USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=10 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 Set 1.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 43:sc= 0.101 USER MOD Single : A 19 SER OG : rot 28:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 133:sc= 0.601 USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.48! 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+ -177:sc= 0 (180deg=-0.00516) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -7.87! K(o=-7.9!,f=-1.9) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -13.284 8.012 15.042 1.00 0.00 N ATOM 2 CA THR A 14 -12.499 7.121 14.142 1.00 0.00 C ATOM 3 C THR A 14 -13.147 7.097 12.757 1.00 0.00 C ATOM 4 O THR A 14 -14.115 6.401 12.526 1.00 0.00 O ATOM 5 CB THR A 14 -12.476 5.704 14.720 1.00 0.00 C ATOM 6 OG1 THR A 14 -11.897 5.733 16.018 1.00 0.00 O ATOM 7 CG2 THR A 14 -11.649 4.793 13.810 1.00 0.00 C ATOM 0 HA THR A 14 -11.479 7.496 14.059 1.00 0.00 H new ATOM 0 HB THR A 14 -13.494 5.321 14.785 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.248 6.501 16.516 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.633 3.784 14.222 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.094 4.771 12.815 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.630 5.174 13.743 1.00 0.00 H new ATOM 17 N LEU A 15 -12.621 7.855 11.834 1.00 0.00 N ATOM 18 CA LEU A 15 -13.208 7.877 10.464 1.00 0.00 C ATOM 19 C LEU A 15 -12.830 6.588 9.727 1.00 0.00 C ATOM 20 O LEU A 15 -11.796 6.007 9.989 1.00 0.00 O ATOM 21 CB LEU A 15 -12.664 9.082 9.696 1.00 0.00 C ATOM 22 CG LEU A 15 -12.887 10.355 10.515 1.00 0.00 C ATOM 23 CD1 LEU A 15 -11.565 10.793 11.147 1.00 0.00 C ATOM 24 CD2 LEU A 15 -13.404 11.466 9.598 1.00 0.00 C ATOM 0 H LEU A 15 -11.811 8.460 11.969 1.00 0.00 H new ATOM 0 HA LEU A 15 -14.293 7.951 10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.601 8.948 9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.163 9.166 8.731 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.618 10.159 11.299 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.724 11.700 11.731 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.194 10.002 11.799 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.834 10.989 10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.563 12.374 10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.672 11.661 8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.346 11.155 9.145 1.00 0.00 H new ATOM 36 N PRO A 16 -13.684 6.184 8.823 1.00 0.00 N ATOM 37 CA PRO A 16 -13.475 4.966 8.023 1.00 0.00 C ATOM 38 C PRO A 16 -12.472 5.233 6.897 1.00 0.00 C ATOM 39 O PRO A 16 -12.842 5.650 5.819 1.00 0.00 O ATOM 40 CB PRO A 16 -14.865 4.664 7.457 1.00 0.00 C ATOM 41 CG PRO A 16 -15.647 6.000 7.486 1.00 0.00 C ATOM 42 CD PRO A 16 -14.938 6.902 8.515 1.00 0.00 C ATOM 0 HA PRO A 16 -13.068 4.137 8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.795 4.277 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.371 3.905 8.053 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.654 6.467 6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.687 5.834 7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.740 7.893 8.106 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.547 7.042 9.408 1.00 0.00 H new ATOM 50 N ARG A 17 -11.211 4.990 7.153 1.00 0.00 N ATOM 51 CA ARG A 17 -10.153 5.220 6.121 1.00 0.00 C ATOM 52 C ARG A 17 -10.515 6.419 5.240 1.00 0.00 C ATOM 53 O ARG A 17 -10.217 6.450 4.062 1.00 0.00 O ATOM 54 CB ARG A 17 -9.991 3.959 5.258 1.00 0.00 C ATOM 55 CG ARG A 17 -11.088 3.893 4.188 1.00 0.00 C ATOM 56 CD ARG A 17 -10.450 3.991 2.801 1.00 0.00 C ATOM 57 NE ARG A 17 -11.378 4.699 1.876 1.00 0.00 N ATOM 58 CZ ARG A 17 -11.657 4.184 0.709 1.00 0.00 C ATOM 59 NH1 ARG A 17 -10.773 3.447 0.094 1.00 0.00 N ATOM 60 NH2 ARG A 17 -12.818 4.407 0.158 1.00 0.00 N ATOM 0 H ARG A 17 -10.865 4.637 8.045 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.210 5.435 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.011 3.961 4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.037 3.071 5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.645 2.961 4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.801 4.705 4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.502 4.526 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.229 2.994 2.419 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.796 5.587 2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.865 3.274 0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.990 3.044 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.508 4.984 0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.036 4.005 -0.754 1.00 0.00 H new ATOM 74 N GLY A 18 -11.155 7.407 5.803 1.00 0.00 N ATOM 75 CA GLY A 18 -11.537 8.603 4.998 1.00 0.00 C ATOM 76 C GLY A 18 -10.396 9.621 5.023 1.00 0.00 C ATOM 77 O GLY A 18 -10.581 10.782 4.719 1.00 0.00 O ATOM 0 H GLY A 18 -11.430 7.438 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.754 8.309 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.446 9.050 5.400 1.00 0.00 H new ATOM 81 N SER A 19 -9.216 9.195 5.384 1.00 0.00 N ATOM 82 CA SER A 19 -8.064 10.138 5.427 1.00 0.00 C ATOM 83 C SER A 19 -6.759 9.346 5.519 1.00 0.00 C ATOM 84 O SER A 19 -5.757 9.712 4.938 1.00 0.00 O ATOM 85 CB SER A 19 -8.196 11.049 6.647 1.00 0.00 C ATOM 86 OG SER A 19 -8.951 12.200 6.295 1.00 0.00 O ATOM 0 H SER A 19 -9.001 8.234 5.651 1.00 0.00 H new ATOM 0 HA SER A 19 -8.057 10.744 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.684 10.515 7.462 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.209 11.343 7.004 1.00 0.00 H new ATOM 0 HG SER A 19 -9.561 11.979 5.561 1.00 0.00 H new ATOM 92 N ILE A 20 -6.765 8.262 6.242 1.00 0.00 N ATOM 93 CA ILE A 20 -5.525 7.444 6.368 1.00 0.00 C ATOM 94 C ILE A 20 -5.146 6.899 4.997 1.00 0.00 C ATOM 95 O ILE A 20 -4.134 7.254 4.428 1.00 0.00 O ATOM 96 CB ILE A 20 -5.782 