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 Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -170:sc= -2.54 (180deg=-3.02) USER MOD Single : A 9 THR OG1 : rot -77:sc= 0.126 USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.02) USER MOD Single : A 14 MET CE :methyl -142:sc= -0.187 (180deg=-1.62) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.15) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 31 SER OG : rot 180:sc= -1.61! USER MOD Single : A 32 TYR OH : rot 62:sc= 1.42 USER MOD Single : A 33 HIS : no HD1:sc=-0.00909 X(o=-0.0091,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.82) USER MOD Single : A 36 GLN : amide:sc= -0.0065 K(o=-0.0065,f=-0.51) USER MOD Single : A 38 ASN : amide:sc= -0.0959 K(o=-0.096,f=-0.94) USER MOD Single : A 40 MET CE :methyl 157:sc= -0.0116 (180deg=-1.23) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0226 K(o=-0.023,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 -0.276 -0.722 16.622 1.00 0.00 N ATOM 2 CA ASP A 4 -0.691 0.474 15.907 1.00 0.00 C ATOM 3 C ASP A 4 0.224 0.675 14.704 1.00 0.00 C ATOM 4 O ASP A 4 1.434 0.851 14.864 1.00 0.00 O ATOM 5 CB ASP A 4 -0.624 1.692 16.839 1.00 0.00 C ATOM 6 CG ASP A 4 -1.229 2.948 16.233 1.00 0.00 C ATOM 7 OD1 ASP A 4 -0.669 3.476 15.253 1.00 0.00 O ATOM 8 OD2 ASP A 4 -2.254 3.435 16.759 1.00 0.00 O ATOM 0 HA ASP A 4 -1.719 0.360 15.564 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.144 1.459 17.768 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.417 1.887 17.097 1.00 0.00 H new ATOM 13 N TYR A 5 -0.339 0.608 13.508 1.00 0.00 N ATOM 14 CA TYR A 5 0.458 0.714 12.294 1.00 0.00 C ATOM 15 C TYR A 5 -0.076 1.801 11.369 1.00 0.00 C ATOM 16 O TYR A 5 -1.252 2.170 11.427 1.00 0.00 O ATOM 17 CB TYR A 5 0.499 -0.628 11.557 1.00 0.00 C ATOM 18 CG TYR A 5 1.301 -1.695 12.270 1.00 0.00 C ATOM 19 CD1 TYR A 5 2.687 -1.734 12.161 1.00 0.00 C ATOM 20 CD2 TYR A 5 0.675 -2.663 13.048 1.00 0.00 C ATOM 21 CE1 TYR A 5 3.425 -2.708 12.807 1.00 0.00 C ATOM 22 CE2 TYR A 5 1.408 -3.639 13.697 1.00 0.00 C ATOM 23 CZ TYR A 5 2.781 -3.657 13.572 1.00 0.00 C ATOM 24 OH TYR A 5 3.517 -4.626 14.217 1.00 0.00 O ATOM 0 H TYR A 5 -1.339 0.481 13.351 1.00 0.00 H new ATOM 0 HA TYR A 5 1.471 0.988 12.590 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.521 -0.986 11.418 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.921 -0.473 10.564 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.194 -0.992 11.562 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.400 -2.652 13.147 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.501 -2.725 12.713 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.908 -4.383 14.299 1.00 0.00 H new ATOM 0 HH TYR A 5 2.914 -5.217 14.715 1.00 0.00 H new ATOM 34 N VAL A 6 0.805 2.307 10.521 1.00 0.00 N ATOM 35 CA VAL A 6 0.462 3.336 9.560 1.00 0.00 C ATOM 36 C VAL A 6 1.479 3.318 8.423 1.00 0.00 C ATOM 37 O VAL A 6 2.610 2.870 8.609 1.00 0.00 O ATOM 38 CB VAL A 6 0.421 4.736 10.226 1.00 0.00 C ATOM 39 CG1 VAL A 6 1.800 5.150 10.724 1.00 0.00 C ATOM 40 CG2 VAL A 6 -0.154 5.781 9.278 1.00 0.00 C ATOM 0 H VAL A 6 1.781 2.013 10.482 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.533 3.131 9.166 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.240 4.671 11.090 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.739 6.135 11.186 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.154 4.426 11.458 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.495 5.185 9.885 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.170 6.752 9.773 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.465 5.840 8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.169 5.499 8.999 1.00 0.00 H new ATOM 50 N MET A 7 1.066 3.757 7.245 1.00 0.00 N ATOM 51 CA MET A 7 1.957 3.805 6.096 1.00 0.00 C ATOM 52 C MET A 7 1.897 5.183 5.444 1.00 0.00 C ATOM 53 O MET A 7 0.813 5.704 5.160 1.00 0.00 O ATOM 54 CB MET A 7 1.589 2.698 5.097 1.00 0.00 C ATOM 55 CG MET A 7 2.545 2.569 3.918 1.00 0.00 C ATOM 56 SD MET A 7 2.109 3.637 2.533 1.00 0.00 S ATOM 57 CE MET A 7 0.535 2.928 2.061 1.00 0.00 C ATOM 0 H MET A 7 0.119 4.086 7.059 1.00 0.00 H new ATOM 0 HA MET A 7 2.981 3.633 6.427 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.554 1.746 5.626 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.586 2.888 4.716 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.555 2.808 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.558 1.533 3.580 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.213 3.356 1.112 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.639 1.848 1.955 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.208 3.147 2.828 1.00 0.00 H new ATOM 67 N ALA A 8 3.064 5.770 5.224 1.00 0.00 N ATOM 68 CA ALA A 8 3.165 7.112 4.673 1.00 0.00 C ATOM 69 C ALA A 8 3.336 7.062 3.162 1.00 0.00 C ATOM 70 O ALA A 8 4.327 6.534 2.651 1.00 0.00 O ATOM 71 CB ALA A 8 4.326 7.858 5.314 1.00 0.00 C ATOM 0 H ALA A 8 3.963 5.331 5.422 1.00 0.00 H new ATOM 0 HA ALA A 8 2.241 7.646 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.391 8.861 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.165 7.926 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.255 7.322 5.119 1.00 0.00 H new ATOM 77 N THR A 9 2.372 7.612 2.447 1.00 0.00 N ATOM 78 CA THR A 9 2.417 7.604 0.995 1.00 0.00 C ATOM 79 C THR A 9 3.114 8.844 0.455 1.00 0.00 C ATOM 80 O THR A 9 3.381 9.795 1.192 1.00 0.00 O ATOM 81 CB THR A 9 1.007 7.549 0.398 1.00 0.00 C ATOM 82 OG1 THR A 9 0.263 8.694 0.828 1.00 0.00 O ATOM 83 CG2 THR A 9 0.284 6.276 0.807 1.00 0.00 C ATOM 0 H THR A 9 1.551 8.068 2.845 1.00 0.00 H new ATOM 0 HA THR A 9 2.976 6.714 0.706 1.00 0.00 H new ATOM 0 HB THR A 9 1.092 7.551 -0.689 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.029 8.565 1.754 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.713 6.267 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.844 5.410 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.202 6.237 1.893 1.00 0.00 H new ATOM 91 N LYS A 10 3.403 8.827 -0.839 1.00 0.00 N ATOM 92 CA LYS A 10 3.977 9.979 -1.511 1.00 0.00 C ATOM 93 C LYS A 10 2.886 11.011 -1.775 1.00 0.00 C ATOM 94 O LYS A 10 3.160 12.205 -1.924 1.00 0.00 O ATOM 95 CB LYS A 10 4.643 9.551 -2.824 1.00 0.00 C ATOM 96 CG LYS A 10 5.336 10.688 -3.559 1.00 0.00 C ATOM 97 CD LYS A 10 6.158 10.186 -4.734 1.00 0.00 C ATOM 98 CE LYS A 10 5.297 9.463 -5.758 1.00 0.00 C ATOM 99 NZ LYS A 10 6.099 8.993 -6.915 1.00 0.00 N ATOM 0 H LYS A 10 3.247 8.022 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 10 4.739 10.425 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.373 8.769 -2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.888 9.114 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.590 11.398 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.983 11.226 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.661 11.027 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.935 9.513 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.807 8.612 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.510 10.131 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.466 8.596 -7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.627 9.793 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.767 8.261 -6.600 1.00 0.00 H new ATOM 113 N ASP A 11 1.644 10.533 -1.823 1.00 0.00 N ATOM 114 CA ASP A 11 0.482 11.398 -1.998 1.00 0.00 C ATOM 115 C ASP A 11 0.336 12.356 -0.819 1.00 0.00 C ATOM 116 O ASP A 11 0.025 13.536 -0.996 1.00 0.00 O ATOM 117 CB ASP A 11 -0.786 10.552 -2.146 1.00 0.00 C ATOM 118 CG ASP A 11 -2.059 11.381 -2.127 1.00 0.00 C ATOM 119 OD1 ASP A 11 -2.423 11.959 -3.176 1.00 0.00 O ATOM 120 OD2 ASP A 11 -2.705 11.457 -1.060 1.00 0.00 O ATOM 0 H ASP A 11 1.417 9.542 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 11 0.627 11.987 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.737 9.994 -3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.824 9.820 -1.339 1.00 0.00 H new ATOM 125 N GLY A 12 0.572 11.843 0.381 1.00 0.00 N ATOM 126 CA GLY A 12 0.450 12.657 1.577 1.00 0.00 C ATOM 127 C GLY A 12 -0.505 12.042 2.575 1.00 0.00 C ATOM 128 O GLY A 12 -0.497 12.381 3.761 1.00 0.00 O ATOM 0 H GLY A 12 0.847 10.875 0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.431 12.777 2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.101 13.653 1.305 1.00 0.00 H new ATOM 132 N ARG A 13 -1.332 11.132 2.083 1.00 0.00 N ATOM 133 CA ARG A 13 -2.277 10.409 2.918 1.00 0.00 C ATOM 134 C ARG A 13 -1.542 9.421 3.827 1.00 0.00 C ATOM 135 O ARG A 13 -0.598 8.740 3.399 1.00 0.00 O ATOM 136 CB ARG A 13 -3.293 9.674 2.033 1.00 0.00 C ATOM 137 CG ARG A 13 -2.641 8.764 1.005 1.00 0.00 C ATOM 138 CD ARG A 13 -3.634 8.215 -0.003 1.00 0.00 C ATOM 139 NE ARG A 13 -2.965 7.399 -1.017 1.00 0.00 N ATOM 140 CZ ARG A 13 -3.555 6.924 -2.111 1.00 0.00 C ATOM 141 NH1 ARG A 13 -4.834 7.189 -2.359 1.00 0.00 N ATOM 142 NH2 ARG A 13 -2.859 6.186 -2.961 1.00 0.00 N ATOM 0 H ARG A 13 -1.366 10.875 1.097 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.808 11.120 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.955 9.082 2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.914 10.407 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.862 9.316 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.153 7.935 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.385 7.616 0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.160 9.039 -0.485 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.979 7.179 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.372 7.761 -1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.277 6.820 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.876 5.984 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.305 5.819 -3.802 1.00 0.00 H new ATOM 156 N MET A 14 -1.961 9.365 5.084 1.00 0.00 N ATOM 157 CA MET A 14 -1.388 8.432 6.044 1.00 0.00 C ATOM 158 C MET A 14 -2.318 7.242 6.207 1.00 0.00 C ATOM 159 O MET A 14 -3.277 7.295 6.975 1.00 0.00 O ATOM 160 CB MET A 14 -1.170 9.110 7.402 1.00 0.00 C ATOM 161 CG MET A 14 -0.220 10.297 7.364 1.00 0.00 C ATOM 162 SD MET A 14 1.463 9.842 6.899 1.00 0.00 S ATOM 163 CE MET A 14 1.884 8.691 8.209 1.00 0.00 C ATOM 0 H MET A 14 -2.699 9.958 5.464 1.00 0.00 H new ATOM 0 HA MET A 14 -0.421 8.096 5.670 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.134 9.443 7.787 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.783 8.372 8.105 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.599 11.035 6.657 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.204 10.773 8.344 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.927 8.830 8.494 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.245 8.873 9.073 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.736 7.670 7.857 1.00 0.00 H new ATOM 173 N ILE A 15 -2.053 6.180 5.465 1.00 0.00 N ATOM 174 CA ILE A 15 -2.940 5.028 5.454 1.00 0.00 C ATOM 175 C ILE A 15 -2.739 4.175 6.699 1.00 0.00 C ATOM 176 O ILE A 15 -1.663 3.617 6.918 1.00 0.00 O ATOM 177 CB ILE A 15 -2.738 4.162 4.188 1.00 0.00 C ATOM 178 CG1 ILE A 15 -3.013 4.997 2.931 1.00 0.00 C ATOM 179 CG2 ILE A 15 -3.645 2.936 4.224 1.00 0.00 C ATOM 180 CD1 ILE A 15 -2.813 4.240 1.635 1.00 0.00 C ATOM 0 H ILE A 15 -1.234 6.091 4.864 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.960 5.411 5.446 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.704 3.818 