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 31:sc= 0.0232 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0021 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -149:sc= -0.537 (180deg=-1.45!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 79:sc= 0.326 USER MOD Single : A 40 THR OG1 : rot 86:sc= 0.779 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= -0.146 X(o=-0.15,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.92! K(o=-3.9!,f=-0.9) USER MOD Single : A 55 THR OG1 : rot 82:sc= 0.309 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -11.809 -0.890 8.222 1.00 0.00 N ATOM 2 CA THR A 14 -12.429 -1.888 7.305 1.00 0.00 C ATOM 3 C THR A 14 -13.401 -1.178 6.360 1.00 0.00 C ATOM 4 O THR A 14 -13.080 -0.896 5.223 1.00 0.00 O ATOM 5 CB THR A 14 -13.191 -2.931 8.128 1.00 0.00 C ATOM 6 OG1 THR A 14 -12.267 -3.706 8.879 1.00 0.00 O ATOM 7 CG2 THR A 14 -13.982 -3.843 7.190 1.00 0.00 C ATOM 0 HA THR A 14 -11.650 -2.380 6.723 1.00 0.00 H new ATOM 0 HB THR A 14 -13.879 -2.428 8.807 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.487 -3.157 9.105 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.524 -4.585 7.776 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.690 -3.247 6.615 1.00 0.00 H new ATOM 0 HG23 THR A 14 -13.296 -4.348 6.510 1.00 0.00 H new ATOM 17 N LEU A 15 -14.586 -0.887 6.822 1.00 0.00 N ATOM 18 CA LEU A 15 -15.577 -0.197 5.950 1.00 0.00 C ATOM 19 C LEU A 15 -15.057 1.190 5.575 1.00 0.00 C ATOM 20 O LEU A 15 -15.021 1.541 4.413 1.00 0.00 O ATOM 21 CB LEU A 15 -16.910 -0.063 6.691 1.00 0.00 C ATOM 22 CG LEU A 15 -18.038 -0.618 5.820 1.00 0.00 C ATOM 23 CD1 LEU A 15 -19.375 -0.447 6.543 1.00 0.00 C ATOM 24 CD2 LEU A 15 -18.078 0.144 4.493 1.00 0.00 C ATOM 0 H LEU A 15 -14.911 -1.097 7.766 1.00 0.00 H new ATOM 0 HA LEU A 15 -15.726 -0.783 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.868 -0.603 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.102 0.983 6.929 1.00 0.00 H new ATOM 0 HG LEU A 15 -17.861 -1.676 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -20.178 -0.843 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -19.349 -0.987 7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.552 0.611 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.882 -0.250 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.255 1.202 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.126 0.024 3.976 1.00 0.00 H new ATOM 36 N PRO A 16 -14.677 1.942 6.570 1.00 0.00 N ATOM 37 CA PRO A 16 -14.159 3.303 6.371 1.00 0.00 C ATOM 38 C PRO A 16 -12.695 3.262 5.926 1.00 0.00 C ATOM 39 O PRO A 16 -11.888 2.538 6.475 1.00 0.00 O ATOM 40 CB PRO A 16 -14.293 3.936 7.753 1.00 0.00 C ATOM 41 CG PRO A 16 -14.327 2.772 8.771 1.00 0.00 C ATOM 42 CD PRO A 16 -14.726 1.513 7.984 1.00 0.00 C ATOM 0 HA PRO A 16 -14.691 3.857 5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.456 4.604 7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.202 4.535 7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.353 2.642 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -15.043 2.974 9.567 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.039 0.689 8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.722 1.168 8.262 1.00 0.00 H new ATOM 50 N ARG A 17 -12.345 4.034 4.933 1.00 0.00 N ATOM 51 CA ARG A 17 -10.935 4.040 4.454 1.00 0.00 C ATOM 52 C ARG A 17 -10.706 5.259 3.559 1.00 0.00 C ATOM 53 O ARG A 17 -10.183 5.152 2.467 1.00 0.00 O ATOM 54 CB ARG A 17 -10.660 2.764 3.656 1.00 0.00 C ATOM 55 CG ARG A 17 -11.755 2.573 2.605 1.00 0.00 C ATOM 56 CD ARG A 17 -11.171 2.811 1.212 1.00 0.00 C ATOM 57 NE ARG A 17 -11.906 3.923 0.548 1.00 0.00 N ATOM 58 CZ ARG A 17 -12.969 3.669 -0.166 1.00 0.00 C ATOM 59 NH1 ARG A 17 -13.939 2.958 0.339 1.00 0.00 N ATOM 60 NH2 ARG A 17 -13.061 4.126 -1.385 1.00 0.00 N ATOM 0 H ARG A 17 -12.976 4.661 4.433 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.262 4.085 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.685 2.828 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.629 1.904 4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.166 1.566 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.576 3.265 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.111 3.055 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.247 1.903 0.614 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.579 4.884 0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.867 2.601 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.770 2.759 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.302 4.682 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.892 3.927 -1.943 1.00 0.00 H new ATOM 74 N GLY A 18 -11.091 6.421 4.013 1.00 0.00 N ATOM 75 CA GLY A 18 -10.895 7.646 3.188 1.00 0.00 C ATOM 76 C GLY A 18 -10.014 8.640 3.948 1.00 0.00 C ATOM 77 O GLY A 18 -10.002 9.820 3.659 1.00 0.00 O ATOM 0 H GLY A 18 -11.533 6.574 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.430 7.386 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.859 8.100 2.958 1.00 0.00 H new ATOM 81 N SER A 19 -9.277 8.174 4.919 1.00 0.00 N ATOM 82 CA SER A 19 -8.401 9.091 5.694 1.00 0.00 C ATOM 83 C SER A 19 -6.951 8.612 5.605 1.00 0.00 C ATOM 84 O SER A 19 -6.051 9.376 5.318 1.00 0.00 O ATOM 85 CB SER A 19 -8.845 9.107 7.158 1.00 0.00 C ATOM 86 OG SER A 19 -9.045 7.771 7.603 1.00 0.00 O ATOM 0 H SER A 19 -9.245 7.196 5.208 1.00 0.00 H new ATOM 0 HA SER A 19 -8.476 10.097 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.091 9.598 7.773 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.766 9.680 7.264 1.00 0.00 H new ATOM 0 HG SER A 19 -9.328 7.778 8.541 1.00 0.00 H new ATOM 92 N ILE A 20 -6.720 7.354 5.848 1.00 0.00 N ATOM 93 CA ILE A 20 -5.330 6.822 5.777 1.00 0.00 C ATOM 94 C ILE A 20 -4.978 6.515 4.323 1.00 0.00 C ATOM 95 O ILE A 20 -3.961 6.944 3.813 1.00 0.00 O ATOM 96 CB ILE A 20 -5.231 5.542 6.606 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.148 