6.274 7.323 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.493 6.784 8.581 1.00 0.00 C ATOM 98 CG2 ILE A 20 -4.450 5.634 7.716 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.822 8.069 9.063 1.00 0.00 C ATOM 0 H ILE A 20 -7.574 7.906 6.751 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.716 8.062 6.757 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.410 5.534 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.545 6.970 8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.456 6.027 9.364 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.633 4.802 8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.944 5.269 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.822 6.375 8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.329 8.431 9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.776 7.868 9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.882 8.826 8.281 1.00 0.00 H new ATOM 111 N ASP A 21 -5.962 6.042 4.465 1.00 0.00 N ATOM 112 CA ASP A 21 -5.671 5.465 3.123 1.00 0.00 C ATOM 113 C ASP A 21 -5.723 6.579 2.077 1.00 0.00 C ATOM 114 O ASP A 21 -5.246 6.429 0.970 1.00 0.00 O ATOM 115 CB ASP A 21 -6.717 4.400 2.789 1.00 0.00 C ATOM 116 CG ASP A 21 -6.312 3.070 3.427 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.143 2.728 3.346 1.00 0.00 O ATOM 118 OD2 ASP A 21 -7.176 2.416 3.986 1.00 0.00 O ATOM 0 H ASP A 21 -6.823 5.712 4.901 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.681 5.010 3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.696 4.709 3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.803 4.286 1.708 1.00 0.00 H new ATOM 123 N LYS A 22 -6.299 7.697 2.424 1.00 0.00 N ATOM 124 CA LYS A 22 -6.385 8.827 1.457 1.00 0.00 C ATOM 125 C LYS A 22 -5.236 9.804 1.712 1.00 0.00 C ATOM 126 O LYS A 22 -5.294 10.957 1.335 1.00 0.00 O ATOM 127 CB LYS A 22 -7.721 9.551 1.642 1.00 0.00 C ATOM 128 CG LYS A 22 -7.891 10.601 0.544 1.00 0.00 C ATOM 129 CD LYS A 22 -7.969 11.992 1.177 1.00 0.00 C ATOM 130 CE LYS A 22 -9.307 12.643 0.820 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.726 13.554 1.924 1.00 0.00 N ATOM 0 H LYS A 22 -6.715 7.877 3.338 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.316 8.443 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.542 8.835 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.756 10.026 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.054 10.553 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.795 10.400 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.867 11.916 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.145 12.611 0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.215 13.201 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.065 11.877 0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.635 13.997 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.829 13.009 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.006 14.292 2.057 1.00 0.00 H new ATOM 145 N TYR A 23 -4.192 9.353 2.353 1.00 0.00 N ATOM 146 CA TYR A 23 -3.043 10.259 2.632 1.00 0.00 C ATOM 147 C TYR A 23 -1.751 9.443 2.705 1.00 0.00 C ATOM 148 O TYR A 23 -0.840 9.771 3.439 1.00 0.00 O ATOM 149 CB TYR A 23 -3.270 10.976 3.964 1.00 0.00 C ATOM 150 CG TYR A 23 -4.141 12.190 3.743 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.887 13.049 2.668 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.202 12.456 4.617 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.694 14.174 2.464 1.00 0.00 C ATOM 154 CE2 TYR A 23 -6.010 13.582 4.413 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.755 14.441 3.338 1.00 0.00 C ATOM 156 OH TYR A 23 -6.552 15.550 3.138 1.00 0.00 O ATOM 0 H TYR A 23 -4.086 8.398 2.695 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.961 10.995 1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.744 10.300 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.315 11.275 4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.068 12.844 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.397 11.794 5.448 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.499 14.836 1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.830 13.787 5.085 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.242 15.587 3.833 1.00 0.00 H new ATOM 166 N VAL A 24 -1.662 8.383 1.950 1.00 0.00 N ATOM 167 CA VAL A 24 -0.426 7.551 1.975 1.00 0.00 C ATOM 168 C VAL A 24 0.095 7.378 0.548 1.00 0.00 C ATOM 169 O VAL A 24 -0.668 7.295 -0.394 1.00 0.00 O ATOM 170 CB VAL A 24 -0.743 6.179 2.573 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.543 5.357 2.671 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.341 6.359 3.970 1.00 0.00 C ATOM 0 H VAL A 24 -2.392 8.057 1.317 1.00 0.00 H new ATOM 0 HA VAL A 24 0.332 8.043 2.584 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.458 5.660 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.318 4.379 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.970 5.230 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.258 5.875 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.567 5.382 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.625 6.877 4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.257 6.946 3.901 1.00 0.00 H new ATOM 182 N LYS A 25 1.387 7.327 0.376 1.00 0.00 N ATOM 183 CA LYS A 25 1.945 7.163 -0.996 1.00 0.00 C ATOM 184 C LYS A 25 3.008 6.063 -0.993 1.00 0.00 C ATOM 185 O LYS A 25 4.186 6.327 -0.870 1.00 0.00 O ATOM 186 CB LYS A 25 2.579 8.479 -1.447 1.00 0.00 C ATOM 187 CG LYS A 25 2.534 8.572 -2.973 1.00 0.00 C ATOM 188 CD LYS A 25 2.334 10.030 -3.390 1.00 0.00 C ATOM 189 CE LYS A 25 1.808 10.082 -4.825 1.00 0.00 C ATOM 190 NZ LYS A 25 2.946 9.927 -5.776 1.00 0.00 N ATOM 0 H LYS A 25 2.078 7.392 1.123 1.00 0.00 H new ATOM 0 HA LYS A 25 1.143 6.888 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.047 9.321 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.610 8.536 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.460 