USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Set 1.1: A 27 MET CE :methyl -123:sc= -4.23! (180deg=-7.97!) USER MOD Set 1.2: A 31 THR OG1 : rot 119:sc= -1.69 USER MOD Single : A 14 THR OG1 : rot -24:sc= 0.159 USER MOD Single : A 19 SER OG : rot 162:sc= 0.221 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc=-0.00292 (180deg=-0.148) 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 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0399) USER MOD Single : A 40 THR OG1 : rot -29:sc= 0.0785! 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= -0.412 K(o=-0.41,f=-2.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -15.4! C(o=-15!,f=-9.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -17.843 7.877 13.020 1.00 0.00 N ATOM 2 CA THR A 14 -16.380 8.157 13.004 1.00 0.00 C ATOM 3 C THR A 14 -15.787 7.683 11.675 1.00 0.00 C ATOM 4 O THR A 14 -14.868 8.279 11.148 1.00 0.00 O ATOM 5 CB THR A 14 -15.705 7.415 14.158 1.00 0.00 C ATOM 6 OG1 THR A 14 -15.993 6.027 14.059 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.226 7.953 15.491 1.00 0.00 C ATOM 0 HA THR A 14 -16.213 9.228 13.116 1.00 0.00 H new ATOM 0 HB THR A 14 -14.627 7.568 14.106 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.825 5.901 13.556 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.743 7.422 16.311 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.003 9.017 15.566 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.304 7.804 15.547 1.00 0.00 H new ATOM 17 N LEU A 15 -16.302 6.616 11.130 1.00 0.00 N ATOM 18 CA LEU A 15 -15.765 6.108 9.837 1.00 0.00 C ATOM 19 C LEU A 15 -14.324 5.627 10.037 1.00 0.00 C ATOM 20 O LEU A 15 -13.395 6.403 9.935 1.00 0.00 O ATOM 21 CB LEU A 15 -15.787 7.233 8.800 1.00 0.00 C ATOM 22 CG LEU A 15 -15.521 6.651 7.411 1.00 0.00 C ATOM 23 CD1 LEU A 15 -16.746 5.865 6.944 1.00 0.00 C ATOM 24 CD2 LEU A 15 -15.240 7.791 6.428 1.00 0.00 C ATOM 0 H LEU A 15 -17.071 6.074 11.524 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.380 5.279 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.753 7.738 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.032 7.981 9.043 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.659 5.986 7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.556 5.450 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.947 5.055 7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.609 6.529 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.050 7.378 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.103 8.455 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.367 8.352 6.761 1.00 0.00 H new ATOM 36 N PRO A 16 -14.184 4.356 10.317 1.00 0.00 N ATOM 37 CA PRO A 16 -12.868 3.733 10.539 1.00 0.00 C ATOM 38 C PRO A 16 -12.167 3.468 9.203 1.00 0.00 C ATOM 39 O PRO A 16 -12.798 3.172 8.208 1.00 0.00 O ATOM 40 CB PRO A 16 -13.209 2.419 11.245 1.00 0.00 C ATOM 41 CG PRO A 16 -14.679 2.097 10.883 1.00 0.00 C ATOM 42 CD PRO A 16 -15.324 3.424 10.439 1.00 0.00 C ATOM 0 HA PRO A 16 -12.189 4.360 11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.545 1.619 10.919 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.087 2.515 12.324 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -14.728 1.356 10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -15.206 1.678 11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.852 3.313 9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.052 3.778 11.170 1.00 0.00 H new ATOM 50 N ARG A 17 -10.867 3.569 9.176 1.00 0.00 N ATOM 51 CA ARG A 17 -10.125 3.322 7.907 1.00 0.00 C ATOM 52 C ARG A 17 -10.741 4.164 6.787 1.00 0.00 C ATOM 53 O ARG A 17 -10.900 3.708 5.672 1.00 0.00 O ATOM 54 CB ARG A 17 -10.220 1.839 7.542 1.00 0.00 C ATOM 55 CG ARG A 17 -8.916 1.391 6.877 1.00 0.00 C ATOM 56 CD ARG A 17 -7.769 1.489 7.885 1.00 0.00 C ATOM 57 NE ARG A 17 -8.241 1.029 9.221 1.00 0.00 N ATOM 58 CZ ARG A 17 -7.905 -0.153 9.660 1.00 0.00 C ATOM 59 NH1 ARG A 17 -6.693 -0.598 9.474 1.00 0.00 N ATOM 60 NH2 ARG A 17 -8.783 -0.889 10.285 1.00 0.00 N ATOM 0 H ARG A 17 -10.286 3.812 9.978 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.078 3.598 8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.407 1.245 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.060 1.673 6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.012 0.366 6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.705 2.015 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.928 0.880 7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.413 2.517 7.948 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.827 1.638 9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.008 -0.022 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.431 -1.522 9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.730 -0.540 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.522 -1.813 10.629 1.00 0.00 H new ATOM 74 N GLY A 18 -11.090 5.388 7.076 1.00 0.00 N ATOM 75 CA GLY A 18 -11.695 6.257 6.027 1.00 0.00 C ATOM 76 C GLY A 18 -11.268 7.708 6.256 1.00 0.00 C ATOM 77 O GLY A 18 -11.948 8.635 5.861 1.00 0.00 O ATOM 0 H GLY A 18 -10.982 5.823 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.378 5.925 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.782 6.178 6.057 1.00 0.00 H new ATOM 81 N SER A 19 -10.145 7.911 6.889 1.00 0.00 N ATOM 82 CA SER A 19 -9.670 9.300 7.142 1.00 0.00 C ATOM 83 C SER A 19 -8.142 9.311 7.169 1.00 0.00 C ATOM 84 O SER A 19 -7.525 10.230 7.672 1.00 0.00 O ATOM 85 CB SER A 19 -10.209 9.788 8.486 1.00 0.00 C ATOM 86 OG SER A 19 -11.609 10.005 8.380 1.00 0.00 O ATOM 0 H SER A 19 -9.535 7.173 7.242 1.00 0.00 H new ATOM 0 HA SER A 19 -10.027 9.959 6.351 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.001 9.052 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.708 10.711 8.779 1.00 0.00 H new ATOM 0 HG SER A 19 -12.005 10.032 9.276 1.00 0.00 H new ATOM 92 N ILE A 20 -7.527 8.296 6.633 1.00 0.00 N ATOM 93 CA ILE A 20 -6.041 8.236 6.624 1.00 0.00 C ATOM 