5.653 7.827 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.787 5.342 7.070 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.919 7.001 8.515 1.00 0.00 C ATOM 0 H ILE A 20 -7.434 6.669 6.093 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.636 7.564 6.171 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.537 4.691 5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.190 5.560 7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.946 4.838 8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.718 4.429 7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.133 5.262 6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.479 6.192 7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.571 7.081 9.385 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.879 7.075 8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.143 7.808 7.818 1.00 0.00 H new ATOM 111 N ASP A 21 -5.813 5.775 3.652 1.00 0.00 N ATOM 112 CA ASP A 21 -5.534 5.434 2.229 1.00 0.00 C ATOM 113 C ASP A 21 -5.707 6.683 1.362 1.00 0.00 C ATOM 114 O ASP A 21 -5.374 6.691 0.194 1.00 0.00 O ATOM 115 CB ASP A 21 -6.507 4.349 1.763 1.00 0.00 C ATOM 116 CG ASP A 21 -6.049 2.989 2.292 1.00 0.00 C ATOM 117 OD1 ASP A 21 -4.858 2.726 2.243 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.896 2.232 2.739 1.00 0.00 O ATOM 0 H ASP A 21 -6.680 5.390 4.028 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.512 5.067 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.513 4.570 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.553 4.331 0.674 1.00 0.00 H new ATOM 123 N LYS A 22 -6.226 7.740 1.925 1.00 0.00 N ATOM 124 CA LYS A 22 -6.419 8.987 1.133 1.00 0.00 C ATOM 125 C LYS A 22 -5.233 9.928 1.364 1.00 0.00 C ATOM 126 O LYS A 22 -5.222 11.052 0.904 1.00 0.00 O ATOM 127 CB LYS A 22 -7.713 9.675 1.574 1.00 0.00 C ATOM 128 CG LYS A 22 -7.977 10.892 0.684 1.00 0.00 C ATOM 129 CD LYS A 22 -9.363 11.461 0.992 1.00 0.00 C ATOM 130 CE LYS A 22 -9.377 12.960 0.689 1.00 0.00 C ATOM 131 NZ LYS A 22 -10.316 13.649 1.621 1.00 0.00 N ATOM 0 H LYS A 22 -6.524 7.794 2.899 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.483 8.739 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.548 8.977 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.635 9.984 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.215 11.652 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.915 10.608 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.118 10.951 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.615 11.288 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.374 13.373 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.683 13.130 -0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.325 14.668 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.274 13.262 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.005 13.497 2.602 1.00 0.00 H new ATOM 145 N TYR A 23 -4.233 9.479 2.073 1.00 0.00 N ATOM 146 CA TYR A 23 -3.053 10.355 2.326 1.00 0.00 C ATOM 147 C TYR A 23 -1.788 9.499 2.404 1.00 0.00 C ATOM 148 O TYR A 23 -0.788 9.902 2.965 1.00 0.00 O ATOM 149 CB TYR A 23 -3.249 11.105 3.645 1.00 0.00 C ATOM 150 CG TYR A 23 -4.100 12.327 3.400 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.779 13.204 2.358 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.213 12.581 4.211 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.569 14.335 2.127 1.00 0.00 C ATOM 154 CE2 TYR A 23 -6.003 13.712 3.980 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.682 14.589 2.937 1.00 0.00 C ATOM 156 OH TYR A 23 -6.462 15.706 2.709 1.00 0.00 O ATOM 0 H TYR A 23 -4.182 8.548 2.486 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.952 11.074 1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.727 10.456 4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.283 11.397 4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.921 13.008 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.461 11.904 5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.320 15.012 1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.861 13.909 4.606 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.194 15.732 3.360 1.00 0.00 H new ATOM 166 N VAL A 24 -1.824 8.322 1.842 1.00 0.00 N ATOM 167 CA VAL A 24 -0.624 7.441 1.882 1.00 0.00 C ATOM 168 C VAL A 24 -0.121 7.199 0.456 1.00 0.00 C ATOM 169 O VAL A 24 -0.821 6.656 -0.375 1.00 0.00 O ATOM 170 CB VAL A 24 -0.994 6.102 2.521 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.144 5.102 2.310 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.223 6.301 4.022 1.00 0.00 C ATOM 0 H VAL A 24 -2.633 7.933 1.357 1.00 0.00 H new ATOM 0 HA VAL A 24 0.158 7.922 2.469 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.904 5.719 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.121 4.148 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.310 4.960 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.055 5.484 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.487 5.347 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.312 6.684 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.034 7.013 4.175 1.00 0.00 H new ATOM 182 N LYS A 25 1.089 7.595 0.168 1.00 0.00 N ATOM 183 CA LYS A 25 1.633 7.383 -1.202 1.00 0.00 C ATOM 184 C LYS A 25 2.652 6.243 -1.170 1.00 0.00 C ATOM 185 O LYS A 25 3.844 6.465 -1.089 1.00 0.00 O ATOM 186 CB LYS A 25 2.314 8.665 -1.688 1.00 0.00 C ATOM 187 CG LYS A 25 1.973 8.896 -3.161 1.00 0.00 C ATOM 188 CD LYS A 25 2.383 10.314 -3.564 1.00 0.00 C ATOM 189 CE LYS A 25 3.022 10.287 -4.955 1.00 0.00 C ATOM 190 NZ LYS A 25 4.213 11.182 -4.972 1.00 0.00 N ATOM 0 H LYS A 25 1.723 8.055 0.821 1.00 0.00 H new ATOM 0 HA LYS A 25 0.820 7.127 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.984 9.514 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.394 8.586 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.490 8.166 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.905 