USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 434 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 32 HIS HD1 : A 32 HIS ND1 : A 63 ZNZN :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc=-0.00989 K(o=0.34,f=-4!) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 154:sc= 0.348 (180deg=0) USER MOD Set 2.1: A 23 CYS SG : rot 180:sc= 0.224 USER MOD Set 2.2: A 30 SER OG : rot -89:sc= 0.216 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.105 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.133 USER MOD Single : A 7 HIS : no HD1:sc=-0.00937 X(o=-0.0094,f=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -1.8 F(o=-5.1!,f=-1.8) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 68:sc= 0.766 USER MOD Single : A 29 SER OG : rot 120:sc= 2.32 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 34 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-3.2!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.296 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.652 13.004 -7.111 1.00 0.00 N ATOM 2 CA GLY A 1 -17.024 13.413 -5.737 1.00 0.00 C ATOM 3 C GLY A 1 -15.946 13.060 -4.738 1.00 0.00 C ATOM 4 O GLY A 1 -14.855 12.652 -5.133 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.868 13.776 -7.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.634 12.792 -7.147 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.192 12.156 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.204 14.488 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.957 12.927 -5.453 1.00 0.00 H new ATOM 10 N PRO A 2 -16.214 13.229 -3.433 1.00 0.00 N ATOM 11 CA PRO A 2 -15.243 12.928 -2.374 1.00 0.00 C ATOM 12 C PRO A 2 -14.880 11.447 -2.339 1.00 0.00 C ATOM 13 O PRO A 2 -15.628 10.622 -1.813 1.00 0.00 O ATOM 14 CB PRO A 2 -15.969 13.331 -1.084 1.00 0.00 C ATOM 15 CG PRO A 2 -17.069 14.236 -1.523 1.00 0.00 C ATOM 16 CD PRO A 2 -17.473 13.752 -2.884 1.00 0.00 C ATOM 0 HA PRO A 2 -14.301 13.456 -2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -16.361 12.458 -0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.294 13.837 -0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.908 14.198 -0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.733 15.272 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.240 12.980 -2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.877 14.558 -3.496 1.00 0.00 H new ATOM 24 N LEU A 3 -13.752 11.114 -2.941 1.00 0.00 N ATOM 25 CA LEU A 3 -13.297 9.736 -3.016 1.00 0.00 C ATOM 26 C LEU A 3 -12.431 9.402 -1.809 1.00 0.00 C ATOM 27 O LEU A 3 -11.805 10.286 -1.220 1.00 0.00 O ATOM 28 CB LEU A 3 -12.509 9.513 -4.310 1.00 0.00 C ATOM 29 CG LEU A 3 -13.248 8.734 -5.405 1.00 0.00 C ATOM 30 CD1 LEU A 3 -14.665 9.256 -5.578 1.00 0.00 C ATOM 31 CD2 LEU A 3 -12.488 8.818 -6.720 1.00 0.00 C ATOM 0 H LEU A 3 -13.129 11.786 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.166 9.078 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.220 10.484 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.589 8.981 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.305 7.689 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.169 8.688 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.210 9.146 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.633 10.309 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.025 8.260 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.401 9.861 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.492 8.393 -6.593 1.00 0.00 H new ATOM 43 N GLY A 4 -12.426 8.137 -1.426 1.00 0.00 N ATOM 44 CA GLY A 4 -11.661 7.718 -0.271 1.00 0.00 C ATOM 45 C GLY A 4 -12.522 7.623 0.969 1.00 0.00 C ATOM 46 O GLY A 4 -12.088 7.973 2.068 1.00 0.00 O ATOM 0 H GLY A 4 -12.939 7.390 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.203 6.749 -0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.849 8.425 -0.097 1.00 0.00 H new ATOM 50 N SER A 5 -13.768 7.218 0.774 1.00 0.00 N ATOM 51 CA SER A 5 -14.733 7.138 1.856 1.00 0.00 C ATOM 52 C SER A 5 -14.359 6.044 2.855 1.00 0.00 C ATOM 53 O SER A 5 -13.931 6.333 3.975 1.00 0.00 O ATOM 54 CB SER A 5 -16.122 6.883 1.274 1.00 0.00 C ATOM 55 OG SER A 5 -16.078 6.876 -0.148 1.00 0.00 O ATOM 0 H SER A 5 -14.136 6.937 -0.135 1.00 0.00 H new ATOM 0 HA SER A 5 -14.733 8.085 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.504 5.928 1.636 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.813 7.653 1.618 1.00 0.00 H new ATOM 0 HG SER A 5 -16.976 6.710 -0.502 1.00 0.00 H new ATOM 61 N ASP A 6 -14.509 4.790 2.446 1.00 0.00 N ATOM 62 CA ASP A 6 -14.201 3.665 3.324 1.00 0.00 C ATOM 63 C ASP A 6 -13.265 2.674 2.643 1.00 0.00 C ATOM 64 O ASP A 6 -12.334 2.161 3.264 1.00 0.00 O ATOM 65 CB ASP A 6 -15.484 2.953 3.756 1.00 0.00 C ATOM 66 CG ASP A 6 -15.209 1.663 4.504 1.00 0.00 C ATOM 67 OD1 ASP A 6 -14.942 1.717 5.724 1.00 0.00 O ATOM 68 OD2 ASP A 6 -15.278 0.579 3.884 1.00 0.00 O ATOM 0 H ASP A 6 -14.840 4.526 1.518 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.699 4.063 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.069 3.619 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.090 2.737 2.876 1.00 0.00 H new ATOM 73 N HIS A 7 -13.500 2.416 1.366 1.00 0.00 N ATOM 74 CA HIS A 7 -12.665 1.490 0.618 1.00 0.00 C ATOM 75 C HIS A 7 -11.906 2.213 -0.481 1.00 0.00 C ATOM 76 O HIS A 7 -12.157 1.996 -1.667 1.00 0.00 O ATOM 77 CB HIS A 7 -13.499 0.353 0.024 1.00 0.00 C ATOM 78 CG HIS A 7 -12.755 -0.943 -0.043 1.00 0.00 C ATOM 79 ND1 HIS A 7 -13.342 -2.129 0.321 1.00 0.00 N ATOM 80 CD2 HIS A 7 -11.474 -1.176 -0.404 1.00 0.00 C ATOM 81 CE1 HIS A 7 -12.407 -3.053 0.177 1.00 0.00 C ATOM 82 NE2 HIS A 7 -11.254 -2.524 -0.258 1.00 0.00 N ATOM 0 H HIS A 7 -14.259 2.833 0.828 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.944 1.060 1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -14.399 0.218 0.624 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.823 0.632 -0.979 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.759 -0.441 -0.743 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.554 -4.103 0.384 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.385 -3.024 -0.444 1.00 0.00 H new ATOM 90 N HIS A 8 -10.964 3.050 -0.075 1.00 0.00 N ATOM 91 CA HIS A 8 -10.124 3.788 -1.006 1.00 0.00 C ATOM 92 C HIS A 8 -9.096 4.603 -0.236 1.00 0.00 C ATOM 93 O HIS A 8 -9.434 5.584 0.432 1.00 0.00 O ATOM 94 CB HIS A 8 -10.972 4.706 -1.891 1.00 0.00 C ATOM 95 CG HIS A 8 -10.236 5.257 -3.077 1.00 0.00 C ATOM 96 ND1 HIS A 8 -9.392 4.632 -3.933 1.00 0.00 N flip ATOM 97 CD2 HIS A 8 -10.362 6.574 -3.453 1.00 0.00 C flip ATOM 98 CE1 HIS A 8 -8.995 5.569 -4.850 1.00 0.00 C flip ATOM 99 NE2 HIS A 8 -9.599 6.719 -4.525 1.00 0.00 N flip ATOM 0 H HIS A 8 -10.760 3.237 0.907 