USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Single : A 14 THR OG1 : rot -33:sc= 0.33 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= -0.297 (180deg=-0.334) USER MOD Single : A 27 MET CE :methyl -156:sc= -0.158 (180deg=-1.15) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 139:sc= -0.436 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.455 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= -2.38! K(o=-2.4!,f=-0.93) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -17.056 -1.734 9.558 1.00 0.00 N ATOM 2 CA THR A 14 -16.683 -1.789 11.000 1.00 0.00 C ATOM 3 C THR A 14 -15.511 -0.842 11.262 1.00 0.00 C ATOM 4 O THR A 14 -15.447 -0.185 12.281 1.00 0.00 O ATOM 5 CB THR A 14 -16.275 -3.219 11.366 1.00 0.00 C ATOM 6 OG1 THR A 14 -15.350 -3.705 10.404 1.00 0.00 O ATOM 7 CG2 THR A 14 -17.512 -4.116 11.388 1.00 0.00 C ATOM 0 HA THR A 14 -17.536 -1.486 11.607 1.00 0.00 H new ATOM 0 HB THR A 14 -15.811 -3.224 12.352 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.564 -3.328 9.525 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.219 -5.133 11.649 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.220 -3.741 12.127 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.980 -4.114 10.404 1.00 0.00 H new ATOM 17 N LEU A 15 -14.581 -0.766 10.349 1.00 0.00 N ATOM 18 CA LEU A 15 -13.413 0.138 10.547 1.00 0.00 C ATOM 19 C LEU A 15 -13.068 0.828 9.224 1.00 0.00 C ATOM 20 O LEU A 15 -12.192 0.385 8.507 1.00 0.00 O ATOM 21 CB LEU A 15 -12.212 -0.680 11.025 1.00 0.00 C ATOM 22 CG LEU A 15 -12.610 -1.507 12.247 1.00 0.00 C ATOM 23 CD1 LEU A 15 -11.505 -2.516 12.564 1.00 0.00 C ATOM 24 CD2 LEU A 15 -12.809 -0.577 13.446 1.00 0.00 C ATOM 0 H LEU A 15 -14.580 -1.291 9.475 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.660 0.892 11.294 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.865 -1.336 10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.384 -0.017 11.276 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.538 -2.039 12.039 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.790 -3.105 13.436 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.361 -3.178 11.710 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.576 -1.985 12.773 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.093 -1.165 14.319 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.880 -0.046 13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.596 0.143 13.221 1.00 0.00 H new ATOM 36 N PRO A 16 -13.771 1.894 8.941 1.00 0.00 N ATOM 37 CA PRO A 16 -13.567 2.677 7.709 1.00 0.00 C ATOM 38 C PRO A 16 -12.333 3.575 7.844 1.00 0.00 C ATOM 39 O PRO A 16 -12.226 4.365 8.761 1.00 0.00 O ATOM 40 CB PRO A 16 -14.842 3.517 7.602 1.00 0.00 C ATOM 41 CG PRO A 16 -15.433 3.599 9.031 1.00 0.00 C ATOM 42 CD PRO A 16 -14.834 2.420 9.822 1.00 0.00 C ATOM 0 HA PRO A 16 -13.396 2.056 6.830 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.620 4.512 7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.552 3.059 6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.180 4.549 9.501 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.521 3.536 9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.431 2.747 10.780 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.586 1.661 10.035 1.00 0.00 H new ATOM 50 N ARG A 17 -11.400 3.459 6.939 1.00 0.00 N ATOM 51 CA ARG A 17 -10.179 4.303 7.016 1.00 0.00 C ATOM 52 C ARG A 17 -9.970 5.022 5.682 1.00 0.00 C ATOM 53 O ARG A 17 -8.986 4.814 5.001 1.00 0.00 O ATOM 54 CB ARG A 17 -8.965 3.420 7.317 1.00 0.00 C ATOM 55 CG ARG A 17 -8.954 3.060 8.805 1.00 0.00 C ATOM 56 CD ARG A 17 -8.877 4.339 9.640 1.00 0.00 C ATOM 57 NE ARG A 17 -10.078 4.432 10.517 1.00 0.00 N ATOM 58 CZ ARG A 17 -10.066 5.221 11.557 1.00 0.00 C ATOM 59 NH1 ARG A 17 -9.210 5.016 12.520 1.00 0.00 N ATOM 60 NH2 ARG A 17 -10.909 6.214 11.635 1.00 0.00 N ATOM 0 H ARG A 17 -11.433 2.814 6.149 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.297 5.040 7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.002 2.514 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.046 3.943 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.853 2.500 9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.103 2.416 9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.971 4.337 10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.822 5.210 8.987 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.909 3.880 10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.551 4.240 12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.200 5.632 13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.579 6.375 10.883 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.898 6.829 12.448 1.00 0.00 H new ATOM 74 N GLY A 18 -10.888 5.869 5.305 1.00 0.00 N ATOM 75 CA GLY A 18 -10.743 6.602 4.016 1.00 0.00 C ATOM 76 C GLY A 18 -9.850 7.829 4.219 1.00 0.00 C ATOM 77 O GLY A 18 -9.623 8.599 3.308 1.00 0.00 O ATOM 0 H GLY A 18 -11.733 6.085 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.311 5.946 3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.722 6.909 3.649 1.00 0.00 H new ATOM 81 N SER A 19 -9.340 8.016 5.407 1.00 0.00 N ATOM 82 CA SER A 19 -8.464 9.190 5.664 1.00 0.00 C ATOM 83 C SER A 19 -7.001 8.751 5.592 1.00 0.00 C ATOM 84 O SER A 19 -6.136 9.500 5.184 1.00 0.00 O ATOM 85 CB SER A 19 -8.761 9.756 7.053 1.00 0.00 C ATOM 86 OG SER A 19 -7.564 10.279 7.613 1.00 0.00 O ATOM 0 H SER A 19 -9.494 7.405 6.209 1.00 0.00 H new ATOM 0 HA SER A 19 -8.653 9.959 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.517 10.539 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.167 8.976 7.697 1.00 0.00 H new ATOM 0 HG SER A 19 -7.751 10.644 8.503 1.00 0.00 H new ATOM 92 N ILE A 20 -6.721 7.540 5.984 1.00 0.00 N ATOM 93 CA ILE A 20 -5.317 7.046 5.938 1.00 0.00 C ATOM 94 C ILE A 20 -4.927 6.776 4.488 1.00 0.00 C ATOM 95 O ILE A 20 -3.898 7.217 4.014 1.00 0.00 O ATOM 96 CB ILE A 20 -5.208 5.751 6.744 