USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 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= -0.218 USER MOD Single : A 19 SER OG : rot 170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -121:sc= 0.0765 (180deg=-0.362) 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 156:sc= -0.0358 (180deg=-0.56) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 134:sc= -0.0663 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.182 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+ -156:sc= -0.0441 (180deg=-0.399) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -12.8! K(o=-13!,f=-6.3) USER MOD Single : A 55 THR OG1 : rot -61:sc= 0.383 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -13.434 6.693 14.549 1.00 0.00 N ATOM 2 CA THR A 14 -14.389 5.642 14.100 1.00 0.00 C ATOM 3 C THR A 14 -14.128 5.309 12.631 1.00 0.00 C ATOM 4 O THR A 14 -13.354 5.966 11.963 1.00 0.00 O ATOM 5 CB THR A 14 -15.823 6.154 14.260 1.00 0.00 C ATOM 6 OG1 THR A 14 -16.735 5.129 13.893 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.034 7.374 13.361 1.00 0.00 C ATOM 0 HA THR A 14 -14.253 4.746 14.705 1.00 0.00 H new ATOM 0 HB THR A 14 -15.994 6.437 15.299 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.653 5.455 13.997 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.055 7.738 13.475 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.335 8.160 13.645 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.863 7.094 12.322 1.00 0.00 H new ATOM 17 N LEU A 15 -14.767 4.291 12.120 1.00 0.00 N ATOM 18 CA LEU A 15 -14.555 3.917 10.694 1.00 0.00 C ATOM 19 C LEU A 15 -13.062 3.689 10.440 1.00 0.00 C ATOM 20 O LEU A 15 -12.341 4.615 10.123 1.00 0.00 O ATOM 21 CB LEU A 15 -15.061 5.043 9.789 1.00 0.00 C ATOM 22 CG LEU A 15 -15.865 4.447 8.633 1.00 0.00 C ATOM 23 CD1 LEU A 15 -17.059 5.352 8.322 1.00 0.00 C ATOM 24 CD2 LEU A 15 -14.972 4.338 7.395 1.00 0.00 C ATOM 0 H LEU A 15 -15.427 3.703 12.629 1.00 0.00 H new ATOM 0 HA LEU A 15 -15.104 3.001 10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.683 5.732 10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -14.220 5.619 9.402 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.223 3.456 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.632 4.927 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.695 5.431 9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.701 6.343 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.544 3.913 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.614 5.329 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.121 3.694 7.616 1.00 0.00 H new ATOM 36 N PRO A 16 -12.643 2.458 10.587 1.00 0.00 N ATOM 37 CA PRO A 16 -11.239 2.065 10.379 1.00 0.00 C ATOM 38 C PRO A 16 -10.934 1.954 8.883 1.00 0.00 C ATOM 39 O PRO A 16 -11.770 1.557 8.096 1.00 0.00 O ATOM 40 CB PRO A 16 -11.144 0.699 11.062 1.00 0.00 C ATOM 41 CG PRO A 16 -12.584 0.137 11.117 1.00 0.00 C ATOM 42 CD PRO A 16 -13.532 1.342 10.973 1.00 0.00 C ATOM 0 HA PRO A 16 -10.526 2.785 10.781 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.487 0.031 10.505 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.726 0.794 12.064 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.749 -0.584 10.316 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.761 -0.385 12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.295 1.160 10.216 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.053 1.553 11.907 1.00 0.00 H new ATOM 50 N ARG A 17 -9.742 2.303 8.483 1.00 0.00 N ATOM 51 CA ARG A 17 -9.385 2.219 7.040 1.00 0.00 C ATOM 52 C ARG A 17 -10.255 3.193 6.244 1.00 0.00 C ATOM 53 O ARG A 17 -10.815 2.850 5.222 1.00 0.00 O ATOM 54 CB ARG A 17 -9.625 0.793 6.538 1.00 0.00 C ATOM 55 CG ARG A 17 -8.281 0.093 6.326 1.00 0.00 C ATOM 56 CD ARG A 17 -7.706 -0.328 7.679 1.00 0.00 C ATOM 57 NE ARG A 17 -6.684 0.663 8.116 1.00 0.00 N ATOM 58 CZ ARG A 17 -5.478 0.619 7.619 1.00 0.00 C ATOM 59 NH1 ARG A 17 -4.593 -0.195 8.125 1.00 0.00 N ATOM 60 NH2 ARG A 17 -5.157 1.390 6.615 1.00 0.00 N ATOM 0 H ARG A 17 -9.000 2.643 9.094 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.334 2.478 6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.226 0.239 7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.187 0.815 5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.411 -0.780 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.587 0.761 5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.503 -0.395 8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.258 -1.319 7.603 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.926 1.376 8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.844 -0.797 8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.651 -0.229 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.849 2.027 6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.214 1.356 6.227 1.00 0.00 H new ATOM 74 N GLY A 18 -10.372 4.409 6.704 1.00 0.00 N ATOM 75 CA GLY A 18 -11.204 5.407 5.975 1.00 0.00 C ATOM 76 C GLY A 18 -10.546 6.784 6.065 1.00 0.00 C ATOM 77 O GLY A 18 -11.176 7.760 6.423 1.00 0.00 O ATOM 0 H GLY A 18 -9.927 4.754 7.554 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.313 5.112 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.206 5.443 6.403 1.00 0.00 H new ATOM 81 N SER A 19 -9.285 6.871 5.745 1.00 0.00 N ATOM 82 CA SER A 19 -8.589 8.186 5.813 1.00 0.00 C ATOM 83 C SER A 19 -7.085 7.977 5.623 1.00 0.00 C ATOM 84 O SER A 19 -6.384 8.846 5.141 1.00 0.00 O ATOM 85 CB SER A 19 -8.845 8.830 7.176 1.00 0.00 C ATOM 86 OG SER A 19 -7.870 9.838 7.408 1.00 0.00 O ATOM 0 H SER A 19 -8.706 6.089 5.439 1.00 0.00 H new ATOM 0 HA SER A 19 -8.968 8.838 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.845 9.262 7.205 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.800 8.076 7.962 1.00 0.00 H new ATOM 0 HG SER A 19 -8.121 10.360 8.198 1.00 0.00 H new ATOM 92 N ILE A 20 -6.583 6.832 5.996 1.00 0.00 N ATOM 93 CA ILE A 20 -5.124 6.571 5.833 1.00 0.00 C ATOM 94 C ILE