8.185 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.722 7.957 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.631 10.519 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.276 10.573 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.076 9.290 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.298 11.029 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.590 9.962 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.629 10.697 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.414 9.013 -5.611 1.00 0.00 H new ATOM 204 N GLU A 26 2.600 4.832 -1.134 1.00 0.00 N ATOM 205 CA GLU A 26 3.589 3.718 -1.147 1.00 0.00 C ATOM 206 C GLU A 26 4.231 3.627 -2.532 1.00 0.00 C ATOM 207 O GLU A 26 3.624 3.166 -3.479 1.00 0.00 O ATOM 208 CB GLU A 26 2.876 2.403 -0.826 1.00 0.00 C ATOM 209 CG GLU A 26 1.709 2.205 -1.795 1.00 0.00 C ATOM 210 CD GLU A 26 0.386 2.311 -1.033 1.00 0.00 C ATOM 211 OE1 GLU A 26 0.148 3.352 -0.444 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.365 1.349 -1.053 1.00 0.00 O ATOM 0 H GLU A 26 1.626 4.550 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 26 4.361 3.904 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.574 1.570 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.511 2.416 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.747 2.956 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.785 1.231 -2.278 1.00 0.00 H new ATOM 219 N MET A 27 5.452 4.067 -2.663 1.00 0.00 N ATOM 220 CA MET A 27 6.123 4.006 -3.992 1.00 0.00 C ATOM 221 C MET A 27 6.658 2.590 -4.235 1.00 0.00 C ATOM 222 O MET A 27 7.180 1.961 -3.330 1.00 0.00 O ATOM 223 CB MET A 27 7.283 5.002 -4.023 1.00 0.00 C ATOM 224 CG MET A 27 6.835 6.328 -3.405 1.00 0.00 C ATOM 225 SD MET A 27 7.827 7.678 -4.092 1.00 0.00 S ATOM 226 CE MET A 27 6.479 8.547 -4.933 1.00 0.00 C ATOM 0 H MET A 27 6.013 4.465 -1.910 1.00 0.00 H new ATOM 0 HA MET A 27 5.405 4.259 -4.772 1.00 0.00 H new ATOM 0 HB2 MET A 27 8.135 4.602 -3.473 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.613 5.160 -5.050 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.778 6.498 -3.609 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.949 6.294 -2.321 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.873 9.431 -5.434 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.023 7.885 -5.669 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.729 8.848 -4.202 1.00 0.00 H new ATOM 236 N PRO A 28 6.526 2.133 -5.456 1.00 0.00 N ATOM 237 CA PRO A 28 6.990 0.794 -5.851 1.00 0.00 C ATOM 238 C PRO A 28 8.517 0.765 -5.890 1.00 0.00 C ATOM 239 O PRO A 28 9.127 -0.274 -6.052 1.00 0.00 O ATOM 240 CB PRO A 28 6.378 0.588 -7.240 1.00 0.00 C ATOM 241 CG PRO A 28 6.064 1.999 -7.786 1.00 0.00 C ATOM 242 CD PRO A 28 5.929 2.917 -6.558 1.00 0.00 C ATOM 0 HA PRO A 28 6.693 0.006 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.071 0.062 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.473 -0.017 -7.181 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.859 2.346 -8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.144 1.994 -8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.454 3.861 -6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.886 3.161 -6.355 1.00 0.00 H new ATOM 250 N ASP A 29 9.136 1.898 -5.716 1.00 0.00 N ATOM 251 CA ASP A 29 10.619 1.941 -5.713 1.00 0.00 C ATOM 252 C ASP A 29 11.096 1.808 -4.268 1.00 0.00 C ATOM 253 O ASP A 29 12.204 2.179 -3.931 1.00 0.00 O ATOM 254 CB ASP A 29 11.109 3.266 -6.305 1.00 0.00 C ATOM 255 CG ASP A 29 10.184 4.404 -5.870 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.131 4.546 -6.470 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.545 5.114 -4.947 1.00 0.00 O ATOM 0 H ASP A 29 8.675 2.797 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 29 11.018 1.127 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.128 3.467 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.134 3.201 -7.393 1.00 0.00 H new ATOM 262 N LYS A 30 10.250 1.291 -3.409 1.00 0.00 N ATOM 263 CA LYS A 30 10.621 1.131 -1.977 1.00 0.00 C ATOM 264 C LYS A 30 10.629 2.499 -1.304 1.00 0.00 C ATOM 265 O LYS A 30 11.626 2.933 -0.763 1.00 0.00 O ATOM 266 CB LYS A 30 12.005 0.481 -1.854 1.00 0.00 C ATOM 267 CG LYS A 30 11.849 -0.974 -1.411 1.00 0.00 C ATOM 268 CD LYS A 30 13.028 -1.795 -1.937 1.00 0.00 C ATOM 269 CE LYS A 30 12.685 -3.284 -1.866 1.00 0.00 C ATOM 270 NZ LYS A 30 13.542 -3.941 -0.838 1.00 0.00 N ATOM 0 H LYS A 30 9.311 0.972 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 30 9.891 0.486 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.526 0.527 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.613 1.028 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.808 -1.032 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.911 -1.382 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.252 -1.511 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.921 -1.588 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.632 -3.414 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.841 -3.751 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.310 -4.954 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.543 -3.827 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.372 -3.501 0.089 1.00 0.00 H new ATOM 284 N THR A 31 9.520 3.185 -1.334 1.00 0.00 N ATOM 285 CA THR A 31 9.460 4.525 -0.698 1.00 0.00 C ATOM 286 C THR A 31 8.062 4.763 -0.124 1.00 0.00 C ATOM 287 O THR A 31 7.189 3.923 -0.216 1.00 0.00 O ATOM 288 CB THR A 31 9.773 5.594 -1.739 1.00 0.00 C ATOM 289 OG1 THR A 31 10.768 5.108 -2.630 1.00 0.00 O ATOM 290 CG2 THR A 31 10.282 6.857 -1.043 1.00 0.00 C ATOM 0 H THR A 31 8.654 2.873 -1.773 1.00 0.00 H new ATOM 0 HA THR A 31 10.192 4.575 0.108 1.00 0.00 H new ATOM 0 HB THR A 31 8.868 5.832 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.500 5.296 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.505 7.619 -1.790 