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.038 5.367 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.359 5.869 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.488 2.340 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.410 2.335 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.686 3.255 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.027 4.898 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.782 3.893 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.486 3.383 1.606 1.00 0.00 H new ATOM 192 N LEU A 16 -3.775 4.102 7.521 1.00 0.00 N ATOM 193 CA LEU A 16 -3.755 3.267 8.708 1.00 0.00 C ATOM 194 C LEU A 16 -3.835 1.804 8.290 1.00 0.00 C ATOM 195 O LEU A 16 -4.785 1.395 7.628 1.00 0.00 O ATOM 196 CB LEU A 16 -4.928 3.602 9.649 1.00 0.00 C ATOM 197 CG LEU A 16 -5.012 5.046 10.165 1.00 0.00 C ATOM 198 CD1 LEU A 16 -3.658 5.531 10.655 1.00 0.00 C ATOM 199 CD2 LEU A 16 -5.574 5.982 9.103 1.00 0.00 C ATOM 0 H LEU A 16 -4.645 4.616 7.384 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.827 3.455 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.858 3.373 9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.873 2.936 10.510 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.699 5.054 11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.747 6.556 11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.314 4.890 11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.940 5.495 9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.621 6.996 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.929 5.965 8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.576 5.655 8.823 1.00 0.00 H new ATOM 211 N THR A 17 -2.841 1.022 8.665 1.00 0.00 N ATOM 212 CA THR A 17 -2.770 -0.359 8.228 1.00 0.00 C ATOM 213 C THR A 17 -2.849 -1.319 9.407 1.00 0.00 C ATOM 214 O THR A 17 -2.477 -0.973 10.530 1.00 0.00 O ATOM 215 CB THR A 17 -1.468 -0.623 7.439 1.00 0.00 C ATOM 216 OG1 THR A 17 -0.348 -0.065 8.142 1.00 0.00 O ATOM 217 CG2 THR A 17 -1.540 -0.017 6.042 1.00 0.00 C ATOM 0 H THR A 17 -2.074 1.318 9.269 1.00 0.00 H new ATOM 0 HA THR A 17 -3.626 -0.533 7.576 1.00 0.00 H new ATOM 0 HB THR A 17 -1.345 -1.702 7.344 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.474 -0.238 7.637 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.610 -0.218 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.374 -0.459 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.688 1.060 6.120 1.00 0.00 H new ATOM 225 N ASP A 18 -3.368 -2.509 9.151 1.00 0.00 N ATOM 226 CA ASP A 18 -3.264 -3.605 10.100 1.00 0.00 C ATOM 227 C ASP A 18 -1.844 -4.133 10.028 1.00 0.00 C ATOM 228 O ASP A 18 -1.268 -4.596 11.011 1.00 0.00 O ATOM 229 CB ASP A 18 -4.264 -4.712 9.758 1.00 0.00 C ATOM 230 CG ASP A 18 -4.192 -5.885 10.714 1.00 0.00 C ATOM 231 OD1 ASP A 18 -4.817 -5.818 11.792 1.00 0.00 O ATOM 232 OD2 ASP A 18 -3.528 -6.890 10.385 1.00 0.00 O ATOM 0 H ASP A 18 -3.867 -2.741 8.292 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.494 -3.259 11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.273 -4.300 9.771 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.076 -5.064 8.744 1.00 0.00 H new ATOM 237 N GLY A 19 -1.297 -4.034 8.827 1.00 0.00 N ATOM 238 CA GLY A 19 0.106 -4.311 8.595 1.00 0.00 C ATOM 239 C GLY A 19 0.277 -4.997 7.270 1.00 0.00 C ATOM 240 O GLY A 19 -0.655 -4.973 6.460 1.00 0.00 O ATOM 0 H GLY A 19 -1.813 -3.760 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.677 -3.383 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.499 -4.940 9.394 1.00 0.00 H new ATOM 244 N LYS A 20 1.450 -5.579 7.008 1.00 0.00 N ATOM 245 CA LYS A 20 1.522 -6.577 5.951 1.00 0.00 C ATOM 246 C LYS A 20 1.431 -6.000 4.540 1.00 0.00 C ATOM 247 O LYS A 20 0.367 -6.024 3.924 1.00 0.00 O ATOM 248 CB LYS A 20 0.472 -7.678 6.141 1.00 0.00 C ATOM 249 CG LYS A 20 0.852 -8.703 7.197 1.00 0.00 C ATOM 250 CD LYS A 20 2.127 -9.439 6.817 1.00 0.00 C ATOM 251 CE LYS A 20 1.990 -10.125 5.469 1.00 0.00 C ATOM 252 NZ LYS A 20 3.276 -10.700 5.006 1.00 0.00 N ATOM 0 H LYS A 20 2.326 -5.385 7.493 1.00 0.00 H new ATOM 0 HA LYS A 20 2.518 -7.010 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.478 -7.220 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.316 -8.188 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.989 -8.206 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.039 -9.419 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.959 -8.736 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.363 -10.179 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.243 -10.916 5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.627 -9.408 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.251 -10.819 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.055 -10.060 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.425 -11.625 5.458 1.00 0.00 H new ATOM 266 N PRO A 21 2.537 -5.455 4.015 1.00 0.00 N ATOM 267 CA PRO A 21 2.610 -5.003 2.642 1.00 0.00 C ATOM 268 C PRO A 21 3.174 -6.083 1.720 1.00 0.00 C ATOM 269 O PRO A 21 4.389 -6.231 1.583 1.00 0.00 O ATOM 270 CB PRO A 21 3.561 -3.812 2.736 1.00 0.00 C ATOM 271 CG PRO A 21 4.470 -4.122 3.887 1.00 0.00 C ATOM 272 CD PRO A 21 3.804 -5.202 4.719 1.00 0.00 C ATOM 0 HA PRO A 21 1.636 -4.755 2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.125 -3.685 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.014 -2.884 2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.442 -4.460 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.646 -3.229 4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.418 -6.101 4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.633 -4.870 5.743 1.00 0.00 H new ATOM 280 N GLU