A 20 -4.791 6.472 4.345 1.00 0.00 C ATOM 95 O ILE A 20 -3.792 6.987 3.885 1.00 0.00 O ATOM 96 CB ILE A 20 -4.753 5.258 6.528 1.00 0.00 C ATOM 97 CG1 ILE A 20 -5.595 5.084 7.797 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.271 5.283 6.906 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.631 6.400 8.577 1.00 0.00 C ATOM 0 H ILE A 20 -7.119 6.067 6.406 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.558 7.387 6.282 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.947 4.427 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.608 4.778 7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.175 4.293 8.418 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.006 4.349 7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.668 5.401 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.082 6.118 7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.230 6.272 9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.616 6.687 8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.072 7.179 7.955 1.00 0.00 H new ATOM 111 N ASP A 21 -5.623 5.813 3.590 1.00 0.00 N ATOM 112 CA ASP A 21 -5.360 5.681 2.130 1.00 0.00 C ATOM 113 C ASP A 21 -5.630 7.020 1.443 1.00 0.00 C ATOM 114 O ASP A 21 -5.251 7.236 0.309 1.00 0.00 O ATOM 115 CB ASP A 21 -6.282 4.611 1.539 1.00 0.00 C ATOM 116 CG ASP A 21 -5.993 3.264 2.205 1.00 0.00 C ATOM 117 OD1 ASP A 21 -4.880 2.783 2.064 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.889 2.737 2.843 1.00 0.00 O ATOM 0 H ASP A 21 -6.475 5.359 3.920 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.321 5.392 1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.325 4.889 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.128 4.537 0.463 1.00 0.00 H new ATOM 123 N LYS A 22 -6.284 7.922 2.123 1.00 0.00 N ATOM 124 CA LYS A 22 -6.579 9.248 1.512 1.00 0.00 C ATOM 125 C LYS A 22 -5.370 10.172 1.675 1.00 0.00 C ATOM 126 O LYS A 22 -5.370 11.295 1.212 1.00 0.00 O ATOM 127 CB LYS A 22 -7.793 9.869 2.206 1.00 0.00 C ATOM 128 CG LYS A 22 -8.215 11.137 1.461 1.00 0.00 C ATOM 129 CD LYS A 22 -9.430 11.756 2.155 1.00 0.00 C ATOM 130 CE LYS A 22 -8.974 12.911 3.049 1.00 0.00 C ATOM 131 NZ LYS A 22 -8.660 12.390 4.409 1.00 0.00 N ATOM 0 H LYS A 22 -6.627 7.797 3.076 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.792 9.117 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.617 9.156 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.551 10.107 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.392 11.851 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.456 10.900 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.142 12.116 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.945 11.002 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.095 13.392 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.755 13.669 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.261 12.867 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.840 11.366 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.660 12.572 4.628 1.00 0.00 H new ATOM 145 N TYR A 23 -4.340 9.711 2.331 1.00 0.00 N ATOM 146 CA TYR A 23 -3.138 10.570 2.520 1.00 0.00 C ATOM 147 C TYR A 23 -1.895 9.688 2.661 1.00 0.00 C ATOM 148 O TYR A 23 -1.088 9.876 3.550 1.00 0.00 O ATOM 149 CB TYR A 23 -3.309 11.416 3.781 1.00 0.00 C ATOM 150 CG TYR A 23 -4.055 12.684 3.438 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.691 13.425 2.308 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.109 13.117 4.251 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.382 14.599 1.989 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.801 14.292 3.932 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.436 15.034 2.801 1.00 0.00 C ATOM 156 OH TYR A 23 -6.119 16.191 2.487 1.00 0.00 O ATOM 0 H TYR A 23 -4.279 8.780 2.743 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.021 11.225 1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.855 10.853 4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.334 11.658 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.877 13.091 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.388 12.545 5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.102 15.170 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.616 14.626 4.558 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.821 16.348 3.153 1.00 0.00 H new ATOM 166 N VAL A 24 -1.733 8.732 1.789 1.00 0.00 N ATOM 167 CA VAL A 24 -0.540 7.843 1.874 1.00 0.00 C ATOM 168 C VAL A 24 0.023 7.617 0.470 1.00 0.00 C ATOM 169 O VAL A 24 -0.598 6.990 -0.365 1.00 0.00 O ATOM 170 CB VAL A 24 -0.945 6.498 2.480 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.200 5.498 2.308 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.241 6.679 3.970 1.00 0.00 C ATOM 0 H VAL A 24 -2.374 8.528 1.022 1.00 0.00 H new ATOM 0 HA VAL A 24 0.218 8.311 2.503 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.835 6.124 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.087 4.539 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.414 5.369 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.089 5.872 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.530 5.721 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.350 7.052 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.055 7.394 4.095 1.00 0.00 H new ATOM 182 N LYS A 25 1.196 8.120 0.204 1.00 0.00 N ATOM 183 CA LYS A 25 1.795 7.930 -1.146 1.00 0.00 C ATOM 184 C LYS A 25 2.671 6.676 -1.139 1.00 0.00 C ATOM 185 O LYS A 25 3.882 6.754 -1.079 1.00 0.00 O ATOM 186 CB LYS A 25 2.647 9.149 -1.504 1.00 0.00 C ATOM 187 CG LYS A 25 2.416 9.523 -2.970 1.00 0.00 C ATOM 188 CD LYS A 25 3.538 10.448 -3.446 1.00 0.00 C ATOM 189 CE LYS A 25 2.952 11.810 -3.823 1.00 0.00 C ATOM 190 NZ LYS A 25 3.811 12.449 -4.862 1.00 0.00 N ATOM 0 H LYS A 25 1.765 8.653 0.862 1.00 0.00 H new ATOM 0 HA LYS A 25 1.002 7.816 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.388 9.989 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.702 