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.051 5.867 8.016 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.748 5.507 7.125 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.783 7.216 8.686 1.00 0.00 C ATOM 0 H ILE A 20 -7.405 6.870 6.335 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.650 7.796 6.363 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.571 4.919 6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.109 5.774 7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.808 5.054 8.701 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.671 4.584 7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.145 5.423 6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.385 6.340 7.727 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.384 7.298 9.592 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.726 7.291 8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.048 8.021 8.001 1.00 0.00 H new ATOM 111 N ASP A 21 -5.745 6.054 3.783 1.00 0.00 N ATOM 112 CA ASP A 21 -5.437 5.747 2.358 1.00 0.00 C ATOM 113 C ASP A 21 -5.574 7.021 1.523 1.00 0.00 C ATOM 114 O ASP A 21 -5.068 7.111 0.421 1.00 0.00 O ATOM 115 CB ASP A 21 -6.413 4.690 1.839 1.00 0.00 C ATOM 116 CG ASP A 21 -6.224 3.390 2.625 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.778 3.465 3.757 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.529 2.342 2.080 1.00 0.00 O ATOM 0 H ASP A 21 -6.619 5.660 4.131 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.418 5.368 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.438 5.044 1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.243 4.513 0.777 1.00 0.00 H new ATOM 123 N LYS A 22 -6.257 8.007 2.036 1.00 0.00 N ATOM 124 CA LYS A 22 -6.428 9.274 1.270 1.00 0.00 C ATOM 125 C LYS A 22 -5.214 10.179 1.498 1.00 0.00 C ATOM 126 O LYS A 22 -5.149 11.283 0.993 1.00 0.00 O ATOM 127 CB LYS A 22 -7.694 9.990 1.746 1.00 0.00 C ATOM 128 CG LYS A 22 -7.868 11.296 0.968 1.00 0.00 C ATOM 129 CD LYS A 22 -9.358 11.629 0.856 1.00 0.00 C ATOM 130 CE LYS A 22 -9.811 12.369 2.115 1.00 0.00 C ATOM 131 NZ LYS A 22 -10.633 13.550 1.728 1.00 0.00 N ATOM 0 H LYS A 22 -6.704 7.990 2.953 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.516 9.046 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.563 9.349 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.627 10.197 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.341 12.105 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.430 11.201 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.539 12.244 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.938 10.714 0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.391 11.702 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.944 12.689 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.941 14.054 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.065 14.189 1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.467 13.233 1.194 1.00 0.00 H new ATOM 145 N TYR A 23 -4.252 9.723 2.253 1.00 0.00 N ATOM 146 CA TYR A 23 -3.047 10.559 2.509 1.00 0.00 C ATOM 147 C TYR A 23 -1.827 9.652 2.688 1.00 0.00 C ATOM 148 O TYR A 23 -0.845 10.029 3.297 1.00 0.00 O ATOM 149 CB TYR A 23 -3.262 11.386 3.779 1.00 0.00 C ATOM 150 CG TYR A 23 -4.099 12.600 3.451 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.670 13.500 2.468 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.304 12.824 4.128 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.445 14.625 2.164 1.00 0.00 C ATOM 154 CE2 TYR A 23 -6.080 13.949 3.823 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.650 14.850 2.840 1.00 0.00 C ATOM 156 OH TYR A 23 -6.414 15.959 2.538 1.00 0.00 O ATOM 0 H TYR A 23 -4.249 8.808 2.703 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.880 11.228 1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.758 10.783 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.302 11.694 4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.741 13.326 1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.635 12.129 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.113 15.320 1.407 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.009 14.122 4.345 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.219 15.964 3.097 1.00 0.00 H new ATOM 166 N VAL A 24 -1.883 8.459 2.164 1.00 0.00 N ATOM 167 CA VAL A 24 -0.730 7.528 2.303 1.00 0.00 C ATOM 168 C VAL A 24 -0.228 7.124 0.914 1.00 0.00 C ATOM 169 O VAL A 24 -0.940 6.517 0.139 1.00 0.00 O ATOM 170 CB VAL A 24 -1.177 6.283 3.072 1.00 0.00 C ATOM 171 CG1 VAL A 24 -2.059 5.413 2.174 1.00 0.00 C ATOM 172 CG2 VAL A 24 0.053 5.484 3.507 1.00 0.00 C ATOM 0 H VAL A 24 -2.679 8.089 1.645 1.00 0.00 H new ATOM 0 HA VAL A 24 0.076 8.021 2.846 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.745 6.586 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.376 4.527 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.936 5.981 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.494 5.110 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.265 4.597 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.621 5.183 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.680 6.102 4.150 1.00 0.00 H new ATOM 182 N LYS A 25 0.993 7.457 0.593 1.00 0.00 N ATOM 183 CA LYS A 25 1.534 7.092 -0.747 1.00 0.00 C ATOM 184 C LYS A 25 2.542 5.950 -0.603 1.00 0.00 C ATOM 185 O LYS A 25 3.641 6.135 -0.120 1.00 0.00 O ATOM 186 CB LYS A 25 2.229 8.308 -1.363 1.00 0.00 C ATOM 187 CG LYS A 25 2.440 8.074 -2.860 1.00 0.00 C ATOM 188 CD LYS A 25 3.181 9.269 -3.464 1.00 0.00 C ATOM 189 CE LYS A 25 2.194 10.141 -4.241 1.00 0.00 C ATOM 190 NZ LYS A 25 2.611 11.569 -4.145 1.00 0.00 N ATOM 0 H LYS A 25 1.637 7.965 1.199 1.00 0.00 H new ATOM 0 HA LYS A 25 0.715 6.772 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.626 9.202 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.187 8.479 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.012 7.160 