USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Single : A 14 THR OG1 : rot -24:sc= 0.81 USER MOD Single : A 19 SER OG : rot 180:sc= -0.226 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -175:sc= 0 (180deg=-0.00669) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.212 (180deg=-0.92) USER MOD Single : A 31 THR OG1 : rot 176:sc= -2.7! USER MOD Single : A 40 THR OG1 : rot -44:sc= 0.398 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= -3.09! C(o=-3.1!,f=-4.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -8.42! C(o=-8.4!,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot 68:sc= 0.75 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -19.830 3.697 9.286 1.00 0.00 N ATOM 2 CA THR A 14 -19.658 4.787 8.284 1.00 0.00 C ATOM 3 C THR A 14 -18.398 4.524 7.457 1.00 0.00 C ATOM 4 O THR A 14 -17.686 5.436 7.085 1.00 0.00 O ATOM 5 CB THR A 14 -19.521 6.129 9.008 1.00 0.00 C ATOM 6 OG1 THR A 14 -19.521 5.911 10.412 1.00 0.00 O ATOM 7 CG2 THR A 14 -20.692 7.036 8.630 1.00 0.00 C ATOM 0 HA THR A 14 -20.526 4.816 7.626 1.00 0.00 H new ATOM 0 HB THR A 14 -18.586 6.606 8.715 1.00 0.00 H new ATOM 0 HG1 THR A 14 -19.976 5.067 10.612 1.00 0.00 H new ATOM 0 HG21 THR A 14 -20.594 7.991 9.146 1.00 0.00 H new ATOM 0 HG22 THR A 14 -20.690 7.203 7.553 1.00 0.00 H new ATOM 0 HG23 THR A 14 -21.629 6.561 8.921 1.00 0.00 H new ATOM 17 N LEU A 15 -18.117 3.284 7.162 1.00 0.00 N ATOM 18 CA LEU A 15 -16.904 2.968 6.358 1.00 0.00 C ATOM 19 C LEU A 15 -15.661 3.523 7.067 1.00 0.00 C ATOM 20 O LEU A 15 -15.429 4.716 7.055 1.00 0.00 O ATOM 21 CB LEU A 15 -17.030 3.616 4.978 1.00 0.00 C ATOM 22 CG LEU A 15 -17.932 2.756 4.091 1.00 0.00 C ATOM 23 CD1 LEU A 15 -18.101 3.428 2.727 1.00 0.00 C ATOM 24 CD2 LEU A 15 -17.298 1.376 3.903 1.00 0.00 C ATOM 0 H LEU A 15 -18.675 2.477 7.443 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.810 1.887 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.445 4.620 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.045 3.720 4.522 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.907 2.647 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.744 2.814 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.554 4.411 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.126 3.539 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -17.941 0.763 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.322 1.485 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.179 0.895 4.874 1.00 0.00 H new ATOM 36 N PRO A 16 -14.897 2.642 7.665 1.00 0.00 N ATOM 37 CA PRO A 16 -13.670 3.021 8.387 1.00 0.00 C ATOM 38 C PRO A 16 -12.532 3.298 7.402 1.00 0.00 C ATOM 39 O PRO A 16 -12.524 2.810 6.290 1.00 0.00 O ATOM 40 CB PRO A 16 -13.361 1.793 9.244 1.00 0.00 C ATOM 41 CG PRO A 16 -14.071 0.597 8.566 1.00 0.00 C ATOM 42 CD PRO A 16 -15.181 1.192 7.677 1.00 0.00 C ATOM 0 HA PRO A 16 -13.787 3.929 8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.286 1.623 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.720 1.931 10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.367 0.015 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.491 -0.078 9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.154 0.772 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.171 0.983 8.083 1.00 0.00 H new ATOM 50 N ARG A 17 -11.573 4.082 7.807 1.00 0.00 N ATOM 51 CA ARG A 17 -10.435 4.398 6.901 1.00 0.00 C ATOM 52 C ARG A 17 -10.882 5.426 5.864 1.00 0.00 C ATOM 53 O ARG A 17 -11.023 5.126 4.695 1.00 0.00 O ATOM 54 CB ARG A 17 -9.973 3.123 6.192 1.00 0.00 C ATOM 55 CG ARG A 17 -8.549 3.322 5.672 1.00 0.00 C ATOM 56 CD ARG A 17 -7.550 2.671 6.632 1.00 0.00 C ATOM 57 NE ARG A 17 -8.005 2.854 8.042 1.00 0.00 N ATOM 58 CZ ARG A 17 -7.244 2.465 9.028 1.00 0.00 C ATOM 59 NH1 ARG A 17 -5.959 2.323 8.845 1.00 0.00 N ATOM 60 NH2 ARG A 17 -7.766 2.218 10.198 1.00 0.00 N ATOM 0 H ARG A 17 -11.528 4.518 8.728 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.609 4.805 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.007 2.278 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.645 2.889 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.451 2.884 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.333 4.386 5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.455 1.609 6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.563 3.114 6.499 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.910 3.283 8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.550 2.516 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.365 2.019 9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.770 2.329 10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.170 1.914 10.968 1.00 0.00 H new ATOM 74 N GLY A 18 -11.109 6.639 6.284 1.00 0.00 N ATOM 75 CA GLY A 18 -11.550 7.693 5.326 1.00 0.00 C ATOM 76 C GLY A 18 -10.531 8.835 5.312 1.00 0.00 C ATOM 77 O GLY A 18 -10.870 9.978 5.078 1.00 0.00 O ATOM 0 H GLY A 18 -11.008 6.947 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.651 7.270 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.531 8.071 5.613 1.00 0.00 H new ATOM 81 N SER A 19 -9.287 8.535 5.560 1.00 0.00 N ATOM 82 CA SER A 19 -8.248 9.603 5.559 1.00 0.00 C ATOM 83 C SER A 19 -6.861 8.963 5.514 1.00 0.00 C ATOM 84 O SER A 19 -5.957 9.456 4.868 1.00 0.00 O ATOM 85 CB SER A 19 -8.380 10.446 6.829 1.00 0.00 C ATOM 86 OG SER A 19 -7.631 11.644 6.676 1.00 0.00 O ATOM 0 H SER A 19 -8.944 7.596 5.763 1.00 0.00 H new ATOM 0 HA SER A 19 -8.383 10.240 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.428 10.680 7.017 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.019 9.885 7.691 1.00 0.00 H new ATOM 0 HG SER A 19 -7.714 12.188 7.487 1.00 0.00 H new ATOM 92 N ILE A 20 -6.686 7.865 6.194 1.00 0.00 N ATOM 93 CA ILE A 20 -5.360 7.188 6.192 1.00 0.00 C ATOM 94 C ILE A 20 -5.017 6.749 4.773 1.00 0.00 C ATOM 95 O ILE A 20 -4.019 7.149 4.207 1.00 0.00 O ATOM 96 CB ILE A 20 -5.415 5.957 7.100 