8.755 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.512 10.969 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.086 10.721 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.315 9.269 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.300 10.610 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.647 11.164 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.920 12.154 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.904 10.854 -4.267 1.00 0.00 H new ATOM 204 N GLU A 26 2.191 5.025 -1.231 1.00 0.00 N ATOM 205 CA GLU A 26 3.131 3.870 -1.204 1.00 0.00 C ATOM 206 C GLU A 26 3.826 3.746 -2.561 1.00 0.00 C ATOM 207 O GLU A 26 3.198 3.819 -3.598 1.00 0.00 O ATOM 208 CB GLU A 26 2.353 2.586 -0.908 1.00 0.00 C ATOM 209 CG GLU A 26 1.498 2.216 -2.121 1.00 0.00 C ATOM 210 CD GLU A 26 0.749 0.911 -1.840 1.00 0.00 C ATOM 211 OE1 GLU A 26 1.243 0.129 -1.045 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.305 0.718 -2.424 1.00 0.00 O ATOM 0 H GLU A 26 1.203 4.779 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 26 3.879 4.028 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.044 1.775 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.719 2.726 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.789 3.015 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.129 2.103 -3.003 1.00 0.00 H new ATOM 219 N MET A 27 5.117 3.560 -2.562 1.00 0.00 N ATOM 220 CA MET A 27 5.846 3.432 -3.853 1.00 0.00 C ATOM 221 C MET A 27 6.429 2.017 -3.968 1.00 0.00 C ATOM 222 O MET A 27 7.024 1.516 -3.030 1.00 0.00 O ATOM 223 CB MET A 27 6.980 4.456 -3.897 1.00 0.00 C ATOM 224 CG MET A 27 7.057 5.075 -5.295 1.00 0.00 C ATOM 225 SD MET A 27 7.083 6.879 -5.153 1.00 0.00 S ATOM 226 CE MET A 27 5.452 7.071 -4.394 1.00 0.00 C ATOM 0 H MET A 27 5.697 3.491 -1.726 1.00 0.00 H new ATOM 0 HA MET A 27 5.161 3.612 -4.681 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.811 5.234 -3.152 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.927 3.977 -3.648 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.952 4.727 -5.810 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.202 4.758 -5.892 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.019 8.024 -4.699 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.803 6.257 -4.717 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.551 7.048 -3.309 1.00 0.00 H new ATOM 236 N PRO A 28 6.249 1.413 -5.119 1.00 0.00 N ATOM 237 CA PRO A 28 6.746 0.052 -5.380 1.00 0.00 C ATOM 238 C PRO A 28 8.265 0.070 -5.534 1.00 0.00 C ATOM 239 O PRO A 28 8.913 -0.957 -5.544 1.00 0.00 O ATOM 240 CB PRO A 28 6.049 -0.349 -6.683 1.00 0.00 C ATOM 241 CG PRO A 28 5.635 0.968 -7.376 1.00 0.00 C ATOM 242 CD PRO A 28 5.557 2.034 -6.267 1.00 0.00 C ATOM 0 HA PRO A 28 6.536 -0.650 -4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.717 -0.930 -7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.178 -0.973 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.361 1.252 -8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.674 0.858 -7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.043 2.961 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.524 2.281 -6.023 1.00 0.00 H new ATOM 250 N ASP A 29 8.840 1.236 -5.630 1.00 0.00 N ATOM 251 CA ASP A 29 10.315 1.325 -5.755 1.00 0.00 C ATOM 252 C ASP A 29 10.919 1.387 -4.351 1.00 0.00 C ATOM 253 O ASP A 29 12.067 1.737 -4.176 1.00 0.00 O ATOM 254 CB ASP A 29 10.692 2.585 -6.537 1.00 0.00 C ATOM 255 CG ASP A 29 10.380 3.821 -5.694 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.717 3.668 -4.683 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.808 4.898 -6.074 1.00 0.00 O ATOM 0 H ASP A 29 8.349 2.130 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 29 10.698 0.454 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.751 2.564 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.139 2.623 -7.475 1.00 0.00 H new ATOM 262 N LYS A 30 10.139 1.045 -3.352 1.00 0.00 N ATOM 263 CA LYS A 30 10.627 1.068 -1.949 1.00 0.00 C ATOM 264 C LYS A 30 10.577 2.497 -1.409 1.00 0.00 C ATOM 265 O LYS A 30 11.583 3.061 -1.028 1.00 0.00 O ATOM 266 CB LYS A 30 12.057 0.546 -1.895 1.00 0.00 C ATOM 267 CG LYS A 30 12.161 -0.753 -2.695 1.00 0.00 C ATOM 268 CD LYS A 30 13.399 -0.703 -3.592 1.00 0.00 C ATOM 269 CE LYS A 30 14.570 -1.387 -2.884 1.00 0.00 C ATOM 270 NZ LYS A 30 15.748 -0.472 -2.877 1.00 0.00 N ATOM 0 H LYS A 30 9.169 0.747 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 30 9.989 0.431 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.742 1.290 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.352 0.372 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.224 -1.605 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.266 -0.892 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.194 -1.199 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.653 0.332 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.291 -1.646 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.822 -2.318 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.545 -0.936 -2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.018 -0.246 -3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.503 0.405 -2.375 1.00 0.00 H new ATOM 284 N THR A 31 9.412 3.087 -1.369 1.00 0.00 N ATOM 285 CA THR A 31 9.308 4.476 -0.846 1.00 0.00 C ATOM 286 C THR A 31 7.931 4.696 -0.217 1.00 0.00 C ATOM 287 O THR A 31 7.090 3.820 -0.209 1.00 0.00 O ATOM 288 CB THR A 31 9.509 5.472 -1.985 1.00 0.00 C ATOM 289 OG1 THR A 31 10.470 4.960 -2.898 1.00 0.00 O ATOM 290 CG2 THR A 31 10.000 6.805 -1.418 1.00 0.00 C ATOM 0 H THR A 31 8.534 2.668 -1.675 1.00 0.00 H new ATOM 0 HA THR A 31 10.078 4.627 -0.089 1.00 0.00 H new ATOM 0 HB THR A 31 8.563 5.626 -2.504 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.049 4.289 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.143 7.516 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.261 7.197 -0.719 