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 -39:sc= 0.0187 USER MOD Single : A 19 SER OG : rot 172:sc= -2.03! 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 -131:sc= -0.34 (180deg=-2.48!) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0185 (180deg=-0.381) USER MOD Single : A 31 THR OG1 : rot -172:sc= -2.05! USER MOD Single : A 40 THR OG1 : rot -59:sc= 1.15 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.03! C(o=-3!,f=-4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -16.123 -3.740 11.268 1.00 0.00 N ATOM 2 CA THR A 14 -15.222 -3.118 10.256 1.00 0.00 C ATOM 3 C THR A 14 -14.557 -1.878 10.857 1.00 0.00 C ATOM 4 O THR A 14 -15.040 -1.306 11.814 1.00 0.00 O ATOM 5 CB THR A 14 -16.040 -2.712 9.027 1.00 0.00 C ATOM 6 OG1 THR A 14 -16.925 -1.657 9.377 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.845 -3.912 8.529 1.00 0.00 C ATOM 0 HA THR A 14 -14.455 -3.835 9.963 1.00 0.00 H new ATOM 0 HB THR A 14 -15.368 -2.376 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.286 -1.817 10.274 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.427 -3.622 7.654 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.165 -4.720 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.518 -4.251 9.317 1.00 0.00 H new ATOM 17 N LEU A 15 -13.452 -1.460 10.304 1.00 0.00 N ATOM 18 CA LEU A 15 -12.757 -0.257 10.844 1.00 0.00 C ATOM 19 C LEU A 15 -12.671 0.816 9.755 1.00 0.00 C ATOM 20 O LEU A 15 -12.775 0.515 8.582 1.00 0.00 O ATOM 21 CB LEU A 15 -11.347 -0.642 11.293 1.00 0.00 C ATOM 22 CG LEU A 15 -10.596 -1.281 10.124 1.00 0.00 C ATOM 23 CD1 LEU A 15 -9.328 -0.477 9.830 1.00 0.00 C ATOM 24 CD2 LEU A 15 -10.213 -2.717 10.488 1.00 0.00 C ATOM 0 H LEU A 15 -13.000 -1.899 9.502 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.316 0.134 11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.812 0.240 11.644 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.398 -1.338 12.130 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.236 -1.286 9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.793 -0.933 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.598 0.547 9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.688 -0.471 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.678 -3.173 9.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.573 -2.710 11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.115 -3.292 10.698 1.00 0.00 H new ATOM 36 N PRO A 16 -12.484 2.040 10.178 1.00 0.00 N ATOM 37 CA PRO A 16 -12.376 3.190 9.264 1.00 0.00 C ATOM 38 C PRO A 16 -10.984 3.234 8.624 1.00 0.00 C ATOM 39 O PRO A 16 -9.983 3.039 9.282 1.00 0.00 O ATOM 40 CB PRO A 16 -12.598 4.397 10.179 1.00 0.00 C ATOM 41 CG PRO A 16 -12.256 3.928 11.612 1.00 0.00 C ATOM 42 CD PRO A 16 -12.360 2.390 11.608 1.00 0.00 C ATOM 0 HA PRO A 16 -13.087 3.152 8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.963 5.232 9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.629 4.744 10.120 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.253 4.248 11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.946 4.361 12.337 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.479 1.930 12.056 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.223 2.048 12.178 1.00 0.00 H new ATOM 50 N ARG A 17 -10.916 3.489 7.346 1.00 0.00 N ATOM 51 CA ARG A 17 -9.591 3.543 6.668 1.00 0.00 C ATOM 52 C ARG A 17 -9.682 4.454 5.443 1.00 0.00 C ATOM 53 O ARG A 17 -9.060 4.209 4.428 1.00 0.00 O ATOM 54 CB ARG A 17 -9.184 2.135 6.229 1.00 0.00 C ATOM 55 CG ARG A 17 -10.054 1.698 5.049 1.00 0.00 C ATOM 56 CD ARG A 17 -10.716 0.357 5.370 1.00 0.00 C ATOM 57 NE ARG A 17 -11.935 0.589 6.196 1.00 0.00 N ATOM 58 CZ ARG A 17 -12.937 -0.243 6.129 1.00 0.00 C ATOM 59 NH1 ARG A 17 -12.754 -1.507 6.400 1.00 0.00 N ATOM 60 NH2 ARG A 17 -14.122 0.187 5.793 1.00 0.00 N ATOM 0 H ARG A 17 -11.720 3.662 6.743 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.845 3.937 7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.132 2.121 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.299 1.436 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.815 2.452 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.446 1.609 4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.982 -0.159 4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.018 -0.286 5.906 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.985 1.399 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.828 -1.843 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.537 -2.158 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.265 1.175 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.905 -0.464 5.741 1.00 0.00 H new ATOM 74 N GLY A 18 -10.453 5.503 5.528 1.00 0.00 N ATOM 75 CA GLY A 18 -10.582 6.428 4.366 1.00 0.00 C ATOM 76 C GLY A 18 -9.775 7.700 4.629 1.00 0.00 C ATOM 77 O GLY A 18 -9.563 8.506 3.745 1.00 0.00 O ATOM 0 H GLY A 18 -10.999 5.760 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.225 5.940 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.630 6.678 4.202 1.00 0.00 H new ATOM 81 N SER A 19 -9.320 7.888 5.837 1.00 0.00 N ATOM 82 CA SER A 19 -8.529 9.107 6.155 1.00 0.00 C ATOM 83 C SER A 19 -7.037 8.798 6.005 1.00 0.00 C ATOM 84 O SER A 19 -6.209 9.686 5.970 1.00 0.00 O ATOM 85 CB SER A 19 -8.822 9.543 7.591 1.00 0.00 C ATOM 86 OG SER A 19 -7.614 9.963 8.214 1.00 0.00 O ATOM 0 H SER A 19 -9.463 7.248 6.618 1.00 0.00 H new ATOM 0 HA SER A 19 -8.803 9.910 5.471 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.548 10.356 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.265 8.718 8.150 1.00 0.00 H new ATOM 0 HG SER A 19 -7.817 10.362 9.086 1.00 0.00 H new ATOM 92 N ILE A 20 -6.690 7.542 5.919 1.00 0.00 N ATOM 93 CA ILE A 20 -5.256 7.170 5.776 1.00 0.00 C ATOM 94 C ILE A 20 -4.968 6.811 4.323 1.00 0.00 C ATOM 95 O ILE A 20 -3.979 7.225 3.752 1.00 0.00 O ATOM 96 CB ILE A 20 -4.949 5.965 6.666 1.00 0.00 C ATOM 97 CG1 ILE A 20 -5.851 6.006 7.897 