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.479 7.939 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.656 9.853 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.975 8.922 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.161 9.830 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.188 10.017 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.904 12.169 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.686 11.842 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.534 11.693 -4.608 1.00 0.00 H new ATOM 204 N GLU A 26 2.179 4.768 -1.020 1.00 0.00 N ATOM 205 CA GLU A 26 3.120 3.618 -0.910 1.00 0.00 C ATOM 206 C GLU A 26 3.871 3.451 -2.231 1.00 0.00 C ATOM 207 O GLU A 26 3.427 2.759 -3.126 1.00 0.00 O ATOM 208 CB GLU A 26 2.333 2.343 -0.602 1.00 0.00 C ATOM 209 CG GLU A 26 1.356 2.610 0.544 1.00 0.00 C ATOM 210 CD GLU A 26 -0.080 2.464 0.038 1.00 0.00 C ATOM 211 OE1 GLU A 26 -0.273 2.524 -1.165 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.963 2.294 0.862 1.00 0.00 O ATOM 0 H GLU A 26 1.272 4.549 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 26 3.834 3.804 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.790 2.016 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.016 1.538 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.538 1.911 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.512 3.613 0.942 1.00 0.00 H new ATOM 219 N MET A 27 5.003 4.085 -2.364 1.00 0.00 N ATOM 220 CA MET A 27 5.780 3.971 -3.629 1.00 0.00 C ATOM 221 C MET A 27 6.300 2.536 -3.791 1.00 0.00 C ATOM 222 O MET A 27 6.974 2.021 -2.917 1.00 0.00 O ATOM 223 CB MET A 27 6.967 4.934 -3.577 1.00 0.00 C ATOM 224 CG MET A 27 6.461 6.353 -3.314 1.00 0.00 C ATOM 225 SD MET A 27 6.913 7.422 -4.704 1.00 0.00 S ATOM 226 CE MET A 27 8.086 8.469 -3.810 1.00 0.00 C ATOM 0 H MET A 27 5.424 4.678 -1.649 1.00 0.00 H new ATOM 0 HA MET A 27 5.137 4.219 -4.473 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.660 4.632 -2.792 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.517 4.901 -4.517 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.379 6.346 -3.183 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.891 6.739 -2.390 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.172 9.432 -4.314 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.732 8.623 -2.791 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.062 7.984 -3.786 1.00 0.00 H new ATOM 236 N PRO A 28 5.987 1.931 -4.912 1.00 0.00 N ATOM 237 CA PRO A 28 6.421 0.557 -5.210 1.00 0.00 C ATOM 238 C PRO A 28 7.914 0.547 -5.532 1.00 0.00 C ATOM 239 O PRO A 28 8.537 -0.493 -5.619 1.00 0.00 O ATOM 240 CB PRO A 28 5.577 0.160 -6.425 1.00 0.00 C ATOM 241 CG PRO A 28 5.121 1.481 -7.085 1.00 0.00 C ATOM 242 CD PRO A 28 5.192 2.561 -5.989 1.00 0.00 C ATOM 0 HA PRO A 28 6.285 -0.135 -4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.159 -0.443 -7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.719 -0.441 -6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.765 1.738 -7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.108 1.390 -7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.668 3.470 -6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.198 2.840 -5.640 1.00 0.00 H new ATOM 250 N ASP A 29 8.495 1.704 -5.689 1.00 0.00 N ATOM 251 CA ASP A 29 9.948 1.773 -5.982 1.00 0.00 C ATOM 252 C ASP A 29 10.717 1.782 -4.658 1.00 0.00 C ATOM 253 O ASP A 29 11.892 2.082 -4.622 1.00 0.00 O ATOM 254 CB ASP A 29 10.254 3.054 -6.762 1.00 0.00 C ATOM 255 CG ASP A 29 9.584 4.245 -6.075 1.00 0.00 C ATOM 256 OD1 ASP A 29 10.201 4.819 -5.194 1.00 0.00 O ATOM 257 OD2 ASP A 29 8.465 4.562 -6.443 1.00 0.00 O ATOM 0 H ASP A 29 8.022 2.606 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 29 10.248 0.912 -6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.331 3.211 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.894 2.963 -7.787 1.00 0.00 H new ATOM 262 N LYS A 30 10.046 1.458 -3.576 1.00 0.00 N ATOM 263 CA LYS A 30 10.692 1.433 -2.236 1.00 0.00 C ATOM 264 C LYS A 30 10.672 2.838 -1.638 1.00 0.00 C ATOM 265 O LYS A 30 11.701 3.440 -1.405 1.00 0.00 O ATOM 266 CB LYS A 30 12.129 0.947 -2.358 1.00 0.00 C ATOM 267 CG LYS A 30 12.174 -0.312 -3.226 1.00 0.00 C ATOM 268 CD LYS A 30 13.228 -1.274 -2.674 1.00 0.00 C ATOM 269 CE LYS A 30 12.631 -2.072 -1.514 1.00 0.00 C ATOM 270 NZ LYS A 30 12.882 -3.524 -1.729 1.00 0.00 N ATOM 0 H LYS A 30 9.058 1.206 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 30 10.144 0.752 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.751 1.727 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.537 0.734 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.196 -0.794 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.411 -0.048 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.565 -1.950 -3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.102 -0.718 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.075 -1.751 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.560 -1.884 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.476 -4.067 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.439 -3.825 -2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.907 -3.696 -1.777 1.00 0.00 H new ATOM 284 N THR A 31 9.505 3.364 -1.386 1.00 0.00 N ATOM 285 CA THR A 31 9.417 4.729 -0.804 1.00 0.00 C ATOM 286 C THR A 31 8.024 4.945 -0.208 1.00 0.00 C ATOM 287 O THR A 31 7.149 4.109 -0.325 1.00 0.00 O ATOM 288 CB THR A 31 9.670 5.767 -1.895 1.00 0.00 C ATOM 289 OG1 THR A 31 10.491 5.199 -2.906 1.00 0.00 O ATOM 290 CG2 THR A 31 10.368 6.986 -1.292 1.00 0.00 C ATOM 0 H THR A 31 8.610 2.906 -1.559 1.00 0.00 H new ATOM 0 HA THR A 31 10.167 4.836 -0.020 1.00 0.00 H new ATOM 0 HB THR A 31 8.719 6.076 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.163 5.475 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.548 7.725 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.736 7.421 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.319 