94 C ILE A 20 -5.570 7.704 5.276 1.00 0.00 C ATOM 95 O ILE A 20 -4.661 8.230 4.669 1.00 0.00 O ATOM 96 CB ILE A 20 -5.560 7.298 7.726 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.537 7.337 8.898 1.00 0.00 C ATOM 98 CG2 ILE A 20 -4.176 7.736 8.206 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.974 6.494 10.037 1.00 0.00 C ATOM 0 H ILE A 20 -7.993 7.500 6.198 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.636 9.234 6.792 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.505 6.283 7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.689 8.365 9.229 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.510 6.954 8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.835 7.064 8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.475 7.704 7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.231 8.753 8.595 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.664 6.515 10.880 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.844 5.466 9.699 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.010 6.898 10.347 1.00 0.00 H new ATOM 111 N ASP A 21 -6.189 6.660 4.809 1.00 0.00 N ATOM 112 CA ASP A 21 -5.795 6.075 3.495 1.00 0.00 C ATOM 113 C ASP A 21 -5.839 7.159 2.413 1.00 0.00 C ATOM 114 O ASP A 21 -5.283 7.003 1.343 1.00 0.00 O ATOM 115 CB ASP A 21 -6.761 4.947 3.129 1.00 0.00 C ATOM 116 CG ASP A 21 -6.144 3.602 3.515 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.636 3.500 4.619 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.190 2.695 2.699 1.00 0.00 O ATOM 0 H ASP A 21 -6.956 6.182 5.282 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.782 5.678 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.711 5.085 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.974 4.968 2.060 1.00 0.00 H new ATOM 123 N LYS A 22 -6.494 8.258 2.682 1.00 0.00 N ATOM 124 CA LYS A 22 -6.574 9.352 1.670 1.00 0.00 C ATOM 125 C LYS A 22 -5.307 10.216 1.731 1.00 0.00 C ATOM 126 O LYS A 22 -5.283 11.326 1.239 1.00 0.00 O ATOM 127 CB LYS A 22 -7.795 10.226 1.970 1.00 0.00 C ATOM 128 CG LYS A 22 -8.630 10.392 0.700 1.00 0.00 C ATOM 129 CD LYS A 22 -8.499 11.828 0.187 1.00 0.00 C ATOM 130 CE LYS A 22 -9.181 12.785 1.167 1.00 0.00 C ATOM 131 NZ LYS A 22 -10.660 12.671 1.022 1.00 0.00 N ATOM 0 H LYS A 22 -6.978 8.445 3.560 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.663 8.916 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.397 9.770 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.476 11.201 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.294 9.690 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.675 10.162 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.447 12.092 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.954 11.916 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.885 12.548 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.863 13.809 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.118 13.481 1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.910 12.665 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.985 11.788 1.465 1.00 0.00 H new ATOM 145 N TYR A 23 -4.256 9.720 2.329 1.00 0.00 N ATOM 146 CA TYR A 23 -3.001 10.519 2.414 1.00 0.00 C ATOM 147 C TYR A 23 -1.805 9.570 2.509 1.00 0.00 C ATOM 148 O TYR A 23 -0.896 9.779 3.288 1.00 0.00 O ATOM 149 CB TYR A 23 -3.045 11.408 3.657 1.00 0.00 C ATOM 150 CG TYR A 23 -3.883 12.628 3.369 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.674 13.355 2.191 1.00 0.00 C ATOM 152 CD2 TYR A 23 -4.869 13.033 4.277 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.451 14.487 1.921 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.646 14.165 4.006 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.437 14.892 2.828 1.00 0.00 C ATOM 156 OH TYR A 23 -6.204 16.007 2.561 1.00 0.00 O ATOM 0 H TYR A 23 -4.213 8.797 2.761 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.904 11.143 1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.464 10.856 4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.036 11.705 3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.913 13.042 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.030 12.472 5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.290 15.048 1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.407 14.478 4.706 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.842 16.148 3.292 1.00 0.00 H new ATOM 166 N VAL A 24 -1.800 8.526 1.728 1.00 0.00 N ATOM 167 CA VAL A 24 -0.666 7.564 1.779 1.00 0.00 C ATOM 168 C VAL A 24 -0.059 7.408 0.383 1.00 0.00 C ATOM 169 O VAL A 24 -0.694 6.917 -0.530 1.00 0.00 O ATOM 170 CB VAL A 24 -1.174 6.207 2.269 1.00 0.00 C ATOM 171 CG1 VAL A 24 -0.031 5.191 2.233 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.688 6.346 3.704 1.00 0.00 C ATOM 0 H VAL A 24 -2.533 8.298 1.056 1.00 0.00 H new ATOM 0 HA VAL A 24 0.096 7.938 2.463 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.983 5.866 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.393 4.224 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.337 5.094 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.778 5.531 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.051 5.380 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.878 6.686 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.502 7.071 3.730 1.00 0.00 H new ATOM 182 N LYS A 25 1.167 7.819 0.213 1.00 0.00 N ATOM 183 CA LYS A 25 1.817 7.693 -1.121 1.00 0.00 C ATOM 184 C LYS A 25 2.856 6.570 -1.074 1.00 0.00 C ATOM 185 O LYS A 25 4.042 6.812 -0.974 1.00 0.00 O ATOM 186 CB LYS A 25 2.506 9.011 -1.479 1.00 0.00 C ATOM 187 CG LYS A 25 2.787 9.051 -2.982 1.00 0.00 C ATOM 188 CD LYS A 25 4.037 9.892 -3.243 1.00 0.00 C ATOM 189 CE LYS A 25 3.640 11.186 -3.954 1.00 0.00 C ATOM 190 NZ LYS A 25 4.844 11.796 -4.586 1.00 0.00 N ATOM 0 H LYS A 25 1.747 8.237 0.941 1.00 0.00 H new ATOM 0 HA LYS A 25 1.064 7.462 -1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.874 9.852 