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.608 3.076 -1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -11.843 4.153 -2.241 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.342 5.535 -1.288 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.960 7.334 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.321 5.410 -5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.486 7.594 -5.037 1.00 0.00 H new ATOM 107 N MET A 9 -7.849 4.175 -0.302 1.00 0.00 N ATOM 108 CA MET A 9 -6.773 4.839 0.410 1.00 0.00 C ATOM 109 C MET A 9 -5.627 5.158 -0.538 1.00 0.00 C ATOM 110 O MET A 9 -4.729 4.341 -0.738 1.00 0.00 O ATOM 111 CB MET A 9 -6.275 3.959 1.558 1.00 0.00 C ATOM 112 CG MET A 9 -6.438 4.595 2.927 1.00 0.00 C ATOM 113 SD MET A 9 -5.231 3.989 4.121 1.00 0.00 S ATOM 114 CE MET A 9 -6.040 4.415 5.661 1.00 0.00 C ATOM 0 H MET A 9 -7.555 3.364 -0.846 1.00 0.00 H new ATOM 0 HA MET A 9 -7.156 5.773 0.822 1.00 0.00 H new ATOM 0 HB2 MET A 9 -6.815 3.013 1.540 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.222 3.728 1.397 1.00 0.00 H new ATOM 0 HG2 MET A 9 -6.341 5.677 2.835 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.443 4.396 3.299 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.416 4.103 6.498 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.194 5.493 5.705 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.003 3.908 5.718 1.00 0.00 H new ATOM 124 N GLU A 10 -5.658 6.352 -1.114 1.00 0.00 N ATOM 125 CA GLU A 10 -4.609 6.792 -2.027 1.00 0.00 C ATOM 126 C GLU A 10 -3.413 7.336 -1.247 1.00 0.00 C ATOM 127 O GLU A 10 -2.808 8.342 -1.623 1.00 0.00 O ATOM 128 CB GLU A 10 -5.149 7.860 -2.976 1.00 0.00 C ATOM 129 CG GLU A 10 -6.097 7.312 -4.028 1.00 0.00 C ATOM 130 CD GLU A 10 -5.710 7.723 -5.432 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.680 8.940 -5.715 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.433 6.833 -6.262 1.00 0.00 O ATOM 0 H GLU A 10 -6.400 7.036 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.279 5.934 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.666 8.623 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.312 8.350 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.115 6.224 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.108 7.660 -3.817 1.00 0.00 H new ATOM 139 N PHE A 11 -3.082 6.650 -0.163 1.00 0.00 N ATOM 140 CA PHE A 11 -1.964 7.008 0.692 1.00 0.00 C ATOM 141 C PHE A 11 -1.660 5.839 1.620 1.00 0.00 C ATOM 142 O PHE A 11 -2.420 4.870 1.661 1.00 0.00 O ATOM 143 CB PHE A 11 -2.263 8.281 1.500 1.00 0.00 C ATOM 144 CG PHE A 11 -3.516 8.207 2.331 1.00 0.00 C ATOM 145 CD1 PHE A 11 -4.754 8.479 1.773 1.00 0.00 C ATOM 146 CD2 PHE A 11 -3.451 7.868 3.671 1.00 0.00 C ATOM 147 CE1 PHE A 11 -5.905 8.411 2.534 1.00 0.00 C ATOM 148 CE2 PHE A 11 -4.596 7.799 4.438 1.00 0.00 C ATOM 149 CZ PHE A 11 -5.825 8.071 3.870 1.00 0.00 C ATOM 0 H PHE A 11 -3.588 5.821 0.149 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.094 7.219 0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.418 8.488 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.346 9.123 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.821 8.748 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.493 7.655 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.864 8.623 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.531 7.532 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.722 8.018 4.469 1.00 0.00 H new ATOM 159 N CYS A 12 -0.517 5.891 2.289 1.00 0.00 N ATOM 160 CA CYS A 12 -0.091 4.797 3.151 1.00 0.00 C ATOM 161 C CYS A 12 -1.059 4.581 4.306 1.00 0.00 C ATOM 162 O CYS A 12 -1.509 5.530 4.941 1.00 0.00 O ATOM 163 CB CYS A 12 1.296 5.069 3.713 1.00 0.00 C ATOM 164 SG CYS A 12 2.624 4.877 2.519 1.00 0.00 S ATOM 0 H CYS A 12 0.131 6.678 2.252 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.072 3.896 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.323 6.084 4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.475 4.395 4.551 1.00 0.00 H new ATOM 170 N ARG A 13 -1.331 3.324 4.602 1.00 0.00 N ATOM 171 CA ARG A 13 -2.212 2.982 5.714 1.00 0.00 C ATOM 172 C ARG A 13 -1.565 3.333 7.057 1.00 0.00 C ATOM 173 O ARG A 13 -2.251 3.679 8.018 1.00 0.00 O ATOM 174 CB ARG A 13 -2.560 1.496 5.675 1.00 0.00 C ATOM 175 CG ARG A 13 -3.334 1.091 4.433 1.00 0.00 C ATOM 176 CD ARG A 13 -4.583 0.301 4.785 1.00 0.00 C ATOM 177 NE ARG A 13 -5.484 0.173 3.641 1.00 0.00 N ATOM 178 CZ ARG A 13 -6.783 0.463 3.679 1.00 0.00 C ATOM 179 NH1 ARG A 13 -7.350 0.846 4.820 1.00 0.00 N ATOM 180 NH2 ARG A 13 -7.517 0.352 2.577 1.00 0.00 N ATOM 0 H ARG A 13 -0.959 2.522 4.093 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.127 3.566 5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.640 0.913 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.147 1.244 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.613 1.982 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.695 0.492 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.299 -0.691 5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.105 0.793 5.606 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.093 -0.159 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.789 0.918 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.345 1.067 4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.085 0.045 1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.512 0.573 2.603 1.00 0.00 H new ATOM 194 N VAL A 14 -0.239 3.241 7.115 1.00 0.00 N ATOM 195 CA VAL A 14 0.501 3.529 8.344 1.00 0.00 C ATOM 196 C VAL A 14 1.087 4.941 8.309 1.00 0.00 C ATOM 197 O VAL A 14 0.659 5.829 9.044 1.00 0.00 O ATOM 198 CB VAL A 14 1.652 2.520 8.561 1.00 0.00 C ATOM 199 CG1 VAL A 14 1.934 2.331 10.045 1.00 0.00 C ATOM 200 CG2 VAL A 14 1.343 1.185 7.893 1.00 0.00 C ATOM 0 H VAL A 14 0.347 2.969 6.326 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.208 3.445 9.168 1.00 0.00 H new ATOM 0 HB VAL A 14 2.549 2.929 8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.747 1.617 10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.217 3.287 10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.039 1.954 10.540 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.169 0.494 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.429 0.769 8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.209 1.336 6.822 1.00 0.00 H new ATOM 210 N CYS A 15 2.053 5.129 7.422 1.00 0.00 N ATOM 211 CA CYS A 15 2.753 6.395 7.242 1.00 0.00 C ATOM 212 C CYS A 15 1.969 7.444 6.446 1.00 0.00 C ATOM 213 O CYS A 15 2.431 8.576 6.319 1.00 0.00 O ATOM 214 CB CYS A 15 4.120 6.064 6.640 1.00 0.00 C ATOM 215 SG CYS A 15 4.182 4.349 6.016 1.00 0.00 S ATOM 0 H CYS A 15 2.379 4.393 6.795 1.00 0.00 H new ATOM 0 HA