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.518 7.230 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.187 6.624 -0.482 1.00 0.00 H new ATOM 298 N PHE A 32 7.847 5.905 0.468 1.00 0.00 N ATOM 299 CA PHE A 32 6.509 6.210 1.050 1.00 0.00 C ATOM 300 C PHE A 32 6.325 7.724 1.124 1.00 0.00 C ATOM 301 O PHE A 32 7.269 8.464 1.312 1.00 0.00 O ATOM 302 CB PHE A 32 6.412 5.618 2.457 1.00 0.00 C ATOM 303 CG PHE A 32 5.529 4.396 2.430 1.00 0.00 C ATOM 304 CD1 PHE A 32 6.056 3.159 2.042 1.00 0.00 C ATOM 305 CD2 PHE A 32 4.183 4.499 2.799 1.00 0.00 C ATOM 306 CE1 PHE A 32 5.235 2.026 2.020 1.00 0.00 C ATOM 307 CE2 PHE A 32 3.362 3.365 2.779 1.00 0.00 C ATOM 308 CZ PHE A 32 3.889 2.130 2.390 1.00 0.00 C ATOM 0 H PHE A 32 8.543 6.643 0.574 1.00 0.00 H new ATOM 0 HA PHE A 32 5.732 5.775 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.405 5.354 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.006 6.358 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.095 3.079 1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.777 5.454 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.640 1.071 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.323 3.444 3.064 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.257 1.255 2.375 1.00 0.00 H new ATOM 318 N GLU A 33 5.115 8.193 0.979 1.00 0.00 N ATOM 319 CA GLU A 33 4.879 9.661 1.042 1.00 0.00 C ATOM 320 C GLU A 33 3.490 9.940 1.621 1.00 0.00 C ATOM 321 O GLU A 33 2.479 9.655 1.010 1.00 0.00 O ATOM 322 CB GLU A 33 4.973 10.256 -0.365 1.00 0.00 C ATOM 323 CG GLU A 33 5.787 11.550 -0.320 1.00 0.00 C ATOM 324 CD GLU A 33 4.853 12.748 -0.486 1.00 0.00 C ATOM 325 OE1 GLU A 33 3.650 12.545 -0.466 1.00 0.00 O ATOM 326 OE2 GLU A 33 5.355 13.851 -0.631 1.00 0.00 O ATOM 0 H GLU A 33 4.283 7.624 0.820 1.00 0.00 H new ATOM 0 HA GLU A 33 5.634 10.117 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.442 9.542 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.975 10.456 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.323 11.622 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.537 11.548 -1.111 1.00 0.00 H new ATOM 333 N CYS A 34 3.439 10.505 2.796 1.00 0.00 N ATOM 334 CA CYS A 34 2.127 10.823 3.425 1.00 0.00 C ATOM 335 C CYS A 34 1.522 12.034 2.708 1.00 0.00 C ATOM 336 O CYS A 34 2.021 13.137 2.808 1.00 0.00 O ATOM 337 CB CYS A 34 2.362 11.147 4.901 1.00 0.00 C ATOM 338 SG CYS A 34 0.793 11.212 5.804 1.00 0.00 S ATOM 0 H CYS A 34 4.256 10.761 3.351 1.00 0.00 H new ATOM 0 HA CYS A 34 1.442 9.979 3.345 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.011 10.392 5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.878 12.103 4.990 1.00 0.00 H new ATOM 343 N LEU A 35 0.466 11.834 1.969 1.00 0.00 N ATOM 344 CA LEU A 35 -0.152 12.971 1.225 1.00 0.00 C ATOM 345 C LEU A 35 -0.921 13.885 2.184 1.00 0.00 C ATOM 346 O LEU A 35 -1.541 14.843 1.768 1.00 0.00 O ATOM 347 CB LEU A 35 -1.109 12.424 0.164 1.00 0.00 C ATOM 348 CG LEU A 35 -0.306 11.755 -0.953 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.808 10.325 -1.159 1.00 0.00 C ATOM 350 CD2 LEU A 35 -0.481 12.548 -2.250 1.00 0.00 C ATOM 0 H LEU A 35 0.003 10.933 1.847 1.00 0.00 H new ATOM 0 HA LEU A 35 0.639 13.550 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.795 11.706 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.716 13.232 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 35 0.749 11.733 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.235 9.849 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.685 9.759 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.863 10.346 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.091 12.073 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.536 12.570 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.123 13.567 -2.105 1.00 0.00 H new ATOM 362 N PHE A 36 -0.889 13.612 3.460 1.00 0.00 N ATOM 363 CA PHE A 36 -1.624 14.489 4.416 1.00 0.00 C ATOM 364 C PHE A 36 -1.088 15.919 4.299 1.00 0.00 C ATOM 365 O PHE A 36 0.106 16.122 4.204 1.00 0.00 O ATOM 366 CB PHE A 36 -1.410 13.985 5.844 1.00 0.00 C ATOM 367 CG PHE A 36 -2.131 14.890 6.816 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.609 16.153 7.121 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.320 14.462 7.419 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.275 16.986 8.029 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.986 15.296 8.325 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.462 16.556 8.631 1.00 0.00 C ATOM 0 H PHE A 36 -0.391 12.827 3.879 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.688 14.472 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.780 12.964 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.345 13.961 6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.693 16.485 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.724 13.488 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.872 17.960 8.264 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.905 14.966 8.788 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.974 17.198 9.333 1.00 0.00 H new ATOM 382 N PRO A 37 -1.987 16.874 4.313 1.00 0.00 N ATOM 383 CA PRO A 37 -1.622 18.295 4.210 1.00 0.00 C ATOM 384 C PRO A 37 -1.076 18.793 5.544 1.00 0.00 C ATOM 385 O PRO A 37 -1.805 19.011 6.489 1.00 0.00 O ATOM 386 CB PRO A 37 -2.942 18.984 3.854 1.00 0.00 C ATOM 387 CG PRO A 37 -4.067 18.030 4.322 1.00 0.00 C ATOM 388 CD PRO A 37 -3.437 16.628 4.434 1.00 0.00 C ATOM 0 HA PRO A 37 -0.843 18.491 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.022 19.952 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.008 19.168 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.472 18.350 5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.894 18.028 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.683 16.155 5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.796 15.966 3.646 1.00 0.00 H new ATOM 396 N GLY A 38 0.211 18.955 