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.438 9.109 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.929 8.040 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.933 9.474 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.538 10.120 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.745 9.331 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.884 10.980 -4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.197 11.883 -3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.574 12.676 -5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.552 12.007 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.248 11.131 -5.277 1.00 0.00 H new ATOM 204 N GLU A 26 2.417 5.344 -1.142 1.00 0.00 N ATOM 205 CA GLU A 26 3.376 4.205 -1.096 1.00 0.00 C ATOM 206 C GLU A 26 4.034 4.029 -2.465 1.00 0.00 C ATOM 207 O GLU A 26 3.483 4.398 -3.483 1.00 0.00 O ATOM 208 CB GLU A 26 2.628 2.924 -0.721 1.00 0.00 C ATOM 209 CG GLU A 26 1.616 2.583 -1.817 1.00 0.00 C ATOM 210 CD GLU A 26 0.198 2.671 -1.251 1.00 0.00 C ATOM 211 OE1 GLU A 26 -0.182 1.775 -0.515 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.484 3.633 -1.563 1.00 0.00 O ATOM 0 H GLU A 26 1.435 5.081 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 26 4.144 4.410 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.333 2.103 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.117 3.055 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.727 3.271 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.804 1.580 -2.200 1.00 0.00 H new ATOM 219 N MET A 27 5.210 3.462 -2.496 1.00 0.00 N ATOM 220 CA MET A 27 5.904 3.255 -3.798 1.00 0.00 C ATOM 221 C MET A 27 6.544 1.860 -3.810 1.00 0.00 C ATOM 222 O MET A 27 7.262 1.505 -2.892 1.00 0.00 O ATOM 223 CB MET A 27 6.993 4.316 -3.969 1.00 0.00 C ATOM 224 CG MET A 27 6.628 5.238 -5.133 1.00 0.00 C ATOM 225 SD MET A 27 6.476 6.938 -4.531 1.00 0.00 S ATOM 226 CE MET A 27 8.229 7.373 -4.637 1.00 0.00 C ATOM 0 H MET A 27 5.719 3.134 -1.676 1.00 0.00 H new ATOM 0 HA MET A 27 5.187 3.338 -4.614 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.099 4.895 -3.052 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.955 3.838 -4.157 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.392 5.182 -5.908 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.690 4.916 -5.586 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.583 7.698 -3.659 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.801 6.503 -4.960 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.361 8.181 -5.357 1.00 0.00 H new ATOM 236 N PRO A 28 6.268 1.107 -4.849 1.00 0.00 N ATOM 237 CA PRO A 28 6.801 -0.260 -5.001 1.00 0.00 C ATOM 238 C PRO A 28 8.283 -0.213 -5.368 1.00 0.00 C ATOM 239 O PRO A 28 9.006 -1.175 -5.201 1.00 0.00 O ATOM 240 CB PRO A 28 5.962 -0.854 -6.135 1.00 0.00 C ATOM 241 CG PRO A 28 5.396 0.346 -6.930 1.00 0.00 C ATOM 242 CD PRO A 28 5.415 1.550 -5.972 1.00 0.00 C ATOM 0 HA PRO A 28 6.738 -0.852 -4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.570 -1.493 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.157 -1.473 -5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.000 0.545 -7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.383 0.140 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.823 2.437 -6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.411 1.805 -5.633 1.00 0.00 H new ATOM 250 N ASP A 29 8.747 0.906 -5.852 1.00 0.00 N ATOM 251 CA ASP A 29 10.186 1.016 -6.209 1.00 0.00 C ATOM 252 C ASP A 29 11.008 1.195 -4.928 1.00 0.00 C ATOM 253 O ASP A 29 12.212 1.329 -4.983 1.00 0.00 O ATOM 254 CB ASP A 29 10.400 2.221 -7.128 1.00 0.00 C ATOM 255 CG ASP A 29 9.579 3.407 -6.621 1.00 0.00 C ATOM 256 OD1 ASP A 29 8.417 3.495 -6.983 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.125 4.207 -5.879 1.00 0.00 O ATOM 0 H ASP A 29 8.192 1.746 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 29 10.504 0.111 -6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.457 2.484 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.105 1.971 -8.147 1.00 0.00 H new ATOM 262 N LYS A 30 10.344 1.203 -3.787 1.00 0.00 N ATOM 263 CA LYS A 30 11.016 1.371 -2.466 1.00 0.00 C ATOM 264 C LYS A 30 10.920 2.832 -2.039 1.00 0.00 C ATOM 265 O LYS A 30 11.905 3.543 -1.996 1.00 0.00 O ATOM 266 CB LYS A 30 12.481 0.958 -2.540 1.00 0.00 C ATOM 267 CG LYS A 30 12.594 -0.446 -3.136 1.00 0.00 C ATOM 268 CD LYS A 30 13.440 -1.323 -2.211 1.00 0.00 C ATOM 269 CE LYS A 30 13.246 -2.794 -2.579 1.00 0.00 C ATOM 270 NZ LYS A 30 13.853 -3.055 -3.915 1.00 0.00 N ATOM 0 H LYS A 30 9.332 1.096 -3.725 1.00 0.00 H new ATOM 0 HA LYS A 30 10.517 0.732 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.038 1.668 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.924 0.977 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.602 -0.881 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.048 -0.398 -4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.492 -1.052 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.153 -1.157 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.709 -3.432 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.184 -3.039 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.812 -4.073 -4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.326 -2.532 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.845 -2.742 -3.913 1.00 0.00 H new ATOM 284 N THR A 31 9.740 3.291 -1.725 1.00 0.00 N ATOM 285 CA THR A 31 9.588 4.710 -1.304 1.00 0.00 C ATOM 286 C THR A 31 8.223 4.916 -0.645 1.00 0.00 C ATOM 287 O THR A 31 7.337 4.092 -0.753 1.00 0.00 O ATOM 288 CB THR A 31 9.698 5.616 -2.529 1.00 0.00 C ATOM 289 OG1 THR A 31 10.204 4.869 -3.627 1.00 0.00 O ATOM 290 CG2 THR A 31 10.640 6.781 -2.224 1.00 0.00 C ATOM 0 H THR A 31 8.878 2.746 -1.742 1.00 0.00 H new ATOM 0 HA THR A 31 10.373 4.957 -0.589 1.00 0.00 H new ATOM 0 HB THR A 31 8.712 6.007 -2.780 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.541 4.859 -4.349 