A 22 2.288 -6.856 1.115 1.00 0.00 N ATOM 281 CA GLU A 22 2.694 -7.924 0.220 1.00 0.00 C ATOM 282 C GLU A 22 2.879 -7.355 -1.183 1.00 0.00 C ATOM 283 O GLU A 22 1.910 -7.136 -1.910 1.00 0.00 O ATOM 284 CB GLU A 22 1.644 -9.038 0.220 1.00 0.00 C ATOM 285 CG GLU A 22 2.230 -10.433 0.098 1.00 0.00 C ATOM 286 CD GLU A 22 3.098 -10.807 1.287 1.00 0.00 C ATOM 287 OE1 GLU A 22 2.548 -11.056 2.381 1.00 0.00 O ATOM 288 OE2 GLU A 22 4.335 -10.869 1.131 1.00 0.00 O ATOM 0 H GLU A 22 1.279 -6.762 1.229 1.00 0.00 H new ATOM 0 HA GLU A 22 3.638 -8.350 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.064 -8.977 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.951 -8.872 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.420 -11.156 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.823 -10.496 -0.814 1.00 0.00 H new ATOM 295 N ILE A 23 4.122 -7.082 -1.541 1.00 0.00 N ATOM 296 CA ILE A 23 4.427 -6.396 -2.788 1.00 0.00 C ATOM 297 C ILE A 23 4.517 -7.371 -3.956 1.00 0.00 C ATOM 298 O ILE A 23 5.271 -8.344 -3.911 1.00 0.00 O ATOM 299 CB ILE A 23 5.752 -5.611 -2.683 1.00 0.00 C ATOM 300 CG1 ILE A 23 5.722 -4.672 -1.469 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.012 -4.826 -3.965 1.00 0.00 C ATOM 302 CD1 ILE A 23 7.008 -3.899 -1.261 1.00 0.00 C ATOM 0 H ILE A 23 4.941 -7.326 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 23 3.609 -5.700 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 23 6.567 -6.322 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.900 -3.966 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.512 -5.258 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.950 -4.279 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.075 -5.515 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.197 -4.122 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.910 -3.258 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.831 -4.597 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.210 -3.285 -2.139 1.00 0.00 H new ATOM 314 N ASP A 24 3.735 -7.107 -4.993 1.00 0.00 N ATOM 315 CA ASP A 24 3.812 -7.865 -6.232 1.00 0.00 C ATOM 316 C ASP A 24 4.644 -7.096 -7.247 1.00 0.00 C ATOM 317 O ASP A 24 4.202 -6.086 -7.798 1.00 0.00 O ATOM 318 CB ASP A 24 2.419 -8.157 -6.791 1.00 0.00 C ATOM 319 CG ASP A 24 1.760 -9.332 -6.100 1.00 0.00 C ATOM 320 OD1 ASP A 24 2.071 -10.486 -6.461 1.00 0.00 O ATOM 321 OD2 ASP A 24 0.925 -9.115 -5.195 1.00 0.00 O ATOM 0 H ASP A 24 3.034 -6.366 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 24 4.290 -8.823 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.792 -7.273 -6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.493 -8.361 -7.859 1.00 0.00 H new ATOM 326 N ASP A 25 5.849 -7.588 -7.485 1.00 0.00 N ATOM 327 CA ASP A 25 6.842 -6.877 -8.282 1.00 0.00 C ATOM 328 C ASP A 25 6.493 -6.888 -9.767 1.00 0.00 C ATOM 329 O ASP A 25 6.914 -6.006 -10.516 1.00 0.00 O ATOM 330 CB ASP A 25 8.218 -7.511 -8.057 1.00 0.00 C ATOM 331 CG ASP A 25 9.342 -6.762 -8.744 1.00 0.00 C ATOM 332 OD1 ASP A 25 9.616 -7.041 -9.931 1.00 0.00 O ATOM 333 OD2 ASP A 25 9.978 -5.910 -8.093 1.00 0.00 O ATOM 0 H ASP A 25 6.168 -8.490 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 25 6.855 -5.835 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.420 -7.554 -6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.201 -8.539 -8.420 1.00 0.00 H new ATOM 338 N ASP A 26 5.704 -7.869 -10.185 1.00 0.00 N ATOM 339 CA ASP A 26 5.363 -8.024 -11.598 1.00 0.00 C ATOM 340 C ASP A 26 4.575 -6.818 -12.107 1.00 0.00 C ATOM 341 O ASP A 26 4.796 -6.341 -13.223 1.00 0.00 O ATOM 342 CB ASP A 26 4.562 -9.312 -11.834 1.00 0.00 C ATOM 343 CG ASP A 26 3.146 -9.234 -11.296 1.00 0.00 C ATOM 344 OD1 ASP A 26 2.980 -9.162 -10.061 1.00 0.00 O ATOM 345 OD2 ASP A 26 2.194 -9.228 -12.108 1.00 0.00 O ATOM 0 H ASP A 26 5.288 -8.569 -9.570 1.00 0.00 H new ATOM 0 HA ASP A 26 6.297 -8.089 -12.155 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.528 -9.522 -12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.079 -10.147 -11.362 1.00 0.00 H new ATOM 350 N THR A 27 3.666 -6.325 -11.279 1.00 0.00 N ATOM 351 CA THR A 27 2.843 -5.182 -11.637 1.00 0.00 C ATOM 352 C THR A 27 3.332 -3.921 -10.928 1.00 0.00 C ATOM 353 O THR A 27 3.208 -2.811 -11.448 1.00 0.00 O ATOM 354 CB THR A 27 1.353 -5.446 -11.302 1.00 0.00 C ATOM 355 OG1 THR A 27 0.554 -4.283 -11.560 1.00 0.00 O ATOM 356 CG2 THR A 27 1.186 -5.888 -9.854 1.00 0.00 C ATOM 0 H THR A 27 3.480 -6.702 -10.350 1.00 0.00 H new ATOM 0 HA THR A 27 2.930 -5.030 -12.713 1.00 0.00 H new ATOM 0 HB THR A 27 1.009 -6.253 -11.949 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.382 -4.474 -11.343 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.131 -6.066 -9.647 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.748 -6.807 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.559 -5.108 -9.190 1.00 0.00 H new ATOM 364 N GLY A 28 3.921 -4.101 -9.752 1.00 0.00 N ATOM 365 CA GLY A 28 4.367 -2.972 -8.971 1.00 0.00 C ATOM 366 C GLY A 28 3.286 -2.484 -8.035 1.00 0.00 C ATOM 367 O GLY A 28 3.109 -1.282 -7.850 1.00 0.00 O ATOM 0 H GLY A 28 4.096 -5.012 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.249 -3.252 -8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.665 -2.163 -9.637 1.00 0.00 H new ATOM 371 N LEU A 29 2.548 -3.417 -7.452 1.00 0.00 N ATOM 372 CA LEU A 29 1.473 -3.072 -6.535 1.00 0.00 C ATOM 373 C LEU A 29 1.747 -3.664 -5.158 1.00 0.00 C ATOM 374 O LEU A 29 2.386 -4.711 -5.042 1.00 0.00 O ATOM 375 CB LEU A 29 0.125 -3.579 -7.056 1.00 0.00 C ATOM 376 CG LEU A 29 -0.269 -3.104 -8.459 1.00 0.00 C ATOM 377 CD1 LEU A 29 -1.660 -3.604 -8.818 1.00 0.00 C ATOM 378 CD2 LEU A 29 -0.207 -1.589 -8.562 1.00 0.00 C