16.245 5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.368 15.953 3.690 1.00 0.00 H new ATOM 396 N GLY A 38 0.730 18.958 5.434 1.00 0.00 N ATOM 397 CA GLY A 38 1.385 19.485 6.657 1.00 0.00 C ATOM 398 C GLY A 38 2.398 18.450 7.137 1.00 0.00 C ATOM 399 O GLY A 38 3.290 18.744 7.909 1.00 0.00 O ATOM 0 H GLY A 38 1.368 18.705 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.881 20.432 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.644 19.679 7.432 1.00 0.00 H new ATOM 403 N CYS A 39 2.265 17.234 6.677 1.00 0.00 N ATOM 404 CA CYS A 39 3.216 16.168 7.095 1.00 0.00 C ATOM 405 C CYS A 39 4.612 16.484 6.555 1.00 0.00 C ATOM 406 O CYS A 39 4.781 17.331 5.700 1.00 0.00 O ATOM 407 CB CYS A 39 2.751 14.828 6.527 1.00 0.00 C ATOM 408 SG CYS A 39 3.591 13.482 7.394 1.00 0.00 S ATOM 0 H CYS A 39 1.537 16.935 6.029 1.00 0.00 H new ATOM 0 HA CYS A 39 3.249 16.119 8.183 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.671 14.729 6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.967 14.778 5.460 1.00 0.00 H new ATOM 413 N THR A 40 5.615 15.806 7.046 1.00 0.00 N ATOM 414 CA THR A 40 6.999 16.064 6.558 1.00 0.00 C ATOM 415 C THR A 40 7.867 14.832 6.818 1.00 0.00 C ATOM 416 O THR A 40 9.071 14.927 6.951 1.00 0.00 O ATOM 417 CB THR A 40 7.587 17.267 7.301 1.00 0.00 C ATOM 418 OG1 THR A 40 8.942 17.443 6.911 1.00 0.00 O ATOM 419 CG2 THR A 40 7.515 17.025 8.808 1.00 0.00 C ATOM 0 H THR A 40 5.535 15.085 7.763 1.00 0.00 H new ATOM 0 HA THR A 40 6.974 16.274 5.489 1.00 0.00 H new ATOM 0 HB THR A 40 7.017 18.162 7.054 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.447 16.626 7.106 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.934 17.882 9.335 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.475 16.889 9.105 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.084 16.130 9.060 1.00 0.00 H new ATOM 427 N LYS A 41 7.267 13.675 6.894 1.00 0.00 N ATOM 428 CA LYS A 41 8.063 12.441 7.149 1.00 0.00 C ATOM 429 C LYS A 41 7.822 11.430 6.025 1.00 0.00 C ATOM 430 O LYS A 41 6.700 11.065 5.733 1.00 0.00 O ATOM 431 CB LYS A 41 7.637 11.828 8.485 1.00 0.00 C ATOM 432 CG LYS A 41 8.460 12.448 9.616 1.00 0.00 C ATOM 433 CD LYS A 41 7.900 11.991 10.965 1.00 0.00 C ATOM 434 CE LYS A 41 7.863 10.462 11.012 1.00 0.00 C ATOM 435 NZ LYS A 41 8.341 9.994 12.342 1.00 0.00 N ATOM 0 H LYS A 41 6.262 13.531 6.791 1.00 0.00 H new ATOM 0 HA LYS A 41 9.122 12.695 7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.575 12.003 8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.783 10.748 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.505 12.151 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.430 13.535 9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.518 12.375 11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.898 12.394 11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.848 10.107 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.490 10.048 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.316 8.955 12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.316 10.322 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.725 10.378 13.087 1.00 0.00 H new ATOM 449 N THR A 42 8.870 10.973 5.395 1.00 0.00 N ATOM 450 CA THR A 42 8.709 9.983 4.294 1.00 0.00 C ATOM 451 C THR A 42 9.336 8.653 4.715 1.00 0.00 C ATOM 452 O THR A 42 10.357 8.619 5.372 1.00 0.00 O ATOM 453 CB THR A 42 9.404 10.501 3.034 1.00 0.00 C ATOM 454 OG1 THR A 42 10.800 10.256 3.129 1.00 0.00 O ATOM 455 CG2 THR A 42 9.153 12.003 2.892 1.00 0.00 C ATOM 0 H THR A 42 9.833 11.244 5.596 1.00 0.00 H new ATOM 0 HA THR A 42 7.649 9.837 4.086 1.00 0.00 H new ATOM 0 HB THR A 42 9.005 9.985 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.246 10.586 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.649 12.371 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.081 12.187 2.817 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.550 12.522 3.764 1.00 0.00 H new ATOM 463 N PHE A 43 8.729 7.557 4.351 1.00 0.00 N ATOM 464 CA