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.946 6.653 -0.898 1.00 0.00 H new ATOM 298 N PHE A 32 7.702 5.868 0.309 1.00 0.00 N ATOM 299 CA PHE A 32 6.388 6.174 0.944 1.00 0.00 C ATOM 300 C PHE A 32 6.237 7.692 1.050 1.00 0.00 C ATOM 301 O PHE A 32 7.210 8.409 1.181 1.00 0.00 O ATOM 302 CB PHE A 32 6.339 5.558 2.345 1.00 0.00 C ATOM 303 CG PHE A 32 5.575 4.256 2.298 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.184 4.254 2.459 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.258 3.052 2.091 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.477 3.047 2.413 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.549 1.846 2.046 1.00 0.00 C ATOM 308 CZ PHE A 32 4.159 1.843 2.206 1.00 0.00 C ATOM 0 H PHE A 32 8.375 6.634 0.326 1.00 0.00 H new ATOM 0 HA PHE A 32 5.579 5.759 0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.350 5.385 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.860 6.248 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.657 5.183 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.331 3.053 1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.404 3.045 2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.076 0.916 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.613 0.912 2.170 1.00 0.00 H new ATOM 318 N GLU A 33 5.035 8.198 0.988 1.00 0.00 N ATOM 319 CA GLU A 33 4.859 9.675 1.078 1.00 0.00 C ATOM 320 C GLU A 33 3.514 10.018 1.724 1.00 0.00 C ATOM 321 O GLU A 33 2.491 10.052 1.070 1.00 0.00 O ATOM 322 CB GLU A 33 4.913 10.278 -0.327 1.00 0.00 C ATOM 323 CG GLU A 33 5.692 11.594 -0.289 1.00 0.00 C ATOM 324 CD GLU A 33 5.662 12.246 -1.672 1.00 0.00 C ATOM 325 OE1 GLU A 33 4.702 12.945 -1.956 1.00 0.00 O ATOM 326 OE2 GLU A 33 6.599 12.037 -2.425 1.00 0.00 O ATOM 0 H GLU A 33 4.176 7.659 0.880 1.00 0.00 H new ATOM 0 HA GLU A 33 5.659 10.087 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.390 9.581 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.903 10.452 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.256 12.266 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.722 11.410 0.016 1.00 0.00 H new ATOM 333 N CYS A 34 3.514 10.297 2.998 1.00 0.00 N ATOM 334 CA CYS A 34 2.244 10.670 3.683 1.00 0.00 C ATOM 335 C CYS A 34 1.844 12.065 3.200 1.00 0.00 C ATOM 336 O CYS A 34 2.330 13.065 3.691 1.00 0.00 O ATOM 337 CB CYS A 34 2.480 10.676 5.198 1.00 0.00 C ATOM 338 SG CYS A 34 0.961 11.118 6.084 1.00 0.00 S ATOM 0 H CYS A 34 4.340 10.283 3.596 1.00 0.00 H new ATOM 0 HA CYS A 34 1.449 9.959 3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.822 9.693 5.521 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.270 11.385 5.445 1.00 0.00 H new ATOM 343 N LEU A 35 0.983 12.143 2.220 1.00 0.00 N ATOM 344 CA LEU A 35 0.579 13.474 1.683 1.00 0.00 C ATOM 345 C LEU A 35 -0.463 14.120 2.594 1.00 0.00 C ATOM 346 O LEU A 35 -1.040 15.136 2.262 1.00 0.00 O ATOM 347 CB LEU A 35 -0.006 13.302 0.279 1.00 0.00 C ATOM 348 CG LEU A 35 -1.079 12.214 0.300 1.00 0.00 C ATOM 349 CD1 LEU A 35 -2.298 12.685 -0.495 1.00 0.00 C ATOM 350 CD2 LEU A 35 -0.520 10.938 -0.333 1.00 0.00 C ATOM 0 H LEU A 35 0.542 11.342 1.768 1.00 0.00 H new ATOM 0 HA LEU A 35 1.457 14.118 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.435 14.243 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.783 13.035 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.373 12.012 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.064 11.909 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.695 13.596 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.005 12.886 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.284 10.160 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.227 11.141 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.350 10.603 0.232 1.00 0.00 H new ATOM 362 N PHE A 36 -0.705 13.556 3.744 1.00 0.00 N ATOM 363 CA PHE A 36 -1.702 14.170 4.658 1.00 0.00 C ATOM 364 C PHE A 36 -1.305 15.632 4.889 1.00 0.00 C ATOM 365 O PHE A 36 -0.133 15.944 4.964 1.00 0.00 O ATOM 366 CB PHE A 36 -1.698 13.404 5.982 1.00 0.00 C ATOM 367 CG PHE A 36 -2.571 14.111 6.983 1.00 0.00 C ATOM 368 CD1 PHE A 36 -2.085 15.230 7.665 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.863 13.644 7.237 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.888 15.883 8.604 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.670 14.296 8.175 1.00 0.00 C ATOM 372 CZ PHE A 36 -4.183 15.415 8.861 1.00 0.00 C ATOM 0 H PHE A 36 -0.260 12.705 4.087 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.703 14.127 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.058 12.387 5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.680 13.326 6.364 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.087 15.591 7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.238 12.780 6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.511 16.747 9.131 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.669 13.936 8.370 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.805 15.917 9.587 1.00 0.00 H new ATOM 382 N PRO A 37 -2.288 16.489 4.983 1.00 0.00 N ATOM 383 CA PRO A 37 -2.057 17.928 5.190 1.00 0.00 C ATOM 384 C PRO A 37 -1.558 18.189 6.609 1.00 0.00 C ATOM 385 O PRO A 37 -2.306 18.161 7.565 1.00 0.00 O ATOM 386 CB PRO A 37 -3.428 18.560 4.937 1.00 0.00 C ATOM 387 CG PRO A 37 -4.466 17.432 5.138 1.00 0.00 C ATOM 388 CD PRO A 37 -3.713 16.108 4.906 1.00 0.00 C ATOM 0 HA PRO A 37 -1.292 18.343 4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.610 19.384 5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.488 18.969 3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.890 17.468 6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.295 17.536 4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.969 15.366 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.958 15.674 3.937 1.00 0.00 H new ATOM 396 N GLY A 38 -0.284 18.429 6.741 1.00 0.00 N ATOM 397 CA GLY A 38 0.303 18.678 8.082 1.00 0.00 