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 4:sc= 0.841 USER MOD Single : A 19 SER OG : rot 46:sc= 0.33 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 140:sc= -1.7 (180deg=-4.56!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 158:sc= -0.331! USER MOD Single : A 40 THR OG1 : rot -50:sc= 0.336 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= -0.859 K(o=-0.86,f=-0.03) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.1 K(o=-2.1,f=-1.5) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -11.048 -1.152 3.200 1.00 0.00 N ATOM 2 CA THR A 14 -10.590 -1.539 4.563 1.00 0.00 C ATOM 3 C THR A 14 -11.493 -0.885 5.610 1.00 0.00 C ATOM 4 O THR A 14 -11.916 0.244 5.460 1.00 0.00 O ATOM 5 CB THR A 14 -9.147 -1.069 4.769 1.00 0.00 C ATOM 6 OG1 THR A 14 -8.696 -0.405 3.598 1.00 0.00 O ATOM 7 CG2 THR A 14 -8.250 -2.275 5.054 1.00 0.00 C ATOM 0 HA THR A 14 -10.638 -2.623 4.668 1.00 0.00 H new ATOM 0 HB THR A 14 -9.105 -0.383 5.615 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.430 -0.347 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.224 -1.939 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.597 -2.782 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.289 -2.965 4.211 1.00 0.00 H new ATOM 17 N LEU A 15 -11.793 -1.584 6.670 1.00 0.00 N ATOM 18 CA LEU A 15 -12.669 -1.000 7.723 1.00 0.00 C ATOM 19 C LEU A 15 -12.241 0.437 8.012 1.00 0.00 C ATOM 20 O LEU A 15 -13.054 1.339 7.990 1.00 0.00 O ATOM 21 CB LEU A 15 -12.567 -1.836 9.001 1.00 0.00 C ATOM 22 CG LEU A 15 -13.972 -2.138 9.526 1.00 0.00 C ATOM 23 CD1 LEU A 15 -14.755 -0.833 9.666 1.00 0.00 C ATOM 24 CD2 LEU A 15 -14.693 -3.062 8.542 1.00 0.00 C ATOM 0 H LEU A 15 -11.469 -2.534 6.852 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.701 -1.003 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.035 -2.766 8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.993 -1.298 9.755 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.901 -2.625 10.499 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -15.756 -1.048 10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -14.240 -0.173 10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.828 -0.346 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.694 -3.279 8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.764 -2.574 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.134 -3.992 8.440 1.00 0.00 H new ATOM 36 N PRO A 16 -10.975 0.609 8.278 1.00 0.00 N ATOM 37 CA PRO A 16 -10.411 1.932 8.579 1.00 0.00 C ATOM 38 C PRO A 16 -10.170 2.716 7.287 1.00 0.00 C ATOM 39 O PRO A 16 -9.493 2.256 6.388 1.00 0.00 O ATOM 40 CB PRO A 16 -9.092 1.602 9.272 1.00 0.00 C ATOM 41 CG PRO A 16 -8.702 0.173 8.821 1.00 0.00 C ATOM 42 CD PRO A 16 -9.989 -0.492 8.308 1.00 0.00 C ATOM 0 HA PRO A 16 -11.066 2.553 9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.319 2.320 8.997 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.201 1.650 10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.945 0.207 8.038 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.278 -0.393 9.650 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.846 -0.927 7.319 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.311 -1.298 8.967 1.00 0.00 H new ATOM 50 N ARG A 17 -10.717 3.897 7.185 1.00 0.00 N ATOM 51 CA ARG A 17 -10.517 4.708 5.951 1.00 0.00 C ATOM 52 C ARG A 17 -10.944 6.153 6.215 1.00 0.00 C ATOM 53 O ARG A 17 -11.606 6.771 5.406 1.00 0.00 O ATOM 54 CB ARG A 17 -11.360 4.125 4.815 1.00 0.00 C ATOM 55 CG ARG A 17 -12.844 4.240 5.169 1.00 0.00 C ATOM 56 CD ARG A 17 -13.302 2.959 5.868 1.00 0.00 C ATOM 57 NE ARG A 17 -14.308 3.298 6.915 1.00 0.00 N ATOM 58 CZ ARG A 17 -15.520 3.638 6.569 1.00 0.00 C ATOM 59 NH1 ARG A 17 -16.408 2.716 6.313 1.00 0.00 N ATOM 60 NH2 ARG A 17 -15.842 4.899 6.477 1.00 0.00 N ATOM 0 H ARG A 17 -11.294 4.335 7.903 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.464 4.687 5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.155 4.657 3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.095 3.081 4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.008 5.100 5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.432 4.405 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.734 2.270 5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.448 2.453 6.319 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.049 3.264 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.155 1.730 6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.355 2.981 6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.147 5.619 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.789 5.165 6.207 1.00 0.00 H new ATOM 74 N GLY A 18 -10.570 6.696 7.341 1.00 0.00 N ATOM 75 CA GLY A 18 -10.955 8.100 7.656 1.00 0.00 C ATOM 76 C GLY A 18 -10.306 9.047 6.645 1.00 0.00 C ATOM 77 O GLY A 18 -10.977 9.789 5.956 1.00 0.00 O ATOM 0 H GLY A 18 -10.014 6.228 8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.039 8.206 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.638 8.357 8.667 1.00 0.00 H new ATOM 81 N SER A 19 -9.005 9.027 6.551 1.00 0.00 N ATOM 82 CA SER A 19 -8.315 9.926 5.583 1.00 0.00 C ATOM 83 C SER A 19 -6.834 9.552 5.503 1.00 0.00 C ATOM 84 O SER A 19 -5.989 10.377 5.218 1.00 0.00 O ATOM 85 CB SER A 19 -8.448 11.377 6.051 1.00 0.00 C ATOM 86 OG SER A 19 -9.548 11.985 5.387 1.00 0.00 O ATOM 0 H SER A 19 -8.390 8.428 7.102 1.00 0.00 H new ATOM 0 HA SER A 19 -8.771 9.817 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.596 11.411 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.531 11.926 5.837 1.00 0.00 H new ATOM 0 HG SER A 19 -10.320 11.382 5.413 1.00 0.00 H new ATOM 92 N ILE A 20 -6.510 8.312 5.753 1.00 0.00 N ATOM 93 CA ILE A 20 -5.085 7.889 5.693 1.00 0.00 C ATOM 94 C ILE A 20 -4.799 7.254 4.332 1.00 0.00 C ATOM 95 O ILE A 20 -3.767 7.483 3.732 1.00 0.00 O ATOM 96 CB ILE A 20 -4.806 6.873 6.799 1.00 0.00 C ATOM 97 CG1 ILE A 20 -4.865 7.573 8.158 