PHE A 43 9.290 6.233 4.741 1.00 0.00 C ATOM 465 C PHE A 43 9.609 5.422 3.483 1.00 0.00 C ATOM 466 O PHE A 43 9.815 5.970 2.418 1.00 0.00 O ATOM 467 CB PHE A 43 8.265 5.484 5.595 1.00 0.00 C ATOM 468 CG PHE A 43 7.512 6.475 6.453 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.560 7.322 5.871 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.769 6.551 7.827 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.865 8.244 6.663 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.073 7.472 8.619 1.00 0.00 C ATOM 473 CZ PHE A 43 6.121 8.318 8.037 1.00 0.00 C ATOM 0 H PHE A 43 7.870 7.521 3.801 1.00 0.00 H new ATOM 0 HA PHE A 43 10.205 6.376 5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.571 4.938 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.766 4.748 6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.362 7.264 4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.504 5.899 8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.132 8.898 6.214 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.270 7.530 9.679 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.584 9.028 8.649 1.00 0.00 H new ATOM 483 N LYS A 44 9.659 4.123 3.594 1.00 0.00 N ATOM 484 CA LYS A 44 9.972 3.291 2.397 1.00 0.00 C ATOM 485 C LYS A 44 9.605 1.831 2.666 1.00 0.00 C ATOM 486 O LYS A 44 9.988 1.261 3.668 1.00 0.00 O ATOM 487 CB LYS A 44 11.467 3.388 2.090 1.00 0.00 C ATOM 488 CG LYS A 44 12.259 2.679 3.192 1.00 0.00 C ATOM 489 CD LYS A 44 12.669 1.287 2.711 1.00 0.00 C ATOM 490 CE LYS A 44 14.147 1.052 3.028 1.00 0.00 C ATOM 491 NZ LYS A 44 14.880 0.734 1.770 1.00 0.00 N ATOM 0 H LYS A 44 9.498 3.603 4.457 1.00 0.00 H new ATOM 0 HA LYS A 44 9.395 3.655 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.681 2.933 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.769 4.433 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.144 3.261 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.654 2.600 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.057 0.528 3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.497 1.196 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.575 1.938 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.252 0.233 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.885 0.574 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.477 -0.123 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.790 1.529 1.105 1.00 0.00 H new ATOM 505 N ARG A 45 8.873 1.223 1.770 1.00 0.00 N ATOM 506 CA ARG A 45 8.482 -0.205 1.958 1.00 0.00 C ATOM 507 C ARG A 45 8.119 -0.456 3.423 1.00 0.00 C ATOM 508 O ARG A 45 8.935 -0.899 4.206 1.00 0.00 O ATOM 509 CB ARG A 45 9.653 -1.106 1.561 1.00 0.00 C ATOM 510 CG ARG A 45 9.217 -2.046 0.437 1.00 0.00 C ATOM 511 CD ARG A 45 8.228 -3.076 0.988 1.00 0.00 C ATOM 512 NE ARG A 45 8.945 -4.351 1.271 1.00 0.00 N ATOM 513 CZ ARG A 45 8.441 -5.207 2.117 1.00 0.00 C ATOM 514 NH1 ARG A 45 7.155 -5.232 2.332 1.00 0.00 N ATOM 515 NH2 ARG A 45 9.225 -6.039 2.748 1.00 0.00 N ATOM 0 H ARG A 45 8.528 1.656 0.913 1.00 0.00 H new ATOM 0 HA ARG A 45 7.618 -0.428 1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.498 -0.499 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.989 -1.683 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.754 -1.476 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.085 -2.550 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.763 -2.698 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.427 -3.248 0.269 1.00 0.00 H new ATOM 0 HE ARG A 45 9.829 -4.554 0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.543 -4.582 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.761 -5.901 2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.231 -6.019 2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.832 -6.708 3.409 1.00 0.00 H new ATOM 529 N ARG A 46 6.901 -0.182 3.801 1.00 0.00 N ATOM 530 CA ARG A 46 6.493 -0.412 5.216 1.00 0.00 C ATOM 531 C ARG A 46 5.053 0.063 5.420 1.00 0.00 C ATOM 532 O ARG A 46 4.636 1.068 4.879 1.00 