USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 374 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 Set 1.1: A 36 GLN : amide:sc= -0.924 K(o=-0.96,f=-0.033) USER MOD Set 1.2: A 38 ASN : amide:sc= -0.0359 X(o=-0.96,f=-0.98) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 40 MET CE :methyl 168:sc= -1.38 (180deg=-1.29) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= -0.46 USER MOD Set 3.2: A 41 GLN : amide:sc= 0.143 X(o=-0.32,f=-0.6) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -159:sc= -0.762 (180deg=-1.84) USER MOD Single : A 9 THR OG1 : rot 100:sc= -1.09 USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0.654 (180deg=0.548) USER MOD Single : A 14 MET CE :methyl 140:sc= -0.0412 (180deg=-1.74!) USER MOD Single : A 17 THR OG1 : rot 98:sc= 1.16 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -17:sc= 0.0898 USER MOD Single : A 33 HIS : no HE2:sc= 0.333 K(o=0.33,f=-1.7) USER MOD Single : A 35 GLN : amide:sc= -0.813 K(o=-0.81,f=-1.6) USER MOD Single : A 43 ASN : amide:sc= 1.2 K(o=1.2,f=-0.044) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 3.447 0.192 16.546 1.00 0.00 N ATOM 2 CA ASP A 4 2.507 0.909 15.696 1.00 0.00 C ATOM 3 C ASP A 4 2.762 0.607 14.228 1.00 0.00 C ATOM 4 O ASP A 4 3.904 0.395 13.817 1.00 0.00 O ATOM 5 CB ASP A 4 2.623 2.418 15.935 1.00 0.00 C ATOM 6 CG ASP A 4 2.320 2.808 17.367 1.00 0.00 C ATOM 7 OD1 ASP A 4 3.087 2.415 18.275 1.00 0.00 O ATOM 8 OD2 ASP A 4 1.321 3.520 17.596 1.00 0.00 O ATOM 0 HA ASP A 4 1.501 0.577 15.952 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.630 2.746 15.679 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.938 2.941 15.268 1.00 0.00 H new ATOM 13 N TYR A 5 1.696 0.587 13.450 1.00 0.00 N ATOM 14 CA TYR A 5 1.797 0.332 12.026 1.00 0.00 C ATOM 15 C TYR A 5 1.036 1.400 11.253 1.00 0.00 C ATOM 16 O TYR A 5 -0.024 1.853 11.693 1.00 0.00 O ATOM 17 CB TYR A 5 1.251 -1.055 11.686 1.00 0.00 C ATOM 18 CG TYR A 5 2.010 -2.194 12.330 1.00 0.00 C ATOM 19 CD1 TYR A 5 3.355 -2.401 12.055 1.00 0.00 C ATOM 20 CD2 TYR A 5 1.377 -3.070 13.204 1.00 0.00 C ATOM 21 CE1 TYR A 5 4.050 -3.445 12.632 1.00 0.00 C ATOM 22 CE2 TYR A 5 2.067 -4.116 13.785 1.00 0.00 C ATOM 23 CZ TYR A 5 3.402 -4.299 13.494 1.00 0.00 C ATOM 24 OH TYR A 5 4.092 -5.341 14.067 1.00 0.00 O ATOM 0 H TYR A 5 0.745 0.745 13.783 1.00 0.00 H new ATOM 0 HA TYR A 5 2.848 0.366 11.740 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.207 -1.108 11.995 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.270 -1.186 10.604 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.867 -1.733 11.378 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.331 -2.931 13.432 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.096 -3.590 12.408 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.563 -4.788 14.464 1.00 0.00 H new ATOM 0 HH TYR A 5 3.491 -5.849 14.651 1.00 0.00 H new ATOM 34 N VAL A 6 1.591 1.803 10.121 1.00 0.00 N ATOM 35 CA VAL A 6 0.994 2.831 9.282 1.00 0.00 C ATOM 36 C VAL A 6 1.815 3.000 8.005 1.00 0.00 C ATOM 37 O VAL A 6 3.049 3.080 8.047 1.00 0.00 O ATOM 38 CB VAL A 6 0.874 4.189 10.024 1.00 0.00 C ATOM 39 CG1 VAL A 6 2.240 4.714 10.462 1.00 0.00 C ATOM 40 CG2 VAL A 6 0.153 5.214 9.158 1.00 0.00 C ATOM 0 H VAL A 6 2.467 1.427 9.758 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.015 2.507 9.028 1.00 0.00 H new ATOM 0 HB VAL A 6 0.283 4.021 10.925 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.116 5.666 10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.707 3.995 11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.873 4.856 9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.080 6.159 9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.710 5.366 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.848 4.852 8.923 1.00 0.00 H new ATOM 50 N MET A 7 1.135 3.031 6.874 1.00 0.00 N ATOM 51 CA MET A 7 1.798 3.156 5.593 1.00 0.00 C ATOM 52 C MET A 7 1.550 4.542 5.014 1.00 0.00 C ATOM 53 O MET A 7 0.425 4.886 4.644 1.00 0.00 O ATOM 54 CB MET A 7 1.303 2.058 4.645 1.00 0.00 C ATOM 55 CG MET A 7 2.120 1.912 3.369 1.00 0.00 C ATOM 56 SD MET A 7 1.694 3.122 2.104 1.00 0.00 S ATOM 57 CE MET A 7 -0.013 2.676 1.796 1.00 0.00 C ATOM 0 H MET A 7 0.118 2.971 6.819 1.00 0.00 H new ATOM 0 HA MET A 7 2.873 3.033 5.723 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.309 1.106 5.177 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.267 2.267 4.377 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.178 2.008 3.611 1.00 0.00 H new ATOM 0 HG3 MET A 7 1.975 0.910 2.966 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.315 3.048 0.817 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.115 1.591 1.819 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.649 3.117 2.564 1.00 0.00 H new ATOM 67 N ALA A 8 2.598 5.349 4.972 1.00 0.00 N ATOM 68 CA ALA A 8 2.501 6.696 4.433 1.00 0.00 C ATOM 69 C ALA A 8 2.836 6.695 2.949 1.00 0.00 C ATOM 70 O ALA A 8 3.870 6.170 2.530 1.00 0.00 O ATOM 71 CB ALA A 8 3.412 7.649 5.191 1.00 0.00 C ATOM 0 H ALA A 8 3.528 5.094 5.305 1.00 0.00 H new ATOM 0 HA ALA A 8 1.475 7.044 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.322 8.650 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.123 7.670 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.445 7.311 5.105 1.00 0.00 H new ATOM 77 N THR A 9 1.966 7.289 2.163 1.00 0.00 N ATOM 78 CA THR A 9 2.105 7.249 0.724 1.00 0.00 C ATOM 79 C THR A 9 2.866 8.454 0.185 1.00 0.00 C ATOM 80 O THR A 9 3.301 9.335 0.934 1.00 0.00 O ATOM 81 CB THR A 9 0.730 7.196 0.049 1.00 0.00 C ATOM 82 OG1 THR A 9 -0.091 8.249 0.560 1.00 0.00 O ATOM 83 CG2 THR A 9 0.056 5.856 0.285 1.00 0.00 C ATOM 0 H THR A 9 1.153 7.807 2.497 1.00 0.00 H new ATOM 