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.415 6.269 6.599 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.790 6.794 9.094 1.00 0.00 C ATOM 0 H ILE A 20 -7.172 7.575 5.996 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.442 8.759 5.830 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.554 6.081 6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.866 7.639 8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.228 8.594 8.038 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.216 5.544 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.370 5.772 5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.666 7.060 6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.832 7.293 10.062 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.791 6.751 8.664 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.408 5.782 9.224 1.00 0.00 H new ATOM 111 N ASP A 21 -5.705 6.457 3.843 1.00 0.00 N ATOM 112 CA ASP A 21 -5.488 5.804 2.520 1.00 0.00 C ATOM 113 C ASP A 21 -5.502 6.867 1.420 1.00 0.00 C ATOM 114 O ASP A 21 -4.989 6.661 0.338 1.00 0.00 O ATOM 115 CB ASP A 21 -6.603 4.790 2.263 1.00 0.00 C ATOM 116 CG ASP A 21 -6.169 3.412 2.770 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.513 2.708 2.020 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.501 3.087 3.897 1.00 0.00 O ATOM 0 H ASP A 21 -6.587 6.228 4.301 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.525 5.293 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.517 5.103 2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.827 4.743 1.197 1.00 0.00 H new ATOM 123 N LYS A 22 -6.083 8.003 1.688 1.00 0.00 N ATOM 124 CA LYS A 22 -6.126 9.076 0.657 1.00 0.00 C ATOM 125 C LYS A 22 -4.970 10.051 0.889 1.00 0.00 C ATOM 126 O LYS A 22 -4.982 11.168 0.413 1.00 0.00 O ATOM 127 CB LYS A 22 -7.456 9.828 0.755 1.00 0.00 C ATOM 128 CG LYS A 22 -7.514 10.593 2.079 1.00 0.00 C ATOM 129 CD LYS A 22 -8.840 11.351 2.173 1.00 0.00 C ATOM 130 CE LYS A 22 -8.705 12.703 1.469 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.901 12.937 0.611 1.00 0.00 N ATOM 0 H LYS A 22 -6.529 8.234 2.575 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.034 8.631 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.557 10.520 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.288 9.127 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.419 9.901 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.679 11.290 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.638 10.768 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.114 11.499 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.611 13.501 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.800 12.721 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.810 13.856 0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.971 12.181 -0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.757 12.938 1.201 1.00 0.00 H new ATOM 145 N TYR A 23 -3.970 9.636 1.619 1.00 0.00 N ATOM 146 CA TYR A 23 -2.815 10.540 1.880 1.00 0.00 C ATOM 147 C TYR A 23 -1.556 9.705 2.126 1.00 0.00 C ATOM 148 O TYR A 23 -0.637 10.131 2.796 1.00 0.00 O ATOM 149 CB TYR A 23 -3.108 11.401 3.111 1.00 0.00 C ATOM 150 CG TYR A 23 -3.851 12.645 2.685 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.226 13.580 1.851 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.163 12.863 3.121 1.00 0.00 C ATOM 153 CE1 TYR A 23 -3.914 14.733 1.453 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.851 14.015 2.722 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.227 14.950 1.888 1.00 0.00 C ATOM 156 OH TYR A 23 -5.904 16.086 1.495 1.00 0.00 O ATOM 0 H TYR A 23 -3.904 8.712 2.045 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.657 11.185 1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.702 10.837 3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.177 11.672 3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.214 13.412 1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.645 12.142 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.432 15.455 0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.864 14.182 3.058 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.804 16.082 1.884 1.00 0.00 H new ATOM 166 N VAL A 24 -1.506 8.518 1.584 1.00 0.00 N ATOM 167 CA VAL A 24 -0.306 7.657 1.783 1.00 0.00 C ATOM 168 C VAL A 24 0.284 7.286 0.420 1.00 0.00 C ATOM 169 O VAL A 24 -0.180 6.377 -0.240 1.00 0.00 O ATOM 170 CB VAL A 24 -0.706 6.384 2.530 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.512 5.471 2.674 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.233 6.753 3.919 1.00 0.00 C ATOM 0 H VAL A 24 -2.244 8.108 1.012 1.00 0.00 H new ATOM 0 HA VAL A 24 0.437 8.199 2.367 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.484 5.865 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.226 4.564 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.888 5.208 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.291 5.989 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.519 5.846 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.454 7.273 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.102 7.403 3.818 1.00 0.00 H new ATOM 182 N LYS A 25 1.302 7.983 -0.007 1.00 0.00 N ATOM 183 CA LYS A 25 1.917 7.670 -1.328 1.00 0.00 C ATOM 184 C LYS A 25 2.888 6.496 -1.177 1.00 0.00 C ATOM 185 O LYS A 25 4.044 6.672 -0.851 1.00 0.00 O ATOM 186 CB LYS A 25 2.678 8.896 -1.838 1.00 0.00 C ATOM 187 CG LYS A 25 1.797 9.675 -2.817 1.00 0.00 C ATOM 188 CD LYS A 25 2.388 9.577 -4.224 1.00 0.00 C ATOM 189 CE LYS A 25 2.266 10.930 -4.927 1.00 0.00 C ATOM 190 NZ LYS A 25 2.686 10.792 -6.349 1.00 0.00 N ATOM 0 H LYS A 25 1.734 8.755 0.501 1.00 0.00 H new ATOM 0 HA LYS A 25 1.134 7.404 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.962 9.534 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.600 8.586 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.783 9.275 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.730 