6.682 -0.855 1.00 0.00 H new ATOM 298 N PHE A 32 7.813 6.062 0.428 1.00 0.00 N ATOM 299 CA PHE A 32 6.483 6.347 1.035 1.00 0.00 C ATOM 300 C PHE A 32 6.348 7.856 1.239 1.00 0.00 C ATOM 301 O PHE A 32 7.310 8.534 1.542 1.00 0.00 O ATOM 302 CB PHE A 32 6.372 5.636 2.386 1.00 0.00 C ATOM 303 CG PHE A 32 5.496 4.416 2.246 1.00 0.00 C ATOM 304 CD1 PHE A 32 6.050 3.200 1.827 1.00 0.00 C ATOM 305 CD2 PHE A 32 4.129 4.500 2.536 1.00 0.00 C ATOM 306 CE1 PHE A 32 5.237 2.068 1.697 1.00 0.00 C ATOM 307 CE2 PHE A 32 3.316 3.367 2.406 1.00 0.00 C ATOM 308 CZ PHE A 32 3.870 2.152 1.987 1.00 0.00 C ATOM 0 H PHE A 32 8.510 6.796 0.555 1.00 0.00 H new ATOM 0 HA PHE A 32 5.691 5.989 0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.362 5.347 2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.954 6.313 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.105 3.136 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.702 5.438 2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.664 1.130 1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.261 3.431 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.243 1.279 1.887 1.00 0.00 H new ATOM 318 N GLU A 33 5.173 8.394 1.069 1.00 0.00 N ATOM 319 CA GLU A 33 5.005 9.861 1.248 1.00 0.00 C ATOM 320 C GLU A 33 3.640 10.165 1.868 1.00 0.00 C ATOM 321 O GLU A 33 2.611 10.007 1.243 1.00 0.00 O ATOM 322 CB GLU A 33 5.109 10.555 -0.113 1.00 0.00 C ATOM 323 CG GLU A 33 6.283 11.536 -0.098 1.00 0.00 C ATOM 324 CD GLU A 33 6.449 12.156 -1.487 1.00 0.00 C ATOM 325 OE1 GLU A 33 5.446 12.543 -2.065 1.00 0.00 O ATOM 326 OE2 GLU A 33 7.576 12.236 -1.948 1.00 0.00 O ATOM 0 H GLU A 33 4.327 7.884 0.815 1.00 0.00 H new ATOM 0 HA GLU A 33 5.787 10.229 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.250 9.815 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.182 11.084 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.108 12.317 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.198 11.020 0.193 1.00 0.00 H new ATOM 333 N CYS A 34 3.630 10.618 3.093 1.00 0.00 N ATOM 334 CA CYS A 34 2.340 10.956 3.759 1.00 0.00 C ATOM 335 C CYS A 34 1.777 12.220 3.101 1.00 0.00 C ATOM 336 O CYS A 34 2.255 13.314 3.327 1.00 0.00 O ATOM 337 CB CYS A 34 2.607 11.204 5.246 1.00 0.00 C ATOM 338 SG CYS A 34 1.051 11.366 6.157 1.00 0.00 S ATOM 0 H CYS A 34 4.463 10.769 3.662 1.00 0.00 H new ATOM 0 HA CYS A 34 1.621 10.143 3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.191 10.381 5.658 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.202 12.109 5.368 1.00 0.00 H new ATOM 343 N LEU A 35 0.784 12.072 2.267 1.00 0.00 N ATOM 344 CA LEU A 35 0.209 13.256 1.565 1.00 0.00 C ATOM 345 C LEU A 35 -0.612 14.122 2.524 1.00 0.00 C ATOM 346 O LEU A 35 -1.216 15.096 2.118 1.00 0.00 O ATOM 347 CB LEU A 35 -0.690 12.779 0.422 1.00 0.00 C ATOM 348 CG LEU A 35 0.148 12.013 -0.601 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.332 10.563 -0.672 1.00 0.00 C ATOM 350 CD2 LEU A 35 -0.005 12.668 -1.976 1.00 0.00 C ATOM 0 H LEU A 35 0.345 11.180 2.041 1.00 0.00 H new ATOM 0 HA LEU A 35 1.031 13.857 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.482 12.139 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.174 13.632 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 35 1.196 12.034 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.266 10.017 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.225 10.096 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.380 10.541 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.592 12.123 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.053 12.646 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.337 13.702 -1.927 1.00 0.00 H new ATOM 362 N PHE A 36 -0.649 13.797 3.787 1.00 0.00 N ATOM 363 CA PHE A 36 -1.442 14.637 4.729 1.00 0.00 C ATOM 364 C PHE A 36 -0.961 16.089 4.638 1.00 0.00 C ATOM 365 O PHE A 36 0.222 16.338 4.511 1.00 0.00 O ATOM 366 CB PHE A 36 -1.245 14.127 6.153 1.00 0.00 C ATOM 367 CG PHE A 36 -2.003 15.007 7.116 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.433 16.201 7.573 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.268 14.621 7.564 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.131 17.006 8.479 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.967 15.424 8.471 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.398 16.619 8.929 1.00 0.00 C ATOM 0 H PHE A 36 -0.172 12.998 4.204 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.499 14.583 4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.595 13.098 6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.185 14.124 6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.455 16.500 7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.708 13.700 7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.692 17.927 8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.944 15.123 8.818 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.937 17.241 9.629 1.00 0.00 H new ATOM 382 N PRO A 37 -1.891 17.009 4.707 1.00 0.00 N ATOM 383 CA PRO A 37 -1.583 18.447 4.634 1.00 0.00 C ATOM 384 C PRO A 37 -0.978 18.925 5.952 1.00 0.00 C ATOM 385 O PRO A 37 -1.642 19.009 6.964 1.00 0.00 O ATOM 386 CB PRO A 37 -2.942 19.098 4.370 1.00 0.00 C ATOM 387 CG PRO A 37 -4.009 18.089 4.857 1.00 0.00 C ATOM 388 CD PRO A 37 -3.329 16.706 4.872 1.00 0.00 C ATOM 0 HA PRO A 37 -0.853 18.695 3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.030 20.044 4.903 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.069 19.317 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.369 18.355 5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.874 18.089 4.194 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.520 16.178 5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.698 16.072 4.066 1.00 0.00 H new ATOM 396 N GLY A 38 0.288 19.224 5.939 1.00 0.00 N ATOM 397 CA GLY A 38 0.964 19.677 7.182 1.00 0.00 C ATOM 398 C GLY A 38 2.034 18.650 7.537 1.00 