0 HA THR A 9 2.673 6.348 0.493 1.00 0.00 H new ATOM 0 HB THR A 9 0.866 7.322 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.097 8.996 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.918 5.847 -0.205 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.676 5.059 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.075 5.698 1.356 1.00 0.00 H new ATOM 91 N LYS A 10 3.016 8.458 -1.131 1.00 0.00 N ATOM 92 CA LYS A 10 3.657 9.527 -1.884 1.00 0.00 C ATOM 93 C LYS A 10 3.013 10.882 -1.600 1.00 0.00 C ATOM 94 O LYS A 10 3.704 11.881 -1.417 1.00 0.00 O ATOM 95 CB LYS A 10 3.523 9.183 -3.364 1.00 0.00 C ATOM 96 CG LYS A 10 3.994 10.251 -4.331 1.00 0.00 C ATOM 97 CD LYS A 10 3.961 9.718 -5.751 1.00 0.00 C ATOM 98 CE LYS A 10 2.587 9.150 -6.075 1.00 0.00 C ATOM 99 NZ LYS A 10 2.536 8.503 -7.408 1.00 0.00 N ATOM 0 H LYS A 10 2.686 7.695 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 10 4.703 9.607 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.085 8.269 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.476 8.964 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.358 11.132 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.006 10.564 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.205 10.517 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.719 8.944 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.310 8.423 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.849 9.951 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.611 8.045 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.673 9.221 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.288 7.788 -7.476 1.00 0.00 H new ATOM 113 N ASP A 11 1.683 10.898 -1.562 1.00 0.00 N ATOM 114 CA ASP A 11 0.927 12.134 -1.378 1.00 0.00 C ATOM 115 C ASP A 11 1.218 12.750 -0.019 1.00 0.00 C ATOM 116 O ASP A 11 1.182 13.968 0.144 1.00 0.00 O ATOM 117 CB ASP A 11 -0.578 11.869 -1.489 1.00 0.00 C ATOM 118 CG ASP A 11 -0.959 11.097 -2.734 1.00 0.00 C ATOM 119 OD1 ASP A 11 -1.179 11.727 -3.787 1.00 0.00 O ATOM 120 OD2 ASP A 11 -1.047 9.854 -2.654 1.00 0.00 O ATOM 0 H ASP A 11 1.104 10.064 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 11 1.235 12.826 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.908 11.314 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.109 12.821 -1.483 1.00 0.00 H new ATOM 125 N GLY A 12 1.515 11.902 0.953 1.00 0.00 N ATOM 126 CA GLY A 12 1.723 12.371 2.307 1.00 0.00 C ATOM 127 C GLY A 12 0.615 11.908 3.225 1.00 0.00 C ATOM 128 O GLY A 12 0.712 12.026 4.446 1.00 0.00 O ATOM 0 H GLY A 12 1.616 10.895 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.681 12.006 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.772 13.460 2.313 1.00 0.00 H new ATOM 132 N ARG A 13 -0.446 11.383 2.626 1.00 0.00 N ATOM 133 CA ARG A 13 -1.556 10.822 3.382 1.00 0.00 C ATOM 134 C ARG A 13 -1.130 9.511 4.035 1.00 0.00 C ATOM 135 O ARG A 13 -0.524 8.648 3.390 1.00 0.00 O ATOM 136 CB ARG A 13 -2.767 10.605 2.471 1.00 0.00 C ATOM 137 CG ARG A 13 -2.430 9.841 1.206 1.00 0.00 C ATOM 138 CD ARG A 13 -3.618 9.703 0.273 1.00 0.00 C ATOM 139 NE ARG A 13 -3.203 9.246 -1.054 1.00 0.00 N ATOM 140 CZ ARG A 13 -3.978 8.570 -1.897 1.00 0.00 C ATOM 141 NH1 ARG A 13 -5.229 8.264 -1.571 1.00 0.00 N ATOM 142 NH2 ARG A 13 -3.496 8.216 -3.079 1.00 0.00 N ATOM 0 H ARG A 13 -0.561 11.334 1.614 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.842 11.524 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.536 10.063 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.190 11.573 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.620 10.350 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.064 8.849 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.334 8.998 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.128 10.662 0.186 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.252 9.461 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.604 8.548 -0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.814 7.745 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.540 8.462 -3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.081 7.697 -3.734 1.00 0.00 H new ATOM 156 N MET A 14 -1.435 9.379 5.312 1.00 0.00 N ATOM 157 CA MET A 14 -1.028 8.215 6.084 1.00 0.00 C ATOM 158 C MET A 14 -2.171 7.215 6.181 1.00 0.00 C ATOM 159 O MET A 14 -3.231 7.515 6.735 1.00 0.00 O ATOM 160 CB MET A 14 -0.571 8.641 7.482 1.00 0.00 C ATOM 161 CG MET A 14 0.586 9.628 7.460 1.00 0.00 C ATOM 162 SD MET A 14 1.085 10.171 9.105 1.00 0.00 S ATOM 163 CE MET A 14 1.695 8.639 9.801 1.00 0.00 C ATOM 0 H MET A 14 -1.968 10.069 5.842 1.00 0.00 H new ATOM 0 HA MET A 14 -0.192 7.734 5.575 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.412 9.089 8.011 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.275 7.756 8.045 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.439 9.167 6.962 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.302 10.498 6.867 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.593 8.837 10.386 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.931 8.202 10.445 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.932 7.943 8.996 1.00 0.00 H new ATOM 173 N ILE A 15 -1.957 6.032 5.632 1.00 0.00 N ATOM 174 CA ILE A 15 -2.982 5.003 5.610 1.00 0.00 C ATOM 175 C ILE A 15 -2.771 4.016 6.753 1.00 0.00 C ATOM 176 O ILE A 15 -1.679 3.476 6.924 1.00 0.00 O ATOM 177 CB ILE A 15 -2.988 4.259 4.255 1.00 0.00 C ATOM 178 CG1 ILE A 15 -3.332 5.242 3.128 1.00 0.00 C ATOM 179 CG2 ILE A 15 -3.968 3.093 4.278 1.00 0.00 C ATOM 180 CD1 ILE A 15 -3.347 4.623 1.747 1.00 0.00 C ATOM 0 H ILE A 15 -1.078 5.759 5.193 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.950 5.487 5.739 