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.486 6.016 7.106 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.648 7.333 8.623 1.00 0.00 C ATOM 0 H ILE A 20 -7.341 6.757 5.942 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.632 8.012 6.075 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.129 5.045 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.894 5.895 7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.617 5.174 8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.267 5.157 7.740 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.841 5.992 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.306 6.935 7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.290 7.368 9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.606 7.424 8.930 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.903 8.156 7.955 1.00 0.00 H new ATOM 111 N ASP A 21 -5.827 6.044 3.723 1.00 0.00 N ATOM 112 CA ASP A 21 -5.614 5.655 2.301 1.00 0.00 C ATOM 113 C ASP A 21 -5.741 6.897 1.416 1.00 0.00 C ATOM 114 O ASP A 21 -5.428 6.871 0.243 1.00 0.00 O ATOM 115 CB ASP A 21 -6.666 4.625 1.886 1.00 0.00 C ATOM 116 CG ASP A 21 -6.524 3.371 2.752 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.996 3.486 3.845 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.947 2.317 2.305 1.00 0.00 O ATOM 0 H ASP A 21 -6.671 5.667 4.154 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.621 5.221 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.665 5.045 1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.544 4.369 0.834 1.00 0.00 H new ATOM 123 N LYS A 22 -6.198 7.985 1.974 1.00 0.00 N ATOM 124 CA LYS A 22 -6.348 9.229 1.170 1.00 0.00 C ATOM 125 C LYS A 22 -5.156 10.153 1.434 1.00 0.00 C ATOM 126 O LYS A 22 -5.184 11.324 1.110 1.00 0.00 O ATOM 127 CB LYS A 22 -7.642 9.941 1.573 1.00 0.00 C ATOM 128 CG LYS A 22 -8.429 10.324 0.318 1.00 0.00 C ATOM 129 CD LYS A 22 -9.100 11.681 0.532 1.00 0.00 C ATOM 130 CE LYS A 22 -9.898 11.658 1.837 1.00 0.00 C ATOM 131 NZ LYS A 22 -11.317 12.020 1.561 1.00 0.00 N ATOM 0 H LYS A 22 -6.474 8.065 2.953 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.385 8.976 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.244 9.291 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.412 10.832 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.762 10.368 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.180 9.565 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.347 12.469 0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.760 11.908 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.846 10.668 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.466 12.358 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.858 12.004 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.358 12.973 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.726 11.335 0.894 1.00 0.00 H new ATOM 145 N TYR A 23 -4.109 9.638 2.021 1.00 0.00 N ATOM 146 CA TYR A 23 -2.921 10.490 2.303 1.00 0.00 C ATOM 147 C TYR A 23 -1.677 9.612 2.450 1.00 0.00 C ATOM 148 O TYR A 23 -0.693 10.009 3.042 1.00 0.00 O ATOM 149 CB TYR A 23 -3.152 11.272 3.596 1.00 0.00 C ATOM 150 CG TYR A 23 -3.954 12.513 3.293 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.488 13.433 2.347 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.164 12.744 3.957 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.232 14.582 2.063 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.909 13.894 3.674 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.444 14.814 2.727 1.00 0.00 C ATOM 156 OH TYR A 23 -6.178 15.949 2.448 1.00 0.00 O ATOM 0 H TYR A 23 -4.026 8.665 2.317 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.772 11.186 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.680 10.652 4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.197 11.543 4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.553 13.255 1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.523 12.035 4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.873 15.291 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.843 14.072 4.186 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.991 15.955 2.995 1.00 0.00 H new ATOM 166 N VAL A 24 -1.711 8.422 1.915 1.00 0.00 N ATOM 167 CA VAL A 24 -0.527 7.523 2.025 1.00 0.00 C ATOM 168 C VAL A 24 0.039 7.258 0.628 1.00 0.00 C ATOM 169 O VAL A 24 -0.459 6.429 -0.107 1.00 0.00 O ATOM 170 CB VAL A 24 -0.946 6.198 2.664 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.195 5.187 2.537 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.265 6.423 4.143 1.00 0.00 C ATOM 0 H VAL A 24 -2.506 8.034 1.407 1.00 0.00 H new ATOM 0 HA VAL A 24 0.234 7.998 2.645 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.830 5.814 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.103 4.243 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.423 5.026 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.080 5.571 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.564 5.479 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.381 6.808 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.078 7.143 4.234 1.00 0.00 H new ATOM 182 N LYS A 25 1.078 7.955 0.254 1.00 0.00 N ATOM 183 CA LYS A 25 1.672 7.740 -1.095 1.00 0.00 C ATOM 184 C LYS A 25 2.562 6.495 -1.065 1.00 0.00 C ATOM 185 O LYS A 25 3.732 6.565 -0.747 1.00 0.00 O ATOM 186 CB LYS A 25 2.510 8.958 -1.486 1.00 0.00 C ATOM 187 CG LYS A 25 2.038 9.492 -2.840 1.00 0.00 C ATOM 188 CD LYS A 25 2.918 8.918 -3.952 1.00 0.00 C ATOM 189 CE LYS A 25 2.716 9.729 -5.233 1.00 0.00 C ATOM 190 NZ LYS A 25 2.178 8.841 -6.302 1.00 0.00 N ATOM 0 H LYS A 25 1.540 8.663 0.824 1.00 0.00 H new ATOM 0 HA LYS A 25 0.875 7.601 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.419 9.734 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.564 8.685 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.997 9.217 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.086 