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.717 7.426 -3.100 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.249 7.355 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.627 6.394 -1.971 1.00 0.00 H new ATOM 298 N PHE A 32 8.052 6.018 0.033 1.00 0.00 N ATOM 299 CA PHE A 32 6.752 6.303 0.705 1.00 0.00 C ATOM 300 C PHE A 32 6.655 7.806 0.978 1.00 0.00 C ATOM 301 O PHE A 32 7.651 8.470 1.184 1.00 0.00 O ATOM 302 CB PHE A 32 6.680 5.537 2.030 1.00 0.00 C ATOM 303 CG PHE A 32 5.854 4.284 1.848 1.00 0.00 C ATOM 304 CD1 PHE A 32 6.469 3.094 1.440 1.00 0.00 C ATOM 305 CD2 PHE A 32 4.474 4.313 2.088 1.00 0.00 C ATOM 306 CE1 PHE A 32 5.706 1.934 1.271 1.00 0.00 C ATOM 307 CE2 PHE A 32 3.711 3.151 1.919 1.00 0.00 C ATOM 308 CZ PHE A 32 4.327 1.961 1.510 1.00 0.00 C ATOM 0 H PHE A 32 8.763 6.739 0.151 1.00 0.00 H new ATOM 0 HA PHE A 32 5.928 5.988 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.684 5.277 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.238 6.167 2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.533 3.072 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.999 5.230 2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.181 1.017 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.647 3.172 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.738 1.065 1.379 1.00 0.00 H new ATOM 318 N GLU A 33 5.469 8.353 0.978 1.00 0.00 N ATOM 319 CA GLU A 33 5.336 9.815 1.233 1.00 0.00 C ATOM 320 C GLU A 33 3.940 10.132 1.777 1.00 0.00 C ATOM 321 O GLU A 33 2.952 10.033 1.076 1.00 0.00 O ATOM 322 CB GLU A 33 5.553 10.582 -0.072 1.00 0.00 C ATOM 323 CG GLU A 33 6.580 11.694 0.153 1.00 0.00 C ATOM 324 CD GLU A 33 7.668 11.610 -0.919 1.00 0.00 C ATOM 325 OE1 GLU A 33 7.859 10.533 -1.459 1.00 0.00 O ATOM 326 OE2 GLU A 33 8.292 12.625 -1.183 1.00 0.00 O ATOM 0 H GLU A 33 4.594 7.855 0.814 1.00 0.00 H new ATOM 0 HA GLU A 33 6.083 10.114 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.901 9.904 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.611 11.007 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.091 12.668 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.023 11.599 1.144 1.00 0.00 H new ATOM 333 N CYS A 34 3.857 10.531 3.016 1.00 0.00 N ATOM 334 CA CYS A 34 2.532 10.879 3.607 1.00 0.00 C ATOM 335 C CYS A 34 1.960 12.078 2.843 1.00 0.00 C ATOM 336 O CYS A 34 2.492 13.169 2.896 1.00 0.00 O ATOM 337 CB CYS A 34 2.731 11.239 5.081 1.00 0.00 C ATOM 338 SG CYS A 34 1.135 11.367 5.927 1.00 0.00 S ATOM 0 H CYS A 34 4.652 10.632 3.647 1.00 0.00 H new ATOM 0 HA CYS A 34 1.841 10.039 3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.346 10.481 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.268 12.184 5.161 1.00 0.00 H new ATOM 343 N LEU A 35 0.897 11.879 2.112 1.00 0.00 N ATOM 344 CA LEU A 35 0.312 13.002 1.321 1.00 0.00 C ATOM 345 C LEU A 35 -0.492 13.940 2.227 1.00 0.00 C ATOM 346 O LEU A 35 -1.146 14.849 1.756 1.00 0.00 O ATOM 347 CB LEU A 35 -0.610 12.432 0.241 1.00 0.00 C ATOM 348 CG LEU A 35 0.176 11.470 -0.650 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.618 10.175 -0.827 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.405 12.117 -2.017 1.00 0.00 C ATOM 0 H LEU A 35 0.408 10.988 2.028 1.00 0.00 H new ATOM 0 HA LEU A 35 1.123 13.567 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.449 11.912 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.027 13.241 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 35 1.137 11.247 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.058 9.489 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.784 9.714 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.578 10.398 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.965 11.433 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.556 12.339 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.969 13.041 -1.892 1.00 0.00 H new ATOM 362 N PHE A 36 -0.455 13.740 3.514 1.00 0.00 N ATOM 363 CA PHE A 36 -1.227 14.640 4.418 1.00 0.00 C ATOM 364 C PHE A 36 -0.619 16.048 4.379 1.00 0.00 C ATOM 365 O PHE A 36 0.588 16.197 4.379 1.00 0.00 O ATOM 366 CB PHE A 36 -1.172 14.103 5.846 1.00 0.00 C ATOM 367 CG PHE A 36 -1.951 15.019 6.762 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.389 16.227 7.192 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.233 14.654 7.187 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.108 17.067 8.050 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.953 15.495 8.042 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.391 16.701 8.475 1.00 0.00 C ATOM 0 H PHE A 36 0.071 12.999 3.977 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.265 14.681 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.587 13.096 5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.137 14.033 6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.401 16.511 6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.667 13.722 6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.673 17.997 8.384 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.943 15.213 8.368 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.946 17.349 9.137 1.00 0.00 H new ATOM 382 N PRO A 37 -1.472 17.041 4.348 1.00 0.00 N ATOM 383 CA PRO A 37 -1.042 18.449 4.308 1.00 0.00 C ATOM 384 C PRO A 37 -0.556 18.891 5.685 1.00 0.00 C ATOM 385 O PRO A 37 -1.325 19.046 6.611 1.00 0.00 O ATOM 386 CB PRO A 37 -2.306 19.204 3.889 1.00 0.00 C ATOM 387 CG PRO A 37 -3.499 18.289 4.256 1.00 0.00 C ATOM 388 CD PRO A 37 -2.939 16.857 4.358 1.00 0.00 C ATOM 0 HA PRO A 37 -0.211 18.629 3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.377 20.161 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.295 19.419 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.948 18.598 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.280 18.347 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.272 16.363 5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.269 16.240 3.522 1.00 0.00 H new ATOM 396 N