CYS A 15 2.873 6.885 8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.337 6.756 5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.894 6.206 7.394 1.00 0.00 H new ATOM 220 N LYS A 16 0.699 7.131 6.160 1.00 0.00 N ATOM 221 CA LYS A 16 -0.278 8.095 5.616 1.00 0.00 C ATOM 222 C LYS A 16 0.326 9.066 4.598 1.00 0.00 C ATOM 223 O LYS A 16 0.015 10.257 4.610 1.00 0.00 O ATOM 224 CB LYS A 16 -0.911 8.893 6.760 1.00 0.00 C ATOM 225 CG LYS A 16 -1.748 8.053 7.713 1.00 0.00 C ATOM 226 CD LYS A 16 -3.131 8.655 7.911 1.00 0.00 C ATOM 227 CE LYS A 16 -3.684 8.356 9.297 1.00 0.00 C ATOM 228 NZ LYS A 16 -4.944 7.566 9.229 1.00 0.00 N ATOM 0 H LYS A 16 0.314 6.197 6.299 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.030 7.508 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.121 9.386 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.538 9.678 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.843 7.040 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.241 7.977 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.082 9.734 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.811 8.261 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.941 7.806 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.869 9.292 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.291 7.382 10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.661 8.101 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.762 6.662 8.748 1.00 0.00 H new ATOM 242 N ASP A 17 1.258 8.584 3.798 1.00 0.00 N ATOM 243 CA ASP A 17 1.994 9.451 2.892 1.00 0.00 C ATOM 244 C ASP A 17 1.678 9.141 1.440 1.00 0.00 C ATOM 245 O ASP A 17 1.030 8.138 1.139 1.00 0.00 O ATOM 246 CB ASP A 17 3.495 9.297 3.129 1.00 0.00 C ATOM 247 CG ASP A 17 3.983 7.903 2.818 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.844 7.012 3.683 1.00 0.00 O ATOM 249 OD2 ASP A 17 4.510 7.684 1.710 1.00 0.00 O ATOM 0 H ASP A 17 1.524 7.600 3.755 1.00 0.00 H new ATOM 0 HA ASP A 17 1.688 10.477 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.034 10.015 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.723 9.536 4.168 1.00 0.00 H new ATOM 254 N GLY A 18 2.198 9.978 0.550 1.00 0.00 N ATOM 255 CA GLY A 18 2.033 9.771 -0.874 1.00 0.00 C ATOM 256 C GLY A 18 3.335 9.983 -1.625 1.00 0.00 C ATOM 257 O GLY A 18 4.409 9.976 -1.020 1.00 0.00 O ATOM 0 H GLY A 18 2.738 10.808 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.668 8.760 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.276 10.456 -1.256 1.00 0.00 H new ATOM 261 N GLY A 19 3.243 10.199 -2.930 1.00 0.00 N ATOM 262 CA GLY A 19 4.431 10.420 -3.733 1.00 0.00 C ATOM 263 C GLY A 19 4.914 9.144 -4.387 1.00 0.00 C ATOM 264 O GLY A 19 4.250 8.609 -5.277 1.00 0.00 O ATOM 0 H GLY A 19 2.365 10.225 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.217 11.163 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.223 10.829 -3.105 1.00 0.00 H new ATOM 268 N GLU A 20 6.000 8.589 -3.865 1.00 0.00 N ATOM 269 CA GLU A 20 6.499 7.303 -4.328 1.00 0.00 C ATOM 270 C GLU A 20 5.667 6.184 -3.712 1.00 0.00 C ATOM 271 O GLU A 20 6.078 5.541 -2.743 1.00 0.00 O ATOM 272 CB GLU A 20 7.977 7.133 -3.962 1.00 0.00 C ATOM 273 CG GLU A 20 8.802 6.467 -5.053 1.00 0.00 C ATOM 274 CD GLU A 20 9.028 7.374 -6.245 1.00 0.00 C ATOM 275 OE1 GLU A 20 9.793 8.352 -6.116 1.00 0.00 O ATOM 276 OE2 GLU A 20 8.434 7.119 -7.315 1.00 0.00 O ATOM 0 H GLU A 20 6.553 9.011 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 20 6.413 7.259 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.403 8.112 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.051 6.541 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.766 6.165 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.297 5.559 -5.382 1.00 0.00 H new ATOM 283 N LEU A 21 4.435 6.076 -4.175 1.00 0.00 N ATOM 284 CA LEU A 21 3.473 5.168 -3.588 1.00 0.00 C ATOM 285 C LEU A 21 3.175 4.007 -4.521 1.00 0.00 C ATOM 286 O LEU A 21 3.066 4.182 -5.736 1.00 0.00 O ATOM 287 CB LEU A 21 2.184 5.923 -3.272 1.00 0.00 C ATOM 288 CG LEU A 21 1.672 5.779 -1.841 1.00 0.00 C ATOM 289 CD1 LEU A 21 2.769 6.094 -0.838 1.00 0.00 C ATOM 290 CD2 LEU A 21 0.481 6.688 -1.620 1.00 0.00 C ATOM 0 H LEU A 21 4.077 6.613 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 21 3.898 4.764 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.344 6.981 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.406 5.580 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 21 1.361 4.745 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.379 5.984 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.602 5.406 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.113 7.118 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.124 6.577 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.777 7.723 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.316 6.419 -2.313 1.00 0.00 H new ATOM 302 N LEU A 22 3.000 2.834 -3.937 1.00 0.00 N ATOM 303 CA LEU A 22 2.639 1.650 -4.690 1.00 0.00 C ATOM 304 C LEU A 22 1.230 1.210 -4.323 1.00 0.00 C ATOM 305 O LEU A 22 0.850 1.239 -3.152 1.00 0.00 O ATOM 306 CB LEU A 22 3.630 0.520 -4.421 1.00 0.00 C ATOM 307 CG LEU A 22 4.490 0.124 -5.622 1.00 0.00 C ATOM 308 CD1 LEU A 22 5.963 0.208 -5.269 1.00 0.00 C ATOM 309 CD2 LEU A 22 4.130 -1.275 -6.094 1.00 0.00 C ATOM 0 H LEU A 22 3.104 2.678 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 22 2.671 1.891 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.287 0.818 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.077 -0.356 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 22 4.292 0.822 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.561 -0.077 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.210 1.229 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.178 -0.468 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.751 -1.542 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.300 -1.987 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.080 -1.302 -6.386 1.00 0.00 H new ATOM 321 N CYS A 23 0.448 0.859 -5.330 1.00 0.00 N ATOM 322 CA CYS A 23 -0.930 0.443 -5.126 1.00 0.00 C ATOM 323 C CYS A 23 -1.151 -0.938 -5.731 1.00 0.00 C ATOM 324 O CYS A 23 -0.576 -1.263 -6.777 1.00 0.00 O ATOM 325 CB CYS A 23 -1.885 1.456 -5.757 1.00 0.00 C ATOM 326 SG CYS A 23 -1.138 3.071 -6.087 1.00 0.00 S ATOM 0 H CYS A 23 0.747 0.854 -6.305 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.131 0.395 -4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.266 1.046 -6.692 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.741 1.592 -5.096 1.00 0.00 H new ATOM 0 HG CYS A 23 -2.024 3.858 -6.622 1.00 0.00 H new ATOM 332 N CYS A 24 -1.929 -1.762 -5.048 1.00 0.00 N ATOM 333 CA CYS A 