10.581 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.966 8.947 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.665 7.872 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.027 10.554 -5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.662 10.168 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.040 9.391 -7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.851 8.069 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.267 8.443 -5.997 1.00 0.00 H new ATOM 204 N GLU A 26 2.016 5.357 -1.392 1.00 0.00 N ATOM 205 CA GLU A 26 2.828 4.108 -1.380 1.00 0.00 C ATOM 206 C GLU A 26 3.534 3.943 -2.728 1.00 0.00 C ATOM 207 O GLU A 26 2.902 3.792 -3.755 1.00 0.00 O ATOM 208 CB GLU A 26 1.913 2.908 -1.134 1.00 0.00 C ATOM 209 CG GLU A 26 0.851 2.842 -2.234 1.00 0.00 C ATOM 210 CD GLU A 26 -0.542 2.909 -1.605 1.00 0.00 C ATOM 211 OE1 GLU A 26 -0.985 1.898 -1.086 1.00 0.00 O ATOM 212 OE2 GLU A 26 -1.142 3.970 -1.655 1.00 0.00 O ATOM 0 H GLU A 26 1.041 5.238 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 26 3.572 4.167 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.497 1.988 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.436 2.995 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.985 3.667 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.960 1.919 -2.804 1.00 0.00 H new ATOM 219 N MET A 27 4.839 3.967 -2.735 1.00 0.00 N ATOM 220 CA MET A 27 5.578 3.807 -4.019 1.00 0.00 C ATOM 221 C MET A 27 6.025 2.346 -4.169 1.00 0.00 C ATOM 222 O MET A 27 6.561 1.767 -3.241 1.00 0.00 O ATOM 223 CB MET A 27 6.805 4.720 -4.017 1.00 0.00 C ATOM 224 CG MET A 27 6.414 6.100 -3.486 1.00 0.00 C ATOM 225 SD MET A 27 7.414 7.367 -4.306 1.00 0.00 S ATOM 226 CE MET A 27 6.109 8.038 -5.365 1.00 0.00 C ATOM 0 H MET A 27 5.424 4.090 -1.909 1.00 0.00 H new ATOM 0 HA MET A 27 4.928 4.076 -4.852 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.591 4.289 -3.396 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.208 4.808 -5.026 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.355 6.284 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.566 6.143 -2.408 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.473 8.109 -6.390 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.240 7.381 -5.333 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.827 9.030 -5.011 1.00 0.00 H new ATOM 236 N PRO A 28 5.797 1.792 -5.336 1.00 0.00 N ATOM 237 CA PRO A 28 6.163 0.396 -5.631 1.00 0.00 C ATOM 238 C PRO A 28 7.678 0.270 -5.776 1.00 0.00 C ATOM 239 O PRO A 28 8.220 -0.816 -5.828 1.00 0.00 O ATOM 240 CB PRO A 28 5.438 0.097 -6.945 1.00 0.00 C ATOM 241 CG PRO A 28 5.158 1.465 -7.607 1.00 0.00 C ATOM 242 CD PRO A 28 5.176 2.506 -6.472 1.00 0.00 C ATOM 0 HA PRO A 28 5.881 -0.304 -4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.050 -0.530 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.509 -0.444 -6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.914 1.695 -8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.194 1.461 -8.116 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.752 3.389 -6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.170 2.846 -6.227 1.00 0.00 H new ATOM 250 N ASP A 29 8.367 1.375 -5.818 1.00 0.00 N ATOM 251 CA ASP A 29 9.845 1.323 -5.932 1.00 0.00 C ATOM 252 C ASP A 29 10.439 1.240 -4.526 1.00 0.00 C ATOM 253 O ASP A 29 11.618 1.450 -4.330 1.00 0.00 O ATOM 254 CB ASP A 29 10.353 2.585 -6.636 1.00 0.00 C ATOM 255 CG ASP A 29 10.244 3.782 -5.688 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.154 4.316 -5.565 1.00 0.00 O ATOM 257 OD2 ASP A 29 11.251 4.144 -5.103 1.00 0.00 O ATOM 0 H ASP A 29 7.967 2.312 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 29 10.144 0.451 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.389 2.448 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.771 2.769 -7.539 1.00 0.00 H new ATOM 262 N LYS A 30 9.617 0.942 -3.547 1.00 0.00 N ATOM 263 CA LYS A 30 10.093 0.843 -2.145 1.00 0.00 C ATOM 264 C LYS A 30 10.199 2.248 -1.557 1.00 0.00 C ATOM 265 O LYS A 30 11.259 2.689 -1.160 1.00 0.00 O ATOM 266 CB LYS A 30 11.456 0.165 -2.108 1.00 0.00 C ATOM 267 CG LYS A 30 11.429 -1.097 -2.972 1.00 0.00 C ATOM 268 CD LYS A 30 12.735 -1.202 -3.763 1.00 0.00 C ATOM 269 CE LYS A 30 13.837 -1.751 -2.856 1.00 0.00 C ATOM 270 NZ LYS A 30 14.576 -0.618 -2.230 1.00 0.00 N ATOM 0 H LYS A 30 8.621 0.762 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 30 9.389 0.251 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.223 0.849 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.717 -0.091 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.300 -1.978 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.580 -1.065 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.599 -1.855 -4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.020 -0.223 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.404 -2.387 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.522 -2.371 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.498 -0.953 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.723 0.133 -2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.024 -0.241 -1.433 1.00 0.00 H new ATOM 284 N THR A 31 9.105 2.957 -1.502 1.00 0.00 N ATOM 285 CA THR A 31 9.142 4.335 -0.944 1.00 0.00 C ATOM 286 C THR A 31 7.800 4.659 -0.286 1.00 0.00 C ATOM 287 O THR A 31 6.874 3.874 -0.316 1.00 0.00 O ATOM 288 CB THR A 31 9.417 5.331 -2.068 1.00 0.00 C ATOM 289 OG1 THR A 31 10.208 4.709 -3.071 1.00 0.00 O ATOM 290 CG2 THR A 31 10.161 6.544 -1.507 1.00 0.00 C ATOM 0 H THR A 31 8.189 2.641 -1.819 1.00 0.00 H new ATOM 0 HA THR A 31 9.933 4.403 -0.198 1.00 0.00 H new ATOM 0 HB THR A 31 8.472 5.656 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.485 5.378 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.357 7.254 -2.310 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.551 7.022 -0.740 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.106 6.221 -1.070 1.00 0.00 H new ATOM 298 N PHE A 32 7.690 5.816 0.308 1.00 0.00 N ATOM 299 CA PHE A 32 6.411 6.201 0.970 1.00 0.00 C ATOM 300 C PHE A 32 6.381 7.721 1.141 1.00 0.00 C ATOM 301 O PHE A 32 7.409 8.358 1.256 1.00 0.00 O ATOM 302 CB PHE A 32 6.323 5.531 2.343 1.00 0.00 C ATOM 303 CG PHE A 32 5.380 4.354 2.271 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.060 4.540 1.845 1.00 0.00 C ATOM 305 CD2 PHE A 32 5.826 3.075 2.629 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.186 3.449 1.778 1.00 0.00 C ATOM 307 CE2 PHE A 32 4.951 1.985 2.563 1.00 0.00 C ATOM 308 CZ PHE A 32 3.631 2.171 2.138 1.00 0.00 C ATOM 0 H PHE A 32 8.433 6.513 0.363 1.00 0.00 H new ATOM 0 HA PHE A 32 5.567 5.880 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.311 5.199 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.972 6.247 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.716 5.525 1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.845 2.930 2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.168 3.593 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.295 0.999 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.956 1.330 2.088 1.00 0.00 H new ATOM 318 N GLU A 33 5.218 8.314 1.154 1.00 0.00 N ATOM 319 CA GLU A 33 5.156 9.792 1.312 1.00 0.00 C ATOM 320 C GLU A 33 3.804 10.215 1.891 1.00 0.00 C ATOM 321 O GLU A 33 2.854 10.451 1.171 1.00 0.00 O ATOM 322 CB GLU A 33 5.347 10.456 -0.054 1.00 0.00 C ATOM 323 CG GLU A 33 5.400 11.975 0.119 1.00 0.00 C ATOM 324 CD GLU A 33 6.408 12.568 -0.866 1.00 0.00 C ATOM 325 OE1 GLU A 33 6.153 12.501 -2.057 1.00 0.00 O ATOM 326 OE2 GLU A 33 7.420 13.078 -0.413 1.00 0.00 O ATOM 0 H GLU A 33 4.318 7.843 1.063 1.00 0.00 H new ATOM 0 HA GLU A 33 5.946 10.104 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.267 10.100 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.528 10.184 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.413 12.405 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.685 12.225 1.141 1.00 0.00 H new ATOM 333 N CYS A 34 3.716 10.338 3.186 1.00 0.00 N ATOM 334 CA CYS A 34 2.436 10.778 3.808 1.00 0.00 C ATOM 335 C CYS A 34 2.080 12.150 3.228 1.00 0.00 C ATOM 336 O CYS A 34 2.617 13.161 3.632 1.00 0.00 O ATOM 337 CB CYS A 34 2.637 10.877 5.323 1.00 0.00 C ATOM 338 SG CYS A 34 1.079 11.291 6.150 1.00 0.00 S ATOM 0 H CYS A 34 4.476 10.153 3.841 1.00 0.00 H new ATOM 0 HA CYS A 34 1.631 10.072 3.603 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.018 9.931 5.707 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.386 11.636 5.547 1.00 0.00 H new ATOM 343 N LEU A 35 1.202 12.190 2.260 1.00 0.00 N ATOM 344 CA LEU A 35 0.846 13.496 1.633 1.00 0.00 C ATOM 345 C LEU A 35 -0.145 14.265 2.509 1.00 0.00 C ATOM 346 O LEU A 35 -0.697 15.264 2.096 1.00 0.00 O ATOM 347 CB LEU A 35 0.224 13.248 0.257 1.00 0.00 C ATOM 348 CG LEU A 35 -0.903 12.223 0.379 1.00 0.00 C ATOM 349 CD1 LEU A 35 -2.127 12.716 -0.396 1.00 0.00 C ATOM 350 CD2 LEU A 35 -0.440 10.884 -0.202 1.00 0.00 C ATOM 0 H LEU A 35 0.718 11.378 1.878 1.00 0.00 H new ATOM 0 HA LEU A 35 1.753 14.091 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.163 14.182 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.984 12.887 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.164 12.094 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.931 11.985 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.458 13.670 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.865 12.844 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.243 10.152 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.179 11.014 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.433 10.531 0.348 1.00 0.00 H new ATOM 362 N PHE A 36 -0.371 13.827 3.717 1.00 0.00 N ATOM 363 CA PHE A 36 -1.320 14.566 4.594 1.00 0.00 C ATOM 364 C PHE A 36 -0.902 16.039 4.642 1.00 0.00 C ATOM 365 O PHE A 36 0.275 16.342 4.651 1.00 0.00 O ATOM 366 CB PHE A 36 -1.265 13.972 6.000 1.00 0.00 C ATOM 367 CG PHE A 36 -2.175 14.747 6.917 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.740 15.948 7.489 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.452 14.259 7.205 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.582 16.659 8.349 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.296 14.969 8.066 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.861 16.169 8.639 1.00 0.00 C ATOM 0 H PHE A 36 0.056 12.998 4.131 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.335 14.484 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.566 12.925 5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.243 14.001 6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.753 16.326 7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.788 13.333 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.246 17.586 8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.283 14.591 8.288 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.511 16.717 9.305 1.00 0.00 H new ATOM 382 N PRO A 37 -1.874 16.915 4.676 1.00 0.00 N ATOM 383 CA PRO A 37 -1.621 18.365 4.727 1.00 0.00 C ATOM 384 C PRO A 37 -1.148 18.764 6.123 1.00 0.00 C ATOM 385 O PRO A 37 -1.904 18.775 7.073 1.00 0.00 O ATOM 386 CB PRO A 37 -2.977 18.985 4.385 1.00 0.00 C ATOM 387 CG PRO A 37 -4.039 17.905 4.700 1.00 0.00 C ATOM 388 CD PRO A 37 -3.306 16.550 4.672 1.00 0.00 C ATOM 0 HA PRO A 37 -0.840 18.697 4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.152 19.886 4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.018 19.276 3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.493 18.080 5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.844 17.926 3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.564 15.939 5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.568 15.973 3.785 1.00 0.00 H new ATOM 396 N GLY A 38 0.110 19.071 6.248 1.00 0.00 N ATOM 397 CA GLY A 38 0.668 19.445 7.574 1.00 0.00 C ATOM 398 C GLY A 38 1.784 18.458 7.915 1.00 0.00 C ATOM 399 O GLY A 38 2.614 