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.135 6.311 8.405 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.994 5.491 7.413 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.642 7.666 8.912 1.00 0.00 C ATOM 0 H ILE A 20 -7.406 7.406 6.752 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.600 7.879 6.556 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.957 5.159 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.212 6.343 8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.950 5.542 9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.033 4.614 8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.482 5.235 6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.452 6.291 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.156 7.916 9.840 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.568 7.618 9.093 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.850 8.432 8.165 1.00 0.00 H new ATOM 111 N ASP A 21 -5.841 5.925 4.199 1.00 0.00 N ATOM 112 CA ASP A 21 -5.579 5.448 2.813 1.00 0.00 C ATOM 113 C ASP A 21 -5.762 6.606 1.829 1.00 0.00 C ATOM 114 O ASP A 21 -5.483 6.483 0.654 1.00 0.00 O ATOM 115 CB ASP A 21 -6.558 4.325 2.468 1.00 0.00 C ATOM 116 CG ASP A 21 -6.103 3.026 3.137 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.909 3.040 4.342 1.00 0.00 O ATOM 118 OD2 ASP A 21 -5.958 2.040 2.434 1.00 0.00 O ATOM 0 H ASP A 21 -6.690 5.558 4.630 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.557 5.074 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.561 4.587 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.608 4.191 1.387 1.00 0.00 H new ATOM 123 N LYS A 22 -6.227 7.731 2.302 1.00 0.00 N ATOM 124 CA LYS A 22 -6.425 8.896 1.395 1.00 0.00 C ATOM 125 C LYS A 22 -5.148 9.739 1.359 1.00 0.00 C ATOM 126 O LYS A 22 -5.061 10.719 0.647 1.00 0.00 O ATOM 127 CB LYS A 22 -7.586 9.751 1.910 1.00 0.00 C ATOM 128 CG LYS A 22 -8.140 10.606 0.768 1.00 0.00 C ATOM 129 CD LYS A 22 -8.172 12.076 1.196 1.00 0.00 C ATOM 130 CE LYS A 22 -9.443 12.348 2.004 1.00 0.00 C ATOM 131 NZ LYS A 22 -10.295 13.330 1.274 1.00 0.00 N ATOM 0 H LYS A 22 -6.478 7.893 3.277 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.653 8.539 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.371 9.111 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.246 10.390 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.520 10.489 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.143 10.272 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.292 12.310 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.142 12.722 0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.992 11.420 2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.184 12.736 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.159 13.515 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.769 14.218 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.552 12.943 0.344 1.00 0.00 H new ATOM 145 N TYR A 23 -4.155 9.369 2.124 1.00 0.00 N ATOM 146 CA TYR A 23 -2.891 10.155 2.130 1.00 0.00 C ATOM 147 C TYR A 23 -1.696 9.211 2.279 1.00 0.00 C ATOM 148 O TYR A 23 -0.770 9.480 3.018 1.00 0.00 O ATOM 149 CB TYR A 23 -2.910 11.141 3.301 1.00 0.00 C ATOM 150 CG TYR A 23 -3.942 12.211 3.041 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.800 13.070 1.945 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.042 12.344 3.897 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.758 14.063 1.704 1.00 0.00 C ATOM 154 CE2 TYR A 23 -6.000 13.335 3.656 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.859 14.194 2.560 1.00 0.00 C ATOM 156 OH TYR A 23 -6.803 15.172 2.324 1.00 0.00 O ATOM 0 H TYR A 23 -4.166 8.558 2.743 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.803 10.703 1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.140 10.616 4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.926 11.593 3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.951 12.967 1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.151 11.682 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.648 14.727 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.849 13.437 4.316 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.501 15.125 3.010 1.00 0.00 H new ATOM 166 N VAL A 24 -1.707 8.107 1.583 1.00 0.00 N ATOM 167 CA VAL A 24 -0.569 7.151 1.686 1.00 0.00 C ATOM 168 C VAL A 24 0.084 6.988 0.311 1.00 0.00 C ATOM 169 O VAL A 24 -0.566 6.649 -0.657 1.00 0.00 O ATOM 170 CB VAL A 24 -1.085 5.793 2.168 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.072 4.795 2.214 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.684 5.945 3.568 1.00 0.00 C ATOM 0 H VAL A 24 -2.454 7.826 0.948 1.00 0.00 H new ATOM 0 HA VAL A 24 0.165 7.534 2.396 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.850 5.430 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.295 3.828 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.500 4.688 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.838 5.157 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.052 4.979 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.918 6.308 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.509 6.657 3.536 1.00 0.00 H new ATOM 182 N LYS A 25 1.364 7.230 0.216 1.00 0.00 N ATOM 183 CA LYS A 25 2.047 7.091 -1.102 1.00 0.00 C ATOM 184 C LYS A 25 3.073 5.956 -1.036 1.00 0.00 C ATOM 185 O LYS A 25 4.227 6.168 -0.722 1.00 0.00 O ATOM 186 CB LYS A 25 2.760 8.399 -1.449 1.00 0.00 C ATOM 187 CG LYS A 25 2.872 8.529 -2.970 1.00 0.00 C ATOM 188 CD LYS A 25 1.517 8.938 -3.549 1.00 0.00 C ATOM 189 CE LYS A 25 1.014 7.848 -4.496 1.00 0.00 C ATOM 190 NZ LYS A 25 0.862 8.411 -5.867 1.00 0.00 N ATOM 0 H LYS A 25 1.963 7.516 0.990 1.00 0.00 H new ATOM 0 HA LYS A 25 1.305 6.864 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.209 9.246 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.752 8.416 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.628 9.271 