5.622 1.00 0.00 N ATOM 397 CA GLY A 38 0.839 19.412 6.889 1.00 0.00 C ATOM 398 C GLY A 38 1.899 18.388 7.279 1.00 0.00 C ATOM 399 O GLY A 38 2.805 18.667 8.040 1.00 0.00 O ATOM 0 H GLY A 38 0.862 18.789 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.288 20.397 6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.090 19.505 7.675 1.00 0.00 H new ATOM 403 N CYS A 39 1.792 17.198 6.748 1.00 0.00 N ATOM 404 CA CYS A 39 2.791 16.142 7.068 1.00 0.00 C ATOM 405 C CYS A 39 4.164 16.563 6.539 1.00 0.00 C ATOM 406 O CYS A 39 4.285 17.495 5.768 1.00 0.00 O ATOM 407 CB CYS A 39 2.375 14.833 6.398 1.00 0.00 C ATOM 408 SG CYS A 39 3.268 13.456 7.157 1.00 0.00 S ATOM 0 H CYS A 39 1.053 16.914 6.105 1.00 0.00 H new ATOM 0 HA CYS A 39 2.841 16.004 8.148 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.300 14.685 6.502 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.589 14.875 5.330 1.00 0.00 H new ATOM 413 N THR A 40 5.199 15.879 6.941 1.00 0.00 N ATOM 414 CA THR A 40 6.562 16.234 6.456 1.00 0.00 C ATOM 415 C THR A 40 7.523 15.082 6.759 1.00 0.00 C ATOM 416 O THR A 40 8.711 15.280 6.920 1.00 0.00 O ATOM 417 CB THR A 40 7.043 17.502 7.165 1.00 0.00 C ATOM 418 OG1 THR A 40 5.919 18.253 7.602 1.00 0.00 O ATOM 419 CG2 THR A 40 7.877 18.343 6.197 1.00 0.00 C ATOM 0 H THR A 40 5.160 15.089 7.585 1.00 0.00 H new ATOM 0 HA THR A 40 6.532 16.411 5.381 1.00 0.00 H new ATOM 0 HB THR A 40 7.654 17.229 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.225 19.065 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.220 19.246 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.739 17.765 5.862 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.268 18.618 5.336 1.00 0.00 H new ATOM 427 N LYS A 41 7.019 13.880 6.838 1.00 0.00 N ATOM 428 CA LYS A 41 7.911 12.721 7.131 1.00 0.00 C ATOM 429 C LYS A 41 7.596 11.570 6.170 1.00 0.00 C ATOM 430 O LYS A 41 6.553 10.952 6.247 1.00 0.00 O ATOM 431 CB LYS A 41 7.686 12.260 8.573 1.00 0.00 C ATOM 432 CG LYS A 41 8.752 12.876 9.480 1.00 0.00 C ATOM 433 CD LYS A 41 9.443 11.771 10.281 1.00 0.00 C ATOM 434 CE LYS A 41 8.413 11.058 11.160 1.00 0.00 C ATOM 435 NZ LYS A 41 8.648 11.410 12.590 1.00 0.00 N ATOM 0 H LYS A 41 6.033 13.651 6.713 1.00 0.00 H new ATOM 0 HA LYS A 41 8.951 13.022 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.692 12.556 8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.731 11.172 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.484 13.418 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.295 13.599 10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.916 11.058 9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.233 12.196 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.405 11.348 10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.488 9.979 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.948 10.925 13.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.605 11.112 12.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.556 12.438 12.714 1.00 0.00 H new ATOM 449 N THR A 42 8.494 11.275 5.270 1.00 0.00 N ATOM 450 CA THR A 42 8.254 10.161 4.307 1.00 0.00 C ATOM 451 C THR A 42 8.808 8.861 4.895 1.00 0.00 C ATOM 452 O THR A 42 9.292 8.832 6.008 1.00 0.00 O ATOM 453 CB THR A 42 8.963 10.465 2.985 1.00 0.00 C ATOM 454 OG1 THR A 42 10.298 9.978 3.043 1.00 0.00 O ATOM 455 CG2 THR A 42 8.978 11.976 2.745 1.00 0.00 C ATOM 0 H THR A 42 9.386 11.758 5.159 1.00 0.00 H new ATOM 0 HA THR A 42 7.184 10.057 4.127 1.00 0.00 H new ATOM 0 HB THR A 42 8.432 9.977 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.753 10.170 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.483 12.190 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.954 12.347 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.507 12.469 3.561 1.00 0.00 H new ATOM 463 N PHE A 43 8.742 7.784 4.159 1.00 0.00 N ATOM 464 CA PHE A 43 9.269 6.494 4.689 1.00 0.00 C ATOM 465 C PHE A 43 9.609 5.557 3.529 1.00 0.00 C ATOM 466 O PHE A 43 9.513 5.922 2.374 1.00 0.00 O ATOM 467 CB PHE A 43 8.212 5.838 5.578 1.00 0.00 C ATOM 468 CG PHE A 43 7.695 6.844 6.578 1.00 0.00 C ATOM 469 CD1 PHE A 43 8.345 7.009 7.807 1.00 0.00 C ATOM 470 CD2 PHE A 43 6.564 7.611 6.276 1.00 0.00 C ATOM 471 CE1 PHE A 43 7.863 7.942 8.734 1.00 0.00 C ATOM 472 CE2 PHE A 43 6.081 8.542 7.203 1.00 0.00 C ATOM 473 CZ PHE A 43 6.730 8.708 8.432 1.00 0.00 C ATOM 0 H PHE A 43 8.348 7.742 3.219 1.00 0.00 H new ATOM 0 HA PHE A 43 10.169 6.687 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.391 5.463 4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.641 4.981 6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.218 6.417 8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.064 7.485 5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.365 8.071 9.682 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.207 9.132 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.357 9.426 9.147 1.00 0.00 H new ATOM 483 N LYS A 44 10.003 4.349 3.829 1.00 0.00 N ATOM 484 CA LYS A 44 10.348 3.384 2.748 1.00 0.00 C ATOM 485 C LYS A 44 9.342 2.231 2.756 1.00 0.00 C ATOM 486 O LYS A 44 8.434 2.196 3.562 1.00 0.00 O ATOM 487 CB LYS A 44 11.756 2.836 2.985 1.00 0.00 C ATOM 488 CG LYS A 44 12.777 3.714 2.256 1.00 0.00 C ATOM 489 CD LYS A 44 13.948 2.850 1.785 1.00 0.00 C ATOM 490 CE LYS A 44 15.265 3.478 2.245 1.00 0.00 C ATOM 491 NZ LYS A 44 15.518 4.726 1.471 1.00 0.00 N ATOM 0 H LYS A 44 10.101 3.989 4.778 1.00 0.00 H new ATOM 0 HA LYS A 44 10.314 3.889 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.975 2.816 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.823 1.809 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.308 4.205 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.136 4.501 2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.854 1.841 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.935 2.762 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.221 3.701 