18.706 8.766 1.00 0.00 O ATOM 0 H GLY A 38 0.782 19.079 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.055 20.464 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.111 19.417 8.336 1.00 0.00 H new ATOM 403 N CYS A 39 1.808 17.338 7.240 1.00 0.00 N ATOM 404 CA CYS A 39 2.867 16.324 7.502 1.00 0.00 C ATOM 405 C CYS A 39 4.189 16.808 6.903 1.00 0.00 C ATOM 406 O CYS A 39 4.228 17.773 6.163 1.00 0.00 O ATOM 407 CB CYS A 39 2.473 14.999 6.848 1.00 0.00 C ATOM 408 SG CYS A 39 3.427 13.648 7.583 1.00 0.00 S ATOM 0 H CYS A 39 1.136 17.083 6.516 1.00 0.00 H new ATOM 0 HA CYS A 39 2.980 16.183 8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.406 14.819 6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.656 15.044 5.774 1.00 0.00 H new ATOM 413 N THR A 40 5.271 16.147 7.208 1.00 0.00 N ATOM 414 CA THR A 40 6.583 16.571 6.647 1.00 0.00 C ATOM 415 C THR A 40 7.582 15.418 6.764 1.00 0.00 C ATOM 416 O THR A 40 8.778 15.622 6.792 1.00 0.00 O ATOM 417 CB THR A 40 7.103 17.780 7.427 1.00 0.00 C ATOM 418 OG1 THR A 40 8.382 18.148 6.929 1.00 0.00 O ATOM 419 CG2 THR A 40 7.215 17.424 8.911 1.00 0.00 C ATOM 0 H THR A 40 5.303 15.332 7.821 1.00 0.00 H new ATOM 0 HA THR A 40 6.462 16.841 5.598 1.00 0.00 H new ATOM 0 HB THR A 40 6.412 18.614 7.307 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.998 17.391 7.019 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.586 18.286 9.465 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.234 17.142 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.906 16.590 9.034 1.00 0.00 H new ATOM 427 N LYS A 41 7.101 14.205 6.833 1.00 0.00 N ATOM 428 CA LYS A 41 8.032 13.046 6.950 1.00 0.00 C ATOM 429 C LYS A 41 7.677 11.984 5.908 1.00 0.00 C ATOM 430 O LYS A 41 6.526 11.793 5.565 1.00 0.00 O ATOM 431 CB LYS A 41 7.916 12.441 8.350 1.00 0.00 C ATOM 432 CG LYS A 41 9.237 12.626 9.098 1.00 0.00 C ATOM 433 CD LYS A 41 9.399 14.094 9.494 1.00 0.00 C ATOM 434 CE LYS A 41 8.533 14.390 10.718 1.00 0.00 C ATOM 435 NZ LYS A 41 9.230 15.374 11.595 1.00 0.00 N ATOM 0 H LYS A 41 6.109 13.968 6.814 1.00 0.00 H new ATOM 0 HA LYS A 41 9.053 13.388 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.105 12.920 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.671 11.381 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.255 11.995 9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.070 12.314 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.445 14.309 9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.109 14.740 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.567 14.786 10.406 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.338 13.470 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.641 15.575 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.142 14.980 11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.395 16.254 11.066 1.00 0.00 H new ATOM 449 N THR A 42 8.659 11.285 5.407 1.00 0.00 N ATOM 450 CA THR A 42 8.389 10.227 4.393 1.00 0.00 C ATOM 451 C THR A 42 9.114 8.944 4.800 1.00 0.00 C ATOM 452 O THR A 42 9.882 8.927 5.741 1.00 0.00 O ATOM 453 CB THR A 42 8.891 10.682 3.024 1.00 0.00 C ATOM 454 OG1 THR A 42 10.305 10.552 2.972 1.00 0.00 O ATOM 455 CG2 THR A 42 8.499 12.140 2.789 1.00 0.00 C ATOM 0 H THR A 42 9.641 11.402 5.658 1.00 0.00 H new ATOM 0 HA THR A 42 7.316 10.043 4.338 1.00 0.00 H new ATOM 0 HB THR A 42 8.441 10.062 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.628 10.842 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.859 12.461 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.414 12.235 2.825 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.944 12.766 3.563 1.00 0.00 H new ATOM 463 N PHE A 43 8.876 7.866 4.104 1.00 0.00 N ATOM 464 CA PHE A 43 9.553 6.587 4.464 1.00 0.00 C ATOM 465 C PHE A 43 9.730 5.736 3.206 1.00 0.00 C ATOM 466 O PHE A 43 9.783 6.248 2.105 1.00 0.00 O ATOM 467 CB PHE A 43 8.701 5.829 5.485 1.00 0.00 C ATOM 468 CG PHE A 43 7.951 6.818 6.350 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.873 7.539 5.817 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.334 7.019 7.681 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.181 8.459 6.614 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.642 7.939 8.479 1.00 0.00 C ATOM 473 CZ PHE A 43 6.565 8.659 7.945 1.00 0.00 C ATOM 0 H PHE A 43 8.245 7.815 3.305 1.00 0.00 H new ATOM 0 HA PHE A 43 10.530 6.799 4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.998 5.172 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.335 5.195 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.576 7.384 4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.164 6.464 8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.351 9.014 6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.939 8.093 9.506 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.031 9.368 8.560 1.00 0.00 H new ATOM 483 N LYS A 44 9.826 4.441 3.351 1.00 0.00 N ATOM 484 CA LYS A 44 10.004 3.579 2.149 1.00 0.00 C ATOM 485 C LYS A 44 9.859 2.103 2.529 1.00 0.00 C ATOM 486 O LYS A 44 10.511 1.615 3.432 1.00 0.00 O ATOM 487 CB LYS A 44 11.395 3.816 1.557 1.00 0.00 C ATOM 488 CG LYS A 44 12.430 3.855 2.684 1.00 0.00 C ATOM 489 CD LYS A 44 13.786 4.280 2.118 1.00 0.00 C ATOM 490 CE LYS A 44 14.605 3.038 1.764 1.00 0.00 C ATOM 491 NZ LYS A 44 15.879 3.044 2.539 1.00 0.00 N ATOM 0 H LYS A 44 9.789 3.947 4.243 1.00 0.00 H new ATOM 0 HA LYS A 44 9.240 3.833 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.641 3.023 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.411 4.754 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.113 4.553 3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.511 2.874 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.644 4.899 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.323 4.886 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.034 2.137 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.817 3.022 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.436 