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.994 3.849 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.310 5.679 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.610 6.058 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.953 2.586 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.680 2.391 5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.973 3.466 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.599 5.385 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.363 4.211 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.090 3.826 1.713 1.00 0.00 H new ATOM 192 N LEU A 16 -3.816 3.809 7.544 1.00 0.00 N ATOM 193 CA LEU A 16 -3.750 2.909 8.687 1.00 0.00 C ATOM 194 C LEU A 16 -3.780 1.460 8.227 1.00 0.00 C ATOM 195 O LEU A 16 -4.767 0.994 7.656 1.00 0.00 O ATOM 196 CB LEU A 16 -4.901 3.180 9.663 1.00 0.00 C ATOM 197 CG LEU A 16 -4.739 4.410 10.568 1.00 0.00 C ATOM 198 CD1 LEU A 16 -3.432 4.334 11.342 1.00 0.00 C ATOM 199 CD2 LEU A 16 -4.814 5.702 9.767 1.00 0.00 C ATOM 0 H LEU A 16 -4.724 4.255 7.413 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.809 3.091 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.820 3.295 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.029 2.302 10.296 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.565 4.412 11.279 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.334 5.214 11.978 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.427 3.437 11.961 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.597 4.297 10.643 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.696 6.553 10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.019 5.714 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.781 5.765 9.268 1.00 0.00 H new ATOM 211 N THR A 17 -2.688 0.767 8.478 1.00 0.00 N ATOM 212 CA THR A 17 -2.521 -0.608 8.053 1.00 0.00 C ATOM 213 C THR A 17 -2.063 -1.477 9.219 1.00 0.00 C ATOM 214 O THR A 17 -1.506 -0.968 10.193 1.00 0.00 O ATOM 215 CB THR A 17 -1.466 -0.681 6.923 1.00 0.00 C ATOM 216 OG1 THR A 17 -0.405 0.248 7.193 1.00 0.00 O ATOM 217 CG2 THR A 17 -2.081 -0.361 5.568 1.00 0.00 C ATOM 0 H THR A 17 -1.887 1.144 8.985 1.00 0.00 H new ATOM 0 HA THR A 17 -3.481 -0.975 7.690 1.00 0.00 H new ATOM 0 HB THR A 17 -1.076 -1.698 6.892 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.343 -0.223 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.313 -0.421 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.872 -1.078 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.499 0.646 5.587 1.00 0.00 H new ATOM 225 N ASP A 18 -2.335 -2.774 9.155 1.00 0.00 N ATOM 226 CA ASP A 18 -1.599 -3.707 9.990 1.00 0.00 C ATOM 227 C ASP A 18 -0.321 -4.032 9.243 1.00 0.00 C ATOM 228 O ASP A 18 -0.337 -4.163 8.016 1.00 0.00 O ATOM 229 CB ASP A 18 -2.400 -4.970 10.359 1.00 0.00 C ATOM 230 CG ASP A 18 -2.885 -5.771 9.170 1.00 0.00 C ATOM 231 OD1 ASP A 18 -2.118 -6.608 8.653 1.00 0.00 O ATOM 232 OD2 ASP A 18 -4.056 -5.593 8.776 1.00 0.00 O ATOM 0 H ASP A 18 -3.041 -3.193 8.550 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.385 -3.250 10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.778 -5.611 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.261 -4.677 10.960 1.00 0.00 H new ATOM 237 N GLY A 19 0.777 -4.134 9.974 1.00 0.00 N ATOM 238 CA GLY A 19 2.098 -3.985 9.364 1.00 0.00 C ATOM 239 C GLY A 19 2.381 -5.011 8.308 1.00 0.00 C ATOM 240 O GLY A 19 1.749 -6.073 8.328 1.00 0.00 O ATOM 0 H GLY A 19 0.787 -4.317 10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.178 -2.990 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.859 -4.053 10.141 1.00 0.00 H new ATOM 244 N LYS A 20 3.305 -4.701 7.373 1.00 0.00 N ATOM 245 CA LYS A 20 3.753 -5.717 6.419 1.00 0.00 C ATOM 246 C LYS A 20 2.956 -5.702 5.122 1.00 0.00 C ATOM 247 O LYS A 20 2.071 -6.534 4.907 1.00 0.00 O ATOM 248 CB LYS A 20 3.826 -7.143 6.991 1.00 0.00 C ATOM 249 CG LYS A 20 4.916 -7.340 8.029 1.00 0.00 C ATOM 250 CD LYS A 20 5.067 -8.809 8.396 1.00 0.00 C ATOM 251 CE LYS A 20 3.790 -9.377 8.996 1.00 0.00 C ATOM 252 NZ LYS A 20 3.856 -10.855 9.142 1.00 0.00 N ATOM 0 H LYS A 20 3.739 -3.784 7.265 1.00 0.00 H new ATOM 0 HA LYS A 20 4.779 -5.424 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.864 -7.393 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.988 -7.844 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.862 -6.960 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.680 -6.762 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.336 -9.380 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.885 -8.923 9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.614 -8.923 9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.943 -9.112 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.967 -11.203 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.998 -11.290 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.649 -11.107 9.766 1.00 0.00 H new ATOM 266 N PRO A 21 3.242 -4.727 4.247 1.00 0.00 N ATOM 267 CA PRO A 21 2.650 -4.675 2.919 1.00 0.00 C ATOM 268 C PRO A 21 3.298 -5.689 1.985 1.00 0.00 C ATOM 269 O PRO A 21 4.526 -5.779 1.900 1.00 0.00 O ATOM 270 CB PRO A 21 2.941 -3.250 2.460 1.00 0.00 C ATOM 271 CG PRO A 21 4.186 -2.868 3.178 1.00 0.00 C ATOM 272 CD PRO A 21 4.151 -3.592 4.496 1.00 0.00 C ATOM 0 HA PRO A 21 1.587 -4.917 2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.077 -3.202 1.380 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.119 -2.579 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.068 -3.149 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.233 -1.789 3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.143 -3.931 4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.781 -2.950 5.296 1.00 0.00 H new ATOM 280 N GLU A 22 2.474 -6.460 1.298 1.00 0.00 N ATOM 281 CA GLU A 22 2.970 -7.477 0.391 1.00 0.00 C ATOM 282 C GLU A 22 3.182 -6.867 -0.988 1.00 0.00 C ATOM 283 O GLU A 22 2.226 -6.556 -1.695 1.00 0.00 O ATOM 284 CB GLU A 22 1.984 -8.649 0.323 1.00 0.00 C ATOM 285 CG GLU A 22 2.652 -10.015 0.282 1.00 0.00 C ATOM 286 CD GLU A 22 3.589 -10.179 -0.893 1.00 0.00 C ATOM 287 OE1 GLU A 22 3.101 -10.258 -2.039 1.00 0.00 O ATOM 288 OE2 GLU A 22 4.817 -10.249 -0.672 1.00 0.00 O ATOM 0 H GLU A 22 1.457 -6.400 1.352 1.00 0.00 H new ATOM 0 HA GLU A 22 3.924 -7.857 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.322 -8.605 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.359 -8.534 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.207 -10.170 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.884 -10.788 0.238 1.00 0.00 H new ATOM 295 N ILE A 23 4.434 -6.680 -1.357 1.00 0.00 N ATOM 296 CA ILE A 23 4.766 -6.006 -2.598 1.00 0.00 C ATOM 297 C ILE A 23 4.811 -6.989 -3.760 1.00 0.00 C ATOM 298 O ILE A 23 5.484 -8.018 -3.697 1.00 0.00 O ATOM 299 CB ILE A 23 6.111 -5.257 -2.493 1.00 0.00 C ATOM 300 CG1 ILE A 23 6.064 -4.240 -1.346 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.434 -4.562 -3.809 1.00 0.00 C ATOM 302 CD1 ILE A 23 7.350 -3.459 -1.166 1.00 0.00 C ATOM 0 H ILE A 23 5.241 -6.986 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 23 3.979 -5.275 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 23 6.899 -5.981 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.248 -3.541 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.835 -4.764 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.386 -4.038 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.501 -5.303 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.646 -3.846 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.239 -2.761 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.167 -4.148 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.570 -2.906 -2.079 1.00 0.00 H new ATOM 314 N ASP A 24 4.075 -6.666 -4.810 1.00 0.00 N ATOM 315 CA ASP A 24 4.048 -7.475 -6.015 1.00 0.00 C ATOM 316 C ASP A 24 5.067 -6.944 -7.011 1.00 0.00 C ATOM 317 O ASP A 24 4.925 -5.832 -7.524 1.00 0.00 O ATOM 318 CB ASP A 24 2.649 -7.459 -6.634 1.00 0.00 C ATOM 319 CG ASP A 24 2.536 -8.360 -7.845 1.00 0.00 C ATOM 320 OD1 ASP A 24 3.095 -8.019 -8.902 1.00 0.00 O ATOM 321 OD2 ASP A 24 1.873 -9.414 -7.742 1.00 0.00 O ATOM 0 H ASP A 24 3.481 -5.838 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 24 4.301 -8.503 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.921 -7.771 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.394 -6.439 -6.920 1.00 0.00 H new ATOM 326 N ASP A 25 6.095 -7.737 -7.277 1.00 0.00 N ATOM 327 CA ASP A 25 7.191 -7.311 -8.142 1.00 0.00 C ATOM 328 C ASP A 25 6.905 -7.604 -9.610 1.00 0.00 C ATOM 329 O ASP A 25 7.769 -7.411 -10.466 1.00 0.00 O ATOM 330 CB ASP A 25 8.503 -7.985 -7.728 1.00 0.00 C ATOM 331 CG ASP A 25 9.095 -7.397 -6.462 1.00 0.00 C ATOM 332 OD1 ASP A 25 9.734 -6.325 -6.547 1.00 0.00 O ATOM 333 OD2 ASP A 25 8.934 -8.003 -5.384 1.00 0.00 O ATOM 0 H ASP A 25 6.195 -8.682 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 25 7.287 -6.232 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.327 -9.050 -7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.226 -7.891 -8.539 1.00 0.00 H new ATOM 338 N ASP A 26 5.698 -8.059 -9.908 1.00 0.00 N ATOM 339 CA ASP A 26 5.327 -8.357 -11.288 1.00 0.00 C ATOM 340 C ASP A 26 4.616 -7.167 -11.908 1.00 0.00 C ATOM 341 O ASP A 26 4.999 -6.689 -12.976 1.00 0.00 O ATOM 342 CB ASP A 26 4.425 -9.592 -11.376 1.00 0.00 C ATOM 343 CG ASP A 26 5.112 -10.861 -10.919 1.00 0.00 C ATOM 344 OD1 ASP A 26 5.975 -11.378 -11.660 1.00 0.00 O ATOM 345 OD2 ASP A 26 4.780 -11.356 -9.819 1.00 0.00 O ATOM 0 H ASP A 26 4.963 -8.230 -9.222 1.00 0.00 H new ATOM 0 HA ASP A 26 6.246 -8.565 -11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.535 -9.429 -10.769 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.090 -9.718 -12.406 1.00 0.00 H new ATOM 350 N THR A 27 3.585 -6.691 -11.233 1.00 0.00 N ATOM 351 CA THR A 27 2.815 -5.559 -11.717 1.00 0.00 C ATOM 352 C THR A 27 3.267 -4.263 -11.046 1.00 0.00 C ATOM 353 O THR A 27 3.003 -3.165 -11.544 1.00 0.00 O ATOM 354 CB THR A 27 1.298 -5.777 -11.495 1.00 0.00 C ATOM 355 OG1 THR A 27 0.551 -4.646 -11.958 1.00 0.00 O ATOM 356 CG2 THR A 27 0.981 -6.032 -10.034 1.00 0.00 C ATOM 0 H THR A 27 3.261 -7.073 -10.344 1.00 0.00 H new ATOM 0 HA THR A 27 2.995 -5.475 -12.789 1.00 0.00 H new ATOM 0 HB THR A 27 1.010 -6.658 -12.069 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.151 -3.878 -12.061 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.092 -6.181 -9.915 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.510 -6.923 -9.697 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.297 -5.176 -9.438 1.00 0.00 H new ATOM 364 N GLY A 28 3.966 -4.392 -9.923 1.00 0.00 N ATOM 365 CA GLY A 28 4.463 -3.223 -9.225 1.00 0.00 C ATOM 366 C GLY A 28 3.444 -2.648 -8.267 1.00 0.00 C ATOM 367 O GLY A 28 3.383 -1.434 -8.061 1.00 0.00 O ATOM 0 H GLY A 28 4.196 -5.284 -9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.366 -3.488 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.745 -2.461 -9.952 1.00 0.00 H new ATOM 371 N LEU A 29 2.637 -3.516 -7.675 1.00 0.00 N ATOM 372 CA LEU A 29 1.619 -3.078 -6.732 1.00 0.00 C ATOM 373 C LEU A 29 2.023 -3.433 -5.306 1.00 0.00 C ATOM 374 O LEU A 29 2.905 -4.262 -5.089 1.00 0.00 O ATOM 375 CB LEU A 29 0.260 -3.710 -7.057 1.00 0.00 C ATOM 376 CG LEU A 29 -0.294 -3.405 -8.453 1.00 0.00 C ATOM 377 CD1 LEU A 29 -1.709 -3.940 -8.590 1.00 0.00 C ATOM 