ATOM 0 H LEU A 29 2.674 -4.419 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 29 1.429 -1.986 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.142 -4.669 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.653 -3.271 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 29 0.446 -3.520 -9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.924 -3.258 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.672 -4.694 -8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.382 -3.219 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.491 -1.281 -9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.893 -1.147 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.808 -1.251 -8.352 1.00 0.00 H new ATOM 390 N VAL A 30 1.272 -2.990 -4.122 1.00 0.00 N ATOM 391 CA VAL A 30 1.467 -3.449 -2.756 1.00 0.00 C ATOM 392 C VAL A 30 0.144 -3.876 -2.134 1.00 0.00 C ATOM 393 O VAL A 30 -0.752 -3.052 -1.937 1.00 0.00 O ATOM 394 CB VAL A 30 2.112 -2.360 -1.872 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.274 -2.847 -0.444 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.456 -1.936 -2.439 1.00 0.00 C ATOM 0 H VAL A 30 0.746 -2.119 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 30 2.142 -4.304 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 30 1.448 -1.495 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.731 -2.062 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.297 -3.098 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.911 -3.731 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.894 -1.168 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.122 -2.798 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.318 -1.538 -3.444 1.00 0.00 H new ATOM 406 N SER A 31 0.028 -5.161 -1.838 1.00 0.00 N ATOM 407 CA SER A 31 -1.154 -5.696 -1.187 1.00 0.00 C ATOM 408 C SER A 31 -1.036 -5.542 0.326 1.00 0.00 C ATOM 409 O SER A 31 -0.342 -6.312 0.982 1.00 0.00 O ATOM 410 CB SER A 31 -1.331 -7.173 -1.547 1.00 0.00 C ATOM 411 OG SER A 31 -1.329 -7.366 -2.956 1.00 0.00 O ATOM 0 H SER A 31 0.746 -5.857 -2.041 1.00 0.00 H new ATOM 0 HA SER A 31 -2.025 -5.140 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.529 -7.758 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.268 -7.542 -1.129 1.00 0.00 H new ATOM 0 HG SER A 31 -1.442 -8.319 -3.156 1.00 0.00 H new ATOM 417 N TYR A 32 -1.701 -4.540 0.879 1.00 0.00 N ATOM 418 CA TYR A 32 -1.625 -4.293 2.313 1.00 0.00 C ATOM 419 C TYR A 32 -2.926 -4.695 2.983 1.00 0.00 C ATOM 420 O TYR A 32 -3.954 -4.853 2.320 1.00 0.00 O ATOM 421 CB TYR A 32 -1.307 -2.822 2.605 1.00 0.00 C ATOM 422 CG TYR A 32 -2.456 -1.871 2.354 1.00 0.00 C ATOM 423 CD1 TYR A 32 -2.760 -1.440 1.072 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.228 -1.394 3.407 1.00 0.00 C ATOM 425 CE1 TYR A 32 -3.798 -0.561 0.846 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.271 -0.518 3.187 1.00 0.00 C ATOM 427 CZ TYR A 32 -4.551 -0.102 1.905 1.00 0.00 C ATOM 428 OH TYR A 32 -5.581 0.780 1.679 1.00 0.00 O ATOM 0 H TYR A 32 -2.294 -3.889 0.364 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.815 -4.899 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.996 -2.730 3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.459 -2.518 1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.175 -1.798 0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.008 -1.715 4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.020 -0.233 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.864 -0.161 4.016 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.253 0.358 1.105 1.00 0.00 H new ATOM 438 N HIS A 33 -2.880 -4.873 4.294 1.00 0.00 N ATOM 439 CA HIS A 33 -4.071 -5.221 5.044 1.00 0.00 C ATOM 440 C HIS A 33 -4.606 -3.999 5.779 1.00 0.00 C ATOM 441 O HIS A 33 -3.935 -3.438 6.647 1.00 0.00 O ATOM 442 CB HIS A 33 -3.789 -6.367 6.022 1.00 0.00 C ATOM 443 CG HIS A 33 -3.423 -7.651 5.335 1.00 0.00 C ATOM 444 ND1 HIS A 33 -2.877 -8.736 5.987 1.00 0.00 N ATOM 445 CD2 HIS A 33 -3.527 -8.012 4.035 1.00 0.00 C ATOM 446 CE1 HIS A 33 -2.659 -9.704 5.114 1.00 0.00 C ATOM 447 NE2 HIS A 33 -3.045 -9.291 3.923 1.00 0.00 N ATOM 0 H HIS A 33 -2.034 -4.782 4.856 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.832 -5.564 4.342 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.979 -6.075 6.690 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.670 -6.532 6.643 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.918 -7.404 3.233 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.235 -10.672 5.339 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.994 -9.833 3.061 1.00 0.00 H new ATOM 456 N ASP A 34 -5.801 -3.578 5.395 1.00 0.00 N ATOM 457 CA ASP A 34 -6.454 -2.415 5.993 1.00 0.00 C ATOM 458 C ASP A 34 -6.840 -2.619 7.442 1.00 0.00 C ATOM 459 O ASP A 34 -6.719 -3.712 7.995 1.00 0.00 O ATOM 460 CB ASP A 34 -7.710 -2.034 5.216 1.00 0.00 C ATOM 461 CG ASP A 34 -7.611 -0.663 4.599 1.00 0.00 C ATOM 462 OD1 ASP A 34 -7.244 0.281 5.328 1.00 0.00 O ATOM 463 OD2 ASP A 34 -7.951 -0.514 3.407 1.00 0.00 O ATOM 0 H ASP A 34 -6.348 -4.029 4.662 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.713 -1.617 5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.886 -2.770 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.571 -2.067 5.884 1.00 0.00 H new ATOM 468 N GLN A 35 -7.348 -1.541 8.024 1.00 0.00 N ATOM 469 CA GLN A 35 -7.858 -1.532 9.387 1.00 0.00 C ATOM 470 C GLN A 35 -8.969 -2.561 9.549 1.00 0.00 C ATOM 471 O GLN A 35 -9.177 -3.108 10.631 1.00 0.00 O ATOM 472 CB GLN A 35 -8.409 -0.142 9.709 1.00 0.00 C ATOM 473 CG GLN A 35 -7.432 0.984 9.416 1.00 0.00 C ATOM 474 CD GLN A 35 -8.094 2.160 8.722 1.00 0.00 C ATOM 475 OE1 GLN A 35 -8.610 3.069 