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.194 7.582 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.799 9.095 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.609 9.884 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.714 7.013 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.059 7.458 -4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.520 7.669 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.178 9.194 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.782 8.763 -6.202 1.00 0.00 H new ATOM 204 N GLU A 26 2.665 4.753 -1.337 1.00 0.00 N ATOM 205 CA GLU A 26 3.620 3.611 -1.299 1.00 0.00 C ATOM 206 C GLU A 26 4.404 3.568 -2.612 1.00 0.00 C ATOM 207 O GLU A 26 3.986 2.958 -3.577 1.00 0.00 O ATOM 208 CB GLU A 26 2.846 2.302 -1.121 1.00 0.00 C ATOM 209 CG GLU A 26 1.912 2.093 -2.315 1.00 0.00 C ATOM 210 CD GLU A 26 0.499 1.793 -1.812 1.00 0.00 C ATOM 211 OE1 GLU A 26 0.302 0.721 -1.266 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.361 2.641 -1.983 1.00 0.00 O ATOM 0 H GLU A 26 1.711 4.513 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 26 4.310 3.737 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.540 1.466 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.270 2.331 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.904 2.983 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.272 1.270 -2.932 1.00 0.00 H new ATOM 219 N MET A 27 5.533 4.220 -2.662 1.00 0.00 N ATOM 220 CA MET A 27 6.337 4.225 -3.917 1.00 0.00 C ATOM 221 C MET A 27 6.823 2.803 -4.228 1.00 0.00 C ATOM 222 O MET A 27 7.288 2.102 -3.347 1.00 0.00 O ATOM 223 CB MET A 27 7.545 5.148 -3.743 1.00 0.00 C ATOM 224 CG MET A 27 7.098 6.450 -3.074 1.00 0.00 C ATOM 225 SD MET A 27 7.968 7.846 -3.827 1.00 0.00 S ATOM 226 CE MET A 27 6.545 8.563 -4.685 1.00 0.00 C ATOM 0 H MET A 27 5.934 4.750 -1.888 1.00 0.00 H new ATOM 0 HA MET A 27 5.718 4.582 -4.740 1.00 0.00 H new ATOM 0 HB2 MET A 27 8.307 4.658 -3.137 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.997 5.361 -4.712 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.021 6.577 -3.184 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.306 6.412 -2.005 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.875 9.402 -5.298 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.085 7.807 -5.322 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.817 8.912 -3.953 1.00 0.00 H new ATOM 236 N PRO A 28 6.712 2.420 -5.477 1.00 0.00 N ATOM 237 CA PRO A 28 7.136 1.086 -5.933 1.00 0.00 C ATOM 238 C PRO A 28 8.660 1.003 -5.953 1.00 0.00 C ATOM 239 O PRO A 28 9.235 -0.055 -6.114 1.00 0.00 O ATOM 240 CB PRO A 28 6.541 0.973 -7.340 1.00 0.00 C ATOM 241 CG PRO A 28 6.289 2.419 -7.821 1.00 0.00 C ATOM 242 CD PRO A 28 6.180 3.285 -6.552 1.00 0.00 C ATOM 0 HA PRO A 28 6.801 0.276 -5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.225 0.454 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.613 0.401 -7.325 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.103 2.764 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.375 2.478 -8.412 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.758 4.204 -6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.148 3.576 -6.355 1.00 0.00 H new ATOM 250 N ASP A 29 9.317 2.113 -5.766 1.00 0.00 N ATOM 251 CA ASP A 29 10.800 2.104 -5.746 1.00 0.00 C ATOM 252 C ASP A 29 11.264 1.846 -4.312 1.00 0.00 C ATOM 253 O ASP A 29 12.405 2.076 -3.974 1.00 0.00 O ATOM 254 CB ASP A 29 11.330 3.458 -6.225 1.00 0.00 C ATOM 255 CG ASP A 29 11.023 4.526 -5.174 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.925 4.511 -4.645 1.00 0.00 O ATOM 257 OD2 ASP A 29 11.893 5.342 -4.916 1.00 0.00 O ATOM 0 H ASP A 29 8.887 3.027 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 29 11.178 1.324 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.405 3.400 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.869 3.725 -7.176 1.00 0.00 H new ATOM 262 N LYS A 30 10.370 1.382 -3.470 1.00 0.00 N ATOM 263 CA LYS A 30 10.719 1.107 -2.051 1.00 0.00 C ATOM 264 C LYS A 30 10.760 2.427 -1.288 1.00 0.00 C ATOM 265 O LYS A 30 11.699 2.719 -0.575 1.00 0.00 O ATOM 266 CB LYS A 30 12.076 0.413 -1.976 1.00 0.00 C ATOM 267 CG LYS A 30 12.087 -0.798 -2.910 1.00 0.00 C ATOM 268 CD LYS A 30 13.516 -1.334 -3.032 1.00 0.00 C ATOM 269 CE LYS A 30 13.516 -2.596 -3.896 1.00 0.00 C ATOM 270 NZ LYS A 30 12.550 -2.433 -5.018 1.00 0.00 N ATOM 0 H LYS A 30 9.401 1.181 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 30 9.970 0.452 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.867 1.108 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.278 0.097 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.427 -1.575 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.707 -0.517 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.163 -0.577 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.918 -1.557 -2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.516 -2.781 -4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.245 -3.462 -3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.727 -3.163 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.579 -2.531 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.668 -1.491 -5.443 1.00 0.00 H new ATOM 284 N THR A 31 9.741 3.229 -1.435 1.00 0.00 N ATOM 285 CA THR A 31 9.712 4.533 -0.725 1.00 0.00 C ATOM 286 C THR A 31 8.304 4.794 -0.189 1.00 0.00 C ATOM 287 O THR A 31 7.393 4.020 -0.404 1.00 0.00 O ATOM 288 CB THR A 31 10.101 5.648 -1.693 1.00 0.00 C ATOM 289 OG1 THR A 31 11.030 5.146 -2.643 1.00 0.00 O ATOM 290 CG2 THR A 31 10.734 6.804 -0.917 1.00 0.00 C ATOM 0 H THR A 31 8.927 3.034 -2.018 1.00 0.00 H new ATOM 0 HA THR A 31 10.417 4.508 0.106 1.00 0.00 H new ATOM 0 HB THR A 31 9.211 6.007 -2.210 1.00 0.00 H new ATOM 0 HG1 THR A 31 11.231 5.842 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.011 7.599 -1.610 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.019 7.189 -0.190 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.624 6.449 -0.397 1.00 0.00 H new ATOM 298 N PHE A 32 8.121 5.880 0.509 1.00 0.00 N ATOM 299 CA PHE A 32 6.774 6.197 1.061 1.00 0.00 C ATOM 300 C PHE A 32 6.613 7.711 1.186 1.00 0.00 C ATOM 301 O PHE A 32 7.569 8.431 1.400 1.00 0.00 O ATOM 302 CB PHE A 32 6.623 5.558 2.443 1.00 0.00 C ATOM 303 CG PHE A 32 5.708 4.362 2.350 1.00 0.00 C ATOM 304 CD1 PHE A 32 6.180 3.160 1.811 1.00 0.00 C ATOM 305 CD2 PHE A 32 4.388 4.458 2.803 1.00 0.00 C ATOM 306 CE1 PHE A 32 5.330 2.052 1.728 1.00 0.00 C ATOM 307 CE2 PHE A 32 3.539 3.349 2.720 1.00 0.00 C ATOM 308 CZ PHE A 32 4.009 2.147 2.182 1.00 0.00 C ATOM 0 H PHE A 32 8.848 6.563 0.722 1.00 0.00 H new ATOM 0 HA PHE A 32 6.010 5.803 0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.598 5.254 2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.219 6.284 3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.199 3.088 1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.025 5.387 3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.693 1.123 1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.520 3.421 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.353 1.292 2.117 1.00 0.00 H new ATOM 318 N GLU A 33 5.410 8.197 1.058 1.00 0.00 N ATOM 319 CA GLU A 33 5.186 9.665 1.171 1.00 0.00 C ATOM 320 C GLU A 33 3.783 9.927 1.721 1.00 0.00 C ATOM 321 O GLU A 33 2.788 9.636 1.086 1.00 0.00 O ATOM 322 CB GLU A 33 5.323 10.312 -0.208 1.00 0.00 C ATOM 323 CG GLU A 33 6.047 11.653 -0.073 1.00 0.00 C ATOM 324 CD GLU A 33 5.850 12.470 -1.351 1.00 0.00 C ATOM 325 OE1 GLU A 33 4.716 12.595 -1.782 1.00 0.00 O ATOM 326 OE2 GLU A 33 6.838 12.956 -1.878 1.00 0.00 O ATOM 0 H GLU A 33 4.573 7.642 0.880 1.00 0.00 H new ATOM 0 HA GLU A 33 5.927 10.093 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.877 9.653 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.338 10.461 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.661 12.202 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.110 11.488 0.106 1.00 0.00 H new ATOM 333 N CYS A 34 3.699 10.483 2.897 1.00 0.00 N ATOM 334 CA CYS A 34 2.369 10.781 3.498 1.00 0.00 C ATOM 335 C CYS A 34 1.771 11.998 2.786 1.00 0.00 C ATOM 336 O CYS A 34 2.230 13.110 2.950 1.00 0.00 O ATOM 337 CB CYS A 34 2.563 11.088 4.984 1.00 0.00 C ATOM 338 SG CYS A 34 0.968 11.115 5.840 1.00 0.00 S ATOM 0 H CYS A 34 4.500 10.746 3.472 1.00 0.00 H new ATOM 0 HA CYS A 34 1.696 9.931 3.388 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.212 10.337 5.435 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.061 12.051 5.100 1.00 0.00 H new ATOM 343 N LEU A 35 0.761 11.795 1.984 1.00 0.00 N ATOM 344 CA LEU A 35 0.151 12.942 1.250 1.00 0.00 C ATOM 345 C LEU A 35 -0.730 13.767 2.192 1.00 0.00 C ATOM 346 O LEU A 35 -1.387 14.699 1.774 1.00 0.00 O ATOM 347 CB LEU A 35 -0.703 12.414 0.095 1.00 0.00 C ATOM 348 CG LEU A 35 0.134 11.475 -0.773 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.415 10.051 -0.659 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.061 11.933 -2.232 1.00 0.00 C ATOM 0 H LEU A 35 0.332 10.887 1.805 1.00 0.00 H new ATOM 0 HA LEU A 35 0.949 13.575 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.574 11.886 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.076 13.245 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 35 1.170 11.493 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.181 9.381 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.367 9.725 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.451 10.032 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.657 11.265 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.976 11.913 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.449 12.948 -2.315 1.00 0.00 H new ATOM 362 N PHE A 36 -0.753 13.444 3.456 1.00 0.00 N ATOM 363 CA PHE A 36 -1.596 14.229 4.398 1.00 0.00 C ATOM 364 C PHE A 36 -1.152 15.695 4.365 1.00 0.00 C ATOM 365 O PHE A 36 0.027 15.977 4.296 1.00 0.00 O ATOM 366 CB PHE A 36 -1.425 13.676 5.814 1.00 0.00 C ATOM 367 CG PHE A 36 -2.369 14.387 6.753 1.00 0.00 C ATOM 368 CD1 PHE A 36 -2.102 15.702 7.156 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.511 13.730 7.225 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.976 16.355 8.033 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.385 14.385 8.100 1.00 0.00 C ATOM 372 CZ PHE A 36 -4.117 15.697 8.504 1.00 0.00 C ATOM 0 H PHE A 36 -0.228 12.676 3.874 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.643 14.156 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.625 12.605 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.396 13.811 6.146 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.223 16.211 6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.718 12.717 6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.769 17.368 8.346 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.266 13.877 8.463 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.791 16.202 9.180 1.00 0.00 H new ATOM 382 N PRO A 37 -2.109 16.585 4.417 1.00 0.00 N ATOM 383 CA PRO A 37 -1.836 18.030 4.394 1.00 0.00 C ATOM 384 C PRO A 37 -1.293 18.482 5.747 1.00 0.00 C ATOM 385 O PRO A 37 -1.982 18.464 6.747 1.00 0.00 O ATOM 386 CB PRO A 37 -3.202 18.655 4.097 1.00 0.00 C ATOM 387 CG PRO A 37 -4.259 17.604 4.514 1.00 0.00 C ATOM 388 CD PRO A 37 -3.544 16.240 4.512 1.00 0.00 C ATOM 0 HA PRO A 37 -1.086 18.319 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.335 19.583 4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.295 18.902 3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.662 17.829 5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.099 17.602 3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.759 15.676 5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.862 15.624 3.671 1.00 0.00 H new ATOM 396 N GLY A 38 -0.051 18.873 5.783 1.00 0.00 N ATOM 397 CA GLY A 38 0.559 19.310 7.066 1.00 0.00 C