8.931 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.387 8.624 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.451 10.017 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.284 10.566 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.046 10.009 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.936 11.690 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.892 12.449 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.414 13.375 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.773 12.577 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.846 11.841 -5.705 1.00 0.00 H new ATOM 204 N GLU A 26 2.068 5.521 -1.200 1.00 0.00 N ATOM 205 CA GLU A 26 2.867 4.264 -1.197 1.00 0.00 C ATOM 206 C GLU A 26 3.635 4.153 -2.515 1.00 0.00 C ATOM 207 O GLU A 26 3.117 4.447 -3.573 1.00 0.00 O ATOM 208 CB GLU A 26 1.933 3.061 -1.046 1.00 0.00 C ATOM 209 CG GLU A 26 0.740 3.215 -1.992 1.00 0.00 C ATOM 210 CD GLU A 26 0.513 1.903 -2.746 1.00 0.00 C ATOM 211 OE1 GLU A 26 1.474 1.174 -2.929 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.618 1.649 -3.126 1.00 0.00 O ATOM 0 H GLU A 26 1.057 5.393 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 26 3.569 4.280 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.471 2.140 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.585 2.985 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.153 3.481 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.924 4.025 -2.698 1.00 0.00 H new ATOM 219 N MET A 27 4.870 3.736 -2.460 1.00 0.00 N ATOM 220 CA MET A 27 5.667 3.615 -3.711 1.00 0.00 C ATOM 221 C MET A 27 6.209 2.185 -3.840 1.00 0.00 C ATOM 222 O MET A 27 6.910 1.711 -2.964 1.00 0.00 O ATOM 223 CB MET A 27 6.839 4.597 -3.660 1.00 0.00 C ATOM 224 CG MET A 27 6.804 5.500 -4.895 1.00 0.00 C ATOM 225 SD MET A 27 5.421 6.659 -4.756 1.00 0.00 S ATOM 226 CE MET A 27 6.343 8.160 -5.172 1.00 0.00 C ATOM 0 H MET A 27 5.360 3.475 -1.604 1.00 0.00 H new ATOM 0 HA MET A 27 5.033 3.841 -4.568 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.782 5.200 -2.754 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.782 4.052 -3.622 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.743 6.047 -4.986 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.698 4.897 -5.797 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.657 8.913 -5.560 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.835 8.544 -4.278 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.093 7.928 -5.928 1.00 0.00 H new ATOM 236 N PRO A 28 5.887 1.544 -4.937 1.00 0.00 N ATOM 237 CA PRO A 28 6.343 0.171 -5.202 1.00 0.00 C ATOM 238 C PRO A 28 7.839 0.181 -5.508 1.00 0.00 C ATOM 239 O PRO A 28 8.473 -0.851 -5.615 1.00 0.00 O ATOM 240 CB PRO A 28 5.510 -0.268 -6.410 1.00 0.00 C ATOM 241 CG PRO A 28 5.030 1.030 -7.097 1.00 0.00 C ATOM 242 CD PRO A 28 5.065 2.128 -6.019 1.00 0.00 C ATOM 0 HA PRO A 28 6.212 -0.509 -4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.105 -0.873 -7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.663 -0.879 -6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.677 1.288 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.023 0.909 -7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.505 3.049 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.063 2.375 -5.669 1.00 0.00 H new ATOM 250 N ASP A 29 8.413 1.347 -5.620 1.00 0.00 N ATOM 251 CA ASP A 29 9.869 1.441 -5.884 1.00 0.00 C ATOM 252 C ASP A 29 10.592 1.530 -4.539 1.00 0.00 C ATOM 253 O ASP A 29 11.717 1.979 -4.456 1.00 0.00 O ATOM 254 CB ASP A 29 10.167 2.690 -6.718 1.00 0.00 C ATOM 255 CG ASP A 29 9.329 3.863 -6.205 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.610 4.334 -5.116 1.00 0.00 O ATOM 257 OD2 ASP A 29 8.420 4.268 -6.909 1.00 0.00 O ATOM 0 H ASP A 29 7.930 2.242 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 29 10.209 0.566 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.228 2.934 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.942 2.501 -7.768 1.00 0.00 H new ATOM 262 N LYS A 30 9.931 1.116 -3.484 1.00 0.00 N ATOM 263 CA LYS A 30 10.543 1.169 -2.126 1.00 0.00 C ATOM 264 C LYS A 30 10.559 2.611 -1.628 1.00 0.00 C ATOM 265 O LYS A 30 11.603 3.193 -1.407 1.00 0.00 O ATOM 266 CB LYS A 30 11.970 0.609 -2.157 1.00 0.00 C ATOM 267 CG LYS A 30 11.987 -0.775 -1.508 1.00 0.00 C ATOM 268 CD LYS A 30 13.397 -1.363 -1.594 1.00 0.00 C ATOM 269 CE LYS A 30 13.675 -1.815 -3.029 1.00 0.00 C ATOM 270 NZ LYS A 30 14.184 -3.216 -3.019 1.00 0.00 N ATOM 0 H LYS A 30 8.983 0.740 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 30 9.948 0.558 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.325 0.545 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.647 1.279 -1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.674 -0.703 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.276 -1.432 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.132 -0.619 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.493 -2.207 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.764 -1.752 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.406 -1.154 -3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.373 -3.524 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.063 -3.262 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.472 -3.841 -2.591 1.00 0.00 H new ATOM 284 N THR A 31 9.404 3.192 -1.447 1.00 0.00 N ATOM 285 CA THR A 31 9.349 4.596 -0.961 1.00 0.00 C ATOM 286 C THR A 31 7.982 4.872 -0.330 1.00 0.00 C ATOM 287 O THR A 31 7.112 4.023 -0.306 1.00 0.00 O ATOM 288 CB THR A 31 9.567 5.547 -2.133 1.00 0.00 C ATOM 289 OG1 THR A 31 10.481 4.963 -3.051 1.00 0.00 O ATOM 290 CG2 THR A 31 10.130 6.873 -1.621 1.00 0.00 C ATOM 0 H THR A 31 8.498 2.754 -1.615 1.00 0.00 H new ATOM 0 HA THR A 31 10.128 4.749 -0.214 1.00 0.00 H new ATOM 0 HB THR A 31 8.616 5.730 -2.634 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.134 5.057 -3.963 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.285 