10.719 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.435 9.277 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.866 8.810 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.238 11.288 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.888 11.670 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.603 11.712 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.674 10.469 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.075 10.098 -6.826 1.00 0.00 H new ATOM 204 N GLU A 26 2.425 5.298 -1.412 1.00 0.00 N ATOM 205 CA GLU A 26 3.321 4.114 -1.284 1.00 0.00 C ATOM 206 C GLU A 26 3.874 3.740 -2.661 1.00 0.00 C ATOM 207 O GLU A 26 3.147 3.312 -3.536 1.00 0.00 O ATOM 208 CB GLU A 26 2.527 2.935 -0.716 1.00 0.00 C ATOM 209 CG GLU A 26 1.493 2.472 -1.745 1.00 0.00 C ATOM 210 CD GLU A 26 0.263 1.919 -1.023 1.00 0.00 C ATOM 211 OE1 GLU A 26 0.441 1.252 -0.016 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.836 2.170 -1.490 1.00 0.00 O ATOM 0 H GLU A 26 1.465 5.088 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 26 4.147 4.354 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.201 2.115 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.029 3.229 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.206 3.305 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.924 1.706 -2.389 1.00 0.00 H new ATOM 219 N MET A 27 5.154 3.899 -2.863 1.00 0.00 N ATOM 220 CA MET A 27 5.747 3.552 -4.185 1.00 0.00 C ATOM 221 C MET A 27 6.194 2.084 -4.177 1.00 0.00 C ATOM 222 O MET A 27 6.715 1.602 -3.187 1.00 0.00 O ATOM 223 CB MET A 27 6.954 4.453 -4.457 1.00 0.00 C ATOM 224 CG MET A 27 6.550 5.917 -4.272 1.00 0.00 C ATOM 225 SD MET A 27 6.023 6.603 -5.863 1.00 0.00 S ATOM 226 CE MET A 27 4.345 5.926 -5.856 1.00 0.00 C ATOM 0 H MET A 27 5.813 4.254 -2.170 1.00 0.00 H new ATOM 0 HA MET A 27 5.002 3.700 -4.966 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.769 4.201 -3.779 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.321 4.291 -5.471 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.741 5.993 -3.545 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.389 6.490 -3.877 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.651 6.670 -6.246 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.310 5.034 -6.482 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.062 5.665 -4.836 1.00 0.00 H new ATOM 236 N PRO A 28 5.982 1.418 -5.287 1.00 0.00 N ATOM 237 CA PRO A 28 6.349 -0.001 -5.438 1.00 0.00 C ATOM 238 C PRO A 28 7.864 -0.140 -5.561 1.00 0.00 C ATOM 239 O PRO A 28 8.409 -1.223 -5.477 1.00 0.00 O ATOM 240 CB PRO A 28 5.636 -0.427 -6.726 1.00 0.00 C ATOM 241 CG PRO A 28 5.366 0.871 -7.521 1.00 0.00 C ATOM 242 CD PRO A 28 5.376 2.019 -6.494 1.00 0.00 C ATOM 0 HA PRO A 28 6.060 -0.618 -4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.254 -1.115 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.704 -0.946 -6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.129 1.025 -8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.407 0.819 -8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.958 2.868 -6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.369 2.384 -6.295 1.00 0.00 H new ATOM 250 N ASP A 29 8.550 0.953 -5.740 1.00 0.00 N ATOM 251 CA ASP A 29 10.029 0.889 -5.844 1.00 0.00 C ATOM 252 C ASP A 29 10.625 0.958 -4.435 1.00 0.00 C ATOM 253 O ASP A 29 11.811 1.152 -4.269 1.00 0.00 O ATOM 254 CB ASP A 29 10.544 2.062 -6.684 1.00 0.00 C ATOM 255 CG ASP A 29 9.776 3.334 -6.323 1.00 0.00 C ATOM 256 OD1 ASP A 29 8.699 3.525 -6.860 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.281 4.097 -5.516 1.00 0.00 O ATOM 0 H ASP A 29 8.148 1.887 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 29 10.325 -0.043 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.610 2.207 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.424 1.842 -7.745 1.00 0.00 H new ATOM 262 N LYS A 30 9.795 0.798 -3.426 1.00 0.00 N ATOM 263 CA LYS A 30 10.262 0.844 -2.014 1.00 0.00 C ATOM 264 C LYS A 30 10.305 2.294 -1.539 1.00 0.00 C ATOM 265 O LYS A 30 11.353 2.829 -1.237 1.00 0.00 O ATOM 266 CB LYS A 30 11.649 0.223 -1.901 1.00 0.00 C ATOM 267 CG LYS A 30 11.666 -1.132 -2.614 1.00 0.00 C ATOM 268 CD LYS A 30 13.027 -1.344 -3.280 1.00 0.00 C ATOM 269 CE LYS A 30 12.830 -1.602 -4.774 1.00 0.00 C ATOM 270 NZ LYS A 30 13.926 -2.479 -5.274 1.00 0.00 N ATOM 0 H LYS A 30 8.794 0.634 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 30 9.571 0.278 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.392 0.887 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.917 0.097 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.470 -1.932 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.874 -1.171 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.657 -0.467 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.542 -2.187 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.863 -2.074 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.827 -0.659 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.793 -2.655 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.842 -2.011 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.909 -3.383 -4.761 1.00 0.00 H new ATOM 284 N THR A 31 9.170 2.937 -1.472 1.00 0.00 N ATOM 285 CA THR A 31 9.149 4.352 -1.018 1.00 0.00 C ATOM 286 C THR A 31 7.822 4.657 -0.319 1.00 0.00 C ATOM 287 O THR A 31 6.924 3.840 -0.282 1.00 0.00 O ATOM 288 CB THR A 31 9.313 5.269 -2.227 1.00 0.00 C ATOM 289 OG1 THR A 31 10.001 4.571 -3.254 1.00 0.00 O ATOM 290 CG2 THR A 31 10.110 6.511 -1.829 1.00 0.00 C ATOM 0 H THR A 31 8.260 2.543 -1.712 1.00 0.00 H new ATOM 0 HA THR A 31 9.966 4.519 -0.316 1.00 0.00 H new ATOM 0 HB THR A 31 8.331 5.575 -2.587 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.804 4.986 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.225 7.163 -2.695 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.581 7.046 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.094 