ATOM 398 C GLY A 38 1.662 18.320 7.436 1.00 0.00 C ATOM 399 O GLY A 38 2.529 18.606 8.238 1.00 0.00 O ATOM 0 H GLY A 38 0.570 18.909 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.969 20.315 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.196 19.348 7.851 1.00 0.00 H new ATOM 403 N CYS A 39 1.635 17.153 6.850 1.00 0.00 N ATOM 404 CA CYS A 39 2.683 16.138 7.159 1.00 0.00 C ATOM 405 C CYS A 39 4.043 16.643 6.671 1.00 0.00 C ATOM 406 O CYS A 39 4.130 17.607 5.936 1.00 0.00 O ATOM 407 CB CYS A 39 2.349 14.829 6.444 1.00 0.00 C ATOM 408 SG CYS A 39 3.296 13.476 7.187 1.00 0.00 S ATOM 0 H CYS A 39 0.933 16.859 6.171 1.00 0.00 H new ATOM 0 HA CYS A 39 2.718 15.971 8.236 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.281 14.624 6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.584 14.912 5.383 1.00 0.00 H new ATOM 413 N THR A 40 5.104 15.997 7.068 1.00 0.00 N ATOM 414 CA THR A 40 6.454 16.436 6.620 1.00 0.00 C ATOM 415 C THR A 40 7.457 15.299 6.834 1.00 0.00 C ATOM 416 O THR A 40 8.638 15.526 7.002 1.00 0.00 O ATOM 417 CB THR A 40 6.887 17.659 7.432 1.00 0.00 C ATOM 418 OG1 THR A 40 5.807 18.580 7.510 1.00 0.00 O ATOM 419 CG2 THR A 40 8.084 18.329 6.751 1.00 0.00 C ATOM 0 H THR A 40 5.094 15.184 7.684 1.00 0.00 H new ATOM 0 HA THR A 40 6.420 16.696 5.562 1.00 0.00 H new ATOM 0 HB THR A 40 7.172 17.346 8.437 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.390 18.671 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.392 19.200 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.911 17.622 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.802 18.643 5.746 1.00 0.00 H new ATOM 427 N LYS A 41 6.996 14.077 6.832 1.00 0.00 N ATOM 428 CA LYS A 41 7.928 12.931 7.038 1.00 0.00 C ATOM 429 C LYS A 41 7.649 11.843 5.998 1.00 0.00 C ATOM 430 O LYS A 41 6.516 11.590 5.636 1.00 0.00 O ATOM 431 CB LYS A 41 7.723 12.357 8.442 1.00 0.00 C ATOM 432 CG LYS A 41 9.041 11.770 8.953 1.00 0.00 C ATOM 433 CD LYS A 41 8.760 10.840 10.136 1.00 0.00 C ATOM 434 CE LYS A 41 8.326 11.671 11.345 1.00 0.00 C ATOM 435 NZ LYS A 41 8.071 10.768 12.502 1.00 0.00 N ATOM 0 H LYS A 41 6.017 13.823 6.697 1.00 0.00 H new ATOM 0 HA LYS A 41 8.956 13.278 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.374 13.138 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.953 11.586 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.540 11.220 8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.714 12.571 9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.980 10.125 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.652 10.263 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.100 12.395 11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.426 12.237 11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.776 11.332 13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.318 10.094 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.941 10.247 12.734 1.00 0.00 H new ATOM 449 N THR A 42 8.674 11.194 5.517 1.00 0.00 N ATOM 450 CA THR A 42 8.475 10.117 4.505 1.00 0.00 C ATOM 451 C THR A 42 9.019 8.798 5.059 1.00 0.00 C ATOM 452 O THR A 42 9.562 8.750 6.144 1.00 0.00 O ATOM 453 CB THR A 42 9.221 10.478 3.220 1.00 0.00 C ATOM 454 OG1 THR A 42 10.564 10.022 3.311 1.00 0.00 O ATOM 455 CG2 THR A 42 9.208 11.996 3.025 1.00 0.00 C ATOM 0 H THR A 42 9.644 11.364 5.782 1.00 0.00 H new ATOM 0 HA THR A 42 7.412 10.012 4.287 1.00 0.00 H new ATOM 0 HB THR A 42 8.731 10.003 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.044 10.251 2.488 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.741 12.250 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.178 12.345 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.696 12.476 3.873 1.00 0.00 H new ATOM 463 N PHE A 43 8.880 7.726 4.325 1.00 0.00 N ATOM 464 CA PHE A 43 9.393 6.417 4.822 1.00 0.00 C ATOM 465 C PHE A 43 9.748 5.519 3.635 1.00 0.00 C ATOM 466 O PHE A 43 10.044 5.990 2.554 1.00 0.00 O ATOM 467 CB PHE A 43 8.316 5.737 5.672 1.00 0.00 C ATOM 468 CG PHE A 43 7.662 6.761 6.568 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.667 7.603 6.059 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.052 6.868 7.908 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.062 8.554 6.890 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.447 7.818 8.739 1.00 0.00 C ATOM 473 CZ PHE A 43 6.452 8.661 8.230 1.00 0.00 C ATOM 0 H PHE A 43 8.436 7.700 3.407 1.00 0.00 H new ATOM 0 HA PHE A 43 10.284 6.584 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.570 5.271 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.759 4.943 6.272 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.366 7.519 5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.820 6.218 8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.295 9.205 6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.748 7.901 9.773 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.985 9.394 8.871 1.00 0.00 H new ATOM 483 N LYS A 44 9.722 4.228 3.827 1.00 0.00 N ATOM 484 CA LYS A 44 10.055 3.298 2.711 1.00 0.00 C ATOM 485 C LYS A 44 9.039 2.156 2.677 1.00 0.00 C ATOM 486 O LYS A 44 8.082 2.144 3.425 1.00 0.00 O ATOM 487 CB LYS A 44 11.460 2.726 2.923 1.00 0.00 C ATOM 488 CG LYS A 44 11.533 2.044 4.291 1.00 0.00 C ATOM 489 CD LYS A 44 12.980 1.644 4.585 1.00 0.00 C ATOM 490 CE LYS A 44 13.030 0.172 5.003 1.00 0.00 C ATOM 491 NZ LYS A 44 13.703 -0.625 3.939 1.00 0.00 N ATOM 0 H LYS A 44 9.484 3.777 4.710 1.00 0.00 H new ATOM 0 HA LYS A 44 10.023 3.840 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.695 2.010 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.201 3.523 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.166 2.718 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.891 1.163 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.599 1.803 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.388 2.272 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.569 0.069 