7.551 -2.460 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.426 7.320 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.081 6.695 -1.118 1.00 0.00 H new ATOM 298 N PHE A 32 7.790 6.055 0.183 1.00 0.00 N ATOM 299 CA PHE A 32 6.489 6.398 0.820 1.00 0.00 C ATOM 300 C PHE A 32 6.434 7.909 1.049 1.00 0.00 C ATOM 301 O PHE A 32 7.444 8.545 1.278 1.00 0.00 O ATOM 302 CB PHE A 32 6.377 5.676 2.163 1.00 0.00 C ATOM 303 CG PHE A 32 5.477 4.473 2.021 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.089 4.641 1.944 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.029 3.187 1.967 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.253 3.525 1.814 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.194 2.071 1.837 1.00 0.00 C ATOM 308 CZ PHE A 32 3.807 2.240 1.760 1.00 0.00 C ATOM 0 H PHE A 32 8.483 6.803 0.188 1.00 0.00 H new ATOM 0 HA PHE A 32 5.666 6.091 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.365 5.365 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.978 6.353 2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.663 5.632 1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.099 3.056 2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.182 3.655 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.620 1.080 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.163 1.379 1.659 1.00 0.00 H new ATOM 318 N GLU A 33 5.271 8.496 0.986 1.00 0.00 N ATOM 319 CA GLU A 33 5.182 9.967 1.199 1.00 0.00 C ATOM 320 C GLU A 33 3.823 10.334 1.799 1.00 0.00 C ATOM 321 O GLU A 33 2.869 10.586 1.090 1.00 0.00 O ATOM 322 CB GLU A 33 5.356 10.685 -0.141 1.00 0.00 C ATOM 323 CG GLU A 33 6.135 11.983 0.072 1.00 0.00 C ATOM 324 CD GLU A 33 6.292 12.710 -1.264 1.00 0.00 C ATOM 325 OE1 GLU A 33 5.957 12.122 -2.279 1.00 0.00 O ATOM 326 OE2 GLU A 33 6.745 13.842 -1.250 1.00 0.00 O ATOM 0 H GLU A 33 4.386 8.025 0.798 1.00 0.00 H new ATOM 0 HA GLU A 33 5.968 10.274 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.886 10.042 -0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.381 10.901 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.612 12.620 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.115 11.766 0.497 1.00 0.00 H new ATOM 333 N CYS A 34 3.732 10.385 3.101 1.00 0.00 N ATOM 334 CA CYS A 34 2.440 10.761 3.744 1.00 0.00 C ATOM 335 C CYS A 34 1.877 11.978 3.006 1.00 0.00 C ATOM 336 O CYS A 34 2.428 13.059 3.062 1.00 0.00 O ATOM 337 CB CYS A 34 2.698 11.107 5.213 1.00 0.00 C ATOM 338 SG CYS A 34 1.135 11.258 6.117 1.00 0.00 S ATOM 0 H CYS A 34 4.496 10.183 3.746 1.00 0.00 H new ATOM 0 HA CYS A 34 1.727 9.938 3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.316 10.335 5.671 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.255 12.042 5.280 1.00 0.00 H new ATOM 343 N LEU A 35 0.798 11.806 2.291 1.00 0.00 N ATOM 344 CA LEU A 35 0.219 12.946 1.525 1.00 0.00 C ATOM 345 C LEU A 35 -0.543 13.897 2.454 1.00 0.00 C ATOM 346 O LEU A 35 -1.223 14.795 2.001 1.00 0.00 O ATOM 347 CB LEU A 35 -0.737 12.406 0.459 1.00 0.00 C ATOM 348 CG LEU A 35 0.069 11.772 -0.675 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.384 10.325 -0.875 1.00 0.00 C ATOM 350 CD2 LEU A 35 -0.160 12.561 -1.966 1.00 0.00 C ATOM 0 H LEU A 35 0.292 10.924 2.204 1.00 0.00 H new ATOM 0 HA LEU A 35 1.033 13.498 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.409 11.669 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.359 13.213 0.071 1.00 0.00 H new ATOM 0 HG LEU A 35 1.129 11.789 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.190 9.872 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.222 9.763 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.444 10.307 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.414 12.110 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.220 12.544 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.162 13.593 -1.824 1.00 0.00 H new ATOM 362 N PHE A 36 -0.440 13.723 3.744 1.00 0.00 N ATOM 363 CA PHE A 36 -1.171 14.641 4.660 1.00 0.00 C ATOM 364 C PHE A 36 -0.564 16.043 4.557 1.00 0.00 C ATOM 365 O PHE A 36 0.642 16.190 4.496 1.00 0.00 O ATOM 366 CB PHE A 36 -1.050 14.142 6.098 1.00 0.00 C ATOM 367 CG PHE A 36 -1.940 14.975 6.987 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.579 16.288 7.311 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.127 14.433 7.487 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.406 17.058 8.136 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.957 15.203 8.313 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.594 16.516 8.638 1.00 0.00 C ATOM 0 H PHE A 36 0.111 12.995 4.198 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.223 14.671 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.337 13.092 6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.015 14.209 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.662 16.707 6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.405 13.420 7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.127 18.071 8.385 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.875 14.785 8.698 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.231 17.110 9.276 1.00 0.00 H new ATOM 382 N PRO A 37 -1.415 17.037 4.547 1.00 0.00 N ATOM 383 CA PRO A 37 -0.983 18.440 4.453 1.00 0.00 C ATOM 384 C PRO A 37 -0.393 18.898 5.785 1.00 0.00 C ATOM 385 O PRO A 37 -1.055 18.908 6.802 1.00 0.00 O ATOM 386 CB PRO A 37 -2.271 19.196 4.114 1.00 0.00 C ATOM 387 CG PRO A 37 -3.438 18.293 4.575 1.00 0.00 C ATOM 388 CD PRO A 37 -2.880 16.859 4.640 1.00 0.00 C ATOM 0 HA PRO A 37 -0.204 18.607 3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.301 20.160 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.334 19.397 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.812 18.609 5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.274 18.353 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.163 16.363 5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.260 16.246 3.822 1.00 0.00 H new ATOM 396 N GLY A 38 