GLY A 38 0.723 19.079 5.823 1.00 0.00 N ATOM 397 CA GLY A 38 1.285 19.492 7.135 1.00 0.00 C ATOM 398 C GLY A 38 2.314 18.449 7.563 1.00 0.00 C ATOM 399 O GLY A 38 3.157 18.696 8.402 1.00 0.00 O ATOM 0 H GLY A 38 1.409 18.963 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.750 20.475 7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.493 19.572 7.879 1.00 0.00 H new ATOM 403 N CYS A 39 2.248 17.279 6.982 1.00 0.00 N ATOM 404 CA CYS A 39 3.222 16.211 7.343 1.00 0.00 C ATOM 405 C CYS A 39 4.626 16.625 6.900 1.00 0.00 C ATOM 406 O CYS A 39 4.802 17.585 6.177 1.00 0.00 O ATOM 407 CB CYS A 39 2.837 14.912 6.636 1.00 0.00 C ATOM 408 SG CYS A 39 3.595 13.510 7.493 1.00 0.00 S ATOM 0 H CYS A 39 1.562 17.019 6.274 1.00 0.00 H new ATOM 0 HA CYS A 39 3.209 16.062 8.423 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.753 14.801 6.623 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.168 14.939 5.598 1.00 0.00 H new ATOM 413 N THR A 40 5.625 15.904 7.326 1.00 0.00 N ATOM 414 CA THR A 40 7.018 16.248 6.927 1.00 0.00 C ATOM 415 C THR A 40 7.922 15.030 7.130 1.00 0.00 C ATOM 416 O THR A 40 9.122 15.154 7.269 1.00 0.00 O ATOM 417 CB THR A 40 7.525 17.408 7.787 1.00 0.00 C ATOM 418 OG1 THR A 40 6.529 18.420 7.847 1.00 0.00 O ATOM 419 CG2 THR A 40 8.802 17.982 7.171 1.00 0.00 C ATOM 0 H THR A 40 5.537 15.090 7.934 1.00 0.00 H new ATOM 0 HA THR A 40 7.033 16.541 5.877 1.00 0.00 H new ATOM 0 HB THR A 40 7.740 17.049 8.793 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.998 18.405 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.162 18.808 7.784 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.565 17.205 7.125 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.590 18.343 6.164 1.00 0.00 H new ATOM 427 N LYS A 41 7.357 13.851 7.149 1.00 0.00 N ATOM 428 CA LYS A 41 8.193 12.632 7.346 1.00 0.00 C ATOM 429 C LYS A 41 7.850 11.594 6.273 1.00 0.00 C ATOM 430 O LYS A 41 6.712 11.196 6.121 1.00 0.00 O ATOM 431 CB LYS A 41 7.918 12.042 8.730 1.00 0.00 C ATOM 432 CG LYS A 41 9.061 11.100 9.119 1.00 0.00 C ATOM 433 CD LYS A 41 9.451 11.345 10.578 1.00 0.00 C ATOM 434 CE LYS A 41 8.201 11.293 11.457 1.00 0.00 C ATOM 435 NZ LYS A 41 8.534 10.646 12.759 1.00 0.00 N ATOM 0 H LYS A 41 6.358 13.681 7.037 1.00 0.00 H new ATOM 0 HA LYS A 41 9.246 12.901 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.824 12.841 9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.972 11.501 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.754 10.063 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.920 11.266 8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.169 10.593 10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.938 12.315 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.821 12.300 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.412 10.735 10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.684 10.611 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.878 9.679 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.273 11.196 13.241 1.00 0.00 H new ATOM 449 N THR A 42 8.829 11.150 5.533 1.00 0.00 N ATOM 450 CA THR A 42 8.565 10.134 4.474 1.00 0.00 C ATOM 451 C THR A 42 9.093 8.774 4.936 1.00 0.00 C ATOM 452 O THR A 42 9.594 8.634 6.033 1.00 0.00 O ATOM 453 CB THR A 42 9.274 10.548 3.183 1.00 0.00 C ATOM 454 OG1 THR A 42 10.616 10.081 3.209 1.00 0.00 O ATOM 455 CG2 THR A 42 9.263 12.071 3.059 1.00 0.00 C ATOM 0 H THR A 42 9.801 11.447 5.616 1.00 0.00 H new ATOM 0 HA THR A 42 7.493 10.065 4.291 1.00 0.00 H new ATOM 0 HB THR A 42 8.756 10.113 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.070 10.345 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.768 12.365 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.233 12.427 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.780 12.509 3.913 1.00 0.00 H new ATOM 463 N PHE A 43 8.982 7.769 4.110 1.00 0.00 N ATOM 464 CA PHE A 43 9.478 6.422 4.514 1.00 0.00 C ATOM 465 C PHE A 43 9.845 5.614 3.268 1.00 0.00 C ATOM 466 O PHE A 43 9.661 6.056 2.150 1.00 0.00 O ATOM 467 CB PHE A 43 8.383 5.689 5.294 1.00 0.00 C ATOM 468 CG PHE A 43 7.677 6.665 6.206 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.698 7.522 5.689 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.002 6.714 7.567 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.044 8.428 6.532 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.348 7.619 8.411 1.00 0.00 C ATOM 473 CZ PHE A 43 6.369 8.476 7.893 1.00 0.00 C ATOM 0 H PHE A 43 8.572 7.821 3.178 1.00 0.00 H new ATOM 0 HA PHE A 43 10.361 6.535 5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.670 5.238 4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.818 4.878 5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.447 7.484 4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.758 6.053 7.966 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.289 9.089 6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.598 7.656 9.461 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.864 9.175 8.544 1.00 0.00 H new ATOM 483 N LYS A 44 10.363 4.430 3.453 1.00 0.00 N ATOM 484 CA LYS A 44 10.745 3.591 2.283 1.00 0.00 C ATOM 485 C LYS A 44 10.294 2.150 2.524 1.00 0.00 C ATOM 486 O LYS A 44 10.708 1.512 3.473 1.00 0.00 O ATOM 487 CB LYS A 44 12.263 3.629 2.104 1.00 0.00 C ATOM 488 CG LYS A 44 12.625 3.119 0.707 1.00 0.00 C ATOM 489 CD LYS A 44 14.092 2.685 0.682 1.00 0.00 C ATOM 490 CE LYS A 44 14.346 1.673 1.802 1.00 0.00 C ATOM 491 NZ LYS A 44 15.304 0.637 1.325 1.00 0.00 N ATOM 0 H LYS A 44 10.538 4.008 4.365 1.00 0.00 H new ATOM 0 HA LYS A 44 10.265 3.977 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.630 4.646 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.745 3.014 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.983 2.281 0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.454 3.902 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.335 2.242 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.741 