378 CD2 LEU A 29 -0.258 -1.915 -8.740 1.00 0.00 C ATOM 0 H LEU A 29 2.667 -4.524 -7.830 1.00 0.00 H new ATOM 0 HA LEU A 29 1.529 -1.995 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.347 -4.791 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.465 -3.372 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 29 0.340 -3.904 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.088 -3.715 -9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.706 -5.019 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.350 -3.470 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.657 -1.727 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.862 -1.388 -8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.771 -1.559 -8.688 1.00 0.00 H new ATOM 390 N VAL A 30 1.384 -2.793 -4.342 1.00 0.00 N ATOM 391 CA VAL A 30 1.647 -3.047 -2.936 1.00 0.00 C ATOM 392 C VAL A 30 0.358 -3.451 -2.230 1.00 0.00 C ATOM 393 O VAL A 30 -0.564 -2.644 -2.095 1.00 0.00 O ATOM 394 CB VAL A 30 2.238 -1.805 -2.235 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.542 -2.102 -0.777 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.491 -1.326 -2.951 1.00 0.00 C ATOM 0 H VAL A 30 0.670 -2.084 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 30 2.376 -3.855 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 30 1.494 -1.010 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.957 -1.212 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.624 -2.390 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.263 -2.917 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.890 -0.450 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.238 -2.120 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.244 -1.064 -3.980 1.00 0.00 H new ATOM 406 N SER A 31 0.294 -4.699 -1.800 1.00 0.00 N ATOM 407 CA SER A 31 -0.881 -5.219 -1.125 1.00 0.00 C ATOM 408 C SER A 31 -0.840 -4.879 0.362 1.00 0.00 C ATOM 409 O SER A 31 -0.137 -5.521 1.145 1.00 0.00 O ATOM 410 CB SER A 31 -0.966 -6.733 -1.324 1.00 0.00 C ATOM 411 OG SER A 31 -0.799 -7.072 -2.692 1.00 0.00 O ATOM 0 H SER A 31 1.049 -5.376 -1.908 1.00 0.00 H new ATOM 0 HA SER A 31 -1.768 -4.755 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.200 -7.226 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.930 -7.097 -0.970 1.00 0.00 H new ATOM 0 HG SER A 31 -0.855 -8.045 -2.797 1.00 0.00 H new ATOM 417 N TYR A 32 -1.584 -3.852 0.742 1.00 0.00 N ATOM 418 CA TYR A 32 -1.652 -3.429 2.130 1.00 0.00 C ATOM 419 C TYR A 32 -2.895 -4.019 2.781 1.00 0.00 C ATOM 420 O TYR A 32 -3.685 -4.702 2.124 1.00 0.00 O ATOM 421 CB TYR A 32 -1.660 -1.896 2.239 1.00 0.00 C ATOM 422 CG TYR A 32 -2.925 -1.231 1.734 1.00 0.00 C ATOM 423 CD1 TYR A 32 -3.208 -1.161 0.378 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.834 -0.662 2.619 1.00 0.00 C ATOM 425 CE1 TYR A 32 -4.354 -0.544 -0.083 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.981 -0.046 2.166 1.00 0.00 C ATOM 427 CZ TYR A 32 -5.236 0.012 0.814 1.00 0.00 C ATOM 428 OH TYR A 32 -6.376 0.633 0.358 1.00 0.00 O ATOM 0 H TYR A 32 -2.152 -3.294 0.104 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.767 -3.793 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.512 -1.619 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.811 -1.501 1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.519 -1.597 -0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.638 -0.703 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.557 -0.498 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.677 0.389 2.868 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.891 0.971 1.120 1.00 0.00 H new ATOM 438 N HIS A 33 -3.073 -3.764 4.065 1.00 0.00 N ATOM 439 CA HIS A 33 -4.202 -4.324 4.784 1.00 0.00 C ATOM 440 C HIS A 33 -5.031 -3.248 5.463 1.00 0.00 C ATOM 441 O HIS A 33 -4.497 -2.363 6.124 1.00 0.00 O ATOM 442 CB HIS A 33 -3.738 -5.314 5.849 1.00 0.00 C ATOM 443 CG HIS A 33 -3.123 -6.573 5.328 1.00 0.00 C ATOM 444 ND1 HIS A 33 -2.020 -7.158 5.907 1.00 0.00 N ATOM 445 CD2 HIS A 33 -3.487 -7.385 4.310 1.00 0.00 C ATOM 446 CE1 HIS A 33 -1.728 -8.273 5.263 1.00 0.00 C ATOM 447 NE2 HIS A 33 -2.606 -8.439 4.289 1.00 0.00 N ATOM 0 H HIS A 33 -2.456 -3.178 4.627 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.815 -4.834 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.014 -4.816 6.494 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.592 -5.578 6.473 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.508 -6.788 6.708 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.318 -7.233 3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.909 -8.938 5.493 1.00 0.00 H new ATOM 456 N ASP A 34 -6.336 -3.340 5.284 1.00 0.00 N ATOM 457 CA ASP A 34 -7.280 -2.548 6.058 1.00 0.00 C ATOM 458 C ASP A 34 -7.245 -3.003 7.507 1.00 0.00 C ATOM 459 O ASP A 34 -6.977 -4.173 7.780 1.00 0.00 O ATOM 460 CB ASP A 34 -8.709 -2.750 5.534 1.00 0.00 C ATOM 461 CG ASP A 34 -9.297 -1.534 4.848 1.00 0.00 C ATOM 462 OD1 ASP A 34 -8.738 -0.427 4.988 1.00 0.00 O ATOM 463 OD2 ASP A 34 -10.343 -1.684 4.177 1.00 0.00 O ATOM 0 H ASP A 34 -6.772 -3.961 4.603 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.001 -1.498 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.712 -3.585 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.353 -3.030 6.367 1.00 0.00 H new ATOM 468 N GLN A 35 -7.553 -2.106 8.431 1.00 0.00 N ATOM 469 CA GLN A 35 -7.751 -2.507 9.819 1.00 0.00 C ATOM 470 C GLN A 35 -9.099 -3.205 9.930 1.00 0.00 C ATOM 471 O GLN A 35 -9.454 -3.770 10.963 1.00 0.00 O ATOM 472 CB GLN A 35 -7.694 -1.304 10.762 1.00 0.00 C ATOM 473 CG GLN A 35 -6.393 -0.525 10.685 1.00 0.00 C ATOM 474 CD GLN A 35 -6.241 0.460 11.825 1.00 0.00 C ATOM 475 OE1 GLN A 