C ATOM 398 C GLY A 38 1.511 17.757 8.268 1.00 0.00 C ATOM 399 O GLY A 38 2.210 17.825 9.260 1.00 0.00 O ATOM 0 H GLY A 38 0.381 18.463 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.605 19.721 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.438 18.491 8.859 1.00 0.00 H new ATOM 403 N CYS A 39 1.759 16.891 7.319 1.00 0.00 N ATOM 404 CA CYS A 39 2.918 15.962 7.439 1.00 0.00 C ATOM 405 C CYS A 39 4.185 16.629 6.897 1.00 0.00 C ATOM 406 O CYS A 39 4.369 17.821 7.032 1.00 0.00 O ATOM 407 CB CYS A 39 2.633 14.682 6.652 1.00 0.00 C ATOM 408 SG CYS A 39 3.489 13.292 7.439 1.00 0.00 S ATOM 0 H CYS A 39 1.208 16.789 6.467 1.00 0.00 H new ATOM 0 HA CYS A 39 3.069 15.716 8.490 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.560 14.492 6.620 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.968 14.793 5.621 1.00 0.00 H new ATOM 413 N THR A 40 5.051 15.850 6.295 1.00 0.00 N ATOM 414 CA THR A 40 6.334 16.371 5.731 1.00 0.00 C ATOM 415 C THR A 40 7.390 15.257 5.820 1.00 0.00 C ATOM 416 O THR A 40 8.468 15.371 5.273 1.00 0.00 O ATOM 417 CB THR A 40 6.809 17.605 6.525 1.00 0.00 C ATOM 418 OG1 THR A 40 6.190 18.769 5.997 1.00 0.00 O ATOM 419 CG2 THR A 40 8.331 17.758 6.419 1.00 0.00 C ATOM 0 H THR A 40 4.917 14.847 6.168 1.00 0.00 H new ATOM 0 HA THR A 40 6.185 16.669 4.693 1.00 0.00 H new ATOM 0 HB THR A 40 6.536 17.474 7.572 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.313 18.892 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.649 18.634 6.985 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.815 16.869 6.823 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.612 17.880 5.373 1.00 0.00 H new ATOM 427 N LYS A 41 7.095 14.185 6.517 1.00 0.00 N ATOM 428 CA LYS A 41 8.093 13.084 6.644 1.00 0.00 C ATOM 429 C LYS A 41 7.732 11.930 5.705 1.00 0.00 C ATOM 430 O LYS A 41 6.645 11.388 5.758 1.00 0.00 O ATOM 431 CB LYS A 41 8.104 12.575 8.087 1.00 0.00 C ATOM 432 CG LYS A 41 8.753 13.623 8.995 1.00 0.00 C ATOM 433 CD LYS A 41 8.133 13.540 10.391 1.00 0.00 C ATOM 434 CE LYS A 41 8.373 12.146 10.973 1.00 0.00 C ATOM 435 NZ LYS A 41 7.899 12.108 12.385 1.00 0.00 N ATOM 0 H LYS A 41 6.210 14.028 7.000 1.00 0.00 H new ATOM 0 HA LYS A 41 9.078 13.466 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.086 12.371 8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.653 11.636 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.828 13.455 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.608 14.620 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.571 14.298 11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.064 13.745 10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.846 11.398 10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.434 11.899 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.062 11.160 12.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.421 12.812 12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.883 12.326 12.416 1.00 0.00 H new ATOM 449 N THR A 42 8.645 11.540 4.855 1.00 0.00 N ATOM 450 CA THR A 42 8.367 10.411 3.922 1.00 0.00 C ATOM 451 C THR A 42 9.038 9.150 4.466 1.00 0.00 C ATOM 452 O THR A 42 9.909 9.219 5.311 1.00 0.00 O ATOM 453 CB THR A 42 8.929 10.727 2.534 1.00 0.00 C ATOM 454 OG1 THR A 42 10.329 10.486 2.525 1.00 0.00 O ATOM 455 CG2 THR A 42 8.655 12.191 2.178 1.00 0.00 C ATOM 0 H THR A 42 9.572 11.956 4.767 1.00 0.00 H new ATOM 0 HA THR A 42 7.290 10.260 3.841 1.00 0.00 H new ATOM 0 HB THR A 42 8.444 10.087 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.690 10.686 1.636 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.059 12.407 1.189 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.580 12.370 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.131 12.840 2.913 1.00 0.00 H new ATOM 463 N PHE A 43 8.639 7.997 4.005 1.00 0.00 N ATOM 464 CA PHE A 43 9.261 6.745 4.520 1.00 0.00 C ATOM 465 C PHE A 43 9.663 5.845 3.350 1.00 0.00 C ATOM 466 O PHE A 43 9.508 6.202 2.199 1.00 0.00 O ATOM 467 CB PHE A 43 8.252 6.026 5.412 1.00 0.00 C ATOM 468 CG PHE A 43 7.469 7.057 6.191 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.416 7.745 5.574 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.806 7.339 7.520 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.699 8.713 6.289 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.089 8.308 8.234 1.00 0.00 C ATOM 473 CZ PHE A 43 6.035 8.994 7.618 1.00 0.00 C ATOM 0 H PHE A 43 7.914 7.868 3.299 1.00 0.00 H new ATOM 0 HA PHE A 43 10.155 6.985 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.579 5.419 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.766 5.349 6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.157 7.529 4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.619 6.810 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.886 9.243 5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.349 8.526 9.259 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.481 9.740 8.169 1.00 0.00 H new ATOM 483 N LYS A 44 10.190 4.684 3.636 1.00 0.00 N ATOM 484 CA LYS A 44 10.611 3.772 2.536 1.00 0.00 C ATOM 485 C LYS A 44 10.345 2.317 2.933 1.00 0.00 C ATOM 486 O LYS A 44 10.701 1.882 4.011 1.00 0.00 O ATOM 487 CB LYS A 44 12.106 3.958 2.275 1.00 0.00 C ATOM 488 CG LYS A 44 12.900 3.395 3.455 1.00 0.00 C ATOM 489 CD LYS A 44 14.041 4.349 3.810 1.00 0.00 C ATOM 490 CE LYS A 44 14.679 3.912 5.130 1.00 0.00 C ATOM 491 NZ LYS A 44 14.908 5.105 5.993 1.00 0.00 N ATOM 0 H LYS A 44 10.346 4.330 4.580 1.00 0.00 H new ATOM 0 HA LYS A 44 10.043 4.007 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.392 3.450 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.334 5.015 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.245 3.260 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.300 2.413 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.788 4.351 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.664 5.368 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.031 