9.371 1.00 0.00 O ATOM 476 NE2 GLN A 35 -8.063 2.162 7.396 1.00 0.00 N ATOM 0 H GLN A 35 -7.418 -0.637 7.556 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.045 -1.782 10.069 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.320 0.020 9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.687 -0.106 10.762 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.982 1.323 10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.623 0.606 8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.625 1.389 6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.477 2.937 6.877 1.00 0.00 H new ATOM 485 N GLN A 36 -9.677 -2.819 8.457 1.00 0.00 N ATOM 486 CA GLN A 36 -10.799 -3.745 8.471 1.00 0.00 C ATOM 487 C GLN A 36 -10.331 -5.159 8.145 1.00 0.00 C ATOM 488 O GLN A 36 -11.117 -6.103 8.158 1.00 0.00 O ATOM 489 CB GLN A 36 -11.866 -3.307 7.461 1.00 0.00 C ATOM 490 CG GLN A 36 -12.155 -1.812 7.471 1.00 0.00 C ATOM 491 CD GLN A 36 -12.501 -1.279 8.847 1.00 0.00 C ATOM 492 OE1 GLN A 36 -13.076 -1.983 9.677 1.00 0.00 O ATOM 493 NE2 GLN A 36 -12.148 -0.031 9.094 1.00 0.00 N ATOM 0 H GLN A 36 -9.492 -2.397 7.547 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.232 -3.739 9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.545 -3.597 6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.790 -3.846 7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.285 -1.278 7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.980 -1.604 6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.673 0.516 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.350 0.386 10.003 1.00 0.00 H new ATOM 502 N GLY A 37 -9.040 -5.299 7.861 1.00 0.00 N ATOM 503 CA GLY A 37 -8.502 -6.586 7.465 1.00 0.00 C ATOM 504 C GLY A 37 -8.621 -6.817 5.971 1.00 0.00 C ATOM 505 O GLY A 37 -8.514 -7.947 5.497 1.00 0.00 O ATOM 0 H GLY A 37 -8.357 -4.543 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.454 -6.647 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.029 -7.378 7.997 1.00 0.00 H new ATOM 509 N ASN A 38 -8.839 -5.740 5.228 1.00 0.00 N ATOM 510 CA ASN A 38 -9.012 -5.823 3.783 1.00 0.00 C ATOM 511 C ASN A 38 -7.670 -5.911 3.078 1.00 0.00 C ATOM 512 O ASN A 38 -6.753 -5.149 3.379 1.00 0.00 O ATOM 513 CB ASN A 38 -9.785 -4.610 3.255 1.00 0.00 C ATOM 514 CG ASN A 38 -11.223 -4.579 3.730 1.00 0.00 C ATOM 515 OD1 ASN A 38 -11.833 -5.619 3.976 1.00 0.00 O ATOM 516 ND2 ASN A 38 -11.779 -3.383 3.856 1.00 0.00 N ATOM 0 H ASN A 38 -8.901 -4.794 5.604 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.582 -6.728 3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.282 -3.697 3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.767 -4.620 2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.747 -3.301 4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.239 -2.544 3.642 1.00 0.00 H new ATOM 523 N ALA A 39 -7.558 -6.846 2.150 1.00 0.00 N ATOM 524 CA ALA A 39 -6.345 -7.003 1.367 1.00 0.00 C ATOM 525 C ALA A 39 -6.508 -6.356 0.000 1.00 0.00 C ATOM 526 O ALA A 39 -7.188 -6.895 -0.875 1.00 0.00 O ATOM 527 CB ALA A 39 -5.997 -8.476 1.221 1.00 0.00 C ATOM 0 H ALA A 39 -8.297 -7.511 1.920 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.528 -6.505 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.086 -8.578 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.842 -8.913 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.814 -8.995 0.719 1.00 0.00 H new ATOM 533 N MET A 40 -5.897 -5.195 -0.178 1.00 0.00 N ATOM 534 CA MET A 40 -5.997 -4.472 -1.438 1.00 0.00 C ATOM 535 C MET A 40 -4.619 -4.032 -1.904 1.00 0.00 C ATOM 536 O MET A 40 -3.670 -4.004 -1.119 1.00 0.00 O ATOM 537 CB MET A 40 -6.911 -3.250 -1.306 1.00 0.00 C ATOM 538 CG MET A 40 -6.305 -2.126 -0.483 1.00 0.00 C ATOM 539 SD MET A 40 -7.323 -0.637 -0.460 1.00 0.00 S ATOM 540 CE MET A 40 -8.730 -1.211 0.484 1.00 0.00 C ATOM 0 H MET A 40 -5.328 -4.733 0.532 1.00 0.00 H new ATOM 0 HA MET A 40 -6.430 -5.148 -2.176 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.148 -2.874 -2.301 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.852 -3.557 -0.849 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.156 -2.472 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.321 -1.880 -0.883 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.239 -0.358 0.933 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.419 -1.739 -0.175 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.390 -1.886 1.270 1.00 0.00 H new ATOM 550 N GLN A 41 -4.520 -3.661 -3.172 1.00 0.00 N ATOM 551 CA GLN A 41 -3.239 -3.316 -3.771 1.00 0.00 C ATOM 552 C GLN A 41 -3.171 -1.833 -4.104 1.00 0.00 C ATOM 553 O GLN A 41 -4.034 -1.313 -4.812 1.00 0.00 O ATOM 554 CB GLN A 41 -3.029 -4.119 -5.055 1.00 0.00 C ATOM 555 CG GLN A 41 -3.134 -5.623 -4.870 1.00 0.00 C ATOM 556 CD GLN A 41 -3.074 -6.377 -6.184 1.00 0.00 C ATOM 557 OE1 GLN A 41 -2.002 -6.762 -6.649 1.00 0.00 O ATOM 558 NE2 GLN A 41 -4.232 -6.593 -6.791 1.00 0.00 N ATOM 0 H GLN A 41 -5.314 -3.591 -3.808 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.459 -3.553 -3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.766 -3.802 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.046 -3.882 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.326 -5.963 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.069 -5.859 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.099 -6.257 -6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.257 -7.096 -7.678 1.00 0.00 H new ATOM 567 N ILE A 42 -2.158 -1.150 -3.590 1.00 0.00 N ATOM 568 CA ILE A 42 -1.884 0.214 -4.020 1.00 0.00 C ATOM 569 C ILE A 42 -0.681 0.212 -4.950 1.00 0.00 C ATOM 570 O ILE A 42 -0.054 -0.825 -5.154 1.00 0.00 O ATOM 571 CB ILE A 42 -1.609 