0.00 O ATOM 533 CB ARG A 46 7.423 0.366 6.148 1.00 0.00 C ATOM 534 CG ARG A 46 7.722 -0.478 7.388 1.00 0.00 C ATOM 535 CD ARG A 46 8.913 0.121 8.140 1.00 0.00 C ATOM 536 NE ARG A 46 10.148 -0.046 7.325 1.00 0.00 N ATOM 537 CZ ARG A 46 10.634 -1.239 7.112 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.758 -2.078 8.105 1.00 0.00 N ATOM 539 NH2 ARG A 46 10.996 -1.592 5.910 1.00 0.00 N ATOM 0 H ARG A 46 6.172 0.190 3.193 1.00 0.00 H new ATOM 0 HA ARG A 46 6.558 -1.476 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.350 0.614 5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.959 1.308 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.848 -0.511 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.942 -1.505 7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.736 1.178 8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.032 -0.371 9.105 1.00 0.00 H new ATOM 0 HE ARG A 46 10.615 0.772 6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.475 -1.801 9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.137 -3.010 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.900 -0.936 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.376 -2.524 5.745 1.00 0.00 H new ATOM 553 N TYR A 47 4.290 -0.653 6.201 1.00 0.00 N ATOM 554 CA TYR A 47 2.877 -0.247 6.446 1.00 0.00 C ATOM 555 C TYR A 47 2.762 0.283 7.868 1.00 0.00 C ATOM 556 O TYR A 47 1.706 0.260 8.466 1.00 0.00 O ATOM 557 CB TYR A 47 1.934 -1.449 6.304 1.00 0.00 C ATOM 558 CG TYR A 47 2.722 -2.698 6.005 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.374 -3.378 7.042 1.00 0.00 C ATOM 560 CD2 TYR A 47 2.804 -3.173 4.695 1.00 0.00 C ATOM 561 CE1 TYR A 47 4.106 -4.537 6.764 1.00 0.00 C ATOM 562 CE2 TYR A 47 3.536 -4.333 4.415 1.00 0.00 C ATOM 563 CZ TYR A 47 4.189 -5.015 5.450 1.00 0.00 C ATOM 564 OH TYR A 47 4.911 -6.158 5.174 1.00 0.00 O ATOM 0 H TYR A 47 4.585 -1.503 6.681 1.00 0.00 H new ATOM 0 HA TYR A 47 2.599 0.514 5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.363 -1.582 7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.215 -1.264 5.506 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.311 -3.008 8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.303 -2.645 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.607 -5.063 7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.597 -4.702 3.402 1.00 0.00 H new ATOM 0 HH TYR A 47 4.864 -6.351 4.214 1.00 0.00 H new ATOM 574 N ASN A 48 3.841 0.753 8.422 1.00 0.00 N ATOM 575 CA ASN A 48 3.781 1.270 9.807 1.00 0.00 C ATOM 576 C ASN A 48 3.541 2.775 9.757 1.00 0.00 C ATOM 577 O ASN A 48 3.012 3.371 10.679 1.00 0.00 O ATOM 578 CB ASN A 48 5.100 0.980 10.525 1.00 0.00 C ATOM 579 CG ASN A 48 4.929 -0.236 11.436 1.00 0.00 C ATOM 580 OD1 ASN A 48 4.417 -0.121 12.532 1.00 0.00 O ATOM 581 ND2 ASN A 48 5.339 -1.405 11.026 1.00 0.00 N ATOM 0 H ASN A 48 4.757 0.800 7.975 1.00 0.00 H new ATOM 0 HA ASN A 48 2.971 0.783 10.350 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.889 0.794 9.797 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.405 1.847 11.111 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.230 -2.223 11.626 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.769 -1.501 10.106 1.00 0.00 H new ATOM 588 N ILE A 49 3.916 3.392 8.674 1.00 0.00 N ATOM 589 CA ILE A 49 3.699 4.859 8.553 1.00 0.00 C ATOM 590 C ILE A 49 2.188 5.108 8.550 1.00 0.00 C ATOM 591 O ILE A 49 1.714 6.116 9.034 1.00 0.00 O ATOM 592 CB ILE A 49 4.372 5.423 7.272 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.333 5.760 6.195 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.365 4.412 6.692 1.00 0.00 C ATOM 595 CD1 ILE A 49 2.727 4.472 5.645 1.00 0.00 C ATOM 0 H ILE A 49 4.361 2.948 7.871 1.00 0.00 H new ATOM 0 HA ILE A 49 4.159 5.378 9.394 1.00 0.00 H new ATOM 0 HB ILE A 49 4.896 6.334 7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.550 6.391 6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.800 6.326 5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.825 4.827 