6.212 -1.467 1.00 0.00 H new ATOM 298 N PHE A 32 7.697 5.832 0.236 1.00 0.00 N ATOM 299 CA PHE A 32 6.436 6.206 0.937 1.00 0.00 C ATOM 300 C PHE A 32 6.405 7.725 1.118 1.00 0.00 C ATOM 301 O PHE A 32 7.434 8.365 1.192 1.00 0.00 O ATOM 302 CB PHE A 32 6.391 5.526 2.306 1.00 0.00 C ATOM 303 CG PHE A 32 5.457 4.340 2.249 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.078 4.529 2.392 1.00 0.00 C ATOM 305 CD2 PHE A 32 5.972 3.052 2.053 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.212 3.430 2.339 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.105 1.954 2.000 1.00 0.00 C ATOM 308 CZ PHE A 32 3.726 2.143 2.143 1.00 0.00 C ATOM 0 H PHE A 32 8.419 6.553 0.234 1.00 0.00 H new ATOM 0 HA PHE A 32 5.575 5.885 0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.390 5.202 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.053 6.233 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.682 5.522 2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.036 2.906 1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.148 3.575 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.501 0.961 1.849 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.058 1.295 2.102 1.00 0.00 H new ATOM 318 N GLU A 33 5.241 8.313 1.187 1.00 0.00 N ATOM 319 CA GLU A 33 5.181 9.791 1.357 1.00 0.00 C ATOM 320 C GLU A 33 3.811 10.214 1.893 1.00 0.00 C ATOM 321 O GLU A 33 2.916 10.548 1.141 1.00 0.00 O ATOM 322 CB GLU A 33 5.430 10.466 0.007 1.00 0.00 C ATOM 323 CG GLU A 33 6.561 11.486 0.149 1.00 0.00 C ATOM 324 CD GLU A 33 7.207 11.727 -1.217 1.00 0.00 C ATOM 325 OE1 GLU A 33 7.630 10.761 -1.829 1.00 0.00 O ATOM 326 OE2 GLU A 33 7.268 12.875 -1.627 1.00 0.00 O ATOM 0 H GLU A 33 4.339 7.839 1.134 1.00 0.00 H new ATOM 0 HA GLU A 33 5.946 10.095 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.691 9.719 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.522 10.960 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.172 12.422 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.306 11.122 0.856 1.00 0.00 H new ATOM 333 N CYS A 34 3.650 10.230 3.188 1.00 0.00 N ATOM 334 CA CYS A 34 2.350 10.662 3.773 1.00 0.00 C ATOM 335 C CYS A 34 2.051 12.077 3.268 1.00 0.00 C ATOM 336 O CYS A 34 2.523 13.056 3.813 1.00 0.00 O ATOM 337 CB CYS A 34 2.476 10.657 5.300 1.00 0.00 C ATOM 338 SG CYS A 34 0.930 11.204 6.067 1.00 0.00 S ATOM 0 H CYS A 34 4.363 9.962 3.866 1.00 0.00 H new ATOM 0 HA CYS A 34 1.542 9.991 3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.726 9.654 5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.292 11.312 5.605 1.00 0.00 H new ATOM 343 N LEU A 35 1.300 12.189 2.204 1.00 0.00 N ATOM 344 CA LEU A 35 1.000 13.534 1.631 1.00 0.00 C ATOM 345 C LEU A 35 -0.064 14.265 2.454 1.00 0.00 C ATOM 346 O LEU A 35 -0.570 15.289 2.041 1.00 0.00 O ATOM 347 CB LEU A 35 0.500 13.370 0.194 1.00 0.00 C ATOM 348 CG LEU A 35 -0.563 12.270 0.146 1.00 0.00 C ATOM 349 CD1 LEU A 35 -1.745 12.738 -0.704 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.041 11.006 -0.473 1.00 0.00 C ATOM 0 H LEU A 35 0.880 11.404 1.706 1.00 0.00 H new ATOM 0 HA LEU A 35 1.915 14.126 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.082 14.310 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.331 13.117 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.907 12.053 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.502 11.954 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.175 13.639 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.402 12.955 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.715 10.221 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.384 11.224 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.884 10.671 0.132 1.00 0.00 H new ATOM 362 N PHE A 36 -0.408 13.775 3.613 1.00 0.00 N ATOM 363 CA PHE A 36 -1.433 14.488 4.426 1.00 0.00 C ATOM 364 C PHE A 36 -1.069 15.975 4.481 1.00 0.00 C ATOM 365 O PHE A 36 0.095 16.319 4.530 1.00 0.00 O ATOM 366 CB PHE A 36 -1.446 13.905 5.838 1.00 0.00 C ATOM 367 CG PHE A 36 -2.273 14.774 6.754 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.747 15.971 7.253 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.559 14.368 7.124 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.506 16.759 8.124 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.320 15.159 7.991 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.794 16.354 8.494 1.00 0.00 C ATOM 0 H PHE A 36 -0.030 12.923 4.028 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.420 14.369 3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.854 12.894 5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.427 13.830 6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.755 16.286 6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.965 13.444 6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.098 17.681 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.315 14.847 8.273 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.380 16.963 9.166 1.00 0.00 H new ATOM 382 N PRO A 37 -2.073 16.815 4.463 1.00 0.00 N ATOM 383 CA PRO A 37 -1.875 18.275 4.502 1.00 0.00 C ATOM 384 C PRO A 37 -1.472 18.720 5.905 1.00 0.00 C ATOM 385 O PRO A 37 -2.295 18.910 6.777 1.00 0.00 O ATOM 386 CB PRO A 37 -3.238 18.837 4.094 1.00 0.00 C ATOM 387 CG PRO A 37 -4.271 17.722 4.381 1.00 0.00 C ATOM 388 CD PRO A 37 -3.488 16.394 4.409 1.00 0.00 C ATOM 0 HA PRO A 37 -1.077 18.623 3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.472 19.739 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.245 19.112 3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.774 17.895 5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.043 17.701 3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.758 15.790 5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.692 15.792 3.524 1.00 0.00 H new ATOM 396 N GLY A 38 -0.198 18.868 6.118 1.00 0.00 N ATOM 397 CA GLY A 38 0.309 19.275 7.453 1.00 0.00 C ATOM 398 C GLY A 38 1.433 18.315 