35 -6.681 1.603 11.742 1.00 0.00 O ATOM 476 NE2 GLN A 35 -5.604 0.024 12.900 1.00 0.00 N ATOM 0 H GLN A 35 -7.670 -1.109 8.251 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.950 -3.185 10.114 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.522 -0.634 10.531 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.840 -1.649 11.786 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.555 -1.221 10.696 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.349 0.011 9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.253 -0.933 12.932 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.464 0.645 13.697 1.00 0.00 H new ATOM 485 N GLN A 36 -9.834 -3.143 8.829 1.00 0.00 N ATOM 486 CA GLN A 36 -11.115 -3.810 8.681 1.00 0.00 C ATOM 487 C GLN A 36 -10.905 -5.274 8.276 1.00 0.00 C ATOM 488 O GLN A 36 -11.832 -6.081 8.308 1.00 0.00 O ATOM 489 CB GLN A 36 -11.934 -3.060 7.622 1.00 0.00 C ATOM 490 CG GLN A 36 -13.344 -3.587 7.406 1.00 0.00 C ATOM 491 CD GLN A 36 -14.140 -2.735 6.431 1.00 0.00 C ATOM 492 OE1 GLN A 36 -15.367 -2.657 6.515 1.00 0.00 O ATOM 493 NE2 GLN A 36 -13.449 -2.077 5.509 1.00 0.00 N ATOM 0 H GLN A 36 -9.550 -2.619 8.001 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.655 -3.803 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.995 -2.010 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.398 -3.101 6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.293 -4.610 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.866 -3.623 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.434 -2.167 5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.933 -1.481 4.838 1.00 0.00 H new ATOM 502 N GLY A 37 -9.671 -5.608 7.910 1.00 0.00 N ATOM 503 CA GLY A 37 -9.360 -6.965 7.496 1.00 0.00 C ATOM 504 C GLY A 37 -9.462 -7.155 5.996 1.00 0.00 C ATOM 505 O GLY A 37 -9.812 -8.237 5.521 1.00 0.00 O ATOM 0 H GLY A 37 -8.881 -4.963 7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.351 -7.218 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.039 -7.657 7.993 1.00 0.00 H new ATOM 509 N ASN A 38 -9.161 -6.106 5.242 1.00 0.00 N ATOM 510 CA ASN A 38 -9.231 -6.167 3.783 1.00 0.00 C ATOM 511 C ASN A 38 -7.854 -6.037 3.145 1.00 0.00 C ATOM 512 O ASN A 38 -7.105 -5.107 3.442 1.00 0.00 O ATOM 513 CB ASN A 38 -10.141 -5.064 3.238 1.00 0.00 C ATOM 514 CG ASN A 38 -11.611 -5.362 3.441 1.00 0.00 C ATOM 515 OD1 ASN A 38 -12.035 -6.516 3.390 1.00 0.00 O ATOM 516 ND2 ASN A 38 -12.397 -4.325 3.671 1.00 0.00 N ATOM 0 H ASN A 38 -8.866 -5.203 5.613 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.642 -7.143 3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.895 -4.122 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.946 -4.931 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.397 -4.465 3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.004 -3.385 3.705 1.00 0.00 H new ATOM 523 N ALA A 39 -7.523 -6.969 2.267 1.00 0.00 N ATOM 524 CA ALA A 39 -6.292 -6.887 1.499 1.00 0.00 C ATOM 525 C ALA A 39 -6.541 -6.131 0.198 1.00 0.00 C ATOM 526 O ALA A 39 -7.401 -6.511 -0.596 1.00 0.00 O ATOM 527 CB ALA A 39 -5.742 -8.277 1.215 1.00 0.00 C ATOM 0 H ALA A 39 -8.091 -7.793 2.068 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.549 -6.344 2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.820 -8.193 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.536 -8.786 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.475 -8.849 0.646 1.00 0.00 H new ATOM 533 N MET A 40 -5.814 -5.044 0.000 1.00 0.00 N ATOM 534 CA MET A 40 -5.972 -4.221 -1.193 1.00 0.00 C ATOM 535 C MET A 40 -4.608 -3.843 -1.742 1.00 0.00 C ATOM 536 O MET A 40 -3.625 -3.858 -1.013 1.00 0.00 O ATOM 537 CB MET A 40 -6.784 -2.963 -0.875 1.00 0.00 C ATOM 538 CG MET A 40 -8.242 -3.245 -0.556 1.00 0.00 C ATOM 539 SD MET A 40 -9.153 -1.771 -0.062 1.00 0.00 S ATOM 540 CE MET A 40 -8.440 -1.472 1.555 1.00 0.00 C ATOM 0 H MET A 40 -5.105 -4.708 0.652 1.00 0.00 H new ATOM 0 HA MET A 40 -6.512 -4.795 -1.946 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.328 -2.451 -0.028 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.732 -2.282 -1.725 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.721 -3.685 -1.431 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.297 -3.984 0.243 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.736 -0.483 1.906 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.797 -2.227 2.255 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.353 -1.523 1.489 1.00 0.00 H new ATOM 550 N GLN A 41 -4.545 -3.505 -3.018 1.00 0.00 N ATOM 551 CA GLN A 41 -3.269 -3.215 -3.655 1.00 0.00 C ATOM 552 C GLN A 41 -3.228 -1.787 -4.185 1.00 0.00 C ATOM 553 O GLN A 41 -4.104 -1.375 -4.944 1.00 0.00 O ATOM 554 CB GLN A 41 -3.014 -4.181 -4.816 1.00 0.00 C ATOM 555 CG GLN A 41 -3.174 -5.652 -4.460 1.00 0.00 C ATOM 556 CD GLN A 41 -2.771 -6.571 -5.600 1.00 0.00 C ATOM 557 OE1 GLN A 41 -3.581 -6.897 -6.467 1.00 0.00 O ATOM 558 NE2 GLN A 41 -1.522 -7.012 -5.597 1.00 0.00 N ATOM 0 H GLN A 41 -5.356 -3.424 -3.632 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.494 -3.337 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.699 -3.940 -5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.004 -4.019 -5.192 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.568 -5.879 -3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.212 -5.847 -4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.880 -6.719 -4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.203 -7.644 -6.331 1.00 0.00 H new ATOM 567 N ILE A 42 -2.220 -1.033 -3.777 1.00 0.00 N ATOM 568 CA ILE A 42 -1.957 0.264 -4.381 1.00 0.00 C ATOM 569 C ILE A 42 -0.739 0.134 -5.283 1.00 0.00 C ATOM 570 O ILE A 42 -0.173 -0.948 -5.399 