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.138 4.197 7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.840 3.491 6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.989 4.715 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.514 3.857 5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.244 3.923 6.453 1.00 0.00 H new ATOM 607 N ARG A 50 1.428 4.182 8.025 1.00 0.00 N ATOM 608 CA ARG A 50 -0.049 4.356 8.015 1.00 0.00 C ATOM 609 C ARG A 50 -0.498 4.683 9.437 1.00 0.00 C ATOM 610 O ARG A 50 -1.292 5.575 9.662 1.00 0.00 O ATOM 611 CB ARG A 50 -0.723 3.063 7.549 1.00 0.00 C ATOM 612 CG ARG A 50 -0.059 2.571 6.260 1.00 0.00 C ATOM 613 CD ARG A 50 -1.015 1.636 5.519 1.00 0.00 C ATOM 614 NE ARG A 50 -1.674 0.726 6.496 1.00 0.00 N ATOM 615 CZ ARG A 50 -2.549 -0.149 6.084 1.00 0.00 C ATOM 616 NH1 ARG A 50 -3.648 0.251 5.505 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.323 -1.424 6.250 1.00 0.00 N ATOM 0 H ARG A 50 1.768 3.317 7.605 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.327 5.160 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.644 2.301 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.786 3.236 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.202 3.419 5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.869 2.049 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.766 2.216 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.469 1.055 4.775 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.441 0.787 7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.822 1.248 5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.333 -0.433 5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.463 -1.735 6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.007 -2.109 5.928 1.00 0.00 H new ATOM 631 N SER A 51 0.024 3.975 10.402 1.00 0.00 N ATOM 632 CA SER A 51 -0.351 4.253 11.813 1.00 0.00 C ATOM 633 C SER A 51 0.119 5.662 12.164 1.00 0.00 C ATOM 634 O SER A 51 -0.606 6.446 12.743 1.00 0.00 O ATOM 635 CB SER A 51 0.324 3.238 12.736 1.00 0.00 C ATOM 636 OG SER A 51 -0.362 3.204 13.980 1.00 0.00 O ATOM 0 H SER A 51 0.694 3.217 10.272 1.00 0.00 H new ATOM 0 HA SER A 51 -1.431 4.175 11.938 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.316 2.250 12.276 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.368 3.509 12.891 1.00 0.00 H new ATOM 0 HG SER A 51 0.068 2.553 14.573 1.00 0.00 H new ATOM 642 N HIS A 52 1.325 5.995 11.797 1.00 0.00 N ATOM 643 CA HIS A 52 1.836 7.364 12.089 1.00 0.00 C ATOM 644 C HIS A 52 0.767 8.368 11.654 1.00 0.00 C ATOM 645 O HIS A 52 0.537 9.373 12.299 1.00 0.00 O ATOM 646 CB HIS A 52 3.165 7.585 11.319 1.00 0.00 C ATOM 647 CG HIS A 52 3.183 8.927 10.615 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.118 9.906 10.908 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.366 9.471 9.651 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.838 10.978 10.142 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.775 10.765 9.359 1.00 0.00 N ATOM 0 H HIS A 52 1.977 5.381 11.309 1.00 0.00 H new ATOM 0 HA HIS A 52 2.038 7.495 13.152 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.003 7.526 12.013 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.300 6.788 10.588 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.880 9.829 11.582 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.530 8.966 9.190 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.403 11.898 10.158 1.00 0.00 H new ATOM 659 N ILE A 53 0.112 8.095 10.566 1.00 0.00 N ATOM 660 CA ILE A 53 -0.942 9.020 10.086 1.00 0.00 C ATOM 661 C ILE A 53 -2.140 8.922 11.022 1.00 0.00 C ATOM 662 O ILE A 53 -2.779 9.898 11.332 1.00 0.00 O ATOM 663 CB ILE A 53 -1.378 8.614 8.672 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.154 8.364 7.792 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.217 9.728 8.055 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.609 7.890 6.411 1.00 0.00 C ATOM 0 H ILE A 53 0.262 7.269 9.987 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.557 