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 Single : A 14 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 136:sc= 1.1 (180deg=-0.538) 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 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 166:sc= -3.61! USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.589 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= -2.87 K(o=-2.9,f=-2) USER MOD Single : A 55 THR OG1 : rot 93:sc= -0.625 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -17.398 4.149 7.021 1.00 0.00 N ATOM 2 CA THR A 14 -16.365 3.425 7.815 1.00 0.00 C ATOM 3 C THR A 14 -15.406 4.436 8.447 1.00 0.00 C ATOM 4 O THR A 14 -14.686 5.135 7.763 1.00 0.00 O ATOM 5 CB THR A 14 -15.583 2.484 6.895 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.290 2.262 7.438 1.00 0.00 O ATOM 7 CG2 THR A 14 -15.454 3.115 5.508 1.00 0.00 C ATOM 0 HA THR A 14 -16.850 2.845 8.601 1.00 0.00 H new ATOM 0 HB THR A 14 -16.111 1.534 6.812 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.788 1.659 6.851 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.897 2.444 4.854 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.447 3.286 5.092 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.926 4.065 5.588 1.00 0.00 H new ATOM 17 N LEU A 15 -15.392 4.518 9.750 1.00 0.00 N ATOM 18 CA LEU A 15 -14.480 5.484 10.426 1.00 0.00 C ATOM 19 C LEU A 15 -13.030 5.039 10.251 1.00 0.00 C ATOM 20 O LEU A 15 -12.198 5.811 9.818 1.00 0.00 O ATOM 21 CB LEU A 15 -14.820 5.556 11.916 1.00 0.00 C ATOM 22 CG LEU A 15 -14.967 7.019 12.335 1.00 0.00 C ATOM 23 CD1 LEU A 15 -16.290 7.208 13.079 1.00 0.00 C ATOM 24 CD2 LEU A 15 -13.806 7.403 13.255 1.00 0.00 C ATOM 0 H LEU A 15 -15.972 3.958 10.375 1.00 0.00 H new ATOM 0 HA LEU A 15 -14.608 6.469 9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.745 5.015 12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -14.037 5.076 12.502 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.956 7.653 11.449 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.394 8.251 13.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.118 6.933 12.425 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.303 6.574 13.966 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.909 8.446 13.555 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.818 6.768 14.141 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.863 7.269 12.726 1.00 0.00 H new ATOM 36 N PRO A 16 -12.767 3.809 10.597 1.00 0.00 N ATOM 37 CA PRO A 16 -11.418 3.238 10.492 1.00 0.00 C ATOM 38 C PRO A 16 -11.119 2.834 9.045 1.00 0.00 C ATOM 39 O PRO A 16 -11.926 2.211 8.384 1.00 0.00 O ATOM 40 CB PRO A 16 -11.483 2.012 11.400 1.00 0.00 C ATOM 41 CG PRO A 16 -12.976 1.625 11.512 1.00 0.00 C ATOM 42 CD PRO A 16 -13.784 2.875 11.126 1.00 0.00 C ATOM 0 HA PRO A 16 -10.630 3.935 10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.900 1.190 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.065 2.234 12.382 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.211 0.792 10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.218 1.305 12.525 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.542 2.645 10.378 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.303 3.296 11.987 1.00 0.00 H new ATOM 50 N ARG A 17 -9.964 3.188 8.549 1.00 0.00 N ATOM 51 CA ARG A 17 -9.614 2.827 7.146 1.00 0.00 C ATOM 52 C ARG A 17 -10.400 3.716 6.180 1.00 0.00 C ATOM 53 O ARG A 17 -10.898 3.262 5.168 1.00 0.00 O ATOM 54 CB ARG A 17 -9.967 1.360 6.893 1.00 0.00 C ATOM 55 CG ARG A 17 -8.709 0.597 6.472 1.00 0.00 C ATOM 56 CD ARG A 17 -7.581 0.883 7.466 1.00 0.00 C ATOM 57 NE ARG A 17 -6.526 1.698 6.799 1.00 0.00 N ATOM 58 CZ ARG A 17 -5.266 1.406 6.979 1.00 0.00 C ATOM 59 NH1 ARG A 17 -4.896 0.737 8.036 1.00 0.00 N ATOM 60 NH2 ARG A 17 -4.378 1.784 6.101 1.00 0.00 N ATOM 0 H ARG A 17 -9.249 3.711 9.054 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.546 2.975 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.390 0.916 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.727 1.287 6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.915 -0.473 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.408 0.897 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.972 1.415 8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.157 -0.053 7.830 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.788 2.483 6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.591 0.442 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.912 0.509 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.668 2.307 5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.394 1.556 6.241 1.00 0.00 H new ATOM 74 N GLY A 18 -10.514 4.981 6.483 1.00 0.00 N ATOM 75 CA GLY A 18 -11.267 5.899 5.583 1.00 0.00 C ATOM 76 C GLY A 18 -10.566 7.258 5.540 1.00 0.00 C ATOM 77 O GLY A 18 -11.196 8.295 5.609 1.00 0.00 O ATOM 0 H GLY A 18 -10.118 5.418 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.325 5.476 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.290 6.017 5.939 1.00 0.00 H new ATOM 81 N SER A 19 -9.265 7.261 5.425 1.00 0.00 N ATOM 82 CA SER A 19 -8.525 8.554 5.378 1.00 0.00 C ATOM 83 C SER A 19 -7.018 8.286 5.316 1.00 0.00 C ATOM 84 O SER A 19 -6.262 9.068 4.774 1.00 0.00 O ATOM 85 CB SER A 19 -8.844 9.371 6.630 1.00 0.00 C ATOM 86 OG SER A 19 -7.841 10.363 6.812 1.00 0.00 O ATOM 0 H SER A 19 -8.684 6.425 5.362 1.00 0.00 H new ATOM 0 HA SER A 19 -8.830 9.110 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.823 9.841 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.889 8.719 7.502 1.00 0.00 H new ATOM 0 HG SER A 19 -8.043 10.890 7.613 1.00 0.00 H new ATOM 92 N ILE A 20 -6.574 7.189 5.867 1.00 0.00 N ATOM 93 CA ILE A 20 -5.116 6.880 5.839 1.00 0.00 C ATOM 94 C ILE A 20 -4.686 6.609 4.400 1.00 0.00 C ATOM 95 O ILE A 20 -3.673 7.098 3.939 1.00 0.00 O ATOM 96 CB ILE A 20 -4.833 5.644 6.699 1.00 0.00 C ATOM 97 CG1 ILE A 20 -5.756 5.640 7.922 