1.00 0.00 O ATOM 571 CB ILE A 42 -1.702 1.385 -3.345 1.00 0.00 C ATOM 572 CG1 ILE A 42 -0.295 1.283 -2.747 1.00 0.00 C ATOM 573 CG2 ILE A 42 -2.745 1.344 -2.240 1.00 0.00 C ATOM 574 CD1 ILE A 42 0.209 2.605 -2.219 1.00 0.00 C ATOM 0 H ILE A 42 -1.573 -1.295 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.848 0.551 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.781 2.339 -3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.300 0.551 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.393 0.914 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.547 2.140 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.737 1.482 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.700 0.380 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.210 2.475 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.243 3.332 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.461 2.964 -1.438 1.00 0.00 H new ATOM 586 N ASN A 43 -0.330 1.213 -5.918 1.00 0.00 N ATOM 587 CA ASN A 43 0.874 1.180 -6.736 1.00 0.00 C ATOM 588 C ASN A 43 2.111 1.324 -5.862 1.00 0.00 C ATOM 589 O ASN A 43 2.093 2.049 -4.870 1.00 0.00 O ATOM 590 CB ASN A 43 0.871 2.303 -7.774 1.00 0.00 C ATOM 591 CG ASN A 43 -0.272 2.206 -8.760 1.00 0.00 C ATOM 592 OD1 ASN A 43 -0.217 1.443 -9.724 1.00 0.00 O ATOM 593 ND2 ASN A 43 -1.292 3.023 -8.553 1.00 0.00 N ATOM 0 H ASN A 43 -0.804 2.116 -5.887 1.00 0.00 H new ATOM 0 HA ASN A 43 0.892 0.220 -7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.817 3.263 -7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.814 2.286 -8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.075 3.037 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.295 3.639 -7.740 1.00 0.00 H new ATOM 600 N ARG A 44 3.193 0.647 -6.233 1.00 0.00 N ATOM 601 CA ARG A 44 4.474 0.845 -5.560 1.00 0.00 C ATOM 602 C ARG A 44 5.021 2.214 -5.949 1.00 0.00 C ATOM 603 O ARG A 44 5.972 2.728 -5.362 1.00 0.00 O ATOM 604 CB ARG A 44 5.461 -0.272 -5.923 1.00 0.00 C ATOM 605 CG ARG A 44 6.744 -0.234 -5.109 1.00 0.00 C ATOM 606 CD ARG A 44 7.565 -1.503 -5.272 1.00 0.00 C ATOM 607 NE ARG A 44 8.005 -1.711 -6.648 1.00 0.00 N ATOM 608 CZ ARG A 44 8.538 -2.849 -7.091 1.00 0.00 C ATOM 609 NH1 ARG A 44 8.673 -3.885 -6.267 1.00 0.00 N ATOM 610 NH2 ARG A 44 8.942 -2.952 -8.349 1.00 0.00 N ATOM 0 H ARG A 44 3.210 -0.038 -6.989 1.00 0.00 H new ATOM 0 HA ARG A 44 4.332 0.806 -4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.976 -1.237 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.709 -0.197 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.341 0.625 -5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.500 -0.094 -4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.436 -1.455 -4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.972 -2.359 -4.950 1.00 0.00 H new ATOM 0 HE ARG A 44 7.898 -0.941 -7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.368 -3.808 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.081 -4.756 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.845 -2.158 -8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.349 -3.825 -8.684 1.00 0.00 H new ATOM 624 N ASP A 45 4.375 2.793 -6.945 1.00 0.00 N ATOM 625 CA ASP A 45 4.631 4.157 -7.371 1.00 0.00 C ATOM 626 C ASP A 45 4.040 5.141 -6.362 1.00 0.00 C ATOM 627 O ASP A 45 4.462 6.296 -6.277 1.00 0.00 O ATOM 628 CB ASP A 45 3.996 4.364 -8.749 1.00 0.00 C ATOM 629 CG ASP A 45 4.243 5.738 -9.338 1.00 0.00 C ATOM 630 OD1 ASP A 45 3.450 6.660 -9.063 1.00 0.00 O ATOM 631 OD2 ASP A 45 5.215 5.888 -10.107 1.00 0.00 O ATOM 0 H ASP A 45 3.649 2.324 -7.487 1.00 0.00 H new ATOM 0 HA ASP A 45 5.705 4.333 -7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.384 3.610 -9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.921 4.200 -8.671 1.00 0.00 H new ATOM 636 N ASP A 46 3.075 4.663 -5.577 1.00 0.00 N ATOM 637 CA ASP A 46 2.337 5.528 -4.661 1.00 0.00 C ATOM 638 C ASP A 46 2.809 5.388 -3.215 1.00 0.00 C ATOM 639 O ASP A 46 2.440 6.198 -2.370 1.00 0.00 O ATOM 640 CB ASP A 46 0.829 5.250 -4.732 1.00 0.00 C ATOM 641 CG ASP A 46 0.206 5.652 -6.056 1.00 0.00 C ATOM 642 OD1 ASP A 46 0.434 6.796 -6.505 1.00 0.00 O ATOM 643 OD2 ASP A 46 -0.525 4.826 -6.644 1.00 0.00 O ATOM 0 H ASP A 46 2.788 3.685 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 46 2.535 6.550 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.654 4.187 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.329 5.787 -3.925 1.00 0.00 H new ATOM 648 N VAL A 47 3.600 4.365 -2.911 1.00 0.00 N ATOM 649 CA VAL A 47 4.157 4.230 -1.561 1.00 0.00 C ATOM 650 C VAL A 47 5.353 5.159 -1.391 1.00 0.00 C ATOM 651 O VAL A 47 5.964 5.583 -2.376 1.00 0.00 O ATOM 652 CB VAL A 47 4.586 2.782 -1.217 1.00 0.00 C ATOM 653 CG1 VAL A 47 3.381 1.880 -1.019 1.00 0.00 C ATOM 654 CG2 VAL A 47 5.493 2.216 -2.290 1.00 0.00 C ATOM 0 H VAL A 47 3.869 3.628 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 47 3.357 4.503 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 47 5.139 2.821 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.717 0.871 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.770 2.263 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.789 1.857 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.780 1.199 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.966 2.207 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.387 2.835 -2.375 1.00 0.00 H new ATOM 664 N SER A 48 5.687 5.479 -0.148 1.00 0.00 N ATOM 665 CA SER A 48 6.768 6.411 0.122 1.00 0.00 C ATOM 666 C SER A 48 7.418 6.143 1.479 1.00 0.00 C ATOM 667 O SER A 48 8.598 5.796 1.553 1.00 0.00 O ATOM 668 CB SER A 48 6.230 7.843 0.059 1.00 0.00 C ATOM 669 OG SER A 48 7.237 8.801 0.339 1.00 0.00 O ATOM 0 