0.858 19.257 5.784 1.00 0.00 N ATOM 397 CA GLY A 38 1.509 19.694 7.047 1.00 0.00 C ATOM 398 C GLY A 38 2.476 18.600 7.496 1.00 0.00 C ATOM 399 O GLY A 38 3.402 18.842 8.245 1.00 0.00 O ATOM 0 H GLY A 38 1.460 19.267 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.043 20.632 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.759 19.876 7.817 1.00 0.00 H new ATOM 403 N CYS A 39 2.265 17.394 7.038 1.00 0.00 N ATOM 404 CA CYS A 39 3.172 16.280 7.432 1.00 0.00 C ATOM 405 C CYS A 39 4.611 16.634 7.052 1.00 0.00 C ATOM 406 O CYS A 39 4.855 17.548 6.289 1.00 0.00 O ATOM 407 CB CYS A 39 2.755 15.007 6.696 1.00 0.00 C ATOM 408 SG CYS A 39 3.580 13.581 7.444 1.00 0.00 S ATOM 0 H CYS A 39 1.505 17.134 6.409 1.00 0.00 H new ATOM 0 HA CYS A 39 3.108 16.122 8.509 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.673 14.883 6.746 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.019 15.081 5.641 1.00 0.00 H new ATOM 413 N THR A 40 5.567 15.916 7.575 1.00 0.00 N ATOM 414 CA THR A 40 6.987 16.210 7.240 1.00 0.00 C ATOM 415 C THR A 40 7.835 14.957 7.468 1.00 0.00 C ATOM 416 O THR A 40 8.981 15.039 7.862 1.00 0.00 O ATOM 417 CB THR A 40 7.498 17.339 8.137 1.00 0.00 C ATOM 418 OG1 THR A 40 6.422 17.847 8.914 1.00 0.00 O ATOM 419 CG2 THR A 40 8.079 18.459 7.274 1.00 0.00 C ATOM 0 H THR A 40 5.425 15.139 8.220 1.00 0.00 H new ATOM 0 HA THR A 40 7.059 16.513 6.195 1.00 0.00 H new ATOM 0 HB THR A 40 8.275 16.954 8.797 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.747 18.569 9.491 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.442 19.262 7.916 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.905 18.069 6.679 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.305 18.846 6.611 1.00 0.00 H new ATOM 427 N LYS A 41 7.283 13.798 7.231 1.00 0.00 N ATOM 428 CA LYS A 41 8.071 12.550 7.445 1.00 0.00 C ATOM 429 C LYS A 41 7.727 11.517 6.368 1.00 0.00 C ATOM 430 O LYS A 41 6.661 10.936 6.370 1.00 0.00 O ATOM 431 CB LYS A 41 7.741 11.973 8.822 1.00 0.00 C ATOM 432 CG LYS A 41 8.799 12.421 9.833 1.00 0.00 C ATOM 433 CD LYS A 41 8.115 12.874 11.125 1.00 0.00 C ATOM 434 CE LYS A 41 7.092 13.965 10.805 1.00 0.00 C ATOM 435 NZ LYS A 41 6.828 14.772 12.031 1.00 0.00 N ATOM 0 H LYS A 41 6.328 13.661 6.901 1.00 0.00 H new ATOM 0 HA LYS A 41 9.134 12.786 7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.754 12.308 9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.708 10.885 8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.487 11.602 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.391 13.237 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.622 12.028 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.857 13.251 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.466 14.607 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.166 13.516 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.132 15.514 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.454 14.154 12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.713 15.211 12.355 1.00 0.00 H new ATOM 449 N THR A 42 8.630 11.275 5.455 1.00 0.00 N ATOM 450 CA THR A 42 8.364 10.267 4.389 1.00 0.00 C ATOM 451 C THR A 42 9.075 8.963 4.751 1.00 0.00 C ATOM 452 O THR A 42 9.927 8.934 5.617 1.00 0.00 O ATOM 453 CB THR A 42 8.894 10.779 3.048 1.00 0.00 C ATOM 454 OG1 THR A 42 10.287 10.515 2.958 1.00 0.00 O ATOM 455 CG2 THR A 42 8.649 12.283 2.937 1.00 0.00 C ATOM 0 H THR A 42 9.540 11.732 5.402 1.00 0.00 H new ATOM 0 HA THR A 42 7.291 10.096 4.307 1.00 0.00 H new ATOM 0 HB THR A 42 8.374 10.270 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.627 10.841 2.099 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.028 12.644 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.580 12.483 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.165 12.797 3.749 1.00 0.00 H new ATOM 463 N PHE A 43 8.732 7.882 4.108 1.00 0.00 N ATOM 464 CA PHE A 43 9.394 6.587 4.436 1.00 0.00 C ATOM 465 C PHE A 43 9.569 5.762 3.160 1.00 0.00 C ATOM 466 O PHE A 43 9.466 6.269 2.061 1.00 0.00 O ATOM 467 CB PHE A 43 8.532 5.809 5.435 1.00 0.00 C ATOM 468 CG PHE A 43 7.763 6.773 6.312 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.712 7.526 5.772 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.098 6.909 7.664 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.998 8.414 6.584 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.382 7.797 8.476 1.00 0.00 C ATOM 473 CZ PHE A 43 6.333 8.549 7.936 1.00 0.00 C ATOM 0 H PHE A 43 8.026 7.838 3.373 1.00 0.00 H new ATOM 0 HA PHE A 43 10.372 6.783 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.840 5.158 4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.163 5.168 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.453 7.421 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.908 6.329 8.081 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.189 8.995 6.167 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.640 7.901 9.520 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.782 9.234 8.563 1.00 0.00 H new ATOM 483 N LYS A 44 9.834 4.491 3.297 1.00 0.00 N ATOM 484 CA LYS A 44 10.018 3.635 2.092 1.00 0.00 C ATOM 485 C LYS A 44 9.798 2.167 2.466 1.00 0.00 C ATOM 486 O LYS A 44 10.323 1.683 3.449 1.00 0.00 O ATOM 487 CB LYS A 44 11.438 3.814 1.550 1.00 0.00 C ATOM 488 CG LYS A 44 12.446 3.552 2.669 1.00 0.00 C ATOM 489 CD LYS A 44 13.857 3.500 2.084 1.00 0.00 C ATOM 490 CE LYS A 44 14.088 2.138 1.428 1.00 0.00 C ATOM 491 NZ LYS A 44 14.232 1.096 2.485 1.00 0.00 N ATOM 0 H LYS A 44 9.931 4.009 4.191 1.00 0.00 H new ATOM 0 HA LYS A 44 9.297 3.927 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.612 3.128 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.565 4.824 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.382 4.338 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.214 2.612 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.987 4.296 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.594 3.667 