3.552 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.748 2.179 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.409 1.206 2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.478 -0.051 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.903 0.148 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.201 1.090 1.057 1.00 0.00 H new ATOM 505 N ARG A 45 9.450 1.633 1.675 1.00 0.00 N ATOM 506 CA ARG A 45 8.972 0.232 1.855 1.00 0.00 C ATOM 507 C ARG A 45 8.654 -0.015 3.331 1.00 0.00 C ATOM 508 O ARG A 45 9.505 -0.411 4.102 1.00 0.00 O ATOM 509 CB ARG A 45 10.061 -0.741 1.399 1.00 0.00 C ATOM 510 CG ARG A 45 9.890 -1.037 -0.092 1.00 0.00 C ATOM 511 CD ARG A 45 9.280 -2.428 -0.271 1.00 0.00 C ATOM 512 NE ARG A 45 10.169 -3.443 0.361 1.00 0.00 N ATOM 513 CZ ARG A 45 9.663 -4.546 0.841 1.00 0.00 C ATOM 514 NH1 ARG A 45 8.742 -5.185 0.173 1.00 0.00 N ATOM 515 NH2 ARG A 45 10.078 -5.011 1.987 1.00 0.00 N ATOM 0 H ARG A 45 9.070 2.120 0.863 1.00 0.00 H new ATOM 0 HA ARG A 45 8.072 0.077 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.046 -0.314 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.001 -1.666 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.248 -0.285 -0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.855 -0.984 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.289 -2.464 0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.154 -2.648 -1.331 1.00 0.00 H new ATOM 0 HE ARG A 45 11.174 -3.276 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.418 -4.822 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.346 -6.047 0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.799 -4.512 2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.682 -5.873 2.361 1.00 0.00 H new ATOM 529 N ARG A 46 7.433 0.218 3.734 1.00 0.00 N ATOM 530 CA ARG A 46 7.064 -0.003 5.161 1.00 0.00 C ATOM 531 C ARG A 46 5.663 0.556 5.419 1.00 0.00 C ATOM 532 O ARG A 46 5.187 1.418 4.708 1.00 0.00 O ATOM 533 CB ARG A 46 8.071 0.710 6.065 1.00 0.00 C ATOM 534 CG ARG A 46 8.791 -0.318 6.941 1.00 0.00 C ATOM 535 CD ARG A 46 10.250 0.098 7.125 1.00 0.00 C ATOM 536 NE ARG A 46 11.131 -1.089 6.940 1.00 0.00 N ATOM 537 CZ ARG A 46 12.147 -1.279 7.736 1.00 0.00 C ATOM 538 NH1 ARG A 46 12.804 -0.257 8.211 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.504 -2.492 8.059 1.00 0.00 N ATOM 0 H ARG A 46 6.677 0.551 3.137 1.00 0.00 H new ATOM 0 HA ARG A 46 7.074 -1.071 5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.794 1.258 5.460 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.559 1.441 6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.299 -0.393 7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.739 -1.304 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.512 0.874 6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.396 0.522 8.119 1.00 0.00 H new ATOM 0 HE ARG A 46 10.940 -1.754 6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.523 0.691 7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.598 -0.406 8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.989 -3.291 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.298 -2.641 8.681 1.00 0.00 H new ATOM 553 N TYR A 47 4.999 0.069 6.432 1.00 0.00 N ATOM 554 CA TYR A 47 3.630 0.570 6.739 1.00 0.00 C ATOM 555 C TYR A 47 3.682 1.388 8.026 1.00 0.00 C ATOM 556 O TYR A 47 2.679 1.602 8.678 1.00 0.00 O ATOM 557 CB TYR A 47 2.659 -0.603 6.947 1.00 0.00 C ATOM 558 CG TYR A 47 3.387 -1.919 6.814 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.882 -2.320 5.568 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.567 -2.736 7.936 1.00 0.00 C ATOM 561 CE1 TYR A 47 4.557 -3.540 5.442 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.242 -3.957 7.811 1.00 0.00 C ATOM 563 CZ TYR A 47 4.736 -4.358 6.564 1.00 0.00 C ATOM 564 OH TYR A 47 5.400 -5.562 6.440 1.00 0.00 O ATOM 0 H TYR A 47 5.347 -0.655 7.061 1.00 0.00 H new ATOM 0 HA TYR A 47 3.283 1.179 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.199 -0.532 7.933 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.853 -0.550 6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.743 -1.688 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.186 -2.425 8.898 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.939 -3.850 4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.381 -4.589 8.676 1.00 0.00 H new ATOM 0 HH TYR A 47 5.439 -6.006 7.313 1.00 0.00 H new ATOM 574 N ASN A 48 4.844 1.834 8.408 1.00 0.00 N ATOM 575 CA ASN A 48 4.954 2.619 9.664 1.00 0.00 C ATOM 576 C ASN A 48 4.124 3.897 9.554 1.00 0.00 C ATOM 577 O ASN A 48 3.883 4.572 10.536 1.00 0.00 O ATOM 578 CB ASN A 48 6.419 2.981 9.922 1.00 0.00 C ATOM 579 CG ASN A 48 7.302 1.756 9.677 1.00 0.00 C ATOM 580 OD1 ASN A 48 8.386 1.872 9.140 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.884 0.578 10.053 1.00 0.00 N ATOM 0 H ASN A 48 5.720 1.689 7.906 1.00 0.00 H new ATOM 0 HA ASN A 48 4.579 2.017 10.492 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.723 3.798 9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.542 3.331 10.947 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.467 -0.244 9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.974 0.480 10.504 1.00 0.00 H new ATOM 588 N ILE A 49 3.671 4.235 8.378 1.00 0.00 N ATOM 589 CA ILE A 49 2.846 5.466 8.240 1.00 0.00 C ATOM 590 C ILE A 49 1.428 5.147 8.666 1.00 0.00 C ATOM 591 O ILE A 49 0.861 5.813 9.486 1.00 0.00 O ATOM 592 CB ILE A 49 2.832 5.971 6.799 1.00 0.00 C ATOM 593 CG1 ILE A 49 4.175 5.683 6.150 1.00 0.00 C ATOM 594 CG2 ILE A 49 2.577 7.478 6.789 1.00 0.00 C ATOM 595 CD1 ILE A 49 4.092 4.335 5.447 1.00 0.00 C ATOM 0 H ILE A 49 3.835 3.717 7.515 1.00 0.00 H new ATOM 0 HA ILE A 49 3.277 6.246 8.868 1.00 0.00 H new ATOM 0 HB ILE A 49 2.042 5.465 6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.427 6.468 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.964 5.670 6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.567 7.839 