H SER A 48 5.227 5.108 0.683 1.00 0.00 H new ATOM 0 HA SER A 48 7.538 6.275 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.816 8.031 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.414 7.956 0.773 1.00 0.00 H new ATOM 0 HG SER A 48 6.855 9.702 0.287 1.00 0.00 H new ATOM 675 N GLN A 49 6.643 6.279 2.548 1.00 0.00 N ATOM 676 CA GLN A 49 7.191 6.214 3.895 1.00 0.00 C ATOM 677 C GLN A 49 6.581 5.055 4.677 1.00 0.00 C ATOM 678 O GLN A 49 5.462 5.147 5.180 1.00 0.00 O ATOM 679 CB GLN A 49 6.945 7.544 4.617 1.00 0.00 C ATOM 680 CG GLN A 49 7.549 7.620 6.009 1.00 0.00 C ATOM 681 CD GLN A 49 7.232 8.933 6.696 1.00 0.00 C ATOM 682 OE1 GLN A 49 7.980 9.904 6.586 1.00 0.00 O ATOM 683 NE2 GLN A 49 6.117 8.970 7.407 1.00 0.00 N ATOM 0 H GLN A 49 5.636 6.435 2.508 1.00 0.00 H new ATOM 0 HA GLN A 49 8.265 6.039 3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.353 8.354 4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.870 7.711 4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.172 6.795 6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.630 7.498 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.526 8.141 7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.849 9.827 7.891 1.00 0.00 H new ATOM 692 N ILE A 50 7.320 3.961 4.760 1.00 0.00 N ATOM 693 CA ILE A 50 6.876 2.788 5.498 1.00 0.00 C ATOM 694 C ILE A 50 7.777 2.565 6.709 1.00 0.00 C ATOM 695 O ILE A 50 8.944 2.193 6.572 1.00 0.00 O ATOM 696 CB ILE A 50 6.878 1.522 4.609 1.00 0.00 C ATOM 697 CG1 ILE A 50 6.006 1.742 3.368 1.00 0.00 C ATOM 698 CG2 ILE A 50 6.385 0.314 5.400 1.00 0.00 C ATOM 699 CD1 ILE A 50 6.026 0.585 2.392 1.00 0.00 C ATOM 0 H ILE A 50 8.236 3.860 4.323 1.00 0.00 H new ATOM 0 HA ILE A 50 5.853 2.969 5.827 1.00 0.00 H new ATOM 0 HB ILE A 50 7.900 1.327 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.978 1.920 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.342 2.643 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.393 -0.568 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.040 0.147 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.370 0.499 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.385 0.816 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.046 0.420 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.661 -0.315 2.887 1.00 0.00 H new ATOM 711 N ILE A 51 7.235 2.807 7.892 1.00 0.00 N ATOM 712 CA ILE A 51 8.016 2.715 9.120 1.00 0.00 C ATOM 713 C ILE A 51 7.714 1.412 9.863 1.00 0.00 C ATOM 714 O ILE A 51 8.434 1.035 10.786 1.00 0.00 O ATOM 715 CB ILE A 51 7.735 3.926 10.044 1.00 0.00 C ATOM 716 CG1 ILE A 51 7.840 5.233 9.250 1.00 0.00 C ATOM 717 CG2 ILE A 51 8.713 3.948 11.213 1.00 0.00 C ATOM 718 CD1 ILE A 51 7.521 6.472 10.061 1.00 0.00 C ATOM 0 H ILE A 51 6.259 3.068 8.030 1.00 0.00 H new ATOM 0 HA ILE A 51 9.070 2.723 8.843 1.00 0.00 H new ATOM 0 HB ILE A 51 6.723 3.829 10.438 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.850 5.323 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.162 5.184 8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.499 4.806 11.850 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.608 3.031 11.792 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.732 4.023 10.833 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.617 7.355 9.429 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.501 6.406 10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.215 6.547 10.898 1.00 0.00 H new ATOM 730 N GLU A 52 6.658 0.722 9.429 1.00 0.00 N ATOM 731 CA GLU A 52 6.237 -0.535 10.053 1.00 0.00 C ATOM 732 C GLU A 52 7.404 -1.512 10.131 1.00 0.00 C ATOM 733 O GLU A 52 7.969 -1.747 11.198 1.00 0.00 O ATOM 734 CB GLU A 52 5.116 -1.185 9.246 1.00 0.00 C ATOM 735 CG GLU A 52 4.040 -0.225 8.784 1.00 0.00 C ATOM 736 CD GLU A 52 3.010 -0.917 7.920 1.00 0.00 C ATOM 737 OE1 GLU A 52 3.413 -1.647 6.991 1.00 0.00 O ATOM 738 OE2 GLU A 52 1.806 -0.739 8.176 1.00 0.00 O ATOM 0 H GLU A 52 6.076 1.014 8.644 1.00 0.00 H new ATOM 0 HA GLU A 52 5.883 -0.303 11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.549 -1.673 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.654 -1.965 9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.550 0.218 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.496 0.591 8.224 1.00 0.00 H new ATOM 745 N ARG A 53 7.742 -2.074 8.972 1.00 0.00 N ATOM 746 CA ARG A 53 8.886 -2.960 8.825 1.00 0.00 C ATOM 747 C ARG A 53 8.791 -4.156 9.780 1.00 0.00 C ATOM 748 O ARG A 53 7.933 -5.018 9.596 1.00 0.00 O ATOM 749 CB ARG A 53 10.181 -2.162 9.017 1.00 0.00 C ATOM 750 CG ARG A 53 11.458 -2.937 8.728 1.00 0.00 C ATOM 751 CD ARG A 53 12.662 -2.008 8.681 1.00 0.00 C ATOM 752 NE ARG A 53 12.797 -1.186 9.887 1.00 0.00 N ATOM 753 CZ ARG A 53 12.933 0.141 9.867 1.00 0.00 C ATOM 754 NH1 ARG A 53 12.833 0.802 8.724 1.00 0.00 N ATOM 755 NH2 ARG A 53 13.135 0.817 10.990 1.00 0.00 N ATOM 0 H ARG A 53 7.224 -1.924 8.106 1.00 0.00 H new ATOM 0 HA ARG A 53 8.891 -3.375 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.150 -1.286 8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.218 -1.798 10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.609 -3.695 9.497 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.362 -3.462 7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.567 -2.601 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.578 -1.357 7.811 1.00 0.00 H new ATOM 0 HE ARG A 53 12.786 -1.655 10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.652 0.297 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.937 1.817 8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.188 0.322 11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.238 1.831 10.963 1.00 0.00 H new TER 769 ARG A 53