0.00 C ATOM 399 O GLY A 38 2.975 18.933 8.254 1.00 0.00 O ATOM 0 H GLY A 38 0.887 19.174 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.412 20.660 7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.244 19.773 7.994 1.00 0.00 H new ATOM 403 N CYS A 39 1.896 17.454 7.030 1.00 0.00 N ATOM 404 CA CYS A 39 2.902 16.395 7.322 1.00 0.00 C ATOM 405 C CYS A 39 4.216 16.727 6.612 1.00 0.00 C ATOM 406 O CYS A 39 4.257 17.538 5.708 1.00 0.00 O ATOM 407 CB CYS A 39 2.386 15.052 6.812 1.00 0.00 C ATOM 408 SG CYS A 39 3.445 13.722 7.431 1.00 0.00 S ATOM 0 H CYS A 39 1.127 17.165 6.425 1.00 0.00 H new ATOM 0 HA CYS A 39 3.069 16.343 8.398 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.359 14.896 7.142 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.375 15.045 5.722 1.00 0.00 H new ATOM 413 N THR A 40 5.289 16.100 7.008 1.00 0.00 N ATOM 414 CA THR A 40 6.597 16.373 6.351 1.00 0.00 C ATOM 415 C THR A 40 7.546 15.198 6.601 1.00 0.00 C ATOM 416 O THR A 40 8.730 15.377 6.802 1.00 0.00 O ATOM 417 CB THR A 40 7.203 17.653 6.930 1.00 0.00 C ATOM 418 OG1 THR A 40 6.204 18.364 7.650 1.00 0.00 O ATOM 419 CG2 THR A 40 7.736 18.527 5.794 1.00 0.00 C ATOM 0 H THR A 40 5.316 15.410 7.759 1.00 0.00 H new ATOM 0 HA THR A 40 6.447 16.498 5.279 1.00 0.00 H new ATOM 0 HB THR A 40 8.022 17.396 7.602 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.591 19.184 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.167 19.438 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.502 17.981 5.243 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.919 18.786 5.120 1.00 0.00 H new ATOM 427 N LYS A 41 7.033 13.997 6.592 1.00 0.00 N ATOM 428 CA LYS A 41 7.907 12.813 6.832 1.00 0.00 C ATOM 429 C LYS A 41 7.695 11.781 5.721 1.00 0.00 C ATOM 430 O LYS A 41 6.586 11.534 5.292 1.00 0.00 O ATOM 431 CB LYS A 41 7.553 12.186 8.183 1.00 0.00 C ATOM 432 CG LYS A 41 8.825 11.660 8.852 1.00 0.00 C ATOM 433 CD LYS A 41 8.970 12.290 10.238 1.00 0.00 C ATOM 434 CE LYS A 41 7.741 11.953 11.084 1.00 0.00 C ATOM 435 NZ LYS A 41 7.737 12.798 12.312 1.00 0.00 N ATOM 0 H LYS A 41 6.049 13.785 6.429 1.00 0.00 H new ATOM 0 HA LYS A 41 8.950 13.129 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.072 12.925 8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.841 11.373 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.782 10.574 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.695 11.897 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.872 11.919 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.077 13.371 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.832 12.125 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.751 10.897 11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.902 12.570 12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.599 12.613 12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.708 13.802 12.042 1.00 0.00 H new ATOM 449 N THR A 42 8.754 11.171 5.257 1.00 0.00 N ATOM 450 CA THR A 42 8.617 10.150 4.178 1.00 0.00 C ATOM 451 C THR A 42 9.281 8.846 4.628 1.00 0.00 C ATOM 452 O THR A 42 10.241 8.856 5.371 1.00 0.00 O ATOM 453 CB THR A 42 9.295 10.654 2.904 1.00 0.00 C ATOM 454 OG1 THR A 42 10.690 10.390 2.975 1.00 0.00 O ATOM 455 CG2 THR A 42 9.065 12.159 2.760 1.00 0.00 C ATOM 0 H THR A 42 9.708 11.336 5.579 1.00 0.00 H new ATOM 0 HA THR A 42 7.560 9.973 3.978 1.00 0.00 H new ATOM 0 HB THR A 42 8.871 10.141 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.126 10.711 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.549 12.516 1.851 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.995 12.360 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.486 12.676 3.622 1.00 0.00 H new ATOM 463 N PHE A 43 8.776 7.725 4.191 1.00 0.00 N ATOM 464 CA PHE A 43 9.382 6.427 4.607 1.00 0.00 C ATOM 465 C PHE A 43 9.584 5.536 3.379 1.00 0.00 C ATOM 466 O PHE A 43 9.572 5.998 2.255 1.00 0.00 O ATOM 467 CB PHE A 43 8.451 5.723 5.600 1.00 0.00 C ATOM 468 CG PHE A 43 7.673 6.753 6.390 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.659 7.495 5.769 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.970 6.969 7.742 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.944 8.452 6.500 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.253 7.925 8.472 1.00 0.00 C ATOM 473 CZ PHE A 43 6.240 8.667 7.851 1.00 0.00 C ATOM 0 H PHE A 43 7.973 7.651 3.566 1.00 0.00 H new ATOM 0 HA PHE A 43 10.346 6.614 5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.765 5.066 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.032 5.096 6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.429 7.329 4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.752 6.398 8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.164 9.025 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.481 8.090 9.515 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.688 9.405 8.414 1.00 0.00 H new ATOM 483 N LYS A 44 9.768 4.259 3.584 1.00 0.00 N ATOM 484 CA LYS A 44 9.970 3.338 2.429 1.00 0.00 C ATOM 485 C LYS A 44 9.012 2.151 2.547 1.00 0.00 C ATOM 486 O LYS A 44 8.068 2.176 3.313 1.00 0.00 O ATOM 487 CB LYS A 44 11.413 2.828 2.428 1.00 0.00 C ATOM 488 CG LYS A 44 12.376 4.009 2.569 1.00 0.00 C ATOM 489 CD LYS A 44 13.266 4.094 1.328 1.00 0.00 C ATOM 490 CE LYS A 44 14.554 4.844 1.674 1.00 0.00 C ATOM 491 NZ LYS A 44 15.394 4.981 0.451 1.00 0.00 N ATOM 0 H LYS A 44 9.787 3.814 4.502 1.00 0.00 H new ATOM 0 HA LYS A 44 9.772 3.874 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.561 2.125 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.618 2.288 1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.816 4.936 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.990 3.887 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.501 3.093 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.739 4.607 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.317 5.829 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.104 