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.021 -0.204 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.737 -1.625 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.171 -0.536 3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.671 -0.272 3.801 1.00 0.00 H new ATOM 505 N ARG A 45 9.239 1.194 1.815 1.00 0.00 N ATOM 506 CA ARG A 45 8.282 0.052 1.733 1.00 0.00 C ATOM 507 C ARG A 45 7.903 -0.398 3.146 1.00 0.00 C ATOM 508 O ARG A 45 8.725 -0.894 3.891 1.00 0.00 O ATOM 509 CB ARG A 45 8.937 -1.112 0.987 1.00 0.00 C ATOM 510 CG ARG A 45 7.939 -2.263 0.863 1.00 0.00 C ATOM 511 CD ARG A 45 8.628 -3.580 1.222 1.00 0.00 C ATOM 512 NE ARG A 45 8.550 -4.513 0.062 1.00 0.00 N ATOM 513 CZ ARG A 45 9.168 -4.225 -1.050 1.00 0.00 C ATOM 514 NH1 ARG A 45 10.338 -3.647 -1.015 1.00 0.00 N ATOM 515 NH2 ARG A 45 8.617 -4.514 -2.197 1.00 0.00 N ATOM 0 H ARG A 45 10.023 1.150 1.165 1.00 0.00 H new ATOM 0 HA ARG A 45 7.386 0.368 1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.260 -0.788 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.828 -1.445 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.089 -2.094 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.548 -2.311 -0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.670 -3.398 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.151 -4.027 2.094 1.00 0.00 H new ATOM 0 HE ARG A 45 8.013 -5.377 0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.768 -3.421 -0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.822 -3.422 -1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.703 -4.965 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.101 -4.289 -3.066 1.00 0.00 H new ATOM 529 N ARG A 46 6.662 -0.230 3.517 1.00 0.00 N ATOM 530 CA ARG A 46 6.222 -0.645 4.880 1.00 0.00 C ATOM 531 C ARG A 46 4.906 0.057 5.225 1.00 0.00 C ATOM 532 O ARG A 46 4.526 1.027 4.600 1.00 0.00 O ATOM 533 CB ARG A 46 7.288 -0.252 5.905 1.00 0.00 C ATOM 534 CG ARG A 46 8.059 -1.499 6.342 1.00 0.00 C ATOM 535 CD ARG A 46 7.316 -2.183 7.491 1.00 0.00 C ATOM 536 NE ARG A 46 8.135 -3.316 8.008 1.00 0.00 N ATOM 537 CZ ARG A 46 8.905 -3.144 9.047 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.121 -2.697 8.892 1.00 0.00 N ATOM 539 NH2 ARG A 46 8.458 -3.420 10.243 1.00 0.00 N ATOM 0 H ARG A 46 5.932 0.178 2.933 1.00 0.00 H new ATOM 0 HA ARG A 46 6.078 -1.725 4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.972 0.479 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.821 0.221 6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.165 -2.187 5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.066 -1.225 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.121 -1.467 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.348 -2.547 7.147 1.00 0.00 H new ATOM 0 HE ARG A 46 8.093 -4.226 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.470 -2.482 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.722 -2.563 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.508 -3.770 10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.059 -3.286 11.056 1.00 0.00 H new ATOM 553 N TYR A 47 4.212 -0.421 6.221 1.00 0.00 N ATOM 554 CA TYR A 47 2.925 0.222 6.611 1.00 0.00 C ATOM 555 C TYR A 47 3.170 1.088 7.841 1.00 0.00 C ATOM 556 O TYR A 47 2.252 1.472 8.537 1.00 0.00 O ATOM 557 CB TYR A 47 1.868 -0.838 6.962 1.00 0.00 C ATOM 558 CG TYR A 47 2.452 -2.226 6.846 1.00 0.00 C ATOM 559 CD1 TYR A 47 2.648 -2.800 5.587 1.00 0.00 C ATOM 560 CD2 TYR A 47 2.798 -2.935 8.003 1.00 0.00 C ATOM 561 CE1 TYR A 47 3.189 -4.086 5.480 1.00 0.00 C ATOM 562 CE2 TYR A 47 3.339 -4.223 7.897 1.00 0.00 C ATOM 563 CZ TYR A 47 3.535 -4.798 6.635 1.00 0.00 C ATOM 564 OH TYR A 47 4.067 -6.067 6.531 1.00 0.00 O ATOM 0 H TYR A 47 4.480 -1.229 6.782 1.00 0.00 H new ATOM 0 HA TYR A 47 2.561 0.819 5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.503 -0.674 7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.011 -0.741 6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.382 -2.251 4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.648 -2.490 8.975 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.340 -4.529 4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.605 -4.772 8.788 1.00 0.00 H new ATOM 0 HH TYR A 47 4.252 -6.419 7.427 1.00 0.00 H new ATOM 574 N ASN A 48 4.406 1.387 8.124 1.00 0.00 N ATOM 575 CA ASN A 48 4.708 2.215 9.319 1.00 0.00 C ATOM 576 C ASN A 48 4.003 3.563 9.204 1.00 0.00 C ATOM 577 O ASN A 48 3.879 4.288 10.170 1.00 0.00 O ATOM 578 CB ASN A 48 6.218 2.431 9.431 1.00 0.00 C ATOM 579 CG ASN A 48 6.936 1.086 9.313 1.00 0.00 C ATOM 580 OD1 ASN A 48 7.823 0.927 8.498 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.589 0.103 10.098 1.00 0.00 N ATOM 0 H ASN A 48 5.217 1.094 7.580 1.00 0.00 H new ATOM 0 HA ASN A 48 4.352 1.699 10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.558 3.107 8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.459 2.902 10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.062 -0.798 10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.845 0.235 10.783 1.00 0.00 H new ATOM 588 N ILE A 49 3.520 3.905 8.040 1.00 0.00 N ATOM 589 CA ILE A 49 2.810 5.205 7.906 1.00 0.00 C ATOM 590 C ILE A 49 1.446 5.061 8.529 1.00 0.00 C ATOM 591 O ILE A 49 1.094 5.767 9.432 1.00 0.00 O ATOM 592 CB ILE A 49 2.616 5.589 6.439 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.964 5.922 5.830 1.00 0.00 C ATOM 594 CG2 ILE A 49 1.697 6.807 6.344 1.00 0.00 C ATOM 595 CD1 ILE A 49 4.780 4.647 5.796 1.00 0.00 C ATOM 0 H ILE A 49 3.586 3.348 7.188 1.00 0.00 H new ATOM 0 HA ILE A 49 3.405 5.976 8.395 1.00 0.00 H new ATOM 0 HB ILE A 49 2.165 4.756 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.841 6.324 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.472 6.686 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.560 7.079 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.730 6.568 6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.145 