2.199 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.425 3.897 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.666 3.040 3.557 1.00 0.00 H new ATOM 505 N ARG A 45 9.017 1.387 1.833 1.00 0.00 N ATOM 506 CA ARG A 45 8.831 -0.060 2.135 1.00 0.00 C ATOM 507 C ARG A 45 8.633 -0.261 3.639 1.00 0.00 C ATOM 508 O ARG A 45 9.580 -0.425 4.382 1.00 0.00 O ATOM 509 CB ARG A 45 10.069 -0.835 1.678 1.00 0.00 C ATOM 510 CG ARG A 45 9.773 -2.336 1.699 1.00 0.00 C ATOM 511 CD ARG A 45 11.078 -3.115 1.522 1.00 0.00 C ATOM 512 NE ARG A 45 10.791 -4.577 1.536 1.00 0.00 N ATOM 513 CZ ARG A 45 11.372 -5.364 0.672 1.00 0.00 C ATOM 514 NH1 ARG A 45 11.166 -5.197 -0.605 1.00 0.00 N ATOM 515 NH2 ARG A 45 12.160 -6.319 1.088 1.00 0.00 N ATOM 0 H ARG A 45 8.448 1.744 1.065 1.00 0.00 H new ATOM 0 HA ARG A 45 7.950 -0.425 1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.354 -0.525 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.912 -0.611 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.298 -2.611 2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.074 -2.591 0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.555 -2.837 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.775 -2.863 2.321 1.00 0.00 H new ATOM 0 HE ARG A 45 10.141 -4.963 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.551 -4.451 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.620 -5.812 -1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.321 -6.449 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.615 -6.935 0.414 1.00 0.00 H new ATOM 529 N ARG A 46 7.408 -0.260 4.090 1.00 0.00 N ATOM 530 CA ARG A 46 7.148 -0.462 5.544 1.00 0.00 C ATOM 531 C ARG A 46 5.723 -0.016 5.878 1.00 0.00 C ATOM 532 O ARG A 46 5.255 1.004 5.411 1.00 0.00 O ATOM 533 CB ARG A 46 8.142 0.360 6.368 1.00 0.00 C ATOM 534 CG ARG A 46 8.321 1.739 5.730 1.00 0.00 C ATOM 535 CD ARG A 46 8.652 2.763 6.816 1.00 0.00 C ATOM 536 NE ARG A 46 10.127 2.818 7.014 1.00 0.00 N ATOM 537 CZ ARG A 46 10.733 1.870 7.677 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.877 1.969 8.971 1.00 0.00 N ATOM 539 NH2 ARG A 46 11.192 0.824 7.046 1.00 0.00 N ATOM 0 H ARG A 46 6.576 -0.128 3.515 1.00 0.00 H new ATOM 0 HA ARG A 46 7.266 -1.519 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.782 0.466 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.101 -0.155 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.120 1.708 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.411 2.030 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.276 3.746 6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.159 2.491 7.749 1.00 0.00 H new ATOM 0 HE ARG A 46 10.664 3.596 6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.516 2.786 9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.350 1.229 9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.077 0.747 6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.665 0.083 7.563 1.00 0.00 H new ATOM 553 N TYR A 47 5.033 -0.769 6.688 1.00 0.00 N ATOM 554 CA TYR A 47 3.641 -0.390 7.061 1.00 0.00 C ATOM 555 C TYR A 47 3.670 0.215 8.455 1.00 0.00 C ATOM 556 O TYR A 47 2.771 0.014 9.249 1.00 0.00 O ATOM 557 CB TYR A 47 2.725 -1.621 7.095 1.00 0.00 C ATOM 558 CG TYR A 47 3.516 -2.869 6.800 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.950 -3.128 5.499 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.816 -3.763 7.834 1.00 0.00 C ATOM 561 CE1 TYR A 47 4.686 -4.285 5.224 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.552 -4.922 7.562 1.00 0.00 C ATOM 563 CZ TYR A 47 4.987 -5.184 6.255 1.00 0.00 C ATOM 564 OH TYR A 47 5.713 -6.327 5.986 1.00 0.00 O ATOM 0 H TYR A 47 5.374 -1.633 7.109 1.00 0.00 H new ATOM 0 HA TYR A 47 3.259 0.315 6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.253 -1.704 8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.925 -1.508 6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.717 -2.435 4.704 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.480 -3.559 8.840 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.022 -4.485 4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.785 -5.614 8.358 1.00 0.00 H new ATOM 0 HH TYR A 47 5.834 -6.840 6.812 1.00 0.00 H new ATOM 574 N ASN A 48 4.698 0.944 8.774 1.00 0.00 N ATOM 575 CA ASN A 48 4.772 1.537 10.126 1.00 0.00 C ATOM 576 C ASN A 48 4.421 3.019 10.036 1.00 0.00 C ATOM 577 O ASN A 48 3.899 3.609 10.963 1.00 0.00 O ATOM 578 CB ASN A 48 6.188 1.376 10.684 1.00 0.00 C ATOM 579 CG ASN A 48 6.255 0.118 11.550 1.00 0.00 C ATOM 580 OD1 ASN A 48 6.305 0.202 12.762 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.262 -1.054 10.977 1.00 0.00 N ATOM 0 H ASN A 48 5.484 1.152 8.159 1.00 0.00 H new ATOM 0 HA ASN A 48 4.070 1.031 10.789 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.906 1.307 9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.460 2.251 11.274 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.309 -1.899 11.546 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.220 -1.125 9.960 1.00 0.00 H new ATOM 588 N ILE A 49 4.694 3.621 8.913 1.00 0.00 N ATOM 589 CA ILE A 49 4.365 5.066 8.754 1.00 0.00 C ATOM 590 C ILE A 49 2.840 5.199 8.719 1.00 0.00 C ATOM 591 O ILE A 49 2.277 6.160 9.208 1.00 0.00 O ATOM 592 CB ILE A 49 5.019 5.655 7.470 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.956 6.095 6.454 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.938 4.629 6.802 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.293 4.867 5.831 1.00 0.00 C ATOM 0 H ILE A 49 5.128 3.179 8.102 1.00 0.00 H new ATOM 0 HA ILE A 49 4.766 5.636 9.592 1.00 0.00 H new ATOM 0 HB ILE A 49 5.602 6.522 7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.206 6.715 6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.414 6.706 5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.382 5.066 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.728 4.342 7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.359 