5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.615 7.687 7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.367 7.984 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.049 4.111 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.857 3.559 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.311 4.368 4.687 1.00 0.00 H new ATOM 607 N ARG A 50 0.837 4.127 8.135 1.00 0.00 N ATOM 608 CA ARG A 50 -0.550 3.816 8.564 1.00 0.00 C ATOM 609 C ARG A 50 -0.608 3.859 10.089 1.00 0.00 C ATOM 610 O ARG A 50 -1.639 4.100 10.675 1.00 0.00 O ATOM 611 CB ARG A 50 -0.973 2.437 8.051 1.00 0.00 C ATOM 612 CG ARG A 50 -0.212 1.351 8.815 1.00 0.00 C ATOM 613 CD ARG A 50 -1.182 0.581 9.711 1.00 0.00 C ATOM 614 NE ARG A 50 -2.096 -0.240 8.867 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.607 -1.146 8.064 1.00 0.00 C ATOM 616 NH1 ARG A 50 -1.251 -2.309 8.535 1.00 0.00 N ATOM 617 NH2 ARG A 50 -1.475 -0.887 6.792 1.00 0.00 N ATOM 0 H ARG A 50 1.240 3.503 7.436 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.238 4.552 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.047 2.303 8.181 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.769 2.356 6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.271 0.670 8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.577 1.801 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.629 -0.061 10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.759 1.276 10.321 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.104 -0.094 8.917 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.355 -2.510 9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.869 -3.018 7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.754 0.023 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.093 -1.595 6.164 1.00 0.00 H new ATOM 631 N SER A 51 0.501 3.671 10.741 1.00 0.00 N ATOM 632 CA SER A 51 0.497 3.759 12.219 1.00 0.00 C ATOM 633 C SER A 51 0.794 5.209 12.596 1.00 0.00 C ATOM 634 O SER A 51 0.269 5.741 13.555 1.00 0.00 O ATOM 635 CB SER A 51 1.575 2.837 12.786 1.00 0.00 C ATOM 636 OG SER A 51 1.278 2.546 14.146 1.00 0.00 O ATOM 0 H SER A 51 1.404 3.461 10.316 1.00 0.00 H new ATOM 0 HA SER A 51 -0.467 3.453 12.625 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.622 1.915 12.207 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.553 3.312 12.709 1.00 0.00 H new ATOM 0 HG SER A 51 1.967 1.953 14.512 1.00 0.00 H new ATOM 642 N HIS A 52 1.630 5.852 11.830 1.00 0.00 N ATOM 643 CA HIS A 52 1.977 7.272 12.106 1.00 0.00 C ATOM 644 C HIS A 52 0.793 8.178 11.737 1.00 0.00 C ATOM 645 O HIS A 52 0.350 8.974 12.540 1.00 0.00 O ATOM 646 CB HIS A 52 3.251 7.635 11.303 1.00 0.00 C ATOM 647 CG HIS A 52 3.100 8.967 10.610 1.00 0.00 C ATOM 648 ND1 HIS A 52 3.624 10.132 11.144 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.439 9.341 9.461 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.267 11.144 10.337 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.541 10.719 9.301 1.00 0.00 N ATOM 0 H HIS A 52 2.092 5.449 11.015 1.00 0.00 H new ATOM 0 HA HIS A 52 2.181 7.418 13.167 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.110 7.667 11.974 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.452 6.859 10.564 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.180 10.208 11.996 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.923 8.670 8.790 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.535 12.177 10.506 1.00 0.00 H new ATOM 659 N ILE A 53 0.273 8.076 10.545 1.00 0.00 N ATOM 660 CA ILE A 53 -0.873 8.949 10.187 1.00 0.00 C ATOM 661 C ILE A 53 -2.071 8.561 11.038 1.00 0.00 C ATOM 662 O ILE A 53 -3.027 9.288 11.146 1.00 0.00 O ATOM 663 CB ILE A 53 -1.235 8.799 8.711 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.954 7.378 8.230 1.00 0.00 C ATOM 665 CG2 ILE A 53 -0.407 9.776 7.891 1.00 0.00 C ATOM 666 CD1 ILE A 53 -1.594 7.182 6.859 1.00 0.00 C ATOM 0 H ILE A 53 0.588 7.436 9.816 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.594 9.987 10.369 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.298 9.008 8.588 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.121 7.206 8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.355 6.654 8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.662 9.673 6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.617 10.795 8.217 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.653 9.562 8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.398 6.169 6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.670 7.338 6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.172 7.898 6.155 1.00 0.00 H new ATOM 678 N GLN A 54 -2.039 7.420 11.649 1.00 0.00 N ATOM 679 CA GLN A 54 -3.204 7.038 12.481 1.00 0.00 C ATOM 680 C GLN A 54 -3.272 7.951 13.696 1.00 0.00 C ATOM 681 O GLN A 54 -4.326 8.160 14.261 1.00 0.00 O ATOM 682 CB GLN A 54 -3.088 5.576 12.915 1.00 0.00 C ATOM 683 CG GLN A 54 -4.358 4.826 12.508 1.00 0.00 C ATOM 684 CD GLN A 54 -4.235 4.343 11.059 1.00 0.00 C ATOM 685 OE1 GLN A 54 -4.629 3.239 10.742 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.701 5.127 10.160 1.00 0.00 N ATOM 0 H GLN A 54 -1.274 6.746 11.612 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.119 7.148 11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.215 5.115 12.452 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.946 5.515 13.994 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.518 3.976 13.172 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.225 5.478 12.611 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.370 6.055 10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.616 4.811 9.194 1.00 0.00 H new ATOM 695 N THR A 55 -2.172 8.520 14.100 1.00 0.00 N ATOM 696 CA THR A 55 -2.229 9.431 15.267 1.00 0.00 C ATOM 697 C THR A 55 -2.362 10.870 14.774 1.00 0.00 C ATOM 698 O THR A 55 -3.074 11.669 15.350 1.00 0.00 O ATOM 699 CB THR A 55 -0.965 9.272 16.122 1.00 0.00 C ATOM 700 OG1 THR A 55 -1.198 9.820 17.411 1.00 0.00 O ATOM 