7.643 6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.759 4.853 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.905 4.268 6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.264 3.901 5.191 1.00 0.00 H new ATOM 607 N ARG A 50 0.664 4.158 8.037 1.00 0.00 N ATOM 608 CA ARG A 50 -0.696 4.002 8.595 1.00 0.00 C ATOM 609 C ARG A 50 -0.656 4.106 10.119 1.00 0.00 C ATOM 610 O ARG A 50 -1.608 4.529 10.741 1.00 0.00 O ATOM 611 CB ARG A 50 -1.286 2.656 8.169 1.00 0.00 C ATOM 612 CG ARG A 50 -2.704 2.515 8.726 1.00 0.00 C ATOM 613 CD ARG A 50 -2.905 1.091 9.247 1.00 0.00 C ATOM 614 NE ARG A 50 -2.465 1.015 10.668 1.00 0.00 N ATOM 615 CZ ARG A 50 -2.812 -0.004 11.404 1.00 0.00 C ATOM 616 NH1 ARG A 50 -3.295 -1.079 10.844 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.678 0.053 12.701 1.00 0.00 N ATOM 0 H ARG A 50 0.904 3.523 7.276 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.330 4.800 8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.303 2.583 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.659 1.842 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.864 3.234 9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.436 2.737 7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.954 0.807 9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.335 0.387 8.641 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.892 1.760 11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.401 -1.122 9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.566 -1.876 11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.302 0.894 13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.949 -0.744 13.277 1.00 0.00 H new ATOM 631 N SER A 51 0.444 3.764 10.728 1.00 0.00 N ATOM 632 CA SER A 51 0.522 3.897 12.204 1.00 0.00 C ATOM 633 C SER A 51 0.958 5.327 12.515 1.00 0.00 C ATOM 634 O SER A 51 0.450 5.967 13.414 1.00 0.00 O ATOM 635 CB SER A 51 1.538 2.904 12.767 1.00 0.00 C ATOM 636 OG SER A 51 1.116 2.482 14.058 1.00 0.00 O ATOM 0 H SER A 51 1.282 3.403 10.272 1.00 0.00 H new ATOM 0 HA SER A 51 -0.445 3.685 12.659 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.630 2.045 12.103 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.523 3.368 12.827 1.00 0.00 H new ATOM 0 HG SER A 51 1.764 1.844 14.422 1.00 0.00 H new ATOM 642 N HIS A 52 1.885 5.831 11.753 1.00 0.00 N ATOM 643 CA HIS A 52 2.359 7.224 11.963 1.00 0.00 C ATOM 644 C HIS A 52 1.188 8.185 11.748 1.00 0.00 C ATOM 645 O HIS A 52 0.872 8.993 12.600 1.00 0.00 O ATOM 646 CB HIS A 52 3.517 7.516 10.973 1.00 0.00 C ATOM 647 CG HIS A 52 3.345 8.863 10.307 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.080 9.974 10.689 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.492 9.301 9.319 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.653 11.015 9.951 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.684 10.659 9.103 1.00 0.00 N ATOM 0 H HIS A 52 2.338 5.333 10.987 1.00 0.00 H new ATOM 0 HA HIS A 52 2.732 7.357 12.979 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.468 7.490 11.505 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.555 6.735 10.214 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.811 9.998 11.400 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.781 8.682 8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.046 12.017 10.034 1.00 0.00 H new ATOM 659 N ILE A 53 0.546 8.116 10.618 1.00 0.00 N ATOM 660 CA ILE A 53 -0.584 9.041 10.379 1.00 0.00 C ATOM 661 C ILE A 53 -1.635 8.819 11.455 1.00 0.00 C ATOM 662 O ILE A 53 -2.117 9.754 12.051 1.00 0.00 O ATOM 663 CB ILE A 53 -1.205 8.821 8.993 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.974 7.393 8.504 1.00 0.00 C ATOM 665 CG2 ILE A 53 -0.566 9.785 7.998 1.00 0.00 C ATOM 666 CD1 ILE A 53 -1.704 7.205 7.180 1.00 0.00 C ATOM 0 H ILE A 53 0.754 7.466 9.860 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.212 10.065 10.417 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.278 8.997 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.092 7.205 8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.339 6.678 9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.004 9.633 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.744 10.811 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.507 9.601 7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.547 6.188 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.770 7.378 7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.317 7.914 6.448 1.00 0.00 H new ATOM 678 N GLN A 54 -1.986 7.592 11.719 1.00 0.00 N ATOM 679 CA GLN A 54 -3.011 7.328 12.766 1.00 0.00 C ATOM 680 C GLN A 54 -2.755 8.224 13.968 1.00 0.00 C ATOM 681 O GLN A 54 -3.672 8.615 14.662 1.00 0.00 O ATOM 682 CB GLN A 54 -2.958 5.861 13.191 1.00 0.00 C ATOM 683 CG GLN A 54 -4.341 5.229 13.017 1.00 0.00 C ATOM 684 CD GLN A 54 -4.492 4.713 11.584 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.165 3.729 11.349 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.891 5.339 10.610 1.00 0.00 N ATOM 0 H GLN A 54 -1.610 6.764 11.258 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.000 7.543 12.361 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.223 5.324 12.591 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.639 5.784 14.230 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.470 4.410 13.725 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.117 5.963 13.234 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.326 6.165 10.807 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.986 5.002 9.652 1.00 0.00 H new ATOM 695 N THR A 55 -1.527 8.569 14.224 1.00 0.00 N ATOM 696 CA THR A 55 -1.267 9.454 15.384 1.00 0.00 C ATOM 697 C THR A 55 -1.547 10.896 14.983 1.00 0.00 C ATOM 698 O THR A 55 -2.201 11.630 15.699 1.00 0.00 O ATOM 699 CB THR A 55 0.186 9.308 15.842 1.00 0.00 C ATOM 700 OG1 THR A 55 0.903 8.532 14.892 1.00 0.00 O ATOM 701 CG2 THR A 55 0.227 8.615 17.205 1.00 0.00 C ATOM 0 H