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.253 1.892 0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.984 2.168 0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.772 0.291 2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.734 1.498 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.290 0.771 2.783 1.00 0.00 H new ATOM 505 N ARG A 45 9.027 1.456 1.690 1.00 0.00 N ATOM 506 CA ARG A 45 8.773 0.020 2.001 1.00 0.00 C ATOM 507 C ARG A 45 8.508 -0.138 3.499 1.00 0.00 C ATOM 508 O ARG A 45 9.259 -0.779 4.208 1.00 0.00 O ATOM 509 CB ARG A 45 9.998 -0.808 1.610 1.00 0.00 C ATOM 510 CG ARG A 45 9.589 -1.881 0.598 1.00 0.00 C ATOM 511 CD ARG A 45 9.600 -3.250 1.275 1.00 0.00 C ATOM 512 NE ARG A 45 9.492 -4.315 0.238 1.00 0.00 N ATOM 513 CZ ARG A 45 9.593 -5.569 0.579 1.00 0.00 C ATOM 514 NH1 ARG A 45 10.767 -6.135 0.648 1.00 0.00 N ATOM 515 NH2 ARG A 45 8.519 -6.259 0.850 1.00 0.00 N ATOM 0 H ARG A 45 8.561 1.807 0.853 1.00 0.00 H new ATOM 0 HA ARG A 45 7.905 -0.326 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.764 -0.162 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.432 -1.274 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.595 -1.666 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.275 -1.877 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.518 -3.377 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.771 -3.327 1.979 1.00 0.00 H new ATOM 0 HE ARG A 45 9.339 -4.063 -0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.606 -5.596 0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.845 -7.116 0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.601 -5.817 0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.597 -7.240 1.117 1.00 0.00 H new ATOM 529 N ARG A 46 7.447 0.442 3.989 1.00 0.00 N ATOM 530 CA ARG A 46 7.140 0.324 5.443 1.00 0.00 C ATOM 531 C ARG A 46 5.640 0.525 5.670 1.00 0.00 C ATOM 532 O ARG A 46 5.047 1.464 5.177 1.00 0.00 O ATOM 533 CB ARG A 46 7.920 1.390 6.216 1.00 0.00 C ATOM 534 CG ARG A 46 9.333 0.879 6.507 1.00 0.00 C ATOM 535 CD ARG A 46 9.667 1.115 7.981 1.00 0.00 C ATOM 536 NE ARG A 46 11.107 0.808 8.220 1.00 0.00 N ATOM 537 CZ ARG A 46 11.894 1.721 8.721 1.00 0.00 C ATOM 538 NH1 ARG A 46 11.856 1.987 9.997 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.720 2.366 7.944 1.00 0.00 N ATOM 0 H ARG A 46 6.780 0.992 3.447 1.00 0.00 H new ATOM 0 HA ARG A 46 7.429 -0.666 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.968 2.312 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.408 1.625 7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.402 -0.183 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.055 1.393 5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.455 2.149 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.040 0.485 8.612 1.00 0.00 H new ATOM 0 HE ARG A 46 11.477 -0.115 7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.211 1.481 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.471 2.701 10.388 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.750 2.157 6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.335 3.080 8.334 1.00 0.00 H new ATOM 553 N TYR A 47 5.026 -0.349 6.418 1.00 0.00 N ATOM 554 CA TYR A 47 3.565 -0.211 6.686 1.00 0.00 C ATOM 555 C TYR A 47 3.383 0.356 8.085 1.00 0.00 C ATOM 556 O TYR A 47 2.319 0.275 8.667 1.00 0.00 O ATOM 557 CB TYR A 47 2.867 -1.578 6.623 1.00 0.00 C ATOM 558 CG TYR A 47 3.873 -2.666 6.349 1.00 0.00 C ATOM 559 CD1 TYR A 47 4.480 -2.753 5.095 1.00 0.00 C ATOM 560 CD2 TYR A 47 4.197 -3.585 7.353 1.00 0.00 C ATOM 561 CE1 TYR A 47 5.416 -3.762 4.838 1.00 0.00 C ATOM 562 CE2 TYR A 47 5.133 -4.595 7.100 1.00 0.00 C ATOM 563 CZ TYR A 47 5.742 -4.684 5.841 1.00 0.00 C ATOM 564 OH TYR A 47 6.665 -5.679 5.590 1.00 0.00 O ATOM 0 H TYR A 47 5.473 -1.154 6.856 1.00 0.00 H new ATOM 0 HA TYR A 47 3.129 0.445 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.354 -1.776 7.564 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.107 -1.570 5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.227 -2.042 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.726 -3.515 8.322 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.886 -3.829 3.868 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.385 -5.305 7.874 1.00 0.00 H new ATOM 0 HH TYR A 47 6.776 -6.232 6.392 1.00 0.00 H new ATOM 574 N ASN A 48 4.413 0.927 8.635 1.00 0.00 N ATOM 575 CA ASN A 48 4.296 1.491 9.998 1.00 0.00 C ATOM 576 C ASN A 48 3.988 2.981 9.885 1.00 0.00 C ATOM 577 O ASN A 48 3.520 3.610 10.817 1.00 0.00 O ATOM 578 CB ASN A 48 5.612 1.293 10.754 1.00 0.00 C ATOM 579 CG ASN A 48 5.733 -0.167 11.197 1.00 0.00 C ATOM 580 OD1 ASN A 48 4.881 -0.673 11.901 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.764 -0.869 10.814 1.00 0.00 N ATOM 0 H ASN A 48 5.329 1.026 8.198 1.00 0.00 H new ATOM 0 HA ASN A 48 3.497 0.986 10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.454 1.561 10.116 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.647 1.951 11.622 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.855 -1.842 11.105 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.479 -0.445 10.223 1.00 0.00 H new ATOM 588 N ILE A 49 4.238 3.548 8.739 1.00 0.00 N ATOM 589 CA ILE A 49 3.953 4.997 8.557 1.00 0.00 C ATOM 590 C ILE A 49 2.434 5.175 8.478 1.00 0.00 C ATOM 591 O ILE A 49 1.902 6.210 8.826 1.00 0.00 O ATOM 592 CB ILE A 49 4.663 5.548 7.289 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.667 5.810 6.153 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.721 4.560 6.792 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.188 4.482 5.572 1.00 0.00 C ATOM 0 H ILE A 49 4.626 3.073 7.924 1.00 0.00 H new ATOM 0 HA ILE A 49 4.342 5.567 9.401 1.00 0.00 H new ATOM 0 HB ILE A 49 5.134 6.489 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.818 6.382 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.138 6.410 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.207 4.964 5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.465 