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.085 2.775 2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.438 5.126 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.527 4.508 0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.766 5.417 1.670 1.00 0.00 H new ATOM 505 N ARG A 45 9.495 1.288 1.864 1.00 0.00 N ATOM 506 CA ARG A 45 8.544 0.138 1.825 1.00 0.00 C ATOM 507 C ARG A 45 8.271 -0.345 3.251 1.00 0.00 C ATOM 508 O ARG A 45 9.043 -1.088 3.825 1.00 0.00 O ATOM 509 CB ARG A 45 9.155 -1.003 1.008 1.00 0.00 C ATOM 510 CG ARG A 45 8.155 -1.459 -0.057 1.00 0.00 C ATOM 511 CD ARG A 45 7.419 -2.708 0.434 1.00 0.00 C ATOM 512 NE ARG A 45 7.208 -3.643 -0.707 1.00 0.00 N ATOM 513 CZ ARG A 45 6.552 -4.756 -0.527 1.00 0.00 C ATOM 514 NH1 ARG A 45 5.412 -4.746 0.109 1.00 0.00 N ATOM 515 NH2 ARG A 45 7.035 -5.880 -0.982 1.00 0.00 N ATOM 0 H ARG A 45 10.235 1.264 1.163 1.00 0.00 H new ATOM 0 HA ARG A 45 7.609 0.455 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.080 -0.672 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.412 -1.836 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.441 -0.662 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.675 -1.674 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.996 -3.199 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.460 -2.429 0.871 1.00 0.00 H new ATOM 0 HE ARG A 45 7.577 -3.412 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.034 -3.868 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.899 -5.616 0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.926 -5.888 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.522 -6.750 -0.841 1.00 0.00 H new ATOM 529 N ARG A 46 7.177 0.074 3.827 1.00 0.00 N ATOM 530 CA ARG A 46 6.851 -0.357 5.215 1.00 0.00 C ATOM 531 C ARG A 46 5.457 0.153 5.591 1.00 0.00 C ATOM 532 O ARG A 46 4.923 1.047 4.965 1.00 0.00 O ATOM 533 CB ARG A 46 7.884 0.228 6.183 1.00 0.00 C ATOM 534 CG ARG A 46 8.052 -0.704 7.383 1.00 0.00 C ATOM 535 CD ARG A 46 8.969 -1.867 7.001 1.00 0.00 C ATOM 536 NE ARG A 46 9.158 -2.757 8.180 1.00 0.00 N ATOM 537 CZ ARG A 46 10.087 -3.672 8.164 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.159 -4.513 7.168 1.00 0.00 N ATOM 539 NH2 ARG A 46 10.947 -3.745 9.142 1.00 0.00 N ATOM 0 H ARG A 46 6.495 0.697 3.395 1.00 0.00 H new ATOM 0 HA ARG A 46 6.870 -1.445 5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.840 0.358 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.564 1.215 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.473 -0.156 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.081 -1.082 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.536 -2.429 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.932 -1.488 6.660 1.00 0.00 H new ATOM 0 HE ARG A 46 8.561 -2.651 9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.488 -4.455 6.402 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.886 -5.228 7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.893 -3.086 9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.674 -4.461 9.130 1.00 0.00 H new ATOM 553 N TYR A 47 4.866 -0.404 6.613 1.00 0.00 N ATOM 554 CA TYR A 47 3.510 0.054 7.033 1.00 0.00 C ATOM 555 C TYR A 47 3.665 1.035 8.191 1.00 0.00 C ATOM 556 O TYR A 47 2.711 1.382 8.859 1.00 0.00 O ATOM 557 CB TYR A 47 2.653 -1.130 7.511 1.00 0.00 C ATOM 558 CG TYR A 47 3.445 -2.416 7.459 1.00 0.00 C ATOM 559 CD1 TYR A 47 4.325 -2.733 8.501 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.301 -3.284 6.373 1.00 0.00 C ATOM 561 CE1 TYR A 47 5.061 -3.924 8.457 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.036 -4.474 6.328 1.00 0.00 C ATOM 563 CZ TYR A 47 4.916 -4.793 7.369 1.00 0.00 C ATOM 564 OH TYR A 47 5.640 -5.967 7.325 1.00 0.00 O ATOM 0 H TYR A 47 5.263 -1.156 7.176 1.00 0.00 H new ATOM 0 HA TYR A 47 3.020 0.523 6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.309 -0.949 8.530 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.764 -1.218 6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.436 -2.060 9.338 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.623 -3.037 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.739 -4.171 9.261 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.924 -5.146 5.490 1.00 0.00 H new ATOM 0 HH TYR A 47 5.422 -6.455 6.504 1.00 0.00 H new ATOM 574 N ASN A 48 4.866 1.476 8.447 1.00 0.00 N ATOM 575 CA ASN A 48 5.085 2.419 9.572 1.00 0.00 C ATOM 576 C ASN A 48 4.257 3.685 9.362 1.00 0.00 C ATOM 577 O ASN A 48 4.086 4.477 10.267 1.00 0.00 O ATOM 578 CB ASN A 48 6.568 2.783 9.655 1.00 0.00 C ATOM 579 CG ASN A 48 7.318 1.690 10.421 1.00 0.00 C ATOM 580 OD1 ASN A 48 8.318 1.957 11.058 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.875 0.464 10.383 1.00 0.00 N ATOM 0 H ASN A 48 5.704 1.222 7.923 1.00 0.00 H new ATOM 0 HA ASN A 48 4.775 1.942 10.502 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.984 2.891 8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.691 3.743 10.156 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.368 -0.272 10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.036 0.241 9.848 1.00 0.00 H new ATOM 588 N ILE A 49 3.729 3.887 8.185 1.00 0.00 N ATOM 589 CA ILE A 49 2.909 5.108 7.960 1.00 0.00 C ATOM 590 C ILE A 49 1.553 4.897 8.577 1.00 0.00 C ATOM 591 O ILE A 49 1.122 5.646 9.409 1.00 0.00 O ATOM 592 CB ILE A 49 2.714 5.378 6.469 1.00 0.00 C ATOM 593 CG1 ILE A 49 4.043 5.775 5.863 1.00 0.00 C ATOM 594 CG2 ILE A 49 1.705 6.512 6.280 1.00 0.00 C ATOM 595 CD1 ILE A 49 4.952 4.564 5.912 1.00 0.00 C ATOM 0 H ILE A 49 3.829 3.268 7.381 1.00 0.00 H new ATOM 0 HA ILE A 49 3.426 5.956 8.409 1.00 0.00 H new ATOM 0 HB ILE A 49 2.338 4.480 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.909 6.111 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.482 6.606 6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.567 6.703 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.751 6.228 