THR A 55 -0.707 8.282 13.690 1.00 0.00 H new ATOM 0 HA THR A 55 -1.920 9.172 16.210 1.00 0.00 H new ATOM 0 HB THR A 55 0.642 10.294 15.926 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.980 9.032 14.053 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.262 8.512 17.530 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.324 9.211 17.933 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.228 7.628 17.125 1.00 0.00 H new ATOM 709 N HIS A 56 -1.068 11.317 13.850 1.00 0.00 N ATOM 710 CA HIS A 56 -1.326 12.709 13.430 1.00 0.00 C ATOM 711 C HIS A 56 -2.531 12.751 12.489 1.00 0.00 C ATOM 712 O HIS A 56 -2.721 13.685 11.736 1.00 0.00 O ATOM 713 CB HIS A 56 -0.056 13.294 12.809 1.00 0.00 C ATOM 714 CG HIS A 56 -0.026 13.222 11.301 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.646 14.172 10.502 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.711 12.444 10.446 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.241 13.957 9.233 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.592 12.917 9.145 1.00 0.00 N ATOM 0 H HIS A 56 -0.512 10.758 13.203 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.579 13.330 14.289 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.041 14.335 13.116 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.809 12.763 13.206 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.289 14.899 10.816 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.299 11.587 10.741 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.553 14.555 8.389 1.00 0.00 H new ATOM 726 N LEU A 57 -3.377 11.752 12.574 1.00 0.00 N ATOM 727 CA LEU A 57 -4.609 11.729 11.743 1.00 0.00 C ATOM 728 C LEU A 57 -5.806 11.378 12.637 1.00 0.00 C ATOM 729 O LEU A 57 -6.936 11.694 12.318 1.00 0.00 O ATOM 730 CB LEU A 57 -4.493 10.696 10.616 1.00 0.00 C ATOM 731 CG LEU A 57 -4.273 11.419 9.289 1.00 0.00 C ATOM 732 CD1 LEU A 57 -2.811 11.278 8.863 1.00 0.00 C ATOM 733 CD2 LEU A 57 -5.178 10.807 8.216 1.00 0.00 C ATOM 0 H LEU A 57 -3.260 10.948 13.190 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.747 12.712 11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.665 10.016 10.814 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.398 10.090 10.568 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.515 12.475 9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.657 11.795 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.166 11.716 9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.567 10.222 8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.020 11.324 7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.938 9.750 8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.221 10.911 8.517 1.00 0.00 H new ATOM 745 N GLU A 58 -5.577 10.735 13.763 1.00 0.00 N ATOM 746 CA GLU A 58 -6.718 10.388 14.657 1.00 0.00 C ATOM 747 C GLU A 58 -7.209 11.652 15.365 1.00 0.00 C ATOM 748 O GLU A 58 -8.340 11.733 15.802 1.00 0.00 O ATOM 749 CB GLU A 58 -6.259 9.367 15.701 1.00 0.00 C ATOM 750 CG GLU A 58 -7.382 9.133 16.715 1.00 0.00 C ATOM 751 CD GLU A 58 -6.828 8.387 17.931 1.00 0.00 C ATOM 752 OE1 GLU A 58 -6.760 7.170 17.874 1.00 0.00 O ATOM 753 OE2 GLU A 58 -6.481 9.045 18.898 1.00 0.00 O ATOM 0 H GLU A 58 -4.658 10.441 14.093 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.527 9.962 14.064 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.992 8.429 15.215 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.365 9.728 16.209 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.811 10.086 17.025 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.185 8.556 16.257 1.00 0.00 H new ATOM 760 N ASP A 59 -6.366 12.642 15.481 1.00 0.00 N ATOM 761 CA ASP A 59 -6.779 13.901 16.159 1.00 0.00 C ATOM 762 C ASP A 59 -8.092 14.402 15.552 1.00 0.00 C ATOM 763 O ASP A 59 -9.133 14.357 16.176 1.00 0.00 O ATOM 764 CB ASP A 59 -5.693 14.961 15.968 1.00 0.00 C ATOM 765 CG ASP A 59 -5.335 15.576 17.323 1.00 0.00 C ATOM 766 OD1 ASP A 59 -6.242 16.008 18.014 1.00 0.00 O ATOM 767 OD2 ASP A 59 -4.159 15.606 17.645 1.00 0.00 O ATOM 0 H ASP A 59 -5.407 12.632 15.134 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.920 13.711 17.223 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.809 14.513 15.515 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.043 15.736 15.286 1.00 0.00 H new ATOM 772 N ARG A 60 -8.052 14.878 14.338 1.00 0.00 N ATOM 773 CA ARG A 60 -9.298 15.380 13.693 1.00 0.00 C ATOM 774 C ARG A 60 -9.575 14.578 12.420 1.00 0.00 C ATOM 775 O ARG A 60 -10.613 14.797 11.819 1.00 0.00 O ATOM 776 CB ARG A 60 -9.127 16.858 13.336 1.00 0.00 C ATOM 777 CG ARG A 60 -10.497 17.541 13.320 1.00 0.00 C ATOM 778 CD ARG A 60 -10.848 18.018 14.730 1.00 0.00 C ATOM 779 NE ARG A 60 -9.881 19.071 15.153 1.00 0.00 N ATOM 780 CZ ARG A 60 -10.220 20.331 15.096 1.00 0.00 C ATOM 781 NH1 ARG A 60 -10.322 20.927 13.940 1.00 0.00 N ATOM 782 NH2 ARG A 60 -10.458 20.993 16.196 1.00 0.00 N ATOM 783 OXT ARG A 60 -8.742 13.758 12.067 1.00 0.00 O ATOM 0 H ARG A 60 -7.211 14.941 13.765 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.134 15.266 14.383 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.474 17.345 14.061 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.649 16.955 12.361 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.485 18.386 12.632 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.257 16.847 12.960 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.864 18.413 14.750 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.818 17.180 15.427 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.954 18.807 15.487 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.137 20.409 13.081 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.587 21.911 13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.379 20.526 17.099 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.723 21.977 16.152 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.748 11.916 7.854 1.00 0.00 ZN