24 -2.180 -3.126 -5.478 1.00 0.00 C ATOM 334 C CYS A 24 -3.014 -3.171 -6.752 1.00 0.00 C ATOM 335 O CYS A 24 -3.643 -2.187 -7.145 1.00 0.00 O ATOM 336 CB CYS A 24 -2.905 -3.858 -4.358 1.00 0.00 C ATOM 337 SG CYS A 24 -3.400 -2.739 -3.017 1.00 0.00 S ATOM 0 H CYS A 24 -2.403 -1.504 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.227 -3.606 -5.697 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.789 -4.352 -4.762 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.258 -4.639 -3.958 1.00 0.00 H new ATOM 342 N ASP A 25 -3.090 -4.353 -7.334 1.00 0.00 N ATOM 343 CA ASP A 25 -3.930 -4.582 -8.498 1.00 0.00 C ATOM 344 C ASP A 25 -5.312 -5.027 -8.052 1.00 0.00 C ATOM 345 O ASP A 25 -6.203 -5.250 -8.872 1.00 0.00 O ATOM 346 CB ASP A 25 -3.317 -5.662 -9.392 1.00 0.00 C ATOM 347 CG ASP A 25 -3.842 -5.619 -10.817 1.00 0.00 C ATOM 348 OD1 ASP A 25 -3.769 -4.549 -11.458 1.00 0.00 O ATOM 349 OD2 ASP A 25 -4.328 -6.662 -11.306 1.00 0.00 O ATOM 0 H ASP A 25 -2.577 -5.176 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.006 -3.652 -9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.234 -5.543 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.525 -6.642 -8.963 1.00 0.00 H new ATOM 354 N THR A 26 -5.423 -5.327 -6.769 1.00 0.00 N ATOM 355 CA THR A 26 -6.609 -5.970 -6.248 1.00 0.00 C ATOM 356 C THR A 26 -7.481 -5.028 -5.417 1.00 0.00 C ATOM 357 O THR A 26 -8.710 -5.100 -5.487 1.00 0.00 O ATOM 358 CB THR A 26 -6.201 -7.188 -5.413 1.00 0.00 C ATOM 359 OG1 THR A 26 -4.886 -6.978 -4.880 1.00 0.00 O ATOM 360 CG2 THR A 26 -6.194 -8.442 -6.271 1.00 0.00 C ATOM 0 H THR A 26 -4.704 -5.134 -6.072 1.00 0.00 H new ATOM 0 HA THR A 26 -7.213 -6.281 -7.100 1.00 0.00 H new ATOM 0 HB THR A 26 -6.920 -7.315 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.913 -6.258 -4.215 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.902 -9.298 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.191 -8.610 -6.678 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.484 -8.319 -7.089 1.00 0.00 H new ATOM 368 N CYS A 27 -6.867 -4.133 -4.650 1.00 0.00 N ATOM 369 CA CYS A 27 -7.637 -3.196 -3.847 1.00 0.00 C ATOM 370 C CYS A 27 -7.035 -1.794 -3.912 1.00 0.00 C ATOM 371 O CYS A 27 -5.901 -1.614 -4.357 1.00 0.00 O ATOM 372 CB CYS A 27 -7.760 -3.705 -2.400 1.00 0.00 C ATOM 373 SG CYS A 27 -6.611 -2.973 -1.187 1.00 0.00 S ATOM 0 H CYS A 27 -5.855 -4.038 -4.569 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.644 -3.128 -4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.779 -3.524 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.612 -4.785 -2.403 1.00 0.00 H new ATOM 378 N PRO A 28 -7.850 -0.771 -3.636 1.00 0.00 N ATOM 379 CA PRO A 28 -7.438 0.625 -3.777 1.00 0.00 C ATOM 380 C PRO A 28 -6.712 1.158 -2.544 1.00 0.00 C ATOM 381 O PRO A 28 -7.122 2.157 -1.950 1.00 0.00 O ATOM 382 CB PRO A 28 -8.764 1.349 -3.981 1.00 0.00 C ATOM 383 CG PRO A 28 -9.761 0.532 -3.235 1.00 0.00 C ATOM 384 CD PRO A 28 -9.282 -0.892 -3.310 1.00 0.00 C ATOM 0 HA PRO A 28 -6.725 0.763 -4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.721 2.368 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.019 1.417 -5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.837 0.862 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.753 0.632 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.433 -1.414 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.819 -1.454 -4.074 1.00 0.00 H new ATOM 392 N SER A 29 -5.599 0.527 -2.202 1.00 0.00 N ATOM 393 CA SER A 29 -4.764 0.986 -1.103 1.00 0.00 C ATOM 394 C SER A 29 -3.368 1.329 -1.623 1.00 0.00 C ATOM 395 O SER A 29 -3.058 1.066 -2.785 1.00 0.00 O ATOM 396 CB SER A 29 -4.689 -0.085 -0.016 1.00 0.00 C ATOM 397 OG SER A 29 -5.988 -0.516 0.372 1.00 0.00 O ATOM 0 H SER A 29 -5.252 -0.309 -2.673 1.00 0.00 H new ATOM 0 HA SER A 29 -5.204 1.883 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.114 -0.937 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.160 0.310 0.851 1.00 0.00 H new ATOM 0 HG SER A 29 -6.080 -1.476 0.196 1.00 0.00 H new ATOM 403 N SER A 30 -2.561 2.008 -0.811 1.00 0.00 N ATOM 404 CA SER A 30 -1.242 2.444 -1.253 1.00 0.00 C ATOM 405 C SER A 30 -0.225 2.442 -0.111 1.00 0.00 C ATOM 406 O SER A 30 -0.588 2.587 1.059 1.00 0.00 O ATOM 407 CB SER A 30 -1.330 3.840 -1.873 1.00 0.00 C ATOM 408 OG SER A 30 -2.328 3.895 -2.880 1.00 0.00 O ATOM 0 H SER A 30 -2.796 2.266 0.148 1.00 0.00 H new ATOM 0 HA SER A 30 -0.896 1.732 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.553 4.572 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.365 4.112 -2.300 1.00 0.00 H new ATOM 0 HG SER A 30 -1.933 3.657 -3.745 1.00 0.00 H new ATOM 414 N TYR A 31 1.043 2.219 -0.460 1.00 0.00 N ATOM 415 CA TYR A 31 2.126 2.148 0.519 1.00 0.00 C ATOM 416 C TYR A 31 3.431 2.703 -0.068 1.00 0.00 C ATOM 417 O TYR A 31 3.514 2.956 -1.267 1.00 0.00 O ATOM 418 CB TYR A 31 2.363 0.692 0.952 1.00 0.00 C ATOM 419 CG TYR A 31 1.246 0.072 1.768 1.00 0.00 C ATOM 420 CD1 TYR A 31 1.217 0.189 3.151 1.00 0.00 C ATOM 421 CD2 TYR A 31 0.235 -0.654 1.153 1.00 0.00 C ATOM 422 CE1 TYR A 31 0.213 -0.393 3.896 1.00 0.00 C ATOM 423 CE2 TYR A 31 -0.771 -1.244 1.893 1.00 0.00 C ATOM 424 CZ TYR A 31 -0.777 -1.111 3.263 1.00 0.00 C ATOM 425 OH TYR A 31 -1.770 -1.709 4.003 1.00 0.00 O ATOM 0 H TYR A 31 1.346 2.083 -1.424 1.00 0.00 H new ATOM 0 HA TYR A 31 1.832 2.748 1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.520 0.085 0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.284 0.648 1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.995 0.746 3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.235 -0.759 0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.203 -0.286 4.971 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.549 -1.807 1.399 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.389 -2.175 3.403 1.00 0.00 H new ATOM 435 N HIS A 32 4.489 2.647 0.743 1.00 0.00 N ATOM 436 CA HIS A 32 5.865 2.863 0.286 1.00 0.00 C ATOM 437 C HIS A 32 6.320 1.564 -0.379 1.00 0.00 C ATOM 438 O HIS A 32 5.646 1.035 -1.260 1.00 0.00 O ATOM 439 CB HIS A 32 6.816 3.129 1.480 1.00 0.00 C ATOM 440 CG HIS A 32 6.945 4.537 1.990 1.00 0.00 C ATOM 441 ND1 HIS A 32 6.110 5.037 2.965 1.00 0.00 N ATOM 442 CD2 HIS A 32 7.935 5.434 1.765 1.00 0.00 C ATOM 443 CE1 HIS A 32 6.610 6.203 3.319 1.00 0.00 C ATOM 444 NE2 HIS A 32 7.720 6.489 2.617 1.00 0.00 N ATOM 0 H HIS A 32 4.416 2.449 1.741 1.00 0.00 H new ATOM 0 HA HIS A 32 5.893 3.720 -0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.489 2.503 2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.811 2.786 1.195 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.740 5.338 1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.184 6.846 4.075 