1.194 -2.854 1.00 0.00 C ATOM 572 CG1 ILE A 42 -0.219 0.971 -2.250 1.00 0.00 C ATOM 573 CG2 ILE A 42 -2.673 1.063 -1.781 1.00 0.00 C ATOM 574 CD1 ILE A 42 0.321 2.199 -1.553 1.00 0.00 C ATOM 0 H ILE A 42 -1.519 -1.512 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.784 0.566 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.642 2.205 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.265 0.146 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.472 0.674 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.461 1.761 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.650 1.289 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.674 0.045 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.308 1.981 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.396 3.019 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.352 2.483 -0.744 1.00 0.00 H new ATOM 586 N ASN A 43 -0.348 1.368 -5.491 1.00 0.00 N ATOM 587 CA ASN A 43 0.765 1.479 -6.421 1.00 0.00 C ATOM 588 C ASN A 43 2.083 1.616 -5.665 1.00 0.00 C ATOM 589 O ASN A 43 2.169 2.377 -4.702 1.00 0.00 O ATOM 590 CB ASN A 43 0.556 2.686 -7.331 1.00 0.00 C ATOM 591 CG ASN A 43 1.494 2.689 -8.520 1.00 0.00 C ATOM 592 OD1 ASN A 43 1.945 1.640 -8.973 1.00 0.00 O ATOM 593 ND2 ASN A 43 1.785 3.865 -9.039 1.00 0.00 N ATOM 0 H ASN A 43 -0.832 2.246 -5.304 1.00 0.00 H new ATOM 0 HA ASN A 43 0.808 0.574 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.475 2.694 -7.686 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.702 3.600 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.405 3.927 -9.846 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.390 4.713 -8.633 1.00 0.00 H new ATOM 600 N ARG A 44 3.105 0.883 -6.105 1.00 0.00 N ATOM 601 CA ARG A 44 4.421 0.928 -5.465 1.00 0.00 C ATOM 602 C ARG A 44 4.999 2.338 -5.543 1.00 0.00 C ATOM 603 O ARG A 44 5.706 2.785 -4.641 1.00 0.00 O ATOM 604 CB ARG A 44 5.388 -0.055 -6.132 1.00 0.00 C ATOM 605 CG ARG A 44 6.739 -0.136 -5.438 1.00 0.00 C ATOM 606 CD ARG A 44 7.807 -0.739 -6.340 1.00 0.00 C ATOM 607 NE ARG A 44 7.972 0.022 -7.581 1.00 0.00 N ATOM 608 CZ ARG A 44 8.506 1.246 -7.648 1.00 0.00 C ATOM 609 NH1 ARG A 44 8.980 1.830 -6.555 1.00 0.00 N ATOM 610 NH2 ARG A 44 8.580 1.878 -8.814 1.00 0.00 N ATOM 0 H ARG A 44 3.048 0.250 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 44 4.295 0.643 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.935 -1.046 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.538 0.242 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.048 0.862 -5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.647 -0.737 -4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.757 -0.771 -5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.541 -1.769 -6.579 1.00 0.00 H new ATOM 0 HE ARG A 44 7.659 -0.410 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.938 1.345 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.386 2.764 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.229 1.430 -9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.988 2.812 -8.863 1.00 0.00 H new ATOM 624 N ASP A 45 4.680 3.032 -6.629 1.00 0.00 N ATOM 625 CA ASP A 45 5.152 4.397 -6.844 1.00 0.00 C ATOM 626 C ASP A 45 4.611 5.336 -5.771 1.00 0.00 C ATOM 627 O ASP A 45 5.243 6.339 -5.431 1.00 0.00 O ATOM 628 CB ASP A 45 4.727 4.883 -8.231 1.00 0.00 C ATOM 629 CG ASP A 45 5.398 6.180 -8.636 1.00 0.00 C ATOM 630 OD1 ASP A 45 6.507 6.121 -9.204 1.00 0.00 O ATOM 631 OD2 ASP A 45 4.817 7.260 -8.404 1.00 0.00 O ATOM 0 H ASP A 45 4.092 2.670 -7.380 1.00 0.00 H new ATOM 0 HA ASP A 45 6.240 4.399 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.962 4.114 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.646 5.020 -8.246 1.00 0.00 H new ATOM 636 N ASP A 46 3.455 4.989 -5.216 1.00 0.00 N ATOM 637 CA ASP A 46 2.814 5.813 -4.197 1.00 0.00 C ATOM 638 C ASP A 46 3.388 5.512 -2.816 1.00 0.00 C ATOM 639 O ASP A 46 3.296 6.333 -1.905 1.00 0.00 O ATOM 640 CB ASP A 46 1.302 5.576 -4.199 1.00 0.00 C ATOM 641 CG ASP A 46 0.565 6.492 -3.235 1.00 0.00 C ATOM 642 OD1 ASP A 46 0.783 7.722 -3.297 1.00 0.00 O ATOM 643 OD2 ASP A 46 -0.254 5.990 -2.436 1.00 0.00 O ATOM 0 H ASP A 46 2.941 4.141 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 46 3.011 6.859 -4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.915 5.729 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.100 4.538 -3.934 1.00 0.00 H new ATOM 648 N VAL A 47 3.991 4.337 -2.674 1.00 0.00 N ATOM 649 CA VAL A 47 4.588 3.925 -1.408 1.00 0.00 C ATOM 650 C VAL A 47 5.831 4.759 -1.117 1.00 0.00 C ATOM 651 O VAL A 47 6.839 4.656 -1.821 1.00 0.00 O ATOM 652 CB VAL A 47 4.978 2.429 -1.425 1.00 0.00 C ATOM 653 CG1 VAL A 47 5.361 1.952 -0.032 1.00 0.00 C ATOM 654 CG2 VAL A 47 3.854 1.577 -1.982 1.00 0.00 C ATOM 0 H VAL A 47 4.080 3.650 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 47 3.842 4.082 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 47 5.844 2.321 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.631 0.897 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.210 2.531 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.516 2.086 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.157 0.530 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.965 1.698 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.631 1.890 -3.002 1.00 0.00 H new ATOM 664 N SER A 48 5.754 5.596 -0.096 1.00 0.00 N ATOM 665 CA SER A 48 6.866 6.455 0.258 1.00 0.00 C ATOM 666 C SER A 48 7.646 5.861 1.426 1.00 0.00 C ATOM 667 O SER A 48 8.815 5.500 1.277 1.00 0.00 O ATOM 668 CB SER A 48 6.366 7.865 0.591 1.00 0.00 C ATOM 669 OG SER A 48 7.438 8.736 0.915 1.00 0.00 O ATOM 0 H SER A 48 4.933 5.697 0.501 