4.401 7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.245 3.611 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.480 4.672 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.041 3.926 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.700 3.898 6.353 1.00 0.00 H new ATOM 607 N ARG A 50 1.731 4.162 8.044 1.00 0.00 N ATOM 608 CA ARG A 50 0.251 4.272 7.973 1.00 0.00 C ATOM 609 C ARG A 50 -0.267 4.522 9.385 1.00 0.00 C ATOM 610 O ARG A 50 -1.211 5.256 9.597 1.00 0.00 O ATOM 611 CB ARG A 50 -0.344 2.973 7.425 1.00 0.00 C ATOM 612 CG ARG A 50 0.495 2.484 6.243 1.00 0.00 C ATOM 613 CD ARG A 50 -0.350 2.515 4.968 1.00 0.00 C ATOM 614 NE ARG A 50 -0.721 1.124 4.584 1.00 0.00 N ATOM 615 CZ ARG A 50 -0.084 0.524 3.617 1.00 0.00 C ATOM 616 NH1 ARG A 50 1.167 0.810 3.382 1.00 0.00 N ATOM 617 NH2 ARG A 50 -0.698 -0.364 2.883 1.00 0.00 N ATOM 0 H ARG A 50 2.118 3.269 7.738 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.037 5.088 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.367 2.214 8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.374 3.138 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.376 3.115 6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.851 1.471 6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.248 3.111 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.208 2.990 4.161 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.472 0.642 5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.648 1.504 3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.664 0.340 2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.676 -0.589 3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.200 -0.833 2.127 1.00 0.00 H new ATOM 631 N SER A 51 0.369 3.931 10.359 1.00 0.00 N ATOM 632 CA SER A 51 -0.056 4.150 11.763 1.00 0.00 C ATOM 633 C SER A 51 0.392 5.549 12.177 1.00 0.00 C ATOM 634 O SER A 51 -0.270 6.232 12.932 1.00 0.00 O ATOM 635 CB SER A 51 0.601 3.106 12.667 1.00 0.00 C ATOM 636 OG SER A 51 0.301 3.402 14.025 1.00 0.00 O ATOM 0 H SER A 51 1.166 3.305 10.239 1.00 0.00 H new ATOM 0 HA SER A 51 -1.138 4.057 11.853 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.240 2.109 12.412 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.680 3.103 12.514 1.00 0.00 H new ATOM 0 HG SER A 51 0.720 2.733 14.606 1.00 0.00 H new ATOM 642 N HIS A 52 1.515 5.984 11.667 1.00 0.00 N ATOM 643 CA HIS A 52 2.012 7.346 12.008 1.00 0.00 C ATOM 644 C HIS A 52 0.930 8.362 11.652 1.00 0.00 C ATOM 645 O HIS A 52 0.676 9.297 12.385 1.00 0.00 O ATOM 646 CB HIS A 52 3.322 7.621 11.227 1.00 0.00 C ATOM 647 CG HIS A 52 3.291 8.984 10.567 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.176 9.994 10.910 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.466 9.523 9.608 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.859 11.078 10.176 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.820 10.843 9.367 1.00 0.00 N ATOM 0 H HIS A 52 2.108 5.453 11.029 1.00 0.00 H new ATOM 0 HA HIS A 52 2.229 7.425 13.073 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.172 7.562 11.906 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.465 6.850 10.469 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.930 9.928 11.594 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.662 8.997 9.115 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.380 12.022 10.234 1.00 0.00 H new ATOM 659 N ILE A 53 0.284 8.184 10.537 1.00 0.00 N ATOM 660 CA ILE A 53 -0.783 9.151 10.163 1.00 0.00 C ATOM 661 C ILE A 53 -1.938 8.969 11.133 1.00 0.00 C ATOM 662 O ILE A 53 -2.420 9.910 11.715 1.00 0.00 O ATOM 663 CB ILE A 53 -1.294 8.924 8.727 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.461 7.867 7.997 1.00 0.00 C ATOM 665 CG2 ILE A 53 -1.216 10.239 7.951 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.974 7.720 6.565 1.00 0.00 C ATOM 0 H ILE A 53 0.444 7.423 9.876 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.371 10.159 10.209 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.324 8.572 8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.590 8.156 7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.526 6.912 8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.577 10.083 6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.834 10.990 8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.182 10.583 7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.383 6.968 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.019 7.412 6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.886 8.675 6.047 1.00 0.00 H new ATOM 678 N GLN A 54 -2.378 7.761 11.319 1.00 0.00 N ATOM 679 CA GLN A 54 -3.504 7.521 12.260 1.00 0.00 C ATOM 680 C GLN A 54 -3.286 8.330 13.533 1.00 0.00 C ATOM 681 O GLN A 54 -4.226 8.695 14.208 1.00 0.00 O ATOM 682 CB GLN A 54 -3.587 6.032 12.602 1.00 0.00 C ATOM 683 CG GLN A 54 -4.835 5.428 11.956 1.00 0.00 C ATOM 684 CD GLN A 54 -4.421 4.542 10.780 1.00 0.00 C ATOM 685 OE1 GLN A 54 -4.823 3.398 10.695 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.630 5.025 9.862 1.00 0.00 N ATOM 0 H GLN A 54 -2.008 6.928 10.861 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.437 7.831 11.790 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.695 5.516 12.247 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.623 5.898 13.683 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.390 4.842 12.689 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.500 6.221 11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.293 5.985 9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.349 4.443 9.073 1.00 0.00 H new ATOM 695 N THR A 55 -2.063 8.632 13.871 1.00 0.00 N ATOM 696 CA THR A 55 -1.840 9.436 15.098 1.00 0.00 C ATOM 697 C THR A 55 -2.077 10.904 14.764 1.00 0.00 C ATOM 698 O THR A 55 -2.856 11.580 15.408 1.00 0.00 O ATOM 699 CB THR A 55 -0.410 9.236 15.606 1.00 0.00 C ATOM 700 OG1 THR A 55 0.496 9.896 14.733 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.084 7.742 15.649 1.00 