10.040 10.068 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.967 7.699 8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.434 9.277 7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.491 7.615 8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.526 9.437 7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.100 9.902 8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.626 10.642 8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.263 7.711 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.178 6.966 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.236 8.654 5.952 1.00 0.00 H new ATOM 678 N GLN A 54 -2.453 7.742 11.464 1.00 0.00 N ATOM 679 CA GLN A 54 -3.622 7.576 12.367 1.00 0.00 C ATOM 680 C GLN A 54 -3.473 8.455 13.605 1.00 0.00 C ATOM 681 O GLN A 54 -4.449 8.914 14.161 1.00 0.00 O ATOM 682 CB GLN A 54 -3.735 6.111 12.795 1.00 0.00 C ATOM 683 CG GLN A 54 -5.021 5.511 12.226 1.00 0.00 C ATOM 684 CD GLN A 54 -4.679 4.309 11.344 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.245 3.245 11.500 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.770 4.433 10.416 1.00 0.00 N ATOM 0 H GLN A 54 -1.951 6.883 11.240 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.522 7.875 11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.871 5.550 12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.737 6.038 13.883 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.681 5.204 13.037 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.558 6.261 11.645 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.294 5.326 10.284 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.535 3.637 9.822 1.00 0.00 H new ATOM 695 N THR A 55 -2.279 8.698 14.057 1.00 0.00 N ATOM 696 CA THR A 55 -2.143 9.548 15.267 1.00 0.00 C ATOM 697 C THR A 55 -2.167 11.019 14.866 1.00 0.00 C ATOM 698 O THR A 55 -2.713 11.851 15.565 1.00 0.00 O ATOM 699 CB THR A 55 -0.838 9.218 15.998 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.781 9.950 17.214 1.00 0.00 O ATOM 701 CG2 THR A 55 0.359 9.588 15.121 1.00 0.00 C ATOM 0 H THR A 55 -1.408 8.354 13.652 1.00 0.00 H new ATOM 0 HA THR A 55 -2.977 9.350 15.940 1.00 0.00 H new ATOM 0 HB THR A 55 -0.806 8.150 16.212 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.053 9.739 17.684 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.283 9.350 15.648 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.316 9.023 14.190 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.332 10.655 14.899 1.00 0.00 H new ATOM 709 N HIS A 56 -1.593 11.354 13.750 1.00 0.00 N ATOM 710 CA HIS A 56 -1.601 12.767 13.323 1.00 0.00 C ATOM 711 C HIS A 56 -2.636 12.951 12.218 1.00 0.00 C ATOM 712 O HIS A 56 -2.626 13.921 11.486 1.00 0.00 O ATOM 713 CB HIS A 56 -0.182 13.154 12.897 1.00 0.00 C ATOM 714 CG HIS A 56 0.000 13.283 11.405 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.382 14.411 10.694 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.696 12.508 10.525 1.00 0.00 C ATOM 717 CE1 HIS A 56 0.121 14.287 9.446 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.791 13.139 9.294 1.00 0.00 N ATOM 0 H HIS A 56 -1.120 10.708 13.118 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.890 13.433 14.136 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.081 14.101 13.367 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.516 12.406 13.274 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.939 15.189 11.047 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.114 11.539 10.755 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.003 15.024 8.667 1.00 0.00 H new ATOM 726 N LEU A 57 -3.551 12.021 12.114 1.00 0.00 N ATOM 727 CA LEU A 57 -4.616 12.130 11.085 1.00 0.00 C ATOM 728 C LEU A 57 -5.939 11.558 11.623 1.00 0.00 C ATOM 729 O LEU A 57 -6.968 11.681 10.989 1.00 0.00 O ATOM 730 CB LEU A 57 -4.197 11.367 9.822 1.00 0.00 C ATOM 731 CG LEU A 57 -5.050 11.806 8.626 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.203 13.326 8.628 