3.747 6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.540 5.186 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.047 4.264 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.819 4.273 6.613 1.00 0.00 H new ATOM 607 N ARG A 50 2.168 4.231 8.158 1.00 0.00 N ATOM 608 CA ARG A 50 0.684 4.291 8.108 1.00 0.00 C ATOM 609 C ARG A 50 0.170 4.573 9.517 1.00 0.00 C ATOM 610 O ARG A 50 -0.638 5.455 9.730 1.00 0.00 O ATOM 611 CB ARG A 50 0.132 2.951 7.616 1.00 0.00 C ATOM 612 CG ARG A 50 -1.165 3.185 6.841 1.00 0.00 C ATOM 613 CD ARG A 50 -2.284 2.340 7.451 1.00 0.00 C ATOM 614 NE ARG A 50 -2.756 1.342 6.450 1.00 0.00 N ATOM 615 CZ ARG A 50 -2.792 0.074 6.759 1.00 0.00 C ATOM 616 NH1 ARG A 50 -3.330 -0.309 7.884 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.290 -0.811 5.940 1.00 0.00 N ATOM 0 H ARG A 50 2.584 3.403 7.733 1.00 0.00 H new ATOM 0 HA ARG A 50 0.360 5.077 7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.865 2.456 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.052 2.289 8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.434 4.241 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.027 2.922 5.792 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.924 1.831 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.111 2.980 7.760 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.051 1.650 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.723 0.382 8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.358 -1.300 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.870 -0.511 5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.318 -1.802 6.180 1.00 0.00 H new ATOM 631 N SER A 51 0.650 3.841 10.485 1.00 0.00 N ATOM 632 CA SER A 51 0.204 4.083 11.882 1.00 0.00 C ATOM 633 C SER A 51 0.582 5.511 12.262 1.00 0.00 C ATOM 634 O SER A 51 -0.197 6.237 12.846 1.00 0.00 O ATOM 635 CB SER A 51 0.896 3.096 12.822 1.00 0.00 C ATOM 636 OG SER A 51 0.055 2.849 13.943 1.00 0.00 O ATOM 0 H SER A 51 1.329 3.089 10.368 1.00 0.00 H new ATOM 0 HA SER A 51 -0.874 3.945 11.964 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.107 2.164 12.298 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.853 3.500 13.152 1.00 0.00 H new ATOM 0 HG SER A 51 0.494 2.215 14.548 1.00 0.00 H new ATOM 642 N HIS A 52 1.769 5.927 11.914 1.00 0.00 N ATOM 643 CA HIS A 52 2.192 7.319 12.234 1.00 0.00 C ATOM 644 C HIS A 52 1.051 8.255 11.852 1.00 0.00 C ATOM 645 O HIS A 52 0.694 9.157 12.583 1.00 0.00 O ATOM 646 CB HIS A 52 3.481 7.657 11.441 1.00 0.00 C ATOM 647 CG HIS A 52 3.361 8.992 10.732 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.145 10.084 11.072 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.522 9.432 9.733 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.759 11.118 10.298 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.771 10.775 9.466 1.00 0.00 N ATOM 0 H HIS A 52 2.463 5.364 11.423 1.00 0.00 H new ATOM 0 HA HIS A 52 2.411 7.430 13.296 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.333 7.680 12.121 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.677 6.872 10.711 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.880 10.102 11.779 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.782 8.826 9.232 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.196 12.105 10.345 1.00 0.00 H new ATOM 659 N ILE A 53 0.472 8.035 10.715 1.00 0.00 N ATOM 660 CA ILE A 53 -0.648 8.894 10.281 1.00 0.00 C ATOM 661 C ILE A 53 -1.797 8.718 11.265 1.00 0.00 C ATOM 662 O ILE A 53 -2.342 9.666 11.785 1.00 0.00 O ATOM 663 CB ILE A 53 -1.105 8.457 8.883 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.071 8.893 7.835 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.456 9.095 8.573 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.705 8.888 6.438 1.00 0.00 C ATOM 0 H ILE A 53 0.728 7.293 10.064 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.336 9.938 10.250 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.199 7.371 8.855 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.300 9.890 8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.787 8.220 7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.785 8.787 7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.189 8.774 9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.361 10.180 8.603 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.036 9.199 5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.054 7.883 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.548 9.579 6.418 1.00 0.00 H new ATOM 678 N GLN A 54 -2.162 7.497 11.518 1.00 0.00 N ATOM 679 CA GLN A 54 -3.285 7.219 12.455 1.00 0.00 C ATOM 680 C GLN A 54 -3.189 8.112 13.681 1.00 0.00 C ATOM 681 O GLN A 54 -4.191 8.550 14.211 1.00 0.00 O ATOM 682 CB GLN A 54 -3.250 5.757 12.909 1.00 0.00 C ATOM 683 CG GLN A 54 -3.171 4.815 11.704 1.00 0.00 C ATOM 684 CD GLN A 54 -4.573 4.542 11.168 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.555 4.923 11.773 1.00 0.00 O ATOM 686 NE2 GLN A 54 -4.705 3.891 10.047 1.00 0.00 N ATOM 0 H GLN A 54 -1.727 6.669 11.112 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.218 7.419 11.929 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.391 5.594 13.560 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.141 5.532 13.494 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.554 5.259 10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.694 3.879 11.993 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.878 3.573 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.635 3.700 9.675 1.00 0.00 H new ATOM 695 N THR A 55 -2.013 8.378 14.159 1.00 0.00 N ATOM 696 CA THR A 55 -1.922 9.232 15.371 1.00 0.00 C ATOM 697 C THR A 55 -2.076 10.699 14.986 1.00 0.00 C ATOM 698 O THR A 55 -2.660 11.477 15.715 1.00 0.00 O ATOM 699 CB THR A 55 -0.585 8.995 16.092 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.722 9.351 17.460 1.00 0.00 O ATOM 701 CG2 THR A 55 0.523 9.838 15.456 1.00 0.00 C ATOM 0 H THR