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.077 7.414 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.920 4.818 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.086 4.251 6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.504 3.750 5.342 1.00 0.00 H new ATOM 607 N ARG A 50 0.861 3.891 8.164 1.00 0.00 N ATOM 608 CA ARG A 50 -0.484 3.679 8.730 1.00 0.00 C ATOM 609 C ARG A 50 -0.437 3.836 10.249 1.00 0.00 C ATOM 610 O ARG A 50 -1.406 4.223 10.865 1.00 0.00 O ATOM 611 CB ARG A 50 -1.010 2.294 8.350 1.00 0.00 C ATOM 612 CG ARG A 50 -2.364 2.058 9.022 1.00 0.00 C ATOM 613 CD ARG A 50 -2.807 0.614 8.777 1.00 0.00 C ATOM 614 NE ARG A 50 -4.032 0.326 9.576 1.00 0.00 N ATOM 615 CZ ARG A 50 -4.969 -0.434 9.079 1.00 0.00 C ATOM 616 NH1 ARG A 50 -4.659 -1.570 8.518 1.00 0.00 N ATOM 617 NH2 ARG A 50 -6.217 -0.056 9.143 1.00 0.00 N ATOM 0 H ARG A 50 1.162 3.211 7.466 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.163 4.426 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.111 2.217 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.300 1.527 8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.290 2.251 10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.106 2.750 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.007 0.459 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.009 -0.074 9.055 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.138 0.722 10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.684 -1.865 8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.392 -2.164 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.459 0.833 9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.950 -0.649 8.755 1.00 0.00 H new ATOM 631 N SER A 51 0.687 3.580 10.857 1.00 0.00 N ATOM 632 CA SER A 51 0.773 3.769 12.329 1.00 0.00 C ATOM 633 C SER A 51 1.097 5.239 12.585 1.00 0.00 C ATOM 634 O SER A 51 0.609 5.850 13.515 1.00 0.00 O ATOM 635 CB SER A 51 1.879 2.883 12.904 1.00 0.00 C ATOM 636 OG SER A 51 1.816 2.915 14.325 1.00 0.00 O ATOM 0 H SER A 51 1.540 3.252 10.404 1.00 0.00 H new ATOM 0 HA SER A 51 -0.167 3.494 12.807 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.764 1.860 12.546 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.854 3.232 12.564 1.00 0.00 H new ATOM 0 HG SER A 51 2.523 2.347 14.697 1.00 0.00 H new ATOM 642 N HIS A 52 1.918 5.804 11.747 1.00 0.00 N ATOM 643 CA HIS A 52 2.296 7.234 11.894 1.00 0.00 C ATOM 644 C HIS A 52 1.074 8.125 11.643 1.00 0.00 C ATOM 645 O HIS A 52 0.703 8.924 12.480 1.00 0.00 O ATOM 646 CB HIS A 52 3.439 7.547 10.900 1.00 0.00 C ATOM 647 CG HIS A 52 3.234 8.889 10.241 1.00 0.00 C ATOM 648 ND1 HIS A 52 3.910 10.024 10.656 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.396 9.296 9.231 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.463 11.053 9.916 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.537 10.665 9.035 1.00 0.00 N ATOM 0 H HIS A 52 2.349 5.328 10.955 1.00 0.00 H new ATOM 0 HA HIS A 52 2.646 7.434 12.907 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.394 7.538 11.425 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.487 6.768 10.139 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.618 10.071 11.389 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.731 8.652 8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.810 12.070 10.021 1.00 0.00 H new ATOM 659 N ILE A 53 0.448 8.022 10.505 1.00 0.00 N ATOM 660 CA ILE A 53 -0.726 8.896 10.260 1.00 0.00 C ATOM 661 C ILE A 53 -1.816 8.566 11.271 1.00 0.00 C ATOM 662 O ILE A 53 -2.644 9.385 11.580 1.00 0.00 O ATOM 663 CB ILE A 53 -1.268 8.705 8.841 1.00 0.00 C ATOM 664 CG1 ILE A 53 -1.405 7.220 8.515 1.00 0.00 C ATOM 665 CG2 ILE A 53 -0.317 9.352 7.840 1.00 0.00 C ATOM 666 CD1 ILE A 53 -1.848 7.078 7.063 1.00 0.00 C ATOM 0 H ILE A 53 0.693 7.383 9.749 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.415 9.935 10.369 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.250 9.174 8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.455 6.709 8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.132 6.753 9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.704 9.215 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.232 10.417 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.665 8.886 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.950 6.021 6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.807 7.577 6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.104 7.533 6.409 1.00 0.00 H new ATOM 678 N GLN A 54 -1.834 7.378 11.799 1.00 0.00 N ATOM 679 CA GLN A 54 -2.898 7.053 12.782 1.00 0.00 C ATOM 680 C GLN A 54 -2.786 7.982 13.984 1.00 0.00 C ATOM 681 O GLN A 54 -3.763 8.260 14.647 1.00 0.00 O ATOM 682 CB GLN A 54 -2.772 5.599 13.236 1.00 0.00 C ATOM 683 CG GLN A 54 -4.113 4.888 13.040 1.00 0.00 C ATOM 684 CD GLN A 54 -4.198 4.334 11.615 1.00 0.00 C ATOM 685 OE1 GLN A 54 -4.743 3.271 11.398 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.679 5.014 10.629 1.00 0.00 N ATOM 0 H GLN A 54 -1.171 6.630 11.597 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.871 7.190 12.309 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.993 5.094 12.665 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.476 5.558 14.284 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.216 4.078 13.762 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.934 5.582 13.221 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.221 5.907 10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.731 4.652 9.677 1.00 0.00 H new ATOM 695 N THR A 55 -1.620 8.478 14.278 1.00 0.00 N ATOM 696 CA THR A 55 -1.516 9.390 15.443 1.00 0.00 C ATOM 697 C THR A 55 -1.752 10.825 14.984 1.00 0.00 C ATOM 698 O THR A 55 -2.389 11.604 15.666 1.00 0.00 O ATOM 699 CB THR A 55 -0.136 9.266 16.093 1.00 0.00 C ATOM 700 OG1 THR A 55 0.093 10.391 16.929 1.00 0.00 O ATOM 701 CG2 THR A 55 0.940 9.207 15.010 1.00 0.00 C ATOM 0 H THR A 55 -0.752 