3.200 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.623 3.403 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.342 4.807 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.543 5.769 5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.000 5.573 6.187 1.00 0.00 H new ATOM 505 N ARG A 45 9.731 1.561 2.061 1.00 0.00 N ATOM 506 CA ARG A 45 9.445 0.129 2.368 1.00 0.00 C ATOM 507 C ARG A 45 9.006 -0.017 3.826 1.00 0.00 C ATOM 508 O ARG A 45 9.796 -0.339 4.691 1.00 0.00 O ATOM 509 CB ARG A 45 10.708 -0.703 2.136 1.00 0.00 C ATOM 510 CG ARG A 45 10.378 -1.889 1.228 1.00 0.00 C ATOM 511 CD ARG A 45 9.944 -3.082 2.082 1.00 0.00 C ATOM 512 NE ARG A 45 10.131 -4.341 1.306 1.00 0.00 N ATOM 513 CZ ARG A 45 9.232 -4.710 0.434 1.00 0.00 C ATOM 514 NH1 ARG A 45 8.279 -3.889 0.087 1.00 0.00 N ATOM 515 NH2 ARG A 45 9.287 -5.903 -0.092 1.00 0.00 N ATOM 0 H ARG A 45 9.414 1.876 1.144 1.00 0.00 H new ATOM 0 HA ARG A 45 8.645 -0.222 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.483 -0.087 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 45 11.102 -1.059 3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.583 -1.618 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.249 -2.155 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.530 -3.118 3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.899 -2.973 2.374 1.00 0.00 H new ATOM 0 HE ARG A 45 10.961 -4.914 1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.235 -2.956 0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.578 -4.180 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.032 -6.546 0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.585 -6.193 -0.773 1.00 0.00 H new ATOM 529 N ARG A 46 7.752 0.209 4.108 1.00 0.00 N ATOM 530 CA ARG A 46 7.273 0.074 5.512 1.00 0.00 C ATOM 531 C ARG A 46 5.797 0.467 5.594 1.00 0.00 C ATOM 532 O ARG A 46 5.416 1.565 5.243 1.00 0.00 O ATOM 533 CB ARG A 46 8.094 0.989 6.426 1.00 0.00 C ATOM 534 CG ARG A 46 8.221 0.346 7.809 1.00 0.00 C ATOM 535 CD ARG A 46 9.698 0.144 8.148 1.00 0.00 C ATOM 536 NE ARG A 46 9.822 -0.339 9.552 1.00 0.00 N ATOM 537 CZ ARG A 46 10.695 -1.263 9.849 1.00 0.00 C ATOM 538 NH1 ARG A 46 11.957 -0.955 9.969 1.00 0.00 N ATOM 539 NH2 ARG A 46 10.304 -2.496 10.027 1.00 0.00 N ATOM 0 H ARG A 46 7.041 0.480 3.429 1.00 0.00 H new ATOM 0 HA ARG A 46 7.391 -0.961 5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.083 1.156 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.614 1.964 6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.749 0.979 8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.700 -0.611 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.144 -0.577 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.242 1.080 8.024 1.00 0.00 H new ATOM 0 HE ARG A 46 9.225 0.052 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.262 0.008 9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.638 -1.678 10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.317 -2.737 9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.985 -3.219 10.259 1.00 0.00 H new ATOM 553 N TYR A 47 4.966 -0.421 6.067 1.00 0.00 N ATOM 554 CA TYR A 47 3.515 -0.094 6.187 1.00 0.00 C ATOM 555 C TYR A 47 3.251 0.343 7.616 1.00 0.00 C ATOM 556 O TYR A 47 2.156 0.217 8.126 1.00 0.00 O ATOM 557 CB TYR A 47 2.640 -1.321 5.888 1.00 0.00 C ATOM 558 CG TYR A 47 3.499 -2.527 5.609 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.922 -3.341 6.666 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.870 -2.828 4.298 1.00 0.00 C ATOM 561 CE1 TYR A 47 4.720 -4.462 6.406 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.667 -3.949 4.036 1.00 0.00 C ATOM 563 CZ TYR A 47 5.091 -4.766 5.091 1.00 0.00 C ATOM 564 OH TYR A 47 5.877 -5.871 4.834 1.00 0.00 O ATOM 0 H TYR A 47 5.227 -1.357 6.375 1.00 0.00 H new ATOM 0 HA TYR A 47 3.269 0.690 5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.984 -1.522 6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.999 -1.118 5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.634 -3.105 7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.542 -2.196 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.049 -5.092 7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.954 -4.183 3.022 1.00 0.00 H new ATOM 0 HH TYR A 47 6.042 -5.938 3.870 1.00 0.00 H new ATOM 574 N ASN A 48 4.248 0.857 8.270 1.00 0.00 N ATOM 575 CA ASN A 48 4.054 1.298 9.666 1.00 0.00 C ATOM 576 C ASN A 48 3.815 2.805 9.670 1.00 0.00 C ATOM 577 O ASN A 48 3.382 3.380 10.650 1.00 0.00 O ATOM 578 CB ASN A 48 5.299 0.966 10.493 1.00 0.00 C ATOM 579 CG ASN A 48 5.168 -0.444 11.072 1.00 0.00 C ATOM 580 OD1 ASN A 48 5.301 -0.640 12.264 1.00 0.00 O ATOM 581 ND2 ASN A 48 4.914 -1.444 10.272 1.00 0.00 N ATOM 0 H ASN A 48 5.188 0.990 7.896 1.00 0.00 H new ATOM 0 HA ASN A 48 3.198 0.785 10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.191 1.033 9.870 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.418 1.691 11.298 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.827 -2.388 10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.802 -1.281 9.271 1.00 0.00 H new ATOM 588 N ILE A 49 4.083 3.449 8.567 1.00 0.00 N ATOM 589 CA ILE A 49 3.859 4.915 8.499 1.00 0.00 C ATOM 590 C ILE A 49 2.351 5.156 8.403 1.00 0.00 C ATOM 591 O ILE A 49 1.842 6.160 8.861 1.00 0.00 O ATOM 592 CB ILE A 49 4.619 5.540 7.297 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.649 6.004 6.202 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.597 4.529 6.694 1.00 0.00 C ATOM 595 CD1 ILE A 49 2.934 4.802 5.590 1.00 0.00 C ATOM 0 H ILE A 49 4.446 3.023 7.714 1.00 0.00 H new ATOM 0 HA ILE A 49 4.250 5.399 9.394 1.00 0.00 H new ATOM 0 HB ILE A 49 5.166 6.403 7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.919 6.696 6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.194 6.545 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.120 4.985 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.321 