7.837 1.00 0.00 C ATOM 399 O GLY A 38 2.200 18.563 8.746 1.00 0.00 O ATOM 0 H GLY A 38 0.524 18.722 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.675 20.301 7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.491 19.242 8.192 1.00 0.00 H new ATOM 403 N CYS A 39 1.532 17.212 7.137 1.00 0.00 N ATOM 404 CA CYS A 39 2.601 16.219 7.439 1.00 0.00 C ATOM 405 C CYS A 39 3.939 16.718 6.884 1.00 0.00 C ATOM 406 O CYS A 39 3.991 17.656 6.113 1.00 0.00 O ATOM 407 CB CYS A 39 2.253 14.889 6.773 1.00 0.00 C ATOM 408 SG CYS A 39 3.250 13.567 7.500 1.00 0.00 S ATOM 0 H CYS A 39 0.914 16.958 6.366 1.00 0.00 H new ATOM 0 HA CYS A 39 2.679 16.088 8.518 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.193 14.672 6.903 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.437 14.949 5.700 1.00 0.00 H new ATOM 413 N THR A 40 5.021 16.091 7.262 1.00 0.00 N ATOM 414 CA THR A 40 6.351 16.522 6.748 1.00 0.00 C ATOM 415 C THR A 40 7.353 15.370 6.892 1.00 0.00 C ATOM 416 O THR A 40 8.535 15.585 7.066 1.00 0.00 O ATOM 417 CB THR A 40 6.842 17.730 7.551 1.00 0.00 C ATOM 418 OG1 THR A 40 7.950 18.320 6.885 1.00 0.00 O ATOM 419 CG2 THR A 40 7.267 17.280 8.950 1.00 0.00 C ATOM 0 H THR A 40 5.040 15.299 7.905 1.00 0.00 H new ATOM 0 HA THR A 40 6.262 16.797 5.697 1.00 0.00 H new ATOM 0 HB THR A 40 6.037 18.460 7.637 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.610 17.628 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.616 18.142 9.519 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.417 16.828 9.461 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.072 16.549 8.868 1.00 0.00 H new ATOM 427 N LYS A 41 6.890 14.149 6.825 1.00 0.00 N ATOM 428 CA LYS A 41 7.824 12.994 6.963 1.00 0.00 C ATOM 429 C LYS A 41 7.530 11.951 5.879 1.00 0.00 C ATOM 430 O LYS A 41 6.402 11.772 5.465 1.00 0.00 O ATOM 431 CB LYS A 41 7.642 12.356 8.342 1.00 0.00 C ATOM 432 CG LYS A 41 8.995 12.273 9.051 1.00 0.00 C ATOM 433 CD LYS A 41 8.929 11.213 10.153 1.00 0.00 C ATOM 434 CE LYS A 41 8.199 11.786 11.369 1.00 0.00 C ATOM 435 NZ LYS A 41 9.186 12.413 12.291 1.00 0.00 N ATOM 0 H LYS A 41 5.911 13.903 6.681 1.00 0.00 H new ATOM 0 HA LYS A 41 8.849 13.348 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.944 12.945 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.212 11.360 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.778 12.021 8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.254 13.242 9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.410 10.326 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.935 10.901 10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.463 12.524 11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.654 10.996 11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.690 12.803 13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.872 11.697 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.687 13.178 11.795 1.00 0.00 H new ATOM 449 N THR A 42 8.539 11.257 5.424 1.00 0.00 N ATOM 450 CA THR A 42 8.325 10.217 4.374 1.00 0.00 C ATOM 451 C THR A 42 8.979 8.907 4.817 1.00 0.00 C ATOM 452 O THR A 42 9.690 8.861 5.802 1.00 0.00 O ATOM 453 CB THR A 42 8.950 10.676 3.057 1.00 0.00 C ATOM 454 OG1 THR A 42 10.363 10.542 3.131 1.00 0.00 O ATOM 455 CG2 THR A 42 8.585 12.137 2.794 1.00 0.00 C ATOM 0 H THR A 42 9.505 11.365 5.735 1.00 0.00 H new ATOM 0 HA THR A 42 7.255 10.064 4.231 1.00 0.00 H new ATOM 0 HB THR A 42 8.569 10.060 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.764 10.835 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.033 12.460 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.501 12.236 2.733 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.961 12.758 3.607 1.00 0.00 H new ATOM 463 N PHE A 43 8.747 7.841 4.101 1.00 0.00 N ATOM 464 CA PHE A 43 9.358 6.538 4.491 1.00 0.00 C ATOM 465 C PHE A 43 9.625 5.699 3.240 1.00 0.00 C ATOM 466 O PHE A 43 9.457 6.157 2.126 1.00 0.00 O ATOM 467 CB PHE A 43 8.398 5.791 5.417 1.00 0.00 C ATOM 468 CG PHE A 43 7.686 6.785 6.302 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.678 7.598 5.769 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.035 6.897 7.653 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.020 8.523 6.588 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.376 7.822 8.471 1.00 0.00 C ATOM 473 CZ PHE A 43 6.369 8.635 7.938 1.00 0.00 C ATOM 0 H PHE A 43 8.163 7.815 3.265 1.00 0.00 H new ATOM 0 HA PHE A 43 10.301 6.716 5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.674 5.225 4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.947 5.072 6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.408 7.511 4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.812 6.270 8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.243 9.150 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.645 7.908 9.514 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.861 9.349 8.569 1.00 0.00 H new ATOM 483 N LYS A 44 10.046 4.476 3.412 1.00 0.00 N ATOM 484 CA LYS A 44 10.328 3.613 2.230 1.00 0.00 C ATOM 485 C LYS A 44 10.043 2.151 2.581 1.00 0.00 C ATOM 486 O LYS A 44 10.582 1.612 3.526 1.00 0.00 O ATOM 487 CB LYS A 44 11.797 3.763 1.832 1.00 0.00 C ATOM 488 CG LYS A 44 12.659 3.855 3.092 1.00 0.00 C ATOM 489 CD LYS A 44 14.121 3.577 2.735 1.00 0.00 C ATOM 490 CE LYS A 44 14.399 2.077 2.848 1.00 0.00 C ATOM 491 NZ LYS A 44 15.644 1.859 3.638 1.00 0.00 N ATOM 0 H LYS A 44 10.207 4.037 4.319 1.00 0.00 H new ATOM 0 HA LYS A 44 9.690 3.916 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.109 2.913 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.930 4.656 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.565 4.845 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.313 3.137 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.331 3.921 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.781 4.131 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.559 1.576 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.505 