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.376 5.671 7.167 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.785 7.035 8.554 1.00 0.00 C ATOM 0 H ILE A 20 -7.157 6.495 6.335 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.558 7.728 6.235 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.013 4.747 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.763 5.343 7.628 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.407 4.908 8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.174 4.792 7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.715 5.669 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.200 6.571 7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.443 7.027 9.423 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.778 7.315 8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.155 7.757 7.826 1.00 0.00 H new ATOM 111 N ASP A 21 -5.451 5.837 3.685 1.00 0.00 N ATOM 112 CA ASP A 21 -5.093 5.537 2.270 1.00 0.00 C ATOM 113 C ASP A 21 -5.341 6.780 1.415 1.00 0.00 C ATOM 114 O ASP A 21 -4.874 6.883 0.299 1.00 0.00 O ATOM 115 CB ASP A 21 -5.956 4.382 1.757 1.00 0.00 C ATOM 116 CG ASP A 21 -5.321 3.050 2.157 1.00 0.00 C ATOM 117 OD1 ASP A 21 -4.339 3.078 2.882 1.00 0.00 O ATOM 118 OD2 ASP A 21 -5.827 2.024 1.735 1.00 0.00 O ATOM 0 H ASP A 21 -6.310 5.399 4.018 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.042 5.255 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.962 4.455 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.051 4.440 0.673 1.00 0.00 H new ATOM 123 N LYS A 22 -6.076 7.728 1.933 1.00 0.00 N ATOM 124 CA LYS A 22 -6.356 8.967 1.153 1.00 0.00 C ATOM 125 C LYS A 22 -5.242 9.987 1.399 1.00 0.00 C ATOM 126 O LYS A 22 -5.321 11.121 0.969 1.00 0.00 O ATOM 127 CB LYS A 22 -7.695 9.558 1.599 1.00 0.00 C ATOM 128 CG LYS A 22 -8.167 10.588 0.572 1.00 0.00 C ATOM 129 CD LYS A 22 -9.084 11.606 1.253 1.00 0.00 C ATOM 130 CE LYS A 22 -8.239 12.722 1.869 1.00 0.00 C ATOM 131 NZ LYS A 22 -8.108 12.492 3.336 1.00 0.00 N ATOM 0 H LYS A 22 -6.494 7.697 2.863 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.400 8.726 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.437 8.766 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.590 10.027 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.310 11.095 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.698 10.091 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.784 12.023 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.678 11.117 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.253 12.746 1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.703 13.690 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.123 12.655 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.733 13.147 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.377 11.512 3.559 1.00 0.00 H new ATOM 145 N TYR A 23 -4.204 9.595 2.087 1.00 0.00 N ATOM 146 CA TYR A 23 -3.089 10.545 2.358 1.00 0.00 C ATOM 147 C TYR A 23 -1.778 9.767 2.492 1.00 0.00 C ATOM 148 O TYR A 23 -0.807 10.256 3.034 1.00 0.00 O ATOM 149 CB TYR A 23 -3.371 11.306 3.655 1.00 0.00 C ATOM 150 CG TYR A 23 -4.018 12.628 3.324 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.460 13.451 2.339 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.178 13.030 3.997 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.060 14.675 2.026 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.778 14.256 3.686 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.219 15.079 2.700 1.00 0.00 C ATOM 156 OH TYR A 23 -5.811 16.287 2.392 1.00 0.00 O ATOM 0 H TYR A 23 -4.081 8.659 2.473 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.006 11.254 1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.025 10.719 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.444 11.469 4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.565 13.141 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.610 12.394 4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.629 15.308 1.265 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.672 14.567 4.206 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.606 16.414 2.951 1.00 0.00 H new ATOM 166 N VAL A 24 -1.742 8.560 1.996 1.00 0.00 N ATOM 167 CA VAL A 24 -0.494 7.753 2.091 1.00 0.00 C ATOM 168 C VAL A 24 0.060 7.512 0.684 1.00 0.00 C ATOM 169 O VAL A 24 -0.538 6.823 -0.119 1.00 0.00 O ATOM 170 CB VAL A 24 -0.807 6.411 2.756 1.00 0.00 C ATOM 171 CG1 VAL A 24 -1.661 5.559 1.815 1.00 0.00 C ATOM 172 CG2 VAL A 24 0.500 5.676 3.063 1.00 0.00 C ATOM 0 H VAL A 24 -2.523 8.099 1.529 1.00 0.00 H new ATOM 0 HA VAL A 24 0.246 8.288 2.686 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.353 6.586 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.883 4.603 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.593 6.081 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.116 5.385 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.277 4.720 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.047 5.503 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.108 6.281 3.735 1.00 0.00 H new ATOM 182 N LYS A 25 1.195 8.077 0.376 1.00 0.00 N ATOM 183 CA LYS A 25 1.780 7.881 -0.981 1.00 0.00 C ATOM 184 C LYS A 25 2.679 6.644 -0.979 1.00 0.00 C ATOM 185 O LYS A 25 3.831 6.700 -0.599 1.00 0.00 O ATOM 186 CB LYS A 25 2.608 9.111 -1.363 1.00 0.00 C ATOM 187 CG LYS A 25 3.162 8.932 -2.779 1.00 0.00 C ATOM 188 CD LYS A 25 2.157 9.478 -3.794 1.00 0.00 C ATOM 189 CE LYS A 25 1.594 8.325 -4.628 1.00 0.00 C ATOM 190 NZ LYS A 25 0.601 8.858 -5.603 1.00 0.00 N ATOM 0 H LYS A 25 1.742 8.665 1.004 1.00 0.00 H new ATOM 0 HA LYS A 25 0.976 7.744 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.991 10.008 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.426 9.247 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.114 9.454 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.355 7.877 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.348 