4.307 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.269 5.491 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.631 4.037 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.869 5.511 -0.273 1.00 0.00 H new ATOM 505 N ARG A 45 9.245 1.111 1.794 1.00 0.00 N ATOM 506 CA ARG A 45 8.347 -0.077 1.864 1.00 0.00 C ATOM 507 C ARG A 45 8.175 -0.502 3.323 1.00 0.00 C ATOM 508 O ARG A 45 8.979 -1.233 3.866 1.00 0.00 O ATOM 509 CB ARG A 45 8.962 -1.231 1.068 1.00 0.00 C ATOM 510 CG ARG A 45 7.847 -2.107 0.491 1.00 0.00 C ATOM 511 CD ARG A 45 8.386 -2.901 -0.700 1.00 0.00 C ATOM 512 NE ARG A 45 7.811 -4.277 -0.680 1.00 0.00 N ATOM 513 CZ ARG A 45 8.310 -5.205 -1.452 1.00 0.00 C ATOM 514 NH1 ARG A 45 8.150 -5.135 -2.745 1.00 0.00 N ATOM 515 NH2 ARG A 45 8.969 -6.203 -0.929 1.00 0.00 N ATOM 0 H ARG A 45 10.018 1.032 1.133 1.00 0.00 H new ATOM 0 HA ARG A 45 7.375 0.179 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.585 -0.840 0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.610 -1.826 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.472 -2.788 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.008 -1.486 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.126 -2.400 -1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.474 -2.949 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 45 7.028 -4.493 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.635 -4.355 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.540 -5.860 -3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.094 -6.258 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.359 -6.928 -1.531 1.00 0.00 H new ATOM 529 N ARG A 46 7.131 -0.050 3.964 1.00 0.00 N ATOM 530 CA ARG A 46 6.909 -0.430 5.387 1.00 0.00 C ATOM 531 C ARG A 46 5.480 -0.066 5.795 1.00 0.00 C ATOM 532 O ARG A 46 4.905 0.884 5.300 1.00 0.00 O ATOM 533 CB ARG A 46 7.901 0.319 6.279 1.00 0.00 C ATOM 534 CG ARG A 46 8.983 -0.648 6.763 1.00 0.00 C ATOM 535 CD ARG A 46 9.713 -0.041 7.962 1.00 0.00 C ATOM 536 NE ARG A 46 10.573 1.086 7.501 1.00 0.00 N ATOM 537 CZ ARG A 46 11.858 0.909 7.356 1.00 0.00 C ATOM 538 NH1 ARG A 46 12.303 0.039 6.491 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.698 1.603 8.075 1.00 0.00 N ATOM 0 H ARG A 46 6.423 0.566 3.563 1.00 0.00 H new ATOM 0 HA ARG A 46 7.058 -1.504 5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.354 1.142 5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.381 0.756 7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.535 -1.602 7.042 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.690 -0.851 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.992 0.315 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.322 -0.800 8.453 1.00 0.00 H new ATOM 0 HE ARG A 46 10.157 1.995 7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.647 -0.502 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.307 -0.100 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.350 2.284 8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.702 1.464 7.962 1.00 0.00 H new ATOM 553 N TYR A 47 4.905 -0.812 6.697 1.00 0.00 N ATOM 554 CA TYR A 47 3.514 -0.509 7.140 1.00 0.00 C ATOM 555 C TYR A 47 3.577 0.149 8.509 1.00 0.00 C ATOM 556 O TYR A 47 2.712 -0.045 9.340 1.00 0.00 O ATOM 557 CB TYR A 47 2.690 -1.797 7.271 1.00 0.00 C ATOM 558 CG TYR A 47 3.549 -3.000 6.974 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.693 -3.445 5.659 1.00 0.00 C ATOM 560 CD2 TYR A 47 4.201 -3.664 8.020 1.00 0.00 C ATOM 561 CE1 TYR A 47 4.492 -4.561 5.382 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.999 -4.781 7.746 1.00 0.00 C ATOM 563 CZ TYR A 47 5.145 -5.230 6.426 1.00 0.00 C ATOM 564 OH TYR A 47 5.932 -6.330 6.155 1.00 0.00 O ATOM 0 H TYR A 47 5.338 -1.619 7.147 1.00 0.00 H new ATOM 0 HA TYR A 47 3.046 0.143 6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.280 -1.874 8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.844 -1.767 6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.188 -2.929 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.089 -3.315 9.036 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.605 -4.906 4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.502 -5.296 8.551 1.00 0.00 H new ATOM 0 HH TYR A 47 6.312 -6.674 6.990 1.00 0.00 H new ATOM 574 N ASN A 48 4.595 0.915 8.762 1.00 0.00 N ATOM 575 CA ASN A 48 4.699 1.561 10.087 1.00 0.00 C ATOM 576 C ASN A 48 4.329 3.035 9.949 1.00 0.00 C ATOM 577 O ASN A 48 3.903 3.678 10.893 1.00 0.00 O ATOM 578 CB ASN A 48 6.131 1.434 10.612 1.00 0.00 C ATOM 579 CG ASN A 48 6.309 0.072 11.285 1.00 0.00 C ATOM 580 OD1 ASN A 48 6.302 -0.026 12.496 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.471 -0.992 10.546 1.00 0.00 N ATOM 0 H ASN A 48 5.354 1.119 8.112 1.00 0.00 H new ATOM 0 HA ASN A 48 4.021 1.075 10.789 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.841 1.542 9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.341 2.233 11.323 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.592 -1.905 10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.477 -0.911 9.529 1.00 0.00 H new ATOM 588 N ILE A 49 4.473 3.572 8.772 1.00 0.00 N ATOM 589 CA ILE A 49 4.117 5.004 8.569 1.00 0.00 C ATOM 590 C ILE A 49 2.592 5.125 8.618 1.00 0.00 C ATOM 591 O ILE A 49 2.052 6.096 9.105 1.00 0.00 O ATOM 592 CB ILE A 49 4.688 5.545 7.227 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.565 5.906 6.244 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.601 4.511 6.565 1.00 0.00 C ATOM 595 CD1 ILE A 49 2.918 4.630 5.710 1.00 0.00 C ATOM 0 H ILE A 49 4.820 3.086 7.945 1.00 0.00 H new ATOM 0 HA ILE A 49 4.560 5.611 9.358 1.00 0.00 H new ATOM 0 HB ILE A 49 5.259 6.442 7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.817 6.523 6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.966 6.495 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.987 4.913 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.432 4.280 