1.640 1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.832 0.839 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.443 2.324 3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.526 2.262 4.590 1.00 0.00 H new ATOM 505 N ARG A 45 9.199 1.505 1.821 1.00 0.00 N ATOM 506 CA ARG A 45 8.879 0.078 2.106 1.00 0.00 C ATOM 507 C ARG A 45 8.680 -0.113 3.611 1.00 0.00 C ATOM 508 O ARG A 45 9.324 -0.936 4.232 1.00 0.00 O ATOM 509 CB ARG A 45 10.033 -0.807 1.627 1.00 0.00 C ATOM 510 CG ARG A 45 9.472 -2.022 0.886 1.00 0.00 C ATOM 511 CD ARG A 45 9.989 -3.303 1.542 1.00 0.00 C ATOM 512 NE ARG A 45 10.451 -4.249 0.488 1.00 0.00 N ATOM 513 CZ ARG A 45 11.364 -5.139 0.764 1.00 0.00 C ATOM 514 NH1 ARG A 45 12.426 -4.797 1.442 1.00 0.00 N ATOM 515 NH2 ARG A 45 11.215 -6.372 0.363 1.00 0.00 N ATOM 0 H ARG A 45 8.718 1.905 1.015 1.00 0.00 H new ATOM 0 HA ARG A 45 7.964 -0.200 1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.692 -0.239 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.633 -1.132 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.382 -2.004 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.770 -1.992 -0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.809 -3.071 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.201 -3.763 2.138 1.00 0.00 H new ATOM 0 HE ARG A 45 10.053 -4.201 -0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.542 -3.834 1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.140 -5.493 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.385 -6.639 -0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.929 -7.068 0.579 1.00 0.00 H new ATOM 529 N ARG A 46 7.795 0.641 4.203 1.00 0.00 N ATOM 530 CA ARG A 46 7.559 0.500 5.667 1.00 0.00 C ATOM 531 C ARG A 46 6.055 0.519 5.946 1.00 0.00 C ATOM 532 O ARG A 46 5.329 1.348 5.435 1.00 0.00 O ATOM 533 CB ARG A 46 8.229 1.661 6.406 1.00 0.00 C ATOM 534 CG ARG A 46 9.341 1.119 7.307 1.00 0.00 C ATOM 535 CD ARG A 46 10.701 1.527 6.739 1.00 0.00 C ATOM 536 NE ARG A 46 11.779 1.091 7.670 1.00 0.00 N ATOM 537 CZ ARG A 46 12.396 -0.042 7.471 1.00 0.00 C ATOM 538 NH1 ARG A 46 11.805 -1.167 7.769 1.00 0.00 N ATOM 539 NH2 ARG A 46 13.602 -0.050 6.974 1.00 0.00 N ATOM 0 H ARG A 46 7.226 1.348 3.737 1.00 0.00 H new ATOM 0 HA ARG A 46 7.981 -0.444 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.641 2.372 5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.493 2.199 7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.226 1.508 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.273 0.033 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.848 1.075 5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.740 2.608 6.601 1.00 0.00 H new ATOM 0 HE ARG A 46 12.035 1.678 8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.862 -1.160 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.286 -2.053 7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.063 0.829 6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.084 -0.936 6.819 1.00 0.00 H new ATOM 553 N TYR A 47 5.581 -0.384 6.759 1.00 0.00 N ATOM 554 CA TYR A 47 4.125 -0.415 7.077 1.00 0.00 C ATOM 555 C TYR A 47 3.920 0.212 8.444 1.00 0.00 C ATOM 556 O TYR A 47 2.948 -0.054 9.122 1.00 0.00 O ATOM 557 CB TYR A 47 3.600 -1.857 7.127 1.00 0.00 C ATOM 558 CG TYR A 47 4.727 -2.830 6.897 1.00 0.00 C ATOM 559 CD1 TYR A 47 5.312 -2.931 5.634 1.00 0.00 C ATOM 560 CD2 TYR A 47 5.187 -3.626 7.953 1.00 0.00 C ATOM 561 CE1 TYR A 47 6.362 -3.832 5.418 1.00 0.00 C ATOM 562 CE2 TYR A 47 6.237 -4.528 7.740 1.00 0.00 C ATOM 563 CZ TYR A 47 6.823 -4.632 6.472 1.00 0.00 C ATOM 564 OH TYR A 47 7.856 -5.522 6.259 1.00 0.00 O ATOM 0 H TYR A 47 6.140 -1.103 7.218 1.00 0.00 H new ATOM 0 HA TYR A 47 3.586 0.129 6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.136 -2.049 8.094 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.829 -1.997 6.370 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.955 -2.314 4.823 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.733 -3.545 8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.816 -3.910 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.595 -5.143 8.553 1.00 0.00 H new ATOM 0 HH TYR A 47 8.055 -5.998 7.092 1.00 0.00 H new ATOM 574 N ASN A 48 4.821 1.050 8.853 1.00 0.00 N ATOM 575 CA ASN A 48 4.664 1.695 10.170 1.00 0.00 C ATOM 576 C ASN A 48 4.161 3.105 9.921 1.00 0.00 C ATOM 577 O ASN A 48 3.221 3.572 10.533 1.00 0.00 O ATOM 578 CB ASN A 48 6.011 1.738 10.896 1.00 0.00 C ATOM 579 CG ASN A 48 6.401 0.325 11.333 1.00 0.00 C ATOM 580 OD1 ASN A 48 6.527 0.055 12.511 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.595 -0.595 10.429 1.00 0.00 N ATOM 0 H ASN A 48 5.657 1.314 8.331 1.00 0.00 H new ATOM 0 HA ASN A 48 3.964 1.139 10.793 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.777 2.151 10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.947 2.394 11.764 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.852 -1.541 10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.489 -0.369 9.440 1.00 0.00 H new ATOM 588 N ILE A 49 4.779 3.772 8.992 1.00 0.00 N ATOM 589 CA ILE A 49 4.348 5.152 8.648 1.00 0.00 C ATOM 590 C ILE A 49 2.817 5.165 8.555 1.00 0.00 C ATOM 591 O ILE A 49 2.172 6.128 8.920 1.00 0.00 O ATOM 592 CB ILE A 49 4.995 5.603 7.307 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.947 6.223 6.374 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.650 4.419 6.585 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.079 5.120 5.761 1.00 0.00 C ATOM 0 H ILE A 49 5.569 3.419 8.452 1.00 0.00 H new ATOM 0 HA ILE A 49 4.673 5.853 9.417 1.00 0.00 H new ATOM 0 HB ILE A 49 5.754 6.346 7.552 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.323 6.924 6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.440 6.791 5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.094 4.763 5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.426 3.990 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.896 