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.293 7.329 2.701 1.00 0.00 H new ATOM 452 N ILE A 33 7.344 0.946 0.213 1.00 0.00 N ATOM 453 CA ILE A 33 7.759 -0.401 -0.151 1.00 0.00 C ATOM 454 C ILE A 33 8.064 -1.214 1.112 1.00 0.00 C ATOM 455 O ILE A 33 8.760 -2.231 1.056 1.00 0.00 O ATOM 456 CB ILE A 33 9.003 -0.390 -1.077 1.00 0.00 C ATOM 457 CG1 ILE A 33 10.239 0.130 -0.335 1.00 0.00 C ATOM 458 CG2 ILE A 33 8.740 0.454 -2.316 1.00 0.00 C ATOM 459 CD1 ILE A 33 11.545 -0.291 -0.972 1.00 0.00 C ATOM 0 H ILE A 33 7.904 1.367 0.955 1.00 0.00 H new ATOM 0 HA ILE A 33 6.937 -0.862 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 33 9.198 -1.417 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.198 1.218 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.213 -0.229 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.624 0.450 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.894 0.040 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.513 1.477 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.378 0.112 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.608 -1.379 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.592 0.091 -1.992 1.00 0.00 H new ATOM 470 N HIS A 34 7.613 -0.717 2.270 1.00 0.00 N ATOM 471 CA HIS A 34 7.964 -1.336 3.549 1.00 0.00 C ATOM 472 C HIS A 34 7.021 -0.920 4.680 1.00 0.00 C ATOM 473 O HIS A 34 7.402 -0.943 5.853 1.00 0.00 O ATOM 474 CB HIS A 34 9.408 -0.976 3.925 1.00 0.00 C ATOM 475 CG HIS A 34 9.697 0.497 3.955 1.00 0.00 C ATOM 476 ND1 HIS A 34 9.809 1.233 2.799 1.00 0.00 N ATOM 477 CD2 HIS A 34 9.901 1.310 5.017 1.00 0.00 C ATOM 478 CE1 HIS A 34 10.076 2.468 3.180 1.00 0.00 C ATOM 479 NE2 HIS A 34 10.143 2.562 4.515 1.00 0.00 N ATOM 0 H HIS A 34 7.011 0.103 2.346 1.00 0.00 H new ATOM 0 HA HIS A 34 7.866 -2.414 3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.630 -1.397 4.906 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.084 -1.451 3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.878 1.027 6.059 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.222 3.297 2.503 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.337 3.405 5.055 1.00 0.00 H new ATOM 487 N CYS A 35 5.808 -0.513 4.341 1.00 0.00 N ATOM 488 CA CYS A 35 4.854 -0.061 5.346 1.00 0.00 C ATOM 489 C CYS A 35 4.028 -1.242 5.848 1.00 0.00 C ATOM 490 O CYS A 35 3.365 -1.174 6.881 1.00 0.00 O ATOM 491 CB CYS A 35 3.935 0.973 4.716 1.00 0.00 C ATOM 492 SG CYS A 35 4.716 1.860 3.339 1.00 0.00 S ATOM 0 H CYS A 35 5.460 -0.486 3.383 1.00 0.00 H new ATOM 0 HA CYS A 35 5.388 0.378 6.189 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.031 0.480 4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.627 1.690 5.477 1.00 0.00 H new ATOM 497 N LEU A 36 4.013 -2.291 5.047 1.00 0.00 N ATOM 498 CA LEU A 36 3.205 -3.467 5.317 1.00 0.00 C ATOM 499 C LEU A 36 4.048 -4.560 5.977 1.00 0.00 C ATOM 500 O LEU A 36 4.929 -4.269 6.786 1.00 0.00 O ATOM 501 CB LEU A 36 2.576 -3.954 3.998 1.00 0.00 C ATOM 502 CG LEU A 36 3.573 -4.370 2.910 1.00 0.00 C ATOM 503 CD1 LEU A 36 3.134 -5.662 2.240 1.00 0.00 C ATOM 504 CD2 LEU A 36 3.720 -3.266 1.878 1.00 0.00 C ATOM 0 H LEU A 36 4.561 -2.352 4.189 1.00 0.00 H new ATOM 0 HA LEU A 36 2.406 -3.215 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.927 -4.802 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.942 -3.160 3.602 1.00 0.00 H new ATOM 0 HG LEU A 36 4.541 -4.541 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.857 -5.937 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.075 -6.456 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.155 -5.520 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.431 -3.576 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.753 -3.068 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.082 -2.360 2.364 1.00 0.00 H new ATOM 516 N ARG A 37 3.779 -5.801 5.603 1.00 0.00 N ATOM 517 CA ARG A 37 4.530 -6.963 6.076 1.00 0.00 C ATOM 518 C ARG A 37 6.019 -6.835 5.704 1.00 0.00 C ATOM 519 O ARG A 37 6.389 -5.872 5.027 1.00 0.00 O ATOM 520 CB ARG A 37 3.921 -8.227 5.457 1.00 0.00 C ATOM 521 CG ARG A 37 2.954 -8.952 6.378 1.00 0.00 C ATOM 522 CD ARG A 37 1.516 -8.806 5.905 1.00 0.00 C ATOM 523 NE ARG A 37 0.730 -7.957 6.798 1.00 0.00 N ATOM 524 CZ ARG A 37 -0.345 -8.372 7.464 1.00 0.00 C ATOM 525 NH1 ARG A 37 -0.816 -9.600 7.275 1.00 0.00 N ATOM 526 NH2 ARG A 37 -0.961 -7.552 8.306 1.00 0.00 N ATOM 0 H ARG A 37 3.026 -6.037 4.956 1.00 0.00 H new ATOM 0 HA ARG A 37 4.467 -7.023 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.401 -7.957 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.725 -8.909 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.217 -10.009 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.047 -8.556 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.506 -8.383 4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.054 -9.791 5.841 1.00 0.00 H new ATOM 0 HE ARG A 37 1.023 -6.987 6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.353 -10.228 6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.640 -9.915 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.611 -6.604 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.785 -7.870 8.816 1.00 0.00 H new ATOM 540 N PRO A 38 6.886 -7.798 6.140 1.00 0.00 N ATOM 541 CA PRO A 38 8.330 -7.814 5.890 1.00 0.00 C ATOM 542 C PRO A 38 8.785 -6.949 4.717 1.00 0.00 C ATOM 543 O PRO A 38 8.438 -7.210 3.558 1.00 0.00 O ATOM 544 CB PRO A 38 8.568 -9.292 5.614 1.00 0.00 C ATOM 545 CG PRO A 38 7.570 -10.011 6.476 1.00 0.00 C ATOM 546 CD PRO A 38 6.538 -8.994 6.921 1.00 0.00 C ATOM 0 HA PRO A 38 8.897 -7.394 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.421 -9.526 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.588 -9.582 5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.096 -10.821 5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.062 -10.461 7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.523 -9.331 6.710 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.595 -8.805 7.993 1.00 0.00 H new ATOM 554 N ALA A 39 9.443 -5.847 5.069 1.00 0.00 N ATOM 555 CA ALA A 39 9.854 -4.814 4.122 1.00 0.00 C ATOM 556 C ALA A 39 10.498 -5.384 2.863 1.00 0.00 C ATOM 557 O ALA A 39 11.357 -6.266 2.935 1.00 0.00 O ATOM 558 CB ALA A 39 10.817 -3.859 4.807 1.00 0.00 C ATOM 0 H ALA A 39 9.709 -5.644 6.033 1.00 0.00 H new ATOM 0 HA ALA A 39 8.954 -4.288 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.126 -3.086 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.324 -3.395 5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.693 -4.409 5.149 1.00 0.00 H new ATOM 564 N LEU A 40 10.148 -4.801 1.722 1.00 0.00 N ATOM 565 CA LEU A 40 10.752 -5.175 0.457 1.00 0.00 C ATOM 566 C