9.996 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.640 10.208 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.400 7.815 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.122 7.588 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.217 8.076 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.173 9.325 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.065 9.546 -6.230 1.00 0.00 H new ATOM 204 N GLU A 26 2.162 5.524 -1.406 1.00 0.00 N ATOM 205 CA GLU A 26 2.987 4.284 -1.434 1.00 0.00 C ATOM 206 C GLU A 26 3.651 4.148 -2.805 1.00 0.00 C ATOM 207 O GLU A 26 2.991 4.126 -3.825 1.00 0.00 O ATOM 208 CB GLU A 26 2.090 3.070 -1.179 1.00 0.00 C ATOM 209 CG GLU A 26 1.114 2.905 -2.344 1.00 0.00 C ATOM 210 CD GLU A 26 -0.266 2.528 -1.806 1.00 0.00 C ATOM 211 OE1 GLU A 26 -0.493 1.349 -1.587 1.00 0.00 O ATOM 212 OE2 GLU A 26 -1.074 3.424 -1.620 1.00 0.00 O ATOM 0 H GLU A 26 1.203 5.415 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 26 3.754 4.338 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.698 2.172 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.541 3.199 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.053 3.832 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.473 2.134 -3.026 1.00 0.00 H new ATOM 219 N MET A 27 4.952 4.059 -2.840 1.00 0.00 N ATOM 220 CA MET A 27 5.650 3.927 -4.149 1.00 0.00 C ATOM 221 C MET A 27 6.056 2.464 -4.368 1.00 0.00 C ATOM 222 O MET A 27 6.499 1.800 -3.448 1.00 0.00 O ATOM 223 CB MET A 27 6.899 4.808 -4.151 1.00 0.00 C ATOM 224 CG MET A 27 7.106 5.398 -5.547 1.00 0.00 C ATOM 225 SD MET A 27 8.259 6.789 -5.450 1.00 0.00 S ATOM 226 CE MET A 27 7.028 8.084 -5.166 1.00 0.00 C ATOM 0 H MET A 27 5.560 4.072 -2.021 1.00 0.00 H new ATOM 0 HA MET A 27 4.981 4.242 -4.950 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.793 5.608 -3.419 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.771 4.222 -3.860 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.496 4.635 -6.221 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.153 5.730 -5.958 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.529 9.048 -5.074 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.333 8.115 -6.005 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.480 7.870 -4.248 1.00 0.00 H new ATOM 236 N PRO A 28 5.897 2.004 -5.587 1.00 0.00 N ATOM 237 CA PRO A 28 6.233 0.620 -5.960 1.00 0.00 C ATOM 238 C PRO A 28 7.749 0.434 -5.986 1.00 0.00 C ATOM 239 O PRO A 28 8.249 -0.670 -6.067 1.00 0.00 O ATOM 240 CB PRO A 28 5.615 0.455 -7.352 1.00 0.00 C ATOM 241 CG PRO A 28 5.445 1.882 -7.921 1.00 0.00 C ATOM 242 CD PRO A 28 5.392 2.827 -6.707 1.00 0.00 C ATOM 0 HA PRO A 28 5.856 -0.123 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.258 -0.146 -7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.655 -0.057 -7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.275 2.140 -8.579 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.533 1.958 -8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.010 3.711 -6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.377 3.177 -6.518 1.00 0.00 H new ATOM 250 N ASP A 29 8.483 1.506 -5.894 1.00 0.00 N ATOM 251 CA ASP A 29 9.961 1.390 -5.885 1.00 0.00 C ATOM 252 C ASP A 29 10.426 1.246 -4.435 1.00 0.00 C ATOM 253 O ASP A 29 11.579 1.454 -4.122 1.00 0.00 O ATOM 254 CB ASP A 29 10.585 2.641 -6.511 1.00 0.00 C ATOM 255 CG ASP A 29 10.471 3.817 -5.539 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.357 4.208 -5.242 1.00 0.00 O ATOM 257 OD2 ASP A 29 11.503 4.305 -5.108 1.00 0.00 O ATOM 0 H ASP A 29 8.120 2.457 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 29 10.271 0.520 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.632 2.455 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.081 2.881 -7.447 1.00 0.00 H new ATOM 262 N LYS A 30 9.519 0.901 -3.552 1.00 0.00 N ATOM 263 CA LYS A 30 9.866 0.743 -2.116 1.00 0.00 C ATOM 264 C LYS A 30 10.022 2.124 -1.488 1.00 0.00 C ATOM 265 O LYS A 30 11.036 2.444 -0.899 1.00 0.00 O ATOM 266 CB LYS A 30 11.167 -0.044 -1.983 1.00 0.00 C ATOM 267 CG LYS A 30 11.059 -1.350 -2.772 1.00 0.00 C ATOM 268 CD LYS A 30 11.360 -2.531 -1.847 1.00 0.00 C ATOM 269 CE LYS A 30 12.198 -3.568 -2.598 1.00 0.00 C ATOM 270 NZ LYS A 30 13.645 -3.313 -2.348 1.00 0.00 N ATOM 0 H LYS A 30 8.540 0.721 -3.776 1.00 0.00 H new ATOM 0 HA LYS A 30 9.074 0.198 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.002 0.549 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.369 -0.257 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.059 -1.451 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.759 -1.341 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.896 -2.186 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.430 -2.981 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.933 -4.573 -2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.988 -3.516 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.215 -4.018 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.892 -2.360 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.839 -3.383 -1.329 1.00 0.00 H new ATOM 284 N THR A 31 9.019 2.950 -1.613 1.00 0.00 N ATOM 285 CA THR A 31 9.102 4.314 -1.030 1.00 0.00 C ATOM 286 C THR A 31 7.783 4.658 -0.336 1.00 0.00 C ATOM 287 O THR A 31 6.851 3.878 -0.328 1.00 0.00 O ATOM 288 CB THR A 31 9.371 5.325 -2.140 1.00 0.00 C ATOM 289 OG1 THR A 31 10.193 4.728 -3.133 1.00 0.00 O ATOM 290 CG2 THR A 31 10.074 6.552 -1.561 1.00 0.00 C ATOM 0 H THR A 31 8.146 2.736 -2.095 1.00 0.00 H new ATOM 0 HA THR A 31 9.912 4.347 -0.302 1.00 0.00 H new ATOM 0 HB THR A 31 8.425 5.632 -2.587 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.183 5.281 -3.942 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.264 7.272 -2.357 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.440 7.010 -0.802 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.020 6.251 -1.111 1.00 0.00 H