3.661 6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.337 5.567 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.708 4.436 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.573 4.571 6.555 1.00 0.00 H new ATOM 607 N ARG A 50 2.232 4.100 8.076 1.00 0.00 N ATOM 608 CA ARG A 50 0.747 4.061 7.974 1.00 0.00 C ATOM 609 C ARG A 50 0.156 4.326 9.357 1.00 0.00 C ATOM 610 O ARG A 50 -0.672 5.196 9.534 1.00 0.00 O ATOM 611 CB ARG A 50 0.301 2.682 7.479 1.00 0.00 C ATOM 612 CG ARG A 50 -0.592 2.844 6.247 1.00 0.00 C ATOM 613 CD ARG A 50 0.242 2.638 4.981 1.00 0.00 C ATOM 614 NE ARG A 50 -0.652 2.245 3.855 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.456 1.225 3.984 1.00 0.00 C ATOM 616 NH1 ARG A 50 -0.991 0.010 3.884 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.726 1.421 4.212 1.00 0.00 N ATOM 0 H ARG A 50 2.715 3.262 7.753 1.00 0.00 H new ATOM 0 HA ARG A 50 0.402 4.819 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.171 2.074 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.241 2.159 8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.408 2.122 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.044 3.836 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.777 3.555 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.993 1.866 5.149 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.635 2.774 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.001 -0.143 3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.620 -0.787 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.090 2.371 4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.355 0.624 4.313 1.00 0.00 H new ATOM 631 N SER A 51 0.590 3.590 10.341 1.00 0.00 N ATOM 632 CA SER A 51 0.070 3.808 11.717 1.00 0.00 C ATOM 633 C SER A 51 0.462 5.212 12.176 1.00 0.00 C ATOM 634 O SER A 51 -0.134 5.773 13.074 1.00 0.00 O ATOM 635 CB SER A 51 0.680 2.771 12.660 1.00 0.00 C ATOM 636 OG SER A 51 -0.195 2.562 13.760 1.00 0.00 O ATOM 0 H SER A 51 1.283 2.847 10.251 1.00 0.00 H new ATOM 0 HA SER A 51 -1.015 3.707 11.726 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.846 1.833 12.129 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.653 3.113 13.014 1.00 0.00 H new ATOM 0 HG SER A 51 0.194 1.896 14.365 1.00 0.00 H new ATOM 642 N HIS A 52 1.462 5.784 11.562 1.00 0.00 N ATOM 643 CA HIS A 52 1.893 7.154 11.957 1.00 0.00 C ATOM 644 C HIS A 52 0.784 8.143 11.593 1.00 0.00 C ATOM 645 O HIS A 52 0.462 9.034 12.355 1.00 0.00 O ATOM 646 CB HIS A 52 3.223 7.500 11.237 1.00 0.00 C ATOM 647 CG HIS A 52 3.145 8.858 10.577 1.00 0.00 C ATOM 648 ND1 HIS A 52 3.930 9.926 10.980 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.338 9.340 9.580 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.569 10.992 10.239 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.600 10.688 9.371 1.00 0.00 N ATOM 0 H HIS A 52 1.998 5.361 10.804 1.00 0.00 H new ATOM 0 HA HIS A 52 2.067 7.210 13.032 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.043 7.487 11.955 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.443 6.740 10.488 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.648 9.909 11.704 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.607 8.759 9.038 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.010 11.973 10.335 1.00 0.00 H new ATOM 659 N ILE A 53 0.193 7.994 10.445 1.00 0.00 N ATOM 660 CA ILE A 53 -0.895 8.929 10.059 1.00 0.00 C ATOM 661 C ILE A 53 -2.054 8.736 11.026 1.00 0.00 C ATOM 662 O ILE A 53 -2.485 9.659 11.683 1.00 0.00 O ATOM 663 CB ILE A 53 -1.375 8.623 8.634 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.189 8.581 7.670 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.341 9.713 8.184 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.702 8.526 6.229 1.00 0.00 C ATOM 0 H ILE A 53 0.414 7.270 9.761 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.528 9.955 10.095 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.872 7.653 8.631 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.438 9.461 7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.432 7.710 7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.685 9.500 7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.196 9.742 8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.834 10.678 8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.144 8.496 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.311 7.632 6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.305 9.410 6.023 1.00 0.00 H new ATOM 678 N GLN A 54 -2.548 7.533 11.117 1.00 0.00 N ATOM 679 CA GLN A 54 -3.682 7.250 12.039 1.00 0.00 C ATOM 680 C GLN A 54 -3.489 8.022 13.338 1.00 0.00 C ATOM 681 O GLN A 54 -4.442 8.395 13.992 1.00 0.00 O ATOM 682 CB GLN A 54 -3.736 5.751 12.340 1.00 0.00 C ATOM 683 CG GLN A 54 -5.038 5.163 11.794 1.00 0.00 C ATOM 684 CD GLN A 54 -4.716 4.010 10.841 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.297 2.947 10.937 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.807 4.175 9.920 1.00 0.00 N ATOM 0 H GLN A 54 -2.212 6.728 10.588 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.615 7.560 11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.881 5.248 11.888 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.673 5.583 13.415 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.661 4.808 12.614 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.607 5.933 11.272 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.319 5.067 9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.584 3.412 9.281 1.00 0.00 H new ATOM 695 N THR A 55 -2.270 8.278 13.718 1.00 0.00 N ATOM 696 CA THR A 55 -2.057 9.040 14.971 1.00 0.00 C ATOM 697 C THR A 55 -2.308 10.517 14.696 1.00 0.00 C ATOM 698 O THR A 55 -3.058 11.169 15.394 1.00 0.00 O ATOM 699 CB THR A 55 -0.624 8.837 15.470 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.488 7.521 15.987 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.320 9.854 16.571 1.00 0.00 