4.227 7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.048 3.654 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.248 5.143 4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.669 4.125 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.374 4.278 6.365 1.00 0.00 H new ATOM 607 N ARG A 50 1.629 4.229 7.828 1.00 0.00 N ATOM 608 CA ARG A 50 0.157 4.405 7.730 1.00 0.00 C ATOM 609 C ARG A 50 -0.391 4.559 9.146 1.00 0.00 C ATOM 610 O ARG A 50 -1.344 5.275 9.384 1.00 0.00 O ATOM 611 CB ARG A 50 -0.475 3.185 7.051 1.00 0.00 C ATOM 612 CG ARG A 50 0.086 1.900 7.666 1.00 0.00 C ATOM 613 CD ARG A 50 -1.072 0.995 8.093 1.00 0.00 C ATOM 614 NE ARG A 50 -0.539 -0.180 8.839 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.296 -1.226 9.034 1.00 0.00 C ATOM 616 NH1 ARG A 50 -2.586 -1.081 9.163 1.00 0.00 N ATOM 617 NH2 ARG A 50 -0.764 -2.415 9.100 1.00 0.00 N ATOM 0 H ARG A 50 1.995 3.366 7.426 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.080 5.286 7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.558 3.212 7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.270 3.206 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.719 1.384 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.712 2.138 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.769 1.551 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.628 0.661 7.217 1.00 0.00 H new ATOM 0 HE ARG A 50 0.416 -0.167 9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.002 -0.151 9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.178 -1.897 9.315 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.245 -2.529 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.357 -3.231 9.252 1.00 0.00 H new ATOM 631 N SER A 51 0.231 3.914 10.096 1.00 0.00 N ATOM 632 CA SER A 51 -0.221 4.046 11.503 1.00 0.00 C ATOM 633 C SER A 51 0.269 5.394 12.021 1.00 0.00 C ATOM 634 O SER A 51 -0.413 6.080 12.757 1.00 0.00 O ATOM 635 CB SER A 51 0.374 2.918 12.349 1.00 0.00 C ATOM 636 OG SER A 51 -0.668 2.045 12.765 1.00 0.00 O ATOM 0 H SER A 51 1.034 3.301 9.954 1.00 0.00 H new ATOM 0 HA SER A 51 -1.308 3.984 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.117 2.368 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.887 3.331 13.218 1.00 0.00 H new ATOM 0 HG SER A 51 -0.291 1.320 13.306 1.00 0.00 H new ATOM 642 N HIS A 52 1.448 5.787 11.617 1.00 0.00 N ATOM 643 CA HIS A 52 1.986 7.103 12.056 1.00 0.00 C ATOM 644 C HIS A 52 0.935 8.172 11.750 1.00 0.00 C ATOM 645 O HIS A 52 0.745 9.110 12.499 1.00 0.00 O ATOM 646 CB HIS A 52 3.314 7.386 11.302 1.00 0.00 C ATOM 647 CG HIS A 52 3.262 8.717 10.582 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.119 9.762 10.892 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.416 9.201 9.614 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.760 10.816 10.134 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.725 10.527 9.340 1.00 0.00 N ATOM 0 H HIS A 52 2.060 5.252 11.002 1.00 0.00 H new ATOM 0 HA HIS A 52 2.197 7.107 13.125 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.144 7.384 12.009 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.505 6.588 10.584 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.881 9.737 11.569 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.629 8.635 9.138 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.250 11.778 10.164 1.00 0.00 H new ATOM 659 N ILE A 53 0.254 8.030 10.649 1.00 0.00 N ATOM 660 CA ILE A 53 -0.785 9.027 10.283 1.00 0.00 C ATOM 661 C ILE A 53 -1.886 8.984 11.337 1.00 0.00 C ATOM 662 O ILE A 53 -2.137 9.948 12.033 1.00 0.00 O ATOM 663 CB ILE A 53 -1.385 8.673 8.914 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.276 8.320 7.919 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.169 9.863 8.374 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.894 8.037 6.548 1.00 0.00 C ATOM 0 H ILE A 53 0.373 7.264 9.986 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.343 10.022 10.233 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.045 7.815 9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.437 9.141 7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.277 7.448 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.593 9.609 7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.972 10.114 9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.503 10.719 8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.106 7.786 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.590 7.202 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.427 8.922 6.200 1.00 0.00 H new ATOM 678 N GLN A 54 -2.538 7.865 11.460 1.00 0.00 N ATOM 679 CA GLN A 54 -3.624 7.735 12.467 1.00 0.00 C ATOM 680 C GLN A 54 -3.187 8.381 13.780 1.00 0.00 C ATOM 681 O GLN A 54 -4.007 8.806 14.568 1.00 0.00 O ATOM 682 CB GLN A 54 -3.934 6.256 12.697 1.00 0.00 C ATOM 683 CG GLN A 54 -5.203 5.878 11.931 1.00 0.00 C ATOM 684 CD GLN A 54 -4.889 4.749 10.946 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.471 3.684 11.019 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.988 4.938 10.020 1.00 0.00 N ATOM 0 H GLN A 54 -2.364 7.029 10.902 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.519 8.238 12.101 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.098 5.642 12.363 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.067 6.062 13.761 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.980 5.562 12.627 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.589 6.745 11.395 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.500 5.831 9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.773 4.192 9.358 1.00 0.00 H new ATOM 695 N THR A 55 -1.909 8.469 14.029 1.00 0.00 N ATOM 696 CA THR A 55 -1.460 9.105 15.292 1.00 0.00 C ATOM 697 C THR A 55 -1.486 10.618 15.116 1.00 0.00 C ATOM 698 O THR A 55 -2.013 11.338 15.941 1.00 0.00 O ATOM 699 CB THR A 55 -0.040 8.642 15.632 1.00 0.00 C ATOM 700 OG1 THR A 55 0.142 7.308 15.181 1.00 