7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.035 3.602 6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.122 4.890 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.668 4.029 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.502 4.059 6.540 1.00 0.00 H new ATOM 607 N ARG A 50 1.895 4.135 8.130 1.00 0.00 N ATOM 608 CA ARG A 50 0.409 4.193 8.169 1.00 0.00 C ATOM 609 C ARG A 50 -0.021 4.513 9.597 1.00 0.00 C ATOM 610 O ARG A 50 -0.868 5.354 9.830 1.00 0.00 O ATOM 611 CB ARG A 50 -0.172 2.843 7.743 1.00 0.00 C ATOM 612 CG ARG A 50 0.582 1.715 8.451 1.00 0.00 C ATOM 613 CD ARG A 50 -0.278 1.159 9.586 1.00 0.00 C ATOM 614 NE ARG A 50 -0.967 -0.078 9.125 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.429 -0.931 9.998 1.00 0.00 C ATOM 616 NH1 ARG A 50 -0.720 -1.234 11.051 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.598 -1.481 9.816 1.00 0.00 N ATOM 0 H ARG A 50 2.289 3.294 7.709 1.00 0.00 H new ATOM 0 HA ARG A 50 0.045 4.961 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.232 2.797 7.991 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.092 2.726 6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.823 0.923 7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.527 2.087 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.344 0.940 10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.012 1.902 9.899 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.078 -0.259 8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.194 -0.804 11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.080 -1.901 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.150 -1.244 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.960 -2.148 10.498 1.00 0.00 H new ATOM 631 N SER A 51 0.572 3.862 10.562 1.00 0.00 N ATOM 632 CA SER A 51 0.213 4.147 11.976 1.00 0.00 C ATOM 633 C SER A 51 0.628 5.580 12.299 1.00 0.00 C ATOM 634 O SER A 51 -0.079 6.309 12.966 1.00 0.00 O ATOM 635 CB SER A 51 0.949 3.177 12.901 1.00 0.00 C ATOM 636 OG SER A 51 0.897 3.668 14.234 1.00 0.00 O ATOM 0 H SER A 51 1.288 3.147 10.430 1.00 0.00 H new ATOM 0 HA SER A 51 -0.860 4.025 12.121 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.493 2.188 12.847 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.985 3.068 12.582 1.00 0.00 H new ATOM 0 HG SER A 51 1.367 3.048 14.830 1.00 0.00 H new ATOM 642 N HIS A 52 1.769 5.990 11.817 1.00 0.00 N ATOM 643 CA HIS A 52 2.230 7.383 12.081 1.00 0.00 C ATOM 644 C HIS A 52 1.105 8.345 11.710 1.00 0.00 C ATOM 645 O HIS A 52 0.836 9.305 12.406 1.00 0.00 O ATOM 646 CB HIS A 52 3.508 7.662 11.247 1.00 0.00 C ATOM 647 CG HIS A 52 3.439 9.014 10.568 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.323 10.039 10.865 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.569 9.530 9.637 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.962 11.111 10.133 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.895 10.853 9.368 1.00 0.00 N ATOM 0 H HIS A 52 2.401 5.422 11.253 1.00 0.00 H new ATOM 0 HA HIS A 52 2.475 7.519 13.134 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.383 7.623 11.895 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.632 6.882 10.496 1.00 0.00 H new ATOM 0 HD1 HIS A 52 5.105 9.991 11.519 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.753 8.987 9.182 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.472 12.063 10.160 1.00 0.00 H new ATOM 659 N ILE A 53 0.443 8.092 10.622 1.00 0.00 N ATOM 660 CA ILE A 53 -0.665 8.986 10.212 1.00 0.00 C ATOM 661 C ILE A 53 -1.789 8.851 11.228 1.00 0.00 C ATOM 662 O ILE A 53 -2.141 9.792 11.908 1.00 0.00 O ATOM 663 CB ILE A 53 -1.176 8.558 8.830 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.040 8.622 7.808 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.300 9.490 8.390 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.588 8.316 6.412 1.00 0.00 C ATOM 0 H ILE A 53 0.622 7.304 9.999 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.320 10.019 10.165 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.548 7.535 8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.419 9.610 7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.739 7.905 8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.662 9.185 7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.117 9.440 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.925 10.512 8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.223 8.362 5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.027 7.318 6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.351 9.050 6.152 1.00 0.00 H new ATOM 678 N GLN A 54 -2.346 7.680 11.337 1.00 0.00 N ATOM 679 CA GLN A 54 -3.452 7.459 12.307 1.00 0.00 C ATOM 680 C GLN A 54 -3.151 8.191 13.610 1.00 0.00 C ATOM 681 O GLN A 54 -4.050 8.594 14.321 1.00 0.00 O ATOM 682 CB GLN A 54 -3.603 5.961 12.581 1.00 0.00 C ATOM 683 CG GLN A 54 -5.082 5.576 12.507 1.00 0.00 C ATOM 684 CD GLN A 54 -5.251 4.366 11.587 1.00 0.00 C ATOM 685 OE1 GLN A 54 -6.015 3.468 11.879 1.00 0.00 O ATOM 686 NE2 GLN A 54 -4.568 4.306 10.477 1.00 0.00 N ATOM 0 H GLN A 54 -2.081 6.860 10.792 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.380 7.845 11.886 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.030 5.388 11.852 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.202 5.718 13.565 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.458 5.344 13.503 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.668 6.415 12.133 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.926 5.060 10.232 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.676 3.505 9.855 1.00 0.00 H new ATOM 695 N THR A 55 -1.903 8.382 13.934 1.00 0.00 N ATOM 696 CA THR A 55 -1.596 9.105 15.193 1.00 0.00 C ATOM 697 C THR A 55 -1.762 10.600 14.954 1.00 0.00 C ATOM 698 O THR A 55 -2.403 11.295 15.716 1.00 0.00 O ATOM 699 CB THR A 55 -0.163 8.802 15.635 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.083 7.457 16.087 1.00 0.00 O ATOM 701 CG2 THR A 55 0.232 9.748 