new ATOM 298 N PHE A 32 7.698 5.823 0.247 1.00 0.00 N ATOM 299 CA PHE A 32 6.442 6.223 0.940 1.00 0.00 C ATOM 300 C PHE A 32 6.452 7.736 1.152 1.00 0.00 C ATOM 301 O PHE A 32 7.494 8.340 1.306 1.00 0.00 O ATOM 302 CB PHE A 32 6.358 5.515 2.295 1.00 0.00 C ATOM 303 CG PHE A 32 5.401 4.351 2.196 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.031 4.584 2.035 1.00 0.00 C ATOM 305 CD2 PHE A 32 5.884 3.039 2.266 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.144 3.506 1.942 1.00 0.00 C ATOM 307 CE2 PHE A 32 4.997 1.960 2.173 1.00 0.00 C ATOM 308 CZ PHE A 32 3.627 2.193 2.012 1.00 0.00 C ATOM 0 H PHE A 32 8.446 6.516 0.273 1.00 0.00 H new ATOM 0 HA PHE A 32 5.580 5.942 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.345 5.164 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.021 6.213 3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.658 5.596 1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.941 2.859 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.087 3.686 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.370 0.948 2.226 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.942 1.361 1.942 1.00 0.00 H new ATOM 318 N GLU A 33 5.305 8.361 1.160 1.00 0.00 N ATOM 319 CA GLU A 33 5.277 9.835 1.358 1.00 0.00 C ATOM 320 C GLU A 33 3.914 10.274 1.898 1.00 0.00 C ATOM 321 O GLU A 33 2.988 10.521 1.150 1.00 0.00 O ATOM 322 CB GLU A 33 5.543 10.534 0.023 1.00 0.00 C ATOM 323 CG GLU A 33 6.678 11.547 0.195 1.00 0.00 C ATOM 324 CD GLU A 33 7.513 11.601 -1.086 1.00 0.00 C ATOM 325 OE1 GLU A 33 7.910 10.547 -1.557 1.00 0.00 O ATOM 326 OE2 GLU A 33 7.744 12.695 -1.573 1.00 0.00 O ATOM 0 H GLU A 33 4.395 7.917 1.039 1.00 0.00 H new ATOM 0 HA GLU A 33 6.048 10.108 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.809 9.800 -0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.640 11.038 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.269 12.533 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.306 11.265 1.040 1.00 0.00 H new ATOM 333 N CYS A 34 3.791 10.392 3.191 1.00 0.00 N ATOM 334 CA CYS A 34 2.500 10.840 3.784 1.00 0.00 C ATOM 335 C CYS A 34 2.122 12.179 3.145 1.00 0.00 C ATOM 336 O CYS A 34 2.664 13.213 3.481 1.00 0.00 O ATOM 337 CB CYS A 34 2.690 11.013 5.294 1.00 0.00 C ATOM 338 SG CYS A 34 1.105 11.337 6.108 1.00 0.00 S ATOM 0 H CYS A 34 4.532 10.197 3.865 1.00 0.00 H new ATOM 0 HA CYS A 34 1.710 10.111 3.603 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.143 10.114 5.714 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.378 11.836 5.487 1.00 0.00 H new ATOM 343 N LEU A 35 1.215 12.168 2.204 1.00 0.00 N ATOM 344 CA LEU A 35 0.831 13.441 1.526 1.00 0.00 C ATOM 345 C LEU A 35 -0.124 14.254 2.404 1.00 0.00 C ATOM 346 O LEU A 35 -0.690 15.235 1.964 1.00 0.00 O ATOM 347 CB LEU A 35 0.155 13.129 0.189 1.00 0.00 C ATOM 348 CG LEU A 35 -0.920 12.060 0.388 1.00 0.00 C ATOM 349 CD1 LEU A 35 -2.177 12.453 -0.393 1.00 0.00 C ATOM 350 CD2 LEU A 35 -0.401 10.717 -0.129 1.00 0.00 C ATOM 0 H LEU A 35 0.725 11.336 1.876 1.00 0.00 H new ATOM 0 HA LEU A 35 1.733 14.028 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.291 14.034 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.896 12.783 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.160 11.976 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.945 11.692 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.546 13.412 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.936 12.534 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.166 9.953 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.164 10.802 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.497 10.437 0.422 1.00 0.00 H new ATOM 362 N PHE A 36 -0.306 13.876 3.639 1.00 0.00 N ATOM 363 CA PHE A 36 -1.219 14.661 4.515 1.00 0.00 C ATOM 364 C PHE A 36 -0.745 16.120 4.540 1.00 0.00 C ATOM 365 O PHE A 36 0.441 16.378 4.532 1.00 0.00 O ATOM 366 CB PHE A 36 -1.178 14.083 5.926 1.00 0.00 C ATOM 367 CG PHE A 36 -1.998 14.941 6.855 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.463 16.128 7.368 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.287 14.540 7.220 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.216 16.912 8.246 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.042 15.326 8.097 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.507 16.513 8.612 1.00 0.00 C ATOM 0 H PHE A 36 0.133 13.066 4.076 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.240 14.613 4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.564 13.064 5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.148 14.032 6.278 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.468 16.438 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.700 13.623 6.825 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.801 17.827 8.643 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.038 15.017 8.377 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.089 17.119 9.290 1.00 0.00 H new ATOM 382 N PRO A 37 -1.684 17.031 4.564 1.00 0.00 N ATOM 383 CA PRO A 37 -1.379 18.473 4.584 1.00 0.00 C ATOM 384 C PRO A 37 -0.900 18.895 5.970 1.00 0.00 C ATOM 385 O PRO A 37 -1.667 19.009 6.903 1.00 0.00 O ATOM 386 CB PRO A 37 -2.714 19.132 4.225 1.00 0.00 C ATOM 387 CG PRO A 37 -3.813 18.098 4.565 1.00 0.00 C ATOM 388 CD PRO A 37 -3.127 16.717 4.578 1.00 0.00 C ATOM 0 HA PRO A 37 -0.582 18.756 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.858 20.053 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.744 19.399 3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.264 18.316 5.533 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.614 18.126 3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.402 16.144 5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.414 16.121 3.711 1.00 0.00 H new ATOM 396 N GLY A 38 0.375 19.113 6.104 1.00 0.00 N ATOM 397 CA GLY A 38 0.938 19.507 7.422 1.00 0.00 C ATOM 398 C GLY A 38 2.009 18.488 7.801 1.00 0.00 C