0.00 O ATOM 701 CG2 THR A 55 0.172 8.703 17.145 1.00 0.00 C ATOM 0 H THR A 55 -1.166 8.131 13.418 1.00 0.00 H new ATOM 0 HA THR A 55 -2.125 8.818 16.107 1.00 0.00 H new ATOM 0 HB THR A 55 0.681 9.295 15.140 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.353 7.312 14.224 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.183 8.373 17.384 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.033 9.727 17.491 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.549 8.052 17.640 1.00 0.00 H new ATOM 709 N HIS A 56 -0.935 11.114 14.045 1.00 0.00 N ATOM 710 CA HIS A 56 -0.952 12.574 13.831 1.00 0.00 C ATOM 711 C HIS A 56 -2.212 12.955 13.055 1.00 0.00 C ATOM 712 O HIS A 56 -2.346 14.048 12.544 1.00 0.00 O ATOM 713 CB HIS A 56 0.350 13.007 13.145 1.00 0.00 C ATOM 714 CG HIS A 56 0.283 13.057 11.639 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.312 14.098 10.944 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.925 12.305 10.698 1.00 0.00 C ATOM 717 CE1 HIS A 56 0.020 13.954 9.643 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.779 12.873 9.439 1.00 0.00 N ATOM 0 H HIS A 56 -0.477 10.569 13.315 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.994 13.110 14.779 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.629 13.993 13.516 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.144 12.320 13.437 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.893 14.836 11.342 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.470 11.396 10.904 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.291 14.631 8.861 1.00 0.00 H new ATOM 726 N LEU A 57 -3.167 12.060 13.029 1.00 0.00 N ATOM 727 CA LEU A 57 -4.459 12.346 12.363 1.00 0.00 C ATOM 728 C LEU A 57 -5.554 12.272 13.428 1.00 0.00 C ATOM 729 O LEU A 57 -6.487 13.050 13.424 1.00 0.00 O ATOM 730 CB LEU A 57 -4.735 11.311 11.273 1.00 0.00 C ATOM 731 CG LEU A 57 -4.637 11.985 9.909 1.00 0.00 C ATOM 732 CD1 LEU A 57 -3.182 12.377 9.644 1.00 0.00 C ATOM 733 CD2 LEU A 57 -5.116 11.018 8.824 1.00 0.00 C ATOM 0 H LEU A 57 -3.098 11.133 13.449 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.433 13.332 11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.018 10.493 11.341 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.726 10.878 11.408 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.263 12.877 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.107 12.859 8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.844 13.067 10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.557 11.484 9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.046 11.501 7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.492 10.124 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.152 10.739 9.017 1.00 0.00 H new ATOM 745 N GLU A 58 -5.413 11.340 14.350 1.00 0.00 N ATOM 746 CA GLU A 58 -6.402 11.164 15.462 1.00 0.00 C ATOM 747 C GLU A 58 -7.766 11.750 15.084 1.00 0.00 C ATOM 748 O GLU A 58 -8.201 12.745 15.630 1.00 0.00 O ATOM 749 CB GLU A 58 -5.866 11.852 16.722 1.00 0.00 C ATOM 750 CG GLU A 58 -6.986 11.980 17.761 1.00 0.00 C ATOM 751 CD GLU A 58 -6.428 11.684 19.155 1.00 0.00 C ATOM 752 OE1 GLU A 58 -5.309 12.089 19.424 1.00 0.00 O ATOM 753 OE2 GLU A 58 -7.131 11.058 19.931 1.00 0.00 O ATOM 0 H GLU A 58 -4.635 10.681 14.375 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.536 10.099 15.649 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.037 11.278 17.136 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.476 12.838 16.471 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.409 12.984 17.733 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.794 11.287 17.527 1.00 0.00 H new ATOM 760 N ASP A 59 -8.443 11.139 14.152 1.00 0.00 N ATOM 761 CA ASP A 59 -9.777 11.658 13.737 1.00 0.00 C ATOM 762 C ASP A 59 -10.462 10.632 12.834 1.00 0.00 C ATOM 763 O ASP A 59 -10.549 10.805 11.635 1.00 0.00 O ATOM 764 CB ASP A 59 -9.600 12.974 12.977 1.00 0.00 C ATOM 765 CG ASP A 59 -10.876 13.809 13.097 1.00 0.00 C ATOM 766 OD1 ASP A 59 -11.935 13.220 13.233 1.00 0.00 O ATOM 767 OD2 ASP A 59 -10.772 15.024 13.053 1.00 0.00 O ATOM 0 H ASP A 59 -8.130 10.302 13.659 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.391 11.832 14.620 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.752 13.527 13.380 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.381 12.774 11.928 1.00 0.00 H new ATOM 772 N ARG A 60 -10.951 9.563 13.401 1.00 0.00 N ATOM 773 CA ARG A 60 -11.632 8.525 12.577 1.00 0.00 C ATOM 774 C ARG A 60 -13.086 8.386 13.031 1.00 0.00 C ATOM 775 O ARG A 60 -13.964 8.720 12.251 1.00 0.00 O ATOM 776 CB ARG A 60 -10.913 7.184 12.750 1.00 0.00 C ATOM 777 CG ARG A 60 -10.902 6.433 11.418 1.00 0.00 C ATOM 778 CD ARG A 60 -9.678 5.516 11.359 1.00 0.00 C ATOM 779 NE ARG A 60 -10.109 4.131 11.019 1.00 0.00 N ATOM 780 CZ ARG A 60 -9.255 3.294 10.498 1.00 0.00 C ATOM 781 NH1 ARG A 60 -8.509 3.665 9.494 1.00 0.00 N ATOM 782 NH2 ARG A 60 -9.147 2.086 10.981 1.00 0.00 N ATOM 783 OXT ARG A 60 -13.297 7.950 14.150 1.00 0.00 O ATOM 0 H ARG A 60 -10.908 9.364 14.400 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.606 8.819 11.528 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.892 7.349 13.095 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.414 6.587 13.512 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.815 5.846 11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.880 7.141 10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.972 5.882 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.160 5.522 12.318 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.070 3.838 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.594 4.609 9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.841 3.011 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.731 1.797 11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.479 1.432 10.573 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.845 11.834 8.092 1.00 0.00 ZN