C ATOM 0 H THR A 55 -1.425 7.996 13.222 1.00 0.00 H new ATOM 0 HA THR A 55 -2.745 8.686 15.739 1.00 0.00 H new ATOM 0 HB THR A 55 0.074 8.977 14.645 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.429 7.388 16.306 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.700 9.711 16.927 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.427 10.863 16.174 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.016 9.714 17.398 1.00 0.00 H new ATOM 709 N HIS A 56 -1.696 11.051 13.680 1.00 0.00 N ATOM 710 CA HIS A 56 -1.914 12.477 13.369 1.00 0.00 C ATOM 711 C HIS A 56 -3.028 12.602 12.332 1.00 0.00 C ATOM 712 O HIS A 56 -3.159 13.597 11.647 1.00 0.00 O ATOM 713 CB HIS A 56 -0.590 13.099 12.917 1.00 0.00 C ATOM 714 CG HIS A 56 -0.392 13.109 11.423 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.921 14.096 10.604 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.436 12.372 10.629 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.373 13.933 9.381 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.462 12.894 9.343 1.00 0.00 N ATOM 0 H HIS A 56 -1.057 10.559 13.056 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.241 13.029 14.250 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.538 14.123 13.286 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.232 12.551 13.378 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.597 14.810 10.875 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.992 11.505 10.954 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.586 14.569 8.534 1.00 0.00 H new ATOM 726 N LEU A 57 -3.864 11.595 12.255 1.00 0.00 N ATOM 727 CA LEU A 57 -5.017 11.631 11.316 1.00 0.00 C ATOM 728 C LEU A 57 -6.271 11.099 12.026 1.00 0.00 C ATOM 729 O LEU A 57 -7.377 11.288 11.559 1.00 0.00 O ATOM 730 CB LEU A 57 -4.732 10.775 10.080 1.00 0.00 C ATOM 731 CG LEU A 57 -4.434 11.693 8.897 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.660 12.560 8.604 1.00 0.00 C ATOM 733 CD2 LEU A 57 -3.242 12.586 9.250 1.00 0.00 C ATOM 0 H LEU A 57 -3.792 10.743 12.811 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.178 12.662 10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.885 10.115 10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.589 10.139 9.857 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.198 11.098 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.448 13.216 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.509 11.920 8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.897 13.163 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.021 13.246 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.483 13.184 10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.372 11.965 9.462 1.00 0.00 H new ATOM 745 N GLU A 58 -6.119 10.436 13.150 1.00 0.00 N ATOM 746 CA GLU A 58 -7.314 9.911 13.863 1.00 0.00 C ATOM 747 C GLU A 58 -7.443 10.605 15.221 1.00 0.00 C ATOM 748 O GLU A 58 -7.238 10.004 16.258 1.00 0.00 O ATOM 749 CB GLU A 58 -7.165 8.403 14.073 1.00 0.00 C ATOM 750 CG GLU A 58 -8.484 7.831 14.598 1.00 0.00 C ATOM 751 CD GLU A 58 -8.553 6.334 14.289 1.00 0.00 C ATOM 752 OE1 GLU A 58 -7.564 5.656 14.518 1.00 0.00 O ATOM 753 OE2 GLU A 58 -9.592 5.892 13.830 1.00 0.00 O ATOM 0 H GLU A 58 -5.223 10.240 13.597 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.206 10.107 13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.894 7.919 13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.361 8.201 14.780 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.561 7.995 15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.326 8.347 14.136 1.00 0.00 H new ATOM 760 N ASP A 59 -7.781 11.866 15.226 1.00 0.00 N ATOM 761 CA ASP A 59 -7.921 12.594 16.518 1.00 0.00 C ATOM 762 C ASP A 59 -9.259 13.338 16.544 1.00 0.00 C ATOM 763 O ASP A 59 -9.328 14.497 16.899 1.00 0.00 O ATOM 764 CB ASP A 59 -6.776 13.599 16.666 1.00 0.00 C ATOM 765 CG ASP A 59 -6.679 14.051 18.125 1.00 0.00 C ATOM 766 OD1 ASP A 59 -7.498 13.612 18.916 1.00 0.00 O ATOM 767 OD2 ASP A 59 -5.788 14.828 18.425 1.00 0.00 O ATOM 0 H ASP A 59 -7.966 12.423 14.391 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.886 11.880 17.341 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.836 13.145 16.352 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.947 14.459 16.018 1.00 0.00 H new ATOM 772 N ARG A 60 -10.322 12.679 16.171 1.00 0.00 N ATOM 773 CA ARG A 60 -11.652 13.351 16.176 1.00 0.00 C ATOM 774 C ARG A 60 -11.676 14.442 15.104 1.00 0.00 C ATOM 775 O ARG A 60 -11.168 15.518 15.370 1.00 0.00 O ATOM 776 CB ARG A 60 -11.901 13.980 17.550 1.00 0.00 C ATOM 777 CG ARG A 60 -13.197 13.421 18.140 1.00 0.00 C ATOM 778 CD ARG A 60 -13.936 14.531 18.891 1.00 0.00 C ATOM 779 NE ARG A 60 -15.219 14.832 18.197 1.00 0.00 N ATOM 780 CZ ARG A 60 -15.409 16.005 17.656 1.00 0.00 C ATOM 781 NH1 ARG A 60 -15.643 17.042 18.412 1.00 0.00 N ATOM 782 NH2 ARG A 60 -15.362 16.140 16.359 1.00 0.00 N ATOM 783 OXT ARG A 60 -12.202 14.181 14.034 1.00 0.00 O ATOM 0 H ARG A 60 -10.327 11.706 15.864 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.430 12.618 15.966 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.065 13.768 18.216 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.968 15.064 17.459 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.828 13.022 17.346 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.975 12.595 18.816 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.130 14.223 19.918 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.317 15.427 18.938 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.949 14.122 18.144 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.678 16.937 19.426 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.791 17.958 17.989 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.177 15.329 15.768 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.510 17.056 15.936 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.720 11.967 8.095 1.00 0.00 ZN