701 CG2 THR A 55 0.212 10.000 15.465 1.00 0.00 C ATOM 0 H THR A 55 -1.252 8.395 13.679 1.00 0.00 H new ATOM 0 HA THR A 55 -3.093 9.182 15.883 1.00 0.00 H new ATOM 0 HB THR A 55 -0.724 8.213 16.208 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.393 9.718 17.960 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.103 9.880 16.081 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.394 9.579 14.476 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.023 11.060 15.370 1.00 0.00 H new ATOM 709 N HIS A 56 -1.691 11.209 13.713 1.00 0.00 N ATOM 710 CA HIS A 56 -1.792 12.590 13.192 1.00 0.00 C ATOM 711 C HIS A 56 -2.756 12.612 12.005 1.00 0.00 C ATOM 712 O HIS A 56 -2.836 13.577 11.270 1.00 0.00 O ATOM 713 CB HIS A 56 -0.384 13.089 12.833 1.00 0.00 C ATOM 714 CG HIS A 56 -0.148 13.222 11.346 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.539 14.341 10.628 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.588 12.462 10.476 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.009 14.232 9.391 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.691 13.104 9.247 1.00 0.00 N ATOM 0 H HIS A 56 -1.078 10.587 13.186 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.197 13.269 13.943 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.219 14.057 13.306 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.353 12.402 13.249 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.120 15.106 10.971 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.025 11.503 10.711 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.136 14.969 8.612 1.00 0.00 H new ATOM 726 N LEU A 57 -3.513 11.558 11.836 1.00 0.00 N ATOM 727 CA LEU A 57 -4.501 11.519 10.727 1.00 0.00 C ATOM 728 C LEU A 57 -5.703 10.658 11.139 1.00 0.00 C ATOM 729 O LEU A 57 -6.561 10.360 10.333 1.00 0.00 O ATOM 730 CB LEU A 57 -3.857 10.937 9.465 1.00 0.00 C ATOM 731 CG LEU A 57 -4.055 11.902 8.300 1.00 0.00 C ATOM 732 CD1 LEU A 57 -3.187 11.460 7.120 1.00 0.00 C ATOM 733 CD2 LEU A 57 -5.526 11.899 7.880 1.00 0.00 C ATOM 0 H LEU A 57 -3.486 10.723 12.422 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.837 12.534 10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.794 10.766 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.302 9.970 9.230 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.767 12.907 8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.328 12.149 6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.139 11.461 7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.476 10.455 6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.668 12.588 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.814 10.894 7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.145 12.213 8.721 1.00 0.00 H new ATOM 745 N GLU A 58 -5.782 10.257 12.389 1.00 0.00 N ATOM 746 CA GLU A 58 -6.939 9.425 12.825 1.00 0.00 C ATOM 747 C GLU A 58 -8.236 10.001 12.246 1.00 0.00 C ATOM 748 O GLU A 58 -8.977 9.323 11.564 1.00 0.00 O ATOM 749 CB GLU A 58 -7.022 9.422 14.354 1.00 0.00 C ATOM 750 CG GLU A 58 -6.773 10.836 14.890 1.00 0.00 C ATOM 751 CD GLU A 58 -5.753 10.778 16.027 1.00 0.00 C ATOM 752 OE1 GLU A 58 -5.457 9.684 16.476 1.00 0.00 O ATOM 753 OE2 GLU A 58 -5.284 11.831 16.429 1.00 0.00 O ATOM 0 H GLU A 58 -5.099 10.471 13.116 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.803 8.405 12.466 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.003 9.070 14.673 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.286 8.732 14.766 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.406 11.480 14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.707 11.271 15.247 1.00 0.00 H new ATOM 760 N ASP A 59 -8.517 11.248 12.514 1.00 0.00 N ATOM 761 CA ASP A 59 -9.766 11.862 11.980 1.00 0.00 C ATOM 762 C ASP A 59 -9.588 13.378 11.879 1.00 0.00 C ATOM 763 O ASP A 59 -10.540 14.130 11.934 1.00 0.00 O ATOM 764 CB ASP A 59 -10.930 11.550 12.923 1.00 0.00 C ATOM 765 CG ASP A 59 -11.856 10.523 12.271 1.00 0.00 C ATOM 766 OD1 ASP A 59 -11.422 9.874 11.333 1.00 0.00 O ATOM 767 OD2 ASP A 59 -12.984 10.402 12.720 1.00 0.00 O ATOM 0 H ASP A 59 -7.936 11.867 13.079 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.977 11.454 10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.551 11.164 13.869 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.483 12.462 13.149 1.00 0.00 H new ATOM 772 N ARG A 60 -8.374 13.833 11.731 1.00 0.00 N ATOM 773 CA ARG A 60 -8.136 15.301 11.629 1.00 0.00 C ATOM 774 C ARG A 60 -8.228 15.732 10.164 1.00 0.00 C ATOM 775 O ARG A 60 -8.842 16.754 9.906 1.00 0.00 O ATOM 776 CB ARG A 60 -6.744 15.629 12.172 1.00 0.00 C ATOM 777 CG ARG A 60 -6.874 16.292 13.543 1.00 0.00 C ATOM 778 CD ARG A 60 -5.976 17.528 13.599 1.00 0.00 C ATOM 779 NE ARG A 60 -6.813 18.741 13.814 1.00 0.00 N ATOM 780 CZ ARG A 60 -6.456 19.630 14.699 1.00 0.00 C ATOM 781 NH1 ARG A 60 -5.996 19.248 15.858 1.00 0.00 N ATOM 782 NH2 ARG A 60 -6.561 20.902 14.425 1.00 0.00 N ATOM 783 OXT ARG A 60 -7.683 15.034 9.325 1.00 0.00 O ATOM 0 H ARG A 60 -7.537 13.252 11.676 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.888 15.834 12.211 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.149 14.719 12.251 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.221 16.293 11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.911 16.574 13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.592 15.589 14.327 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.250 17.427 14.406 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.411 17.623 12.672 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.665 18.876 13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.915 18.254 16.072 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.717 19.943 16.550 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.922 21.200 13.519 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.282 21.597 15.117 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.868 12.078 7.991 1.00 0.00 ZN