ATOM 399 O GLY A 38 2.856 18.736 8.637 1.00 0.00 O ATOM 0 H GLY A 38 1.058 19.034 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.366 20.508 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.154 19.535 8.178 1.00 0.00 H new ATOM 403 N CYS A 39 1.977 17.338 7.180 1.00 0.00 N ATOM 404 CA CYS A 39 2.990 16.289 7.486 1.00 0.00 C ATOM 405 C CYS A 39 4.355 16.725 6.947 1.00 0.00 C ATOM 406 O CYS A 39 4.461 17.669 6.189 1.00 0.00 O ATOM 407 CB CYS A 39 2.581 14.980 6.810 1.00 0.00 C ATOM 408 SG CYS A 39 3.502 13.607 7.542 1.00 0.00 S ATOM 0 H CYS A 39 1.290 17.081 6.472 1.00 0.00 H new ATOM 0 HA CYS A 39 3.050 16.146 8.565 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.510 14.817 6.928 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.779 15.034 5.739 1.00 0.00 H new ATOM 413 N THR A 40 5.401 16.041 7.325 1.00 0.00 N ATOM 414 CA THR A 40 6.754 16.413 6.828 1.00 0.00 C ATOM 415 C THR A 40 7.704 15.222 6.995 1.00 0.00 C ATOM 416 O THR A 40 8.893 15.387 7.176 1.00 0.00 O ATOM 417 CB THR A 40 7.283 17.603 7.633 1.00 0.00 C ATOM 418 OG1 THR A 40 6.208 18.212 8.335 1.00 0.00 O ATOM 419 CG2 THR A 40 7.916 18.622 6.683 1.00 0.00 C ATOM 0 H THR A 40 5.376 15.241 7.957 1.00 0.00 H new ATOM 0 HA THR A 40 6.693 16.685 5.774 1.00 0.00 H new ATOM 0 HB THR A 40 8.033 17.257 8.344 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.545 18.973 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.292 19.469 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.740 18.154 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.167 18.970 5.971 1.00 0.00 H new ATOM 427 N LYS A 41 7.188 14.022 6.939 1.00 0.00 N ATOM 428 CA LYS A 41 8.070 12.828 7.099 1.00 0.00 C ATOM 429 C LYS A 41 7.720 11.774 6.043 1.00 0.00 C ATOM 430 O LYS A 41 6.566 11.529 5.754 1.00 0.00 O ATOM 431 CB LYS A 41 7.868 12.233 8.495 1.00 0.00 C ATOM 432 CG LYS A 41 9.208 11.726 9.035 1.00 0.00 C ATOM 433 CD LYS A 41 9.741 12.705 10.084 1.00 0.00 C ATOM 434 CE LYS A 41 8.923 12.573 11.370 1.00 0.00 C ATOM 435 NZ LYS A 41 9.815 12.766 12.548 1.00 0.00 N ATOM 0 H LYS A 41 6.200 13.818 6.790 1.00 0.00 H new ATOM 0 HA LYS A 41 9.110 13.130 6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.455 12.986 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.149 11.415 8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.083 10.737 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.925 11.624 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.792 12.500 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.682 13.726 9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.122 13.312 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.451 11.591 11.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.259 12.676 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.564 12.045 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.245 13.712 12.507 1.00 0.00 H new ATOM 449 N THR A 42 8.712 11.143 5.471 1.00 0.00 N ATOM 450 CA THR A 42 8.444 10.098 4.440 1.00 0.00 C ATOM 451 C THR A 42 9.060 8.772 4.892 1.00 0.00 C ATOM 452 O THR A 42 9.779 8.714 5.870 1.00 0.00 O ATOM 453 CB THR A 42 9.063 10.513 3.105 1.00 0.00 C ATOM 454 OG1 THR A 42 10.427 10.117 3.075 1.00 0.00 O ATOM 455 CG2 THR A 42 8.965 12.028 2.940 1.00 0.00 C ATOM 0 H THR A 42 9.698 11.307 5.674 1.00 0.00 H new ATOM 0 HA THR A 42 7.367 9.983 4.317 1.00 0.00 H new ATOM 0 HB THR A 42 8.525 10.029 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.825 10.381 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.407 12.320 1.987 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.918 12.329 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.500 12.518 3.753 1.00 0.00 H new ATOM 463 N PHE A 43 8.784 7.705 4.192 1.00 0.00 N ATOM 464 CA PHE A 43 9.354 6.389 4.592 1.00 0.00 C ATOM 465 C PHE A 43 9.649 5.553 3.344 1.00 0.00 C ATOM 466 O PHE A 43 9.545 6.026 2.229 1.00 0.00 O ATOM 467 CB PHE A 43 8.346 5.658 5.478 1.00 0.00 C ATOM 468 CG PHE A 43 7.632 6.667 6.349 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.657 7.504 5.792 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.952 6.773 7.707 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.002 8.446 6.594 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.299 7.717 8.509 1.00 0.00 C ATOM 473 CZ PHE A 43 6.323 8.553 7.953 1.00 0.00 C ATOM 0 H PHE A 43 8.190 7.689 3.363 1.00 0.00 H new ATOM 0 HA PHE A 43 10.282 6.543 5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.627 5.117 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.855 4.920 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.410 7.423 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.703 6.127 8.137 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.249 9.090 6.165 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.548 7.800 9.557 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.818 9.280 8.572 1.00 0.00 H new ATOM 483 N LYS A 44 10.022 4.313 3.521 1.00 0.00 N ATOM 484 CA LYS A 44 10.329 3.454 2.342 1.00 0.00 C ATOM 485 C LYS A 44 9.804 2.037 2.583 1.00 0.00 C ATOM 486 O LYS A 44 10.217 1.366 3.507 1.00 0.00 O ATOM 487 CB LYS A 44 11.845 3.403 2.133 1.00 0.00 C ATOM 488 CG LYS A 44 12.261 4.475 1.124 1.00 0.00 C ATOM 489 CD LYS A 44 13.199 5.478 1.802 1.00 0.00 C ATOM 490 CE LYS A 44 14.635 5.234 1.333 1.00 0.00 C ATOM 491 NZ LYS A 44 15.240 4.135 2.135 1.00 0.00 N ATOM 0 H LYS A 44 10.127 3.860 4.429 1.00 0.00 H new ATOM 0 HA LYS A 44 9.848 3.871 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.358 3.563 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.140 2.417 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.760 4.013 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.380 4.988 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.895 6.497 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.137 5.375 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.644 4.973 0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.224 