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.361 11.374 7.329 1.00 0.00 C ATOM 0 H LEU A 57 -3.602 11.189 12.702 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.762 13.182 10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.143 11.549 9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.309 10.295 9.983 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.034 11.343 8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.810 13.632 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.689 13.642 9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.220 13.791 8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.964 11.684 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.378 11.840 7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.250 10.290 7.320 1.00 0.00 H new ATOM 745 N GLU A 58 -5.941 10.941 12.785 1.00 0.00 N ATOM 746 CA GLU A 58 -7.219 10.393 13.317 1.00 0.00 C ATOM 747 C GLU A 58 -7.751 11.320 14.413 1.00 0.00 C ATOM 748 O GLU A 58 -8.824 11.880 14.298 1.00 0.00 O ATOM 749 CB GLU A 58 -6.984 8.997 13.900 1.00 0.00 C ATOM 750 CG GLU A 58 -8.324 8.275 14.056 1.00 0.00 C ATOM 751 CD GLU A 58 -9.019 8.184 12.697 1.00 0.00 C ATOM 752 OE1 GLU A 58 -8.738 7.244 11.972 1.00 0.00 O ATOM 753 OE2 GLU A 58 -9.820 9.056 12.403 1.00 0.00 O ATOM 0 H GLU A 58 -5.122 10.798 13.376 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.946 10.325 12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.325 8.425 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.486 9.074 14.867 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.165 7.276 14.462 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.957 8.810 14.764 1.00 0.00 H new ATOM 760 N ASP A 59 -7.009 11.487 15.472 1.00 0.00 N ATOM 761 CA ASP A 59 -7.471 12.380 16.573 1.00 0.00 C ATOM 762 C ASP A 59 -8.878 11.968 17.008 1.00 0.00 C ATOM 763 O ASP A 59 -9.683 12.790 17.401 1.00 0.00 O ATOM 764 CB ASP A 59 -7.493 13.828 16.080 1.00 0.00 C ATOM 765 CG ASP A 59 -6.061 14.362 15.997 1.00 0.00 C ATOM 766 OD1 ASP A 59 -5.288 13.808 15.233 1.00 0.00 O ATOM 767 OD2 ASP A 59 -5.763 15.314 16.699 1.00 0.00 O ATOM 0 H ASP A 59 -6.103 11.044 15.623 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.790 12.295 17.420 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.970 13.883 15.101 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.084 14.445 16.757 1.00 0.00 H new ATOM 772 N ARG A 60 -9.182 10.700 16.943 1.00 0.00 N ATOM 773 CA ARG A 60 -10.538 10.237 17.353 1.00 0.00 C ATOM 774 C ARG A 60 -11.597 10.940 16.503 1.00 0.00 C ATOM 775 O ARG A 60 -12.043 10.344 15.535 1.00 0.00 O ATOM 776 CB ARG A 60 -10.765 10.572 18.830 1.00 0.00 C ATOM 777 CG ARG A 60 -10.746 9.284 19.655 1.00 0.00 C ATOM 778 CD ARG A 60 -12.172 8.751 19.804 1.00 0.00 C ATOM 779 NE ARG A 60 -12.155 7.263 19.738 1.00 0.00 N ATOM 780 CZ ARG A 60 -13.233 6.584 20.023 1.00 0.00 C ATOM 781 NH1 ARG A 60 -14.405 7.150 19.927 1.00 0.00 N ATOM 782 NH2 ARG A 60 -13.138 5.340 20.405 1.00 0.00 N ATOM 783 OXT ARG A 60 -11.946 12.062 16.833 1.00 0.00 O ATOM 0 H ARG A 60 -8.550 9.965 16.624 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.613 9.159 17.208 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.991 11.253 19.182 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.720 11.082 18.955 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.117 8.538 19.169 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.314 9.475 20.637 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.597 9.079 20.753 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.807 9.154 19.014 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.301 6.774 19.470 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.479 8.123 19.629 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.247 6.620 20.150 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.222 4.898 20.481 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.980 4.809 20.628 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.930 12.051 8.066 1.00 0.00 ZN