8.296 13.774 1.00 0.00 H new ATOM 0 HA THR A 55 -2.270 9.117 16.181 1.00 0.00 H new ATOM 0 HB THR A 55 -0.096 8.354 16.689 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.976 10.313 17.348 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.921 9.119 15.476 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.764 8.343 14.369 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.904 10.117 14.411 1.00 0.00 H new ATOM 709 N HIS A 56 -1.255 11.186 13.838 1.00 0.00 N ATOM 710 CA HIS A 56 -1.468 12.569 13.360 1.00 0.00 C ATOM 711 C HIS A 56 -2.592 12.586 12.323 1.00 0.00 C ATOM 712 O HIS A 56 -2.751 13.530 11.575 1.00 0.00 O ATOM 713 CB HIS A 56 -0.141 13.116 12.816 1.00 0.00 C ATOM 714 CG HIS A 56 -0.077 13.166 11.308 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.611 14.218 10.577 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.613 12.401 10.405 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.205 14.068 9.298 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.548 12.975 9.140 1.00 0.00 N ATOM 0 H HIS A 56 -0.714 10.585 13.217 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.782 13.221 14.175 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.017 14.120 13.211 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.676 12.496 13.185 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.201 14.967 10.939 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.133 11.484 10.641 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.458 14.749 8.499 1.00 0.00 H new ATOM 726 N LEU A 57 -3.396 11.551 12.299 1.00 0.00 N ATOM 727 CA LEU A 57 -4.535 11.513 11.342 1.00 0.00 C ATOM 728 C LEU A 57 -5.747 10.827 11.994 1.00 0.00 C ATOM 729 O LEU A 57 -6.821 10.805 11.428 1.00 0.00 O ATOM 730 CB LEU A 57 -4.131 10.755 10.072 1.00 0.00 C ATOM 731 CG LEU A 57 -5.059 11.137 8.914 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.177 12.658 8.822 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.480 10.596 7.605 1.00 0.00 C ATOM 0 H LEU A 57 -3.309 10.733 12.902 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.804 12.535 11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.098 10.988 9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.181 9.681 10.249 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.047 10.710 9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.838 12.922 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.586 13.048 9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.191 13.090 8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.137 10.865 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.492 11.026 7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.398 9.511 7.665 1.00 0.00 H new ATOM 745 N GLU A 58 -5.601 10.267 13.176 1.00 0.00 N ATOM 746 CA GLU A 58 -6.771 9.606 13.818 1.00 0.00 C ATOM 747 C GLU A 58 -7.425 10.575 14.806 1.00 0.00 C ATOM 748 O GLU A 58 -8.594 10.886 14.702 1.00 0.00 O ATOM 749 CB GLU A 58 -6.310 8.352 14.562 1.00 0.00 C ATOM 750 CG GLU A 58 -7.530 7.558 15.032 1.00 0.00 C ATOM 751 CD GLU A 58 -8.151 6.823 13.843 1.00 0.00 C ATOM 752 OE1 GLU A 58 -8.769 7.481 13.023 1.00 0.00 O ATOM 753 OE2 GLU A 58 -7.997 5.615 13.773 1.00 0.00 O ATOM 0 H GLU A 58 -4.733 10.242 13.711 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.493 9.325 13.051 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.692 7.736 13.909 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.693 8.630 15.416 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.238 6.844 15.802 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.262 8.229 15.481 1.00 0.00 H new ATOM 760 N ASP A 59 -6.677 11.055 15.762 1.00 0.00 N ATOM 761 CA ASP A 59 -7.254 12.005 16.755 1.00 0.00 C ATOM 762 C ASP A 59 -8.237 11.262 17.663 1.00 0.00 C ATOM 763 O ASP A 59 -9.355 11.694 17.866 1.00 0.00 O ATOM 764 CB ASP A 59 -7.988 13.128 16.020 1.00 0.00 C ATOM 765 CG ASP A 59 -7.676 14.466 16.690 1.00 0.00 C ATOM 766 OD1 ASP A 59 -6.552 14.926 16.559 1.00 0.00 O ATOM 767 OD2 ASP A 59 -8.565 15.011 17.324 1.00 0.00 O ATOM 0 H ASP A 59 -5.691 10.830 15.898 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.452 12.429 17.359 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.682 13.153 14.974 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.062 12.944 16.034 1.00 0.00 H new ATOM 772 N ARG A 60 -7.831 10.150 18.211 1.00 0.00 N ATOM 773 CA ARG A 60 -8.744 9.384 19.104 1.00 0.00 C ATOM 774 C ARG A 60 -9.364 10.332 20.134 1.00 0.00 C ATOM 775 O ARG A 60 -10.558 10.228 20.362 1.00 0.00 O ATOM 776 CB ARG A 60 -7.953 8.292 19.829 1.00 0.00 C ATOM 777 CG ARG A 60 -8.922 7.259 20.404 1.00 0.00 C ATOM 778 CD ARG A 60 -8.156 6.277 21.293 1.00 0.00 C ATOM 779 NE ARG A 60 -6.982 5.743 20.547 1.00 0.00 N ATOM 780 CZ ARG A 60 -6.165 4.908 21.128 1.00 0.00 C ATOM 781 NH1 ARG A 60 -6.159 4.800 22.429 1.00 0.00 N ATOM 782 NH2 ARG A 60 -5.353 4.183 20.410 1.00 0.00 N ATOM 783 OXT ARG A 60 -8.635 11.145 20.677 1.00 0.00 O ATOM 0 H ARG A 60 -6.907 9.739 18.079 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.534 8.926 18.508 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.259 7.811 19.139 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.355 8.730 20.628 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.700 7.757 20.982 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.419 6.722 19.596 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.825 6.776 22.204 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.810 5.459 21.597 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.817 6.030 19.582 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.793 5.368 22.991 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.520 4.147 22.884 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.356 4.269 19.394 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.715 3.530 20.865 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.645 11.969 7.805 1.00 0.00 ZN