6.145 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.216 3.969 1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.245 4.401 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.683 3.266 2.009 1.00 0.00 H new ATOM 505 N ARG A 45 8.902 1.578 1.749 1.00 0.00 N ATOM 506 CA ARG A 45 8.345 0.201 1.911 1.00 0.00 C ATOM 507 C ARG A 45 8.182 -0.134 3.395 1.00 0.00 C ATOM 508 O ARG A 45 8.627 -1.165 3.860 1.00 0.00 O ATOM 509 CB ARG A 45 9.295 -0.809 1.263 1.00 0.00 C ATOM 510 CG ARG A 45 10.649 -0.763 1.972 1.00 0.00 C ATOM 511 CD ARG A 45 11.414 -2.060 1.702 1.00 0.00 C ATOM 512 NE ARG A 45 11.750 -2.712 2.999 1.00 0.00 N ATOM 513 CZ ARG A 45 12.041 -3.984 3.035 1.00 0.00 C ATOM 514 NH1 ARG A 45 11.119 -4.871 2.777 1.00 0.00 N ATOM 515 NH2 ARG A 45 13.253 -4.368 3.327 1.00 0.00 N ATOM 0 H ARG A 45 8.527 2.103 0.959 1.00 0.00 H new ATOM 0 HA ARG A 45 7.369 0.154 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.874 -1.812 1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.419 -0.581 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.226 0.092 1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.505 -0.630 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.811 -2.731 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.325 -1.849 1.141 1.00 0.00 H new ATOM 0 HE ARG A 45 11.753 -2.164 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.172 -4.570 2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.346 -5.865 2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.973 -3.674 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.480 -5.362 3.355 1.00 0.00 H new ATOM 529 N ARG A 46 7.552 0.727 4.147 1.00 0.00 N ATOM 530 CA ARG A 46 7.370 0.449 5.601 1.00 0.00 C ATOM 531 C ARG A 46 5.881 0.472 5.949 1.00 0.00 C ATOM 532 O ARG A 46 5.099 1.171 5.335 1.00 0.00 O ATOM 533 CB ARG A 46 8.104 1.515 6.417 1.00 0.00 C ATOM 534 CG ARG A 46 9.239 0.861 7.207 1.00 0.00 C ATOM 535 CD ARG A 46 9.295 1.461 8.613 1.00 0.00 C ATOM 536 NE ARG A 46 10.684 1.363 9.140 1.00 0.00 N ATOM 537 CZ ARG A 46 11.423 2.434 9.236 1.00 0.00 C ATOM 538 NH1 ARG A 46 11.228 3.435 8.422 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.355 2.504 10.146 1.00 0.00 N ATOM 0 H ARG A 46 7.156 1.608 3.819 1.00 0.00 H new ATOM 0 HA ARG A 46 7.777 -0.535 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.503 2.284 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.410 2.009 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.082 -0.216 7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.189 1.017 6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.977 2.503 8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.606 0.933 9.273 1.00 0.00 H new ATOM 0 HE ARG A 46 11.058 0.458 9.426 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.498 3.380 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.805 4.273 8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.506 1.721 10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.933 3.341 10.221 1.00 0.00 H new ATOM 553 N TYR A 47 5.481 -0.291 6.932 1.00 0.00 N ATOM 554 CA TYR A 47 4.043 -0.318 7.323 1.00 0.00 C ATOM 555 C TYR A 47 3.900 0.327 8.694 1.00 0.00 C ATOM 556 O TYR A 47 2.930 0.114 9.394 1.00 0.00 O ATOM 557 CB TYR A 47 3.534 -1.762 7.425 1.00 0.00 C ATOM 558 CG TYR A 47 4.661 -2.730 7.167 1.00 0.00 C ATOM 559 CD1 TYR A 47 4.972 -3.106 5.860 1.00 0.00 C ATOM 560 CD2 TYR A 47 5.394 -3.244 8.242 1.00 0.00 C ATOM 561 CE1 TYR A 47 6.020 -4.003 5.620 1.00 0.00 C ATOM 562 CE2 TYR A 47 6.442 -4.142 8.006 1.00 0.00 C ATOM 563 CZ TYR A 47 6.755 -4.523 6.694 1.00 0.00 C ATOM 564 OH TYR A 47 7.788 -5.407 6.459 1.00 0.00 O ATOM 0 H TYR A 47 6.090 -0.897 7.481 1.00 0.00 H new ATOM 0 HA TYR A 47 3.466 0.216 6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.113 -1.938 8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.733 -1.925 6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.404 -2.705 5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.152 -2.949 9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.262 -4.294 4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.009 -4.541 8.834 1.00 0.00 H new ATOM 0 HH TYR A 47 8.194 -5.670 7.311 1.00 0.00 H new ATOM 574 N ASN A 48 4.857 1.112 9.088 1.00 0.00 N ATOM 575 CA ASN A 48 4.767 1.761 10.413 1.00 0.00 C ATOM 576 C ASN A 48 4.379 3.221 10.204 1.00 0.00 C ATOM 577 O ASN A 48 3.931 3.902 11.105 1.00 0.00 O ATOM 578 CB ASN A 48 6.121 1.683 11.123 1.00 0.00 C ATOM 579 CG ASN A 48 6.149 0.455 12.035 1.00 0.00 C ATOM 580 OD1 ASN A 48 5.614 0.480 13.126 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.757 -0.627 11.632 1.00 0.00 N ATOM 0 H ASN A 48 5.695 1.330 8.549 1.00 0.00 H new ATOM 0 HA ASN A 48 4.021 1.257 11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.925 1.623 10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.290 2.587 11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.783 -1.451 12.232 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.206 -0.649 10.716 1.00 0.00 H new ATOM 588 N ILE A 49 4.544 3.694 9.003 1.00 0.00 N ATOM 589 CA ILE A 49 4.183 5.104 8.699 1.00 0.00 C ATOM 590 C ILE A 49 2.658 5.202 8.620 1.00 0.00 C ATOM 591 O ILE A 49 2.066 6.181 9.030 1.00 0.00 O ATOM 592 CB ILE A 49 4.857 5.577 7.378 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.812 6.052 6.361 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.679 4.452 6.742 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.093 4.849 5.750 1.00 0.00 C ATOM 0 H ILE A 49 4.915 3.163 8.215 1.00 0.00 H new ATOM 0 HA ILE A 49 4.547 5.762 9.488 1.00 0.00 H new ATOM 0 HB ILE A 49 5.514 6.406 7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.091 6.708 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.295 6.635 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.138 4.812 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.458 4.134 7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.027 3.608 