LEU A 40 12.094 -4.471 0.303 1.00 0.00 C ATOM 567 O LEU A 40 12.210 -3.272 0.571 1.00 0.00 O ATOM 568 CB LEU A 40 9.826 -4.811 -0.708 1.00 0.00 C ATOM 569 CG LEU A 40 8.596 -5.707 -0.865 1.00 0.00 C ATOM 570 CD1 LEU A 40 7.339 -4.972 -0.430 1.00 0.00 C ATOM 571 CD2 LEU A 40 8.465 -6.180 -2.301 1.00 0.00 C ATOM 0 H LEU A 40 9.446 -4.065 1.651 1.00 0.00 H new ATOM 0 HA LEU A 40 10.909 -6.254 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.492 -3.782 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.401 -4.845 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 40 8.722 -6.579 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.475 -5.626 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.432 -4.680 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.207 -4.081 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.585 -6.816 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.362 -5.318 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.354 -6.746 -2.580 1.00 0.00 H new ATOM 583 N TYR A 41 13.122 -5.231 -0.034 1.00 0.00 N ATOM 584 CA TYR A 41 14.468 -4.688 -0.138 1.00 0.00 C ATOM 585 C TYR A 41 14.642 -3.932 -1.449 1.00 0.00 C ATOM 586 O TYR A 41 15.460 -3.017 -1.549 1.00 0.00 O ATOM 587 CB TYR A 41 15.497 -5.809 -0.005 1.00 0.00 C ATOM 588 CG TYR A 41 15.398 -6.531 1.321 1.00 0.00 C ATOM 589 CD1 TYR A 41 15.363 -5.819 2.512 1.00 0.00 C ATOM 590 CD2 TYR A 41 15.315 -7.917 1.382 1.00 0.00 C ATOM 591 CE1 TYR A 41 15.248 -6.464 3.727 1.00 0.00 C ATOM 592 CE2 TYR A 41 15.203 -8.570 2.596 1.00 0.00 C ATOM 593 CZ TYR A 41 15.168 -7.838 3.764 1.00 0.00 C ATOM 594 OH TYR A 41 15.044 -8.481 4.976 1.00 0.00 O ATOM 0 H TYR A 41 13.051 -6.227 -0.241 1.00 0.00 H new ATOM 0 HA TYR A 41 14.627 -3.980 0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.358 -6.524 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.499 -5.394 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 41 15.427 -4.741 2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 41 15.338 -8.492 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 41 15.221 -5.894 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 41 15.143 -9.648 2.629 1.00 0.00 H new ATOM 0 HH TYR A 41 14.999 -9.449 4.830 1.00 0.00 H new ATOM 604 N GLU A 42 13.771 -4.226 -2.401 1.00 0.00 N ATOM 605 CA GLU A 42 13.714 -3.488 -3.652 1.00 0.00 C ATOM 606 C GLU A 42 12.290 -3.024 -3.894 1.00 0.00 C ATOM 607 O GLU A 42 11.344 -3.670 -3.446 1.00 0.00 O ATOM 608 CB GLU A 42 14.174 -4.361 -4.818 1.00 0.00 C ATOM 609 CG GLU A 42 15.680 -4.506 -4.916 1.00 0.00 C ATOM 610 CD GLU A 42 16.163 -5.860 -4.447 1.00 0.00 C ATOM 611 OE1 GLU A 42 15.433 -6.856 -4.637 1.00 0.00 O ATOM 612 OE2 GLU A 42 17.279 -5.937 -3.891 1.00 0.00 O ATOM 0 H GLU A 42 13.087 -4.979 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 42 14.380 -2.628 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.729 -5.351 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.798 -3.936 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.990 -4.351 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.156 -3.727 -4.320 1.00 0.00 H new ATOM 619 N VAL A 43 12.138 -1.920 -4.608 1.00 0.00 N ATOM 620 CA VAL A 43 10.817 -1.397 -4.927 1.00 0.00 C ATOM 621 C VAL A 43 10.064 -2.374 -5.833 1.00 0.00 C ATOM 622 O VAL A 43 10.576 -2.785 -6.874 1.00 0.00 O ATOM 623 CB VAL A 43 10.908 -0.006 -5.603 1.00 0.00 C ATOM 624 CG1 VAL A 43 11.901 -0.017 -6.761 1.00 0.00 C ATOM 625 CG2 VAL A 43 9.537 0.454 -6.076 1.00 0.00 C ATOM 0 H VAL A 43 12.912 -1.368 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 43 10.269 -1.282 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 43 11.271 0.702 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.942 0.973 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.890 -0.287 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.582 -0.745 -7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.624 1.433 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.142 -0.262 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.861 0.521 -5.223 1.00 0.00 H new ATOM 635 N PRO A 44 8.898 -2.859 -5.386 1.00 0.00 N ATOM 636 CA PRO A 44 8.137 -3.869 -6.116 1.00 0.00 C ATOM 637 C PRO A 44 7.726 -3.393 -7.505 1.00 0.00 C ATOM 638 O PRO A 44 7.229 -2.276 -7.676 1.00 0.00 O ATOM 639 CB PRO A 44 6.905 -4.128 -5.244 1.00 0.00 C ATOM 640 CG PRO A 44 6.879 -3.032 -4.234 1.00 0.00 C ATOM 641 CD PRO A 44 8.291 -2.546 -4.088 1.00 0.00 C ATOM 0 HA PRO A 44 8.731 -4.767 -6.286 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.995 -4.127 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.967 -5.103 -4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.223 -2.224 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.494 -3.393 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.328 -1.478 -3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.807 -3.051 -3.272 1.00 0.00 H new ATOM 649 N ASP A 45 7.977 -4.235 -8.493 1.00 0.00 N ATOM 650 CA ASP A 45 7.678 -3.911 -9.880 1.00 0.00 C ATOM 651 C ASP A 45 6.792 -4.990 -10.492 1.00 0.00 C ATOM 652 O ASP A 45 7.028 -6.184 -10.287 1.00 0.00 O ATOM 653 CB ASP A 45 8.977 -3.777 -10.678 1.00 0.00 C ATOM 654 CG ASP A 45 8.742 -3.656 -12.170 1.00 0.00 C ATOM 655 OD1 ASP A 45 8.142 -2.651 -12.601 1.00 0.00 O ATOM 656 OD2 ASP A 45 9.175 -4.558 -12.916 1.00 0.00 O ATOM 0 H ASP A 45 8.391 -5.157 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 45 7.145 -2.961 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.523 -2.901 -10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.608 -4.644 -10.484 1.00 0.00 H new ATOM 661 N GLY A 46 5.732 -4.569 -11.164 1.00 0.00 N ATOM 662 CA GLY A 46 4.787 -5.515 -11.720 1.00 0.00 C ATOM 663 C GLY A 46 3.493 -5.544 -10.933 1.00 0.00 C ATOM 664 O GLY A 46 3.139 -4.562 -10.280 1.00 0.00 O ATOM 0 H GLY A 46 5.509 -3.588 -11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.576 -5.252 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.231 -6.511 -11.727 1.00 0.00 H new ATOM 668 N GLU A 47 2.797 -6.670 -10.980 1.00 0.00 N ATOM 669 CA GLU A 47 1.539 -6.826 -10.262 1.00 0.00 C ATOM 670 C GLU A 47 1.791 -7.053 -8.776 1.00 0.00 C ATOM 671 O GLU A 47 1.928 -8.191 -8.322 1.00 0.00 O ATOM 672 CB GLU A 47 0.730 -7.993 -10.836 1.00 0.00 C ATOM 673 CG GLU A 47 0.827 -8.128 -12.346 1.00 0.00 C ATOM 674 CD GLU A 47 1.880 -9.127 -12.772 1.00 0.00 C ATOM 675 OE1 GLU A 47 3.078 -8.768 -12.778 1.00 0.00 O ATOM 676 OE2 GLU A 47 1.518 -10.274 -13.102 1.00 0.00 O ATOM 0 H GLU A 47 3.083 -7.493 -11.510 1.00 0.00 H new ATOM 0 HA GLU A 47 0.966 -5.907 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.072 -8.920 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.317 -7.867 