16.771 1.00 0.00 C ATOM 0 H THR A 55 -1.097 8.074 13.391 1.00 0.00 H new ATOM 0 HA THR A 55 -2.277 8.780 15.979 1.00 0.00 H new ATOM 0 HB THR A 55 0.515 8.944 14.794 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.835 7.261 16.369 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.253 9.532 17.086 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.170 10.779 16.424 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.445 9.607 17.614 1.00 0.00 H new ATOM 709 N HIS A 56 -1.196 11.101 13.896 1.00 0.00 N ATOM 710 CA HIS A 56 -1.331 12.542 13.605 1.00 0.00 C ATOM 711 C HIS A 56 -2.464 12.746 12.603 1.00 0.00 C ATOM 712 O HIS A 56 -2.546 13.745 11.917 1.00 0.00 O ATOM 713 CB HIS A 56 0.018 13.071 13.112 1.00 0.00 C ATOM 714 CG HIS A 56 0.117 13.196 11.615 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.388 14.283 10.918 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.830 12.471 10.705 1.00 0.00 C ATOM 717 CE1 HIS A 56 0.064 14.188 9.649 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.813 13.097 9.469 1.00 0.00 N ATOM 0 H HIS A 56 -0.645 10.570 13.221 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.594 13.109 14.498 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.199 14.048 13.561 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.808 12.407 13.464 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.989 15.017 11.293 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.336 11.541 10.918 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.154 14.907 8.873 1.00 0.00 H new ATOM 726 N LEU A 57 -3.361 11.795 12.554 1.00 0.00 N ATOM 727 CA LEU A 57 -4.532 11.895 11.644 1.00 0.00 C ATOM 728 C LEU A 57 -5.765 11.270 12.318 1.00 0.00 C ATOM 729 O LEU A 57 -6.866 11.371 11.813 1.00 0.00 O ATOM 730 CB LEU A 57 -4.248 11.163 10.333 1.00 0.00 C ATOM 731 CG LEU A 57 -3.938 12.183 9.241 1.00 0.00 C ATOM 732 CD1 LEU A 57 -2.488 12.653 9.380 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.139 11.532 7.871 1.00 0.00 C ATOM 0 H LEU A 57 -3.328 10.944 13.115 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.722 12.947 11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.407 10.481 10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.109 10.558 10.047 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.605 13.040 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.265 13.382 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.347 13.113 10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.818 11.799 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.919 12.257 7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.470 10.677 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.172 11.197 7.775 1.00 0.00 H new ATOM 745 N GLU A 58 -5.602 10.620 13.452 1.00 0.00 N ATOM 746 CA GLU A 58 -6.776 10.002 14.130 1.00 0.00 C ATOM 747 C GLU A 58 -7.960 10.971 14.093 1.00 0.00 C ATOM 748 O GLU A 58 -8.994 10.679 13.527 1.00 0.00 O ATOM 749 CB GLU A 58 -6.418 9.692 15.586 1.00 0.00 C ATOM 750 CG GLU A 58 -7.062 8.367 16.001 1.00 0.00 C ATOM 751 CD GLU A 58 -6.521 7.943 17.368 1.00 0.00 C ATOM 752 OE1 GLU A 58 -5.333 8.108 17.590 1.00 0.00 O ATOM 753 OE2 GLU A 58 -7.305 7.461 18.168 1.00 0.00 O ATOM 0 H GLU A 58 -4.709 10.495 13.929 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.047 9.080 13.616 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.336 9.634 15.701 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.765 10.496 16.236 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.146 8.475 16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.848 7.598 15.259 1.00 0.00 H new ATOM 760 N ASP A 59 -7.815 12.123 14.688 1.00 0.00 N ATOM 761 CA ASP A 59 -8.931 13.109 14.683 1.00 0.00 C ATOM 762 C ASP A 59 -10.248 12.392 14.987 1.00 0.00 C ATOM 763 O ASP A 59 -11.228 12.549 14.286 1.00 0.00 O ATOM 764 CB ASP A 59 -9.019 13.774 13.307 1.00 0.00 C ATOM 765 CG ASP A 59 -9.637 15.166 13.449 1.00 0.00 C ATOM 766 OD1 ASP A 59 -8.916 16.076 13.826 1.00 0.00 O ATOM 767 OD2 ASP A 59 -10.819 15.299 13.179 1.00 0.00 O ATOM 0 H ASP A 59 -6.972 12.424 15.177 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.747 13.868 15.443 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.026 13.849 12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.622 13.164 12.635 1.00 0.00 H new ATOM 772 N ARG A 60 -10.280 11.605 16.028 1.00 0.00 N ATOM 773 CA ARG A 60 -11.533 10.879 16.374 1.00 0.00 C ATOM 774 C ARG A 60 -12.073 10.170 15.131 1.00 0.00 C ATOM 775 O ARG A 60 -11.267 9.689 14.351 1.00 0.00 O ATOM 776 CB ARG A 60 -12.576 11.877 16.884 1.00 0.00 C ATOM 777 CG ARG A 60 -13.049 11.457 18.277 1.00 0.00 C ATOM 778 CD ARG A 60 -14.497 10.970 18.198 1.00 0.00 C ATOM 779 NE ARG A 60 -14.538 9.496 18.414 1.00 0.00 N ATOM 780 CZ ARG A 60 -15.354 8.757 17.713 1.00 0.00 C ATOM 781 NH1 ARG A 60 -16.591 8.607 18.096 1.00 0.00 N ATOM 782 NH2 ARG A 60 -14.931 8.168 16.627 1.00 0.00 N ATOM 783 OXT ARG A 60 -13.282 10.119 14.979 1.00 0.00 O ATOM 0 H ARG A 60 -9.492 11.434 16.653 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.323 10.143 17.150 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.148 12.879 16.921 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.422 11.917 16.198 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.409 10.666 18.667 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.974 12.297 18.967 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.103 11.475 18.950 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.923 11.218 17.226 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.929 9.065 19.109 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.922 9.067 18.944 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.228 8.029 17.548 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.963 8.286 16.327 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.568 7.590 16.079 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.950 12.133 8.137 1.00 0.00 ZN