0.00 C ATOM 0 H THR A 55 -1.223 8.361 13.359 1.00 0.00 H new ATOM 0 HA THR A 55 -2.529 9.117 15.881 1.00 0.00 H new ATOM 0 HB THR A 55 -0.319 9.653 16.609 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.421 9.514 13.834 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.935 7.602 16.011 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.780 7.237 16.319 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.174 7.321 14.648 1.00 0.00 H new ATOM 709 N HIS A 56 -1.430 11.398 13.750 1.00 0.00 N ATOM 710 CA HIS A 56 -1.637 12.808 13.362 1.00 0.00 C ATOM 711 C HIS A 56 -2.706 12.859 12.274 1.00 0.00 C ATOM 712 O HIS A 56 -2.751 13.756 11.454 1.00 0.00 O ATOM 713 CB HIS A 56 -0.299 13.401 12.912 1.00 0.00 C ATOM 714 CG HIS A 56 -0.104 13.399 11.415 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.563 14.426 10.602 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.665 12.606 10.610 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.035 14.234 9.374 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.727 13.136 9.327 1.00 0.00 N ATOM 0 H HIS A 56 -0.766 10.881 13.174 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.990 13.409 14.200 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.225 14.425 13.277 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.511 12.838 13.375 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.184 15.185 10.881 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.155 11.697 10.926 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.207 14.888 8.532 1.00 0.00 H new ATOM 726 N LEU A 57 -3.575 11.883 12.286 1.00 0.00 N ATOM 727 CA LEU A 57 -4.671 11.820 11.291 1.00 0.00 C ATOM 728 C LEU A 57 -5.975 11.442 12.006 1.00 0.00 C ATOM 729 O LEU A 57 -7.053 11.782 11.560 1.00 0.00 O ATOM 730 CB LEU A 57 -4.333 10.758 10.238 1.00 0.00 C ATOM 731 CG LEU A 57 -5.142 11.002 8.963 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.049 12.474 8.569 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.572 10.141 7.834 1.00 0.00 C ATOM 0 H LEU A 57 -3.566 11.116 12.958 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.790 12.788 10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.267 10.786 10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.550 9.764 10.630 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.185 10.740 9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.626 12.645 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.448 13.092 9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.006 12.738 8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.145 10.311 6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.529 10.409 7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.635 9.089 8.112 1.00 0.00 H new ATOM 745 N GLU A 58 -5.894 10.744 13.117 1.00 0.00 N ATOM 746 CA GLU A 58 -7.139 10.363 13.842 1.00 0.00 C ATOM 747 C GLU A 58 -8.011 11.605 14.035 1.00 0.00 C ATOM 748 O GLU A 58 -9.222 11.523 14.093 1.00 0.00 O ATOM 749 CB GLU A 58 -6.778 9.777 15.208 1.00 0.00 C ATOM 750 CG GLU A 58 -6.066 10.839 16.048 1.00 0.00 C ATOM 751 CD GLU A 58 -5.928 10.344 17.490 1.00 0.00 C ATOM 752 OE1 GLU A 58 -6.581 9.370 17.827 1.00 0.00 O ATOM 753 OE2 GLU A 58 -5.173 10.949 18.233 1.00 0.00 O ATOM 0 H GLU A 58 -5.025 10.427 13.546 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.685 9.618 13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.679 9.438 15.719 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.135 8.906 15.083 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.082 11.049 15.629 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.628 11.773 16.025 1.00 0.00 H new ATOM 760 N ASP A 59 -7.402 12.756 14.135 1.00 0.00 N ATOM 761 CA ASP A 59 -8.194 14.004 14.324 1.00 0.00 C ATOM 762 C ASP A 59 -8.685 14.081 15.771 1.00 0.00 C ATOM 763 O ASP A 59 -9.861 13.940 16.045 1.00 0.00 O ATOM 764 CB ASP A 59 -9.395 13.993 13.377 1.00 0.00 C ATOM 765 CG ASP A 59 -9.842 15.430 13.102 1.00 0.00 C ATOM 766 OD1 ASP A 59 -9.007 16.315 13.182 1.00 0.00 O ATOM 767 OD2 ASP A 59 -11.012 15.620 12.816 1.00 0.00 O ATOM 0 H ASP A 59 -6.391 12.885 14.094 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.568 14.869 14.106 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.130 13.498 12.443 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.214 13.424 13.818 1.00 0.00 H new ATOM 772 N ARG A 60 -7.795 14.305 16.698 1.00 0.00 N ATOM 773 CA ARG A 60 -8.213 14.392 18.126 1.00 0.00 C ATOM 774 C ARG A 60 -9.459 15.272 18.239 1.00 0.00 C ATOM 775 O ARG A 60 -10.524 14.728 18.475 1.00 0.00 O ATOM 776 CB ARG A 60 -7.079 15.004 18.952 1.00 0.00 C ATOM 777 CG ARG A 60 -7.412 14.887 20.441 1.00 0.00 C ATOM 778 CD ARG A 60 -6.286 14.141 21.159 1.00 0.00 C ATOM 779 NE ARG A 60 -6.011 14.800 22.467 1.00 0.00 N ATOM 780 CZ ARG A 60 -5.004 15.623 22.583 1.00 0.00 C ATOM 781 NH1 ARG A 60 -4.490 16.179 21.521 1.00 0.00 N ATOM 782 NH2 ARG A 60 -4.512 15.889 23.762 1.00 0.00 N ATOM 783 OXT ARG A 60 -9.326 16.475 18.086 1.00 0.00 O ATOM 0 H ARG A 60 -6.797 14.432 16.529 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.438 13.394 18.501 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.141 14.492 18.737 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.941 16.051 18.680 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.540 15.879 20.875 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.355 14.357 20.573 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.567 13.100 21.316 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.386 14.139 20.544 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.609 14.608 23.271 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.875 15.971 20.600 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.703 16.822 21.612 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.914 15.454 24.592 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.725 16.532 23.853 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.934 12.119 8.098 1.00 0.00 ZN