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.141 -8.434 -12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.057 -7.155 -12.780 1.00 0.00 H new ATOM 683 N TRP A 48 1.839 -5.966 -8.026 1.00 0.00 N ATOM 684 CA TRP A 48 2.028 -6.033 -6.588 1.00 0.00 C ATOM 685 C TRP A 48 0.675 -5.922 -5.890 1.00 0.00 C ATOM 686 O TRP A 48 -0.246 -5.292 -6.416 1.00 0.00 O ATOM 687 CB TRP A 48 2.968 -4.908 -6.129 1.00 0.00 C ATOM 688 CG TRP A 48 3.123 -4.815 -4.644 1.00 0.00 C ATOM 689 CD1 TRP A 48 3.936 -5.573 -3.854 1.00 0.00 C ATOM 690 CD2 TRP A 48 2.440 -3.909 -3.770 1.00 0.00 C ATOM 691 NE1 TRP A 48 3.802 -5.194 -2.541 1.00 0.00 N ATOM 692 CE2 TRP A 48 2.890 -4.174 -2.465 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.491 -2.898 -3.965 1.00 0.00 C ATOM 694 CZ2 TRP A 48 2.423 -3.467 -1.362 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.029 -2.199 -2.868 1.00 0.00 C ATOM 696 CH2 TRP A 48 1.498 -2.484 -1.583 1.00 0.00 C ATOM 0 H TRP A 48 1.749 -5.019 -8.393 1.00 0.00 H new ATOM 0 HA TRP A 48 2.482 -6.988 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.949 -5.062 -6.578 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.591 -3.957 -6.505 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.589 -6.356 -4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.300 -5.605 -1.751 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.127 -2.669 -4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.778 -3.687 -0.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.294 -1.420 -3.005 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.122 -1.915 -0.746 1.00 0.00 H new ATOM 707 N GLN A 49 0.543 -6.564 -4.737 1.00 0.00 N ATOM 708 CA GLN A 49 -0.707 -6.546 -3.989 1.00 0.00 C ATOM 709 C GLN A 49 -0.436 -6.370 -2.498 1.00 0.00 C ATOM 710 O GLN A 49 0.479 -6.993 -1.948 1.00 0.00 O ATOM 711 CB GLN A 49 -1.488 -7.839 -4.223 1.00 0.00 C ATOM 712 CG GLN A 49 -1.931 -8.033 -5.667 1.00 0.00 C ATOM 713 CD GLN A 49 -2.265 -9.474 -5.986 1.00 0.00 C ATOM 714 OE1 GLN A 49 -2.023 -9.953 -7.093 1.00 0.00 O ATOM 715 NE2 GLN A 49 -2.832 -10.173 -5.018 1.00 0.00 N ATOM 0 H GLN A 49 1.288 -7.105 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.302 -5.704 -4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.870 -8.686 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.367 -7.844 -3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.804 -7.410 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.140 -7.691 -6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.015 -9.737 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.086 -11.148 -5.175 1.00 0.00 H new ATOM 724 N CYS A 50 -1.233 -5.530 -1.845 1.00 0.00 N ATOM 725 CA CYS A 50 -1.092 -5.299 -0.414 1.00 0.00 C ATOM 726 C CYS A 50 -1.789 -6.409 0.376 1.00 0.00 C ATOM 727 O CYS A 50 -2.514 -7.222 -0.193 1.00 0.00 O ATOM 728 CB CYS A 50 -1.650 -3.915 -0.041 1.00 0.00 C ATOM 729 SG CYS A 50 -3.412 -3.882 0.426 1.00 0.00 S ATOM 0 H CYS A 50 -1.983 -4.998 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.033 -5.317 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.064 -3.517 0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.503 -3.243 -0.886 1.00 0.00 H new ATOM 734 N PRO A 51 -1.544 -6.498 1.690 1.00 0.00 N ATOM 735 CA PRO A 51 -2.117 -7.549 2.524 1.00 0.00 C ATOM 736 C PRO A 51 -3.555 -7.247 2.940 1.00 0.00 C ATOM 737 O PRO A 51 -4.066 -7.838 3.892 1.00 0.00 O ATOM 738 CB PRO A 51 -1.202 -7.575 3.762 1.00 0.00 C ATOM 739 CG PRO A 51 -0.125 -6.567 3.506 1.00 0.00 C ATOM 740 CD PRO A 51 -0.654 -5.632 2.463 1.00 0.00 C ATOM 0 HA PRO A 51 -2.165 -8.499 1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.761 -7.327 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.778 -8.568 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.126 -6.027 4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.788 -7.054 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.188 -4.791 2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.144 -5.216 1.848 1.00 0.00 H new ATOM 748 N ARG A 52 -4.180 -6.275 2.287 1.00 0.00 N ATOM 749 CA ARG A 52 -5.522 -5.867 2.668 1.00 0.00 C ATOM 750 C ARG A 52 -6.557 -6.191 1.594 1.00 0.00 C ATOM 751 O ARG A 52 -7.741 -6.318 1.911 1.00 0.00 O ATOM 752 CB ARG A 52 -5.564 -4.374 2.997 1.00 0.00 C ATOM 753 CG ARG A 52 -5.372 -4.066 4.475 1.00 0.00 C ATOM 754 CD ARG A 52 -6.329 -4.865 5.344 1.00 0.00 C ATOM 755 NE ARG A 52 -6.602 -4.203 6.619 1.00 0.00 N ATOM 756 CZ ARG A 52 -7.792 -4.188 7.215 1.00 0.00 C ATOM 757 NH1 ARG A 52 -8.844 -4.752 6.629 1.00 0.00 N ATOM 758 NH2 ARG A 52 -7.930 -3.602 8.398 1.00 0.00 N ATOM 0 H ARG A 52 -3.783 -5.761 1.500 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.780 -6.440 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.789 -3.863 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.521 -3.966 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.345 -4.290 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.526 -3.001 4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.265 -5.015 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.908 -5.852 5.532 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.831 -3.722 7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.741 -5.199 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.754 -4.737 7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.125 -3.165 8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.841 -3.589 8.857 1.00 0.00 H new ATOM 772 N CYS A 53 -6.134 -6.387 0.343 1.00 0.00 N ATOM 773 CA CYS A 53 -7.082 -6.753 -0.692 1.00 0.00 C ATOM 774 C CYS A 53 -7.562 -8.178 -0.465 1.00 0.00 C ATOM 775 O CYS A 53 -8.747 -8.415 -0.225 1.00 0.00 O ATOM 776 CB CYS A 53 -6.466 -6.625 -2.084 1.00 0.00 C ATOM 777 SG CYS A 53 -4.719 -6.118 -2.127 1.00 0.00 S ATOM 0 H CYS A 53 -5.166 -6.300 0.035 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.928 -6.067 -0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.560 -7.584 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.050 -5.903 -2.655 1.00 0.00 H new ATOM 782 N THR A 54 -6.599 -9.093 -0.404 1.00 0.00 N ATOM 783 CA THR A 54 -6.854 -10.501 -0.104 1.00 0.00 C ATOM 784 C THR A 54 -7.970 -11.070 -0.979 1.00 0.00 C ATOM 785 O THR A 54 -8.997 -11.533 -0.481 1.00 0.00 O ATOM 786 CB THR A 54 -7.202 -10.719 1.387 1.00 0.00 C ATOM 787 OG1 THR A 54 -7.220 -9.467 2.088 1.00 0.00 O ATOM 788 CG2 THR A 54 -6.191 -11.646 2.040 1.00 0.00 C ATOM 0 H THR A 54 -5.614 -8.879 -0.562 1.00 0.00 H new ATOM 0 HA THR A 54 -5.929 -11.034 -0.325 1.00 0.00 H new ATOM 0 HB THR A 54 -8.191 -11.173 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.443 -9.622 3.029 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.452 -11.788 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.199 -12.610 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.196 -11.207 1.970 1.00 0.00 H new ATOM 796 N CYS A 55 -7.738 -11.072 -2.283 1.00 0.00 N ATOM 797 CA CYS A 55 -8.690 -11.627 -3.226 1.00 0.00 C ATOM 798 C CYS A 55 -8.418 -13.111 -3.418 1.00 0.00 C ATOM 799 O CYS A 55 -7.348 -13.497 -3.887 1.00 0.00 O ATOM 800 CB CYS A 55 -8.599 -10.900 -4.569 1.00 0.00 C ATOM 801 SG CYS A 55 -9.690 -11.565 -5.848 1.00 0.00 S ATOM 0 H CYS A 55 -6.893 -10.693 -2.711 1.00 0.00 H new ATOM 0 HA CYS A 55 -9.696 -11.494 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.837 -9.847 -4.416 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.570 -10.946 -4.925 1.00 0.00 H new ATOM 0 HG CYS A 55 -9.541 -10.882 -6.944 1.00 0.00 H new ATOM 807 N PRO A 56 -9.362 -13.967 -3.008 1.00 0.00 N ATOM 808 CA PRO A 56 -9.207 -15.419 -3.096 1.00 0.00 C ATOM 809 C PRO A 56 -9.517 -15.955 -4.492 1.00 0.00 C ATOM 810 O PRO A 56 -10.236 -16.945 -4.641 1.00 0.00 O ATOM 811 CB PRO A 56 -10.226 -15.927 -2.082 1.00 0.00 C ATOM 812 CG PRO A 56 -11.310 -14.906 -2.093 1.00 0.00 C ATOM 813 CD PRO A 56 -10.645 -13.586 -2.382 1.00 0.00 C ATOM 0 HA PRO A 56 -8.185 -15.742 -2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.605 -16.910 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.784 -16.025 -1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.056 -15.140 -2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.828 -14.879 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.249 -12.972 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.490 -13.008 -1.471 1.00 0.00 H new ATOM 821 N ALA A 57 -8.975 -15.282 -5.507 1.00 0.00 N ATOM 822 CA ALA A 57 -9.186 -15.661 -6.901 1.00 0.00 C ATOM 823 C ALA A 57 -10.673 -15.771 -7.221 1.00 0.00 C ATOM 824 O ALA A 57 -11.199 -16.868 -7.414 1.00 0.00 O ATOM 825 CB ALA A 57 -8.467 -16.968 -7.210 1.00 0.00 C ATOM 0 H ALA A 57 -8.380 -14.462 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.767 -14.878 -7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.634 -17.237 -8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.398 -16.846 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.854 -17.757 -6.565 1.00 0.00 H new ATOM 831 N LEU A 58 -11.354 -14.631 -7.223 1.00 0.00 N ATOM 832 CA LEU A 58 -12.793 -14.598 -7.471 1.00 0.00 C ATOM 833 C LEU A 58 -13.113 -15.080 -8.884 1.00 0.00 C ATOM 834 O LEU A 58 -14.128 -15.737 -9.113 1.00 0.00 O ATOM 835 CB LEU A 58 -13.340 -13.183 -7.262 1.00 0.00 C ATOM 836 CG LEU A 58 -13.304 -12.674 -5.817 1.00 0.00 C ATOM 837 CD1 LEU A 58 -13.921 -11.287 -5.729 1.00 0.00 C ATOM 838 CD2 LEU A 58 -14.030 -13.640 -4.894 1.00 0.00 C ATOM 0 H LEU A 58 -10.934 -13.717 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.273 -15.270 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.770 -12.495 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -14.371 -13.154 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.264 -12.611 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.888 -10.939 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.361 -10.599 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.957 -11.328 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.995 -13.263 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.069 -13.734 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.548 -14.617 -4.937 1.00 0.00 H new ATOM 850 N LYS A 59 -12.217 -14.786 -9.818 1.00 0.00 N ATOM 851 CA LYS A 59 -12.383 -15.221 -11.194 1.00 0.00 C ATOM 852 C LYS A 59 -11.118 -15.914 -11.690 1.00 0.00 C ATOM 853 O LYS A 59 -11.168 -17.045 -12.183 1.00 0.00 O ATOM 854 CB LYS A 59 -12.720 -14.027 -12.090 1.00 0.00 C ATOM 855 CG LYS A 59 -14.169 -13.584 -11.991 1.00 0.00 C ATOM 856 CD LYS A 59 -14.611 -12.845 -13.241 1.00 0.00 C ATOM 857 CE LYS A 59 -15.760 -13.559 -13.935 1.00 0.00 C ATOM 858 NZ LYS A 59 -15.487 -13.776 -15.378 1.00 0.00 N ATOM 0 H LYS A 59 -11.368 -14.248 -9.645 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.207 -15.933 -11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.074 -13.190 -11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.498 -14.286 -13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.807 -14.454 -11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.295 -12.938 -11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.917 -11.833 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.770 -12.755 -13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.936 -14.519 -13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.672 -12.973 -13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.294 -14.265 -15.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.344 -12.858 -15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.631 -14.357 -15.486 1.00 0.00 H new ATOM 872 N GLY A 60 -9.984 -15.243 -11.540 1.00 0.00 N ATOM 873 CA GLY A 60 -8.723 -15.807 -11.974 1.00 0.00 C ATOM 874 C GLY A 60 -7.535 -15.047 -11.422 1.00 0.00 C ATOM 875 O GLY A 60 -7.261 -13.921 -11.838 1.00 0.00 O ATOM 0 H GLY A 60 -9.916 -14.314 -11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.665 -16.848 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.681 -15.802 -13.063 1.00 0.00 H new ATOM 879 N LYS A 61 -6.829 -15.662 -10.485 1.00 0.00 N ATOM 880 CA LYS A 61 -5.653 -15.050 -9.886 1.00 0.00 C ATOM 881 C LYS A 61 -4.499 -16.047 -9.875 1.00 0.00 C ATOM 882 O LYS A 61 -4.530 -16.990 -10.693 1.00 0.00 O ATOM 883 CB LYS A 61 -5.956 -14.584 -8.459 1.00 0.00 C ATOM 884 CG LYS A 61 -6.517 -13.171 -8.375 1.00 0.00 C ATOM 885 CD LYS A 61 -5.602 -12.158 -9.046 1.00 0.00 C ATOM 886 CE LYS A 61 -4.415 -11.798 -8.168 1.00 0.00 C ATOM 887 NZ LYS A 61 -3.119 -12.100 -8.832 1.00 0.00 N ATOM 888 OXT LYS A 61 -3.579 -15.897 -9.043 1.00 0.00 O ATOM 0 H LYS A 61 -7.052 -16.589 -10.122 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.371 -14.181 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.668 -15.274 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.041 -14.636 -7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.499 -13.142 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.657 -12.897 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.244 -12.563 -9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.168 -11.256 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.456 -10.738 -7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.478 -12.348 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.379 -11.478 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.862 -13.092 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.208 -11.941 -9.856 1.00 0.00 H new TER 902 LYS A 61 HETATM 903 ZN ZN A 62 -4.553 -3.931 -1.488 1.00 0.00 ZN HETATM 904 ZN ZN A 63 4.451 4.148 3.684 1.00 0.00 ZN