6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.353 5.195 5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.818 4.209 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.595 4.284 6.538 1.00 0.00 H new ATOM 607 N ARG A 50 2.014 4.188 8.111 1.00 0.00 N ATOM 608 CA ARG A 50 0.529 4.226 8.028 1.00 0.00 C ATOM 609 C ARG A 50 -0.024 4.469 9.429 1.00 0.00 C ATOM 610 O ARG A 50 -0.954 5.227 9.620 1.00 0.00 O ATOM 611 CB ARG A 50 0.005 2.894 7.487 1.00 0.00 C ATOM 612 CG ARG A 50 0.483 1.751 8.385 1.00 0.00 C ATOM 613 CD ARG A 50 -0.121 0.433 7.899 1.00 0.00 C ATOM 614 NE ARG A 50 0.261 0.206 6.477 1.00 0.00 N ATOM 615 CZ ARG A 50 -0.235 -0.807 5.822 1.00 0.00 C ATOM 616 NH1 ARG A 50 -0.875 -1.749 6.460 1.00 0.00 N ATOM 617 NH2 ARG A 50 -0.091 -0.881 4.527 1.00 0.00 N ATOM 0 H ARG A 50 2.450 3.339 7.751 1.00 0.00 H new ATOM 0 HA ARG A 50 0.212 5.024 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.084 2.909 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.358 2.740 6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.571 1.692 8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.189 1.939 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.233 -0.392 8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.206 0.461 7.995 1.00 0.00 H new ATOM 0 HE ARG A 50 0.911 0.843 6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.988 -1.694 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.262 -2.541 5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.410 -0.146 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.479 -1.673 4.015 1.00 0.00 H new ATOM 631 N SER A 51 0.559 3.844 10.417 1.00 0.00 N ATOM 632 CA SER A 51 0.085 4.054 11.809 1.00 0.00 C ATOM 633 C SER A 51 0.463 5.471 12.234 1.00 0.00 C ATOM 634 O SER A 51 -0.251 6.126 12.968 1.00 0.00 O ATOM 635 CB SER A 51 0.755 3.041 12.738 1.00 0.00 C ATOM 636 OG SER A 51 -0.021 2.904 13.922 1.00 0.00 O ATOM 0 H SER A 51 1.342 3.198 10.317 1.00 0.00 H new ATOM 0 HA SER A 51 -0.995 3.920 11.864 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.848 2.077 12.237 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.764 3.370 12.987 1.00 0.00 H new ATOM 0 HG SER A 51 0.405 2.254 14.519 1.00 0.00 H new ATOM 642 N HIS A 52 1.583 5.951 11.764 1.00 0.00 N ATOM 643 CA HIS A 52 2.014 7.330 12.121 1.00 0.00 C ATOM 644 C HIS A 52 0.909 8.308 11.719 1.00 0.00 C ATOM 645 O HIS A 52 0.594 9.236 12.437 1.00 0.00 O ATOM 646 CB HIS A 52 3.346 7.648 11.394 1.00 0.00 C ATOM 647 CG HIS A 52 3.281 8.985 10.691 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.090 10.052 11.049 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.470 9.452 9.687 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.741 11.101 10.280 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.755 10.789 9.434 1.00 0.00 N ATOM 0 H HIS A 52 2.218 5.445 11.147 1.00 0.00 H new ATOM 0 HA HIS A 52 2.183 7.421 13.194 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.164 7.653 12.114 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.564 6.864 10.669 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.817 10.044 11.764 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.722 8.868 9.171 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.202 12.076 10.340 1.00 0.00 H new ATOM 659 N ILE A 53 0.315 8.103 10.580 1.00 0.00 N ATOM 660 CA ILE A 53 -0.769 9.018 10.144 1.00 0.00 C ATOM 661 C ILE A 53 -1.933 8.876 11.114 1.00 0.00 C ATOM 662 O ILE A 53 -2.303 9.810 11.794 1.00 0.00 O ATOM 663 CB ILE A 53 -1.234 8.635 8.733 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.055 8.704 7.760 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.326 9.598 8.273 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.562 8.538 6.326 1.00 0.00 C ATOM 0 H ILE A 53 0.533 7.344 9.935 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.407 10.046 10.132 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.628 7.619 8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.461 9.658 7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.668 7.923 7.993 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.654 9.324 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.171 9.544 8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.933 10.615 8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.279 8.587 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.058 7.573 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.269 9.335 6.095 1.00 0.00 H new ATOM 678 N GLN A 54 -2.503 7.704 11.180 1.00 0.00 N ATOM 679 CA GLN A 54 -3.648 7.468 12.102 1.00 0.00 C ATOM 680 C GLN A 54 -3.418 8.212 13.409 1.00 0.00 C ATOM 681 O GLN A 54 -4.351 8.622 14.069 1.00 0.00 O ATOM 682 CB GLN A 54 -3.783 5.970 12.384 1.00 0.00 C ATOM 683 CG GLN A 54 -5.087 5.451 11.773 1.00 0.00 C ATOM 684 CD GLN A 54 -4.796 4.216 10.918 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.550 3.263 10.930 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.728 4.190 10.168 1.00 0.00 N ATOM 0 H GLN A 54 -2.221 6.893 10.629 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.563 7.833 11.635 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.933 5.432 11.964 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.775 5.789 13.459 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.796 5.201 12.562 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.549 6.227 11.163 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.094 4.989 10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.528 3.371 9.594 1.00 0.00 H new ATOM 695 N THR A 55 -2.188 8.403 13.794 1.00 0.00 N ATOM 696 CA THR A 55 -1.942 9.139 15.058 1.00 0.00 C ATOM 697 C THR A 55 -2.103 10.630 14.797 1.00 0.00 C ATOM 698 O THR A 55 -2.797 11.324 15.513 1.00 0.00 O ATOM 699 CB THR A 55 -0.530 8.845 15.569 1.00 0.00 C ATOM 700 OG1 THR A 55 0.099 7.906 14.708 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.607 8.270 16.985 1.00 0.00 C ATOM 0 H THR A 55 -1.356 