A 55 -1.127 8.051 13.775 1.00 0.00 H new ATOM 0 HA THR A 55 -2.728 8.966 16.054 1.00 0.00 H new ATOM 0 HB THR A 55 -0.318 7.942 16.005 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.128 9.200 17.924 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.462 9.658 15.979 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.633 9.563 14.407 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.264 10.894 15.529 1.00 0.00 H new ATOM 709 N HIS A 56 -1.570 11.094 13.857 1.00 0.00 N ATOM 710 CA HIS A 56 -1.714 12.506 13.465 1.00 0.00 C ATOM 711 C HIS A 56 -2.802 12.634 12.401 1.00 0.00 C ATOM 712 O HIS A 56 -2.905 13.624 11.706 1.00 0.00 O ATOM 713 CB HIS A 56 -0.349 13.039 13.025 1.00 0.00 C ATOM 714 CG HIS A 56 -0.173 13.124 11.533 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.650 14.186 10.783 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.608 12.392 10.685 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.119 14.073 9.547 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.659 12.994 9.437 1.00 0.00 N ATOM 0 H HIS A 56 -1.067 10.501 13.197 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.038 13.122 14.304 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.203 14.030 13.454 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.429 12.396 13.436 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.284 14.917 11.105 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.114 11.475 10.949 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.302 14.772 8.744 1.00 0.00 H new ATOM 726 N LEU A 57 -3.658 11.640 12.323 1.00 0.00 N ATOM 727 CA LEU A 57 -4.795 11.694 11.368 1.00 0.00 C ATOM 728 C LEU A 57 -6.092 11.389 12.127 1.00 0.00 C ATOM 729 O LEU A 57 -7.170 11.726 11.680 1.00 0.00 O ATOM 730 CB LEU A 57 -4.618 10.676 10.240 1.00 0.00 C ATOM 731 CG LEU A 57 -4.307 11.421 8.946 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.513 12.274 8.549 1.00 0.00 C ATOM 733 CD2 LEU A 57 -3.092 12.323 9.173 1.00 0.00 C ATOM 0 H LEU A 57 -3.611 10.791 12.887 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.834 12.689 10.926 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.811 9.984 10.480 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.524 10.081 10.124 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.093 10.709 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.293 12.807 7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.380 11.631 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.727 12.993 9.340 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.861 12.861 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.313 13.038 9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.236 11.714 9.462 1.00 0.00 H new ATOM 745 N GLU A 58 -6.005 10.755 13.275 1.00 0.00 N ATOM 746 CA GLU A 58 -7.246 10.446 14.041 1.00 0.00 C ATOM 747 C GLU A 58 -8.152 11.679 14.050 1.00 0.00 C ATOM 748 O GLU A 58 -9.188 11.703 13.415 1.00 0.00 O ATOM 749 CB GLU A 58 -6.878 10.070 15.477 1.00 0.00 C ATOM 750 CG GLU A 58 -6.426 8.608 15.522 1.00 0.00 C ATOM 751 CD GLU A 58 -7.485 7.766 16.236 1.00 0.00 C ATOM 752 OE1 GLU A 58 -8.141 8.299 17.116 1.00 0.00 O ATOM 753 OE2 GLU A 58 -7.622 6.605 15.890 1.00 0.00 O ATOM 0 H GLU A 58 -5.135 10.443 13.707 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.769 9.612 13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.082 10.719 15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.735 10.217 16.134 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.270 8.234 14.510 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.471 8.528 16.042 1.00 0.00 H new ATOM 760 N ASP A 59 -7.769 12.703 14.763 1.00 0.00 N ATOM 761 CA ASP A 59 -8.604 13.937 14.810 1.00 0.00 C ATOM 762 C ASP A 59 -10.079 13.553 14.951 1.00 0.00 C ATOM 763 O ASP A 59 -10.859 13.702 14.030 1.00 0.00 O ATOM 764 CB ASP A 59 -8.407 14.735 13.520 1.00 0.00 C ATOM 765 CG ASP A 59 -7.522 15.950 13.802 1.00 0.00 C ATOM 766 OD1 ASP A 59 -6.793 15.914 14.780 1.00 0.00 O ATOM 767 OD2 ASP A 59 -7.588 16.896 13.034 1.00 0.00 O ATOM 0 H ASP A 59 -6.913 12.738 15.316 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.304 14.545 15.664 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.947 14.106 12.757 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.372 15.057 13.128 1.00 0.00 H new ATOM 772 N ARG A 60 -10.469 13.060 16.094 1.00 0.00 N ATOM 773 CA ARG A 60 -11.892 12.668 16.289 1.00 0.00 C ATOM 774 C ARG A 60 -12.752 13.925 16.440 1.00 0.00 C ATOM 775 O ARG A 60 -12.645 14.796 15.592 1.00 0.00 O ATOM 776 CB ARG A 60 -12.017 11.810 17.550 1.00 0.00 C ATOM 777 CG ARG A 60 -12.811 10.542 17.229 1.00 0.00 C ATOM 778 CD ARG A 60 -14.306 10.861 17.234 1.00 0.00 C ATOM 779 NE ARG A 60 -15.059 9.698 17.787 1.00 0.00 N ATOM 780 CZ ARG A 60 -16.306 9.838 18.142 1.00 0.00 C ATOM 781 NH1 ARG A 60 -16.639 10.753 19.013 1.00 0.00 N ATOM 782 NH2 ARG A 60 -17.222 9.064 17.628 1.00 0.00 N ATOM 783 OXT ARG A 60 -13.504 13.994 17.398 1.00 0.00 O ATOM 0 H ARG A 60 -9.863 12.912 16.901 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.233 12.097 15.426 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.027 11.547 17.923 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.515 12.374 18.338 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.515 10.152 16.255 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.591 9.767 17.963 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.497 11.751 17.834 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.646 11.080 16.222 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.599 8.793 17.887 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.924 11.358 19.416 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.614 10.862 19.290 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.963 8.349 16.948 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.197 9.174 17.906 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.887 12.047 8.174 1.00 0.00 ZN