1.00 0.00 H new ATOM 0 HA SER A 48 7.539 6.527 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.814 8.266 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.670 7.817 1.428 1.00 0.00 H new ATOM 0 HG SER A 48 7.085 9.627 1.120 1.00 0.00 H new ATOM 675 N GLN A 49 7.001 5.756 2.584 1.00 0.00 N ATOM 676 CA GLN A 49 7.632 5.180 3.766 1.00 0.00 C ATOM 677 C GLN A 49 6.611 4.370 4.550 1.00 0.00 C ATOM 678 O GLN A 49 5.446 4.292 4.168 1.00 0.00 O ATOM 679 CB GLN A 49 8.223 6.269 4.674 1.00 0.00 C ATOM 680 CG GLN A 49 9.223 7.189 3.985 1.00 0.00 C ATOM 681 CD GLN A 49 9.990 8.061 4.958 1.00 0.00 C ATOM 682 OE1 GLN A 49 10.273 7.657 6.086 1.00 0.00 O ATOM 683 NE2 GLN A 49 10.324 9.267 4.533 1.00 0.00 N ATOM 0 H GLN A 49 6.039 6.063 2.729 1.00 0.00 H new ATOM 0 HA GLN A 49 8.444 4.535 3.432 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.408 6.873 5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.712 5.791 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.928 6.587 3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.695 7.824 3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.071 9.564 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.835 9.901 5.147 1.00 0.00 H new ATOM 692 N ILE A 50 7.046 3.770 5.648 1.00 0.00 N ATOM 693 CA ILE A 50 6.142 3.022 6.509 1.00 0.00 C ATOM 694 C ILE A 50 5.996 3.735 7.851 1.00 0.00 C ATOM 695 O ILE A 50 5.011 4.430 8.097 1.00 0.00 O ATOM 696 CB ILE A 50 6.638 1.573 6.748 1.00 0.00 C ATOM 697 CG1 ILE A 50 6.908 0.859 5.416 1.00 0.00 C ATOM 698 CG2 ILE A 50 5.625 0.790 7.574 1.00 0.00 C ATOM 699 CD1 ILE A 50 5.684 0.706 4.534 1.00 0.00 C ATOM 0 H ILE A 50 8.016 3.786 5.963 1.00 0.00 H new ATOM 0 HA ILE A 50 5.177 2.969 6.005 1.00 0.00 H new ATOM 0 HB ILE A 50 7.575 1.624 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.670 1.413 4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.319 -0.129 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.990 -0.225 7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.486 1.279 8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.673 0.755 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.961 0.192 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.927 0.125 5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.284 1.691 4.293 1.00 0.00 H new ATOM 711 N ILE A 51 7.007 3.586 8.693 1.00 0.00 N ATOM 712 CA ILE A 51 7.012 4.195 10.011 1.00 0.00 C ATOM 713 C ILE A 51 8.137 5.228 10.088 1.00 0.00 C ATOM 714 O ILE A 51 9.103 5.150 9.324 1.00 0.00 O ATOM 715 CB ILE A 51 7.186 3.119 11.113 1.00 0.00 C ATOM 716 CG1 ILE A 51 7.037 3.731 12.508 1.00 0.00 C ATOM 717 CG2 ILE A 51 8.532 2.417 10.976 1.00 0.00 C ATOM 718 CD1 ILE A 51 7.087 2.715 13.628 1.00 0.00 C ATOM 0 H ILE A 51 7.843 3.041 8.482 1.00 0.00 H new ATOM 0 HA ILE A 51 6.056 4.691 10.177 1.00 0.00 H new ATOM 0 HB ILE A 51 6.398 2.377 10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.829 4.464 12.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.090 4.269 12.560 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.632 1.666 11.760 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.593 1.934 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.335 3.148 11.069 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.975 3.223 14.586 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.278 1.995 13.502 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.044 2.194 13.604 1.00 0.00 H new ATOM 730 N GLU A 52 8.000 6.200 10.981 1.00 0.00 N ATOM 731 CA GLU A 52 9.009 7.238 11.138 1.00 0.00 C ATOM 732 C GLU A 52 10.308 6.665 11.703 1.00 0.00 C ATOM 733 O GLU A 52 10.316 5.614 12.344 1.00 0.00 O ATOM 734 CB GLU A 52 8.499 8.371 12.041 1.00 0.00 C ATOM 735 CG GLU A 52 7.972 7.910 13.394 1.00 0.00 C ATOM 736 CD GLU A 52 6.472 7.689 13.393 1.00 0.00 C ATOM 737 OE1 GLU A 52 5.995 6.802 12.659 1.00 0.00 O ATOM 738 OE2 GLU A 52 5.760 8.406 14.130 1.00 0.00 O ATOM 0 H GLU A 52 7.200 6.291 11.607 1.00 0.00 H new ATOM 0 HA GLU A 52 9.213 7.646 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.309 9.082 12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.706 8.906 11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.471 6.984 13.677 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.225 8.653 14.150 1.00 0.00 H new ATOM 745 N ARG A 53 11.403 7.367 11.449 1.00 0.00 N ATOM 746 CA ARG A 53 12.712 6.949 11.927 1.00 0.00 C ATOM 747 C ARG A 53 12.878 7.281 13.410 1.00 0.00 C ATOM 748 O ARG A 53 11.936 7.729 14.068 1.00 0.00 O ATOM 749 CB ARG A 53 13.810 7.629 11.105 1.00 0.00 C ATOM 750 CG ARG A 53 13.834 7.212 9.642 1.00 0.00 C ATOM 751 CD ARG A 53 14.273 5.763 9.468 1.00 0.00 C ATOM 752 NE ARG A 53 14.268 5.365 8.061 1.00 0.00 N ATOM 753 CZ ARG A 53 14.987 4.364 7.554 1.00 0.00 C ATOM 754 NH1 ARG A 53 15.815 3.665 8.324 1.00 0.00 N ATOM 755 NH2 ARG A 53 14.883 4.071 6.263 1.00 0.00 N ATOM 0 H ARG A 53 11.410 8.234 10.911 1.00 0.00 H new ATOM 0 HA ARG A 53 12.796 5.869 11.808 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.677 8.709 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.778 7.403 11.553 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.842 7.344 9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.511 7.864 9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.274 5.633 9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.608 5.110 10.034 1.00 0.00 H new ATOM 0 HE ARG A 53 13.672 5.891 7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.905 3.893 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.360 2.901 7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.256 4.611 5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.430 3.306 5.868 1.00 0.00 H new TER 769 ARG A 53