8.086 13.296 1.00 0.00 H new ATOM 0 HA THR A 55 -2.657 8.819 15.816 1.00 0.00 H new ATOM 0 HB THR A 55 0.050 9.768 15.585 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.611 8.383 14.022 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.399 8.061 17.348 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.088 8.992 17.645 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.187 7.347 16.972 1.00 0.00 H new ATOM 709 N HIS A 56 -1.480 11.130 13.771 1.00 0.00 N ATOM 710 CA HIS A 56 -1.613 12.568 13.467 1.00 0.00 C ATOM 711 C HIS A 56 -2.711 12.756 12.420 1.00 0.00 C ATOM 712 O HIS A 56 -2.775 13.751 11.727 1.00 0.00 O ATOM 713 CB HIS A 56 -0.252 13.113 13.023 1.00 0.00 C ATOM 714 CG HIS A 56 -0.084 13.198 11.530 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.577 14.253 10.777 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.685 12.462 10.675 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.070 14.128 9.531 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.708 13.049 9.417 1.00 0.00 N ATOM 0 H HIS A 56 -0.886 10.601 13.133 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.911 13.136 14.348 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.112 14.106 13.451 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.533 12.477 13.431 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.206 14.987 11.103 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.202 11.552 10.940 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.270 14.818 8.724 1.00 0.00 H new ATOM 726 N LEU A 57 -3.604 11.799 12.347 1.00 0.00 N ATOM 727 CA LEU A 57 -4.747 11.892 11.400 1.00 0.00 C ATOM 728 C LEU A 57 -6.040 11.487 12.123 1.00 0.00 C ATOM 729 O LEU A 57 -7.126 11.808 11.681 1.00 0.00 O ATOM 730 CB LEU A 57 -4.528 10.966 10.202 1.00 0.00 C ATOM 731 CG LEU A 57 -4.221 11.808 8.968 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.409 12.723 8.667 1.00 0.00 C ATOM 733 CD2 LEU A 57 -2.975 12.652 9.239 1.00 0.00 C ATOM 0 H LEU A 57 -3.585 10.950 12.912 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.824 12.919 11.042 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.705 10.280 10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.416 10.357 10.030 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.044 11.159 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.190 13.325 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.297 12.118 8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.588 13.379 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.748 13.258 8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.156 13.304 10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.132 11.996 9.456 1.00 0.00 H new ATOM 745 N GLU A 58 -5.943 10.785 13.228 1.00 0.00 N ATOM 746 CA GLU A 58 -7.178 10.374 13.954 1.00 0.00 C ATOM 747 C GLU A 58 -8.059 11.600 14.208 1.00 0.00 C ATOM 748 O GLU A 58 -9.243 11.484 14.454 1.00 0.00 O ATOM 749 CB GLU A 58 -6.795 9.734 15.290 1.00 0.00 C ATOM 750 CG GLU A 58 -5.864 10.673 16.059 1.00 0.00 C ATOM 751 CD GLU A 58 -5.976 10.389 17.558 1.00 0.00 C ATOM 752 OE1 GLU A 58 -5.499 9.347 17.979 1.00 0.00 O ATOM 753 OE2 GLU A 58 -6.536 11.215 18.258 1.00 0.00 O ATOM 0 H GLU A 58 -5.066 10.483 13.653 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.729 9.653 13.350 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.690 9.531 15.878 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.303 8.777 15.119 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.835 10.533 15.728 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.127 11.711 15.854 1.00 0.00 H new ATOM 760 N ASP A 59 -7.492 12.774 14.154 1.00 0.00 N ATOM 761 CA ASP A 59 -8.300 14.003 14.392 1.00 0.00 C ATOM 762 C ASP A 59 -7.434 15.239 14.143 1.00 0.00 C ATOM 763 O ASP A 59 -7.897 16.241 13.635 1.00 0.00 O ATOM 764 CB ASP A 59 -8.798 14.012 15.839 1.00 0.00 C ATOM 765 CG ASP A 59 -10.324 14.126 15.854 1.00 0.00 C ATOM 766 OD1 ASP A 59 -10.835 15.055 15.252 1.00 0.00 O ATOM 767 OD2 ASP A 59 -10.955 13.280 16.467 1.00 0.00 O ATOM 0 H ASP A 59 -6.505 12.935 13.955 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.153 14.015 13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.486 13.100 16.348 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.355 14.847 16.382 1.00 0.00 H new ATOM 772 N ARG A 60 -6.179 15.175 14.494 1.00 0.00 N ATOM 773 CA ARG A 60 -5.285 16.345 14.276 1.00 0.00 C ATOM 774 C ARG A 60 -4.542 16.175 12.950 1.00 0.00 C ATOM 775 O ARG A 60 -4.920 15.299 12.189 1.00 0.00 O ATOM 776 CB ARG A 60 -4.273 16.435 15.420 1.00 0.00 C ATOM 777 CG ARG A 60 -4.533 17.704 16.235 1.00 0.00 C ATOM 778 CD ARG A 60 -3.251 18.537 16.308 1.00 0.00 C ATOM 779 NE ARG A 60 -3.315 19.443 17.490 1.00 0.00 N ATOM 780 CZ ARG A 60 -2.217 19.793 18.103 1.00 0.00 C ATOM 781 NH1 ARG A 60 -1.565 18.921 18.823 1.00 0.00 N ATOM 782 NH2 ARG A 60 -1.773 21.015 17.997 1.00 0.00 N ATOM 783 OXT ARG A 60 -3.606 16.924 12.717 1.00 0.00 O ATOM 0 H ARG A 60 -5.735 14.363 14.922 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.880 17.258 14.246 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.353 15.556 16.060 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.258 16.448 15.022 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.332 18.286 15.776 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.866 17.442 17.239 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.383 17.882 16.385 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.131 19.120 15.395 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.216 19.789 17.820 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.914 17.966 18.907 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.707 19.195 19.302 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.284 21.696 17.435 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.915 21.289 18.476 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.906 12.076 8.143 1.00 0.00 ZN