USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 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 Single : A 1 GLY N :NH3+ -111:sc= 0.0975 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.201 USER MOD Single : A 7 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.0021) USER MOD Single : A 8 HIS : no HD1:sc= 0.7 K(o=0.7,f=-3.6!) 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 23 CYS SG : rot -38:sc= 0.251 USER MOD Single : A 26 THR OG1 : rot -86:sc= 1.12 USER MOD Single : A 29 SER OG : rot 107:sc= 1.43 USER MOD Single : A 30 SER OG : rot -150:sc= -0.288 USER MOD Single : A 31 TYR OH : rot -30:sc= -2.81! USER MOD Single : A 34 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.11) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.87! C(o=-1.9!,f=-1.4!) USER MOD Single : A 54 THR OG1 : rot -65:sc= 1.15 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.069 6.585 14.653 1.00 0.00 N ATOM 2 CA GLY A 1 -14.731 5.438 15.524 1.00 0.00 C ATOM 3 C GLY A 1 -14.099 4.306 14.742 1.00 0.00 C ATOM 4 O GLY A 1 -14.059 4.354 13.513 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.446 7.387 14.877 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.940 6.314 13.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.059 6.861 14.812 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.047 5.765 16.307 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.633 5.079 16.019 1.00 0.00 H new ATOM 10 N PRO A 2 -13.561 3.287 15.426 1.00 0.00 N ATOM 11 CA PRO A 2 -12.907 2.153 14.772 1.00 0.00 C ATOM 12 C PRO A 2 -13.912 1.158 14.193 1.00 0.00 C ATOM 13 O PRO A 2 -14.360 0.230 14.872 1.00 0.00 O ATOM 14 CB PRO A 2 -12.104 1.515 15.904 1.00 0.00 C ATOM 15 CG PRO A 2 -12.859 1.849 17.146 1.00 0.00 C ATOM 16 CD PRO A 2 -13.526 3.178 16.896 1.00 0.00 C ATOM 0 HA PRO A 2 -12.299 2.462 13.922 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.021 0.436 15.770 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.089 1.911 15.940 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.598 1.080 17.370 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.189 1.906 18.004 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.529 3.208 17.323 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -12.964 3.997 17.344 1.00 0.00 H new ATOM 24 N LEU A 3 -14.269 1.362 12.934 1.00 0.00 N ATOM 25 CA LEU A 3 -15.226 0.495 12.261 1.00 0.00 C ATOM 26 C LEU A 3 -14.525 -0.704 11.635 1.00 0.00 C ATOM 27 O LEU A 3 -13.382 -0.601 11.188 1.00 0.00 O ATOM 28 CB LEU A 3 -15.992 1.265 11.181 1.00 0.00 C ATOM 29 CG LEU A 3 -16.340 2.714 11.526 1.00 0.00 C ATOM 30 CD1 LEU A 3 -16.384 3.558 10.262 1.00 0.00 C ATOM 31 CD2 LEU A 3 -17.669 2.783 12.258 1.00 0.00 C ATOM 0 H LEU A 3 -13.910 2.122 12.356 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.933 0.139 13.010 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.399 1.260 10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -16.916 0.730 10.964 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.566 3.111 12.183 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.633 4.587 10.520 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.410 3.532 9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.141 3.161 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.900 3.821 12.495 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -18.455 2.372 11.625 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.607 2.205 13.180 1.00 0.00 H new ATOM 43 N GLY A 4 -15.220 -1.835 11.597 1.00 0.00 N ATOM 44 CA GLY A 4 -14.661 -3.033 11.004 1.00 0.00 C ATOM 45 C GLY A 4 -14.708 -2.982 9.493 1.00 0.00 C ATOM 46 O GLY A 4 -13.975 -3.704 8.812 1.00 0.00 O ATOM 0 H GLY A 4 -16.164 -1.943 11.968 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.629 -3.154 11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.212 -3.905 11.356 1.00 0.00 H new ATOM 50 N SER A 5 -15.537 -2.079 8.976 1.00 0.00 N ATOM 51 CA SER A 5 -15.653 -1.858 7.546 1.00 0.00 C ATOM 52 C SER A 5 -14.332 -1.351 6.985 1.00 0.00 C ATOM 53 O SER A 5 -13.808 -0.333 7.441 1.00 0.00 O ATOM 54 CB SER A 5 -16.762 -0.840 7.275 1.00 0.00 C ATOM 55 OG SER A 5 -17.410 -0.465 8.485 1.00 0.00 O ATOM 0 H SER A 5 -16.144 -1.483 9.539 1.00 0.00 H new ATOM 0 HA SER A 5 -15.901 -2.800 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.342 0.043 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.490 -1.264 6.583 1.00 0.00 H new ATOM 0 HG SER A 5 -18.115 0.188 8.290 1.00 0.00 H new ATOM 61 N ASP A 6 -13.762 -2.101 6.055 1.00 0.00 N ATOM 62 CA ASP A 6 -12.470 -1.751 5.484 1.00 0.00 C ATOM 63 C ASP A 6 -12.599 -0.565 4.542 1.00 0.00 C ATOM 64 O ASP A 6 -13.451 -0.555 3.648 1.00 0.00 O ATOM 65 CB ASP A 6 -11.861 -2.936 4.743 1.00 0.00 C ATOM 66 CG ASP A 6 -10.410 -2.688 4.406 1.00 0.00 C ATOM 67 OD1 ASP A 6 -9.588 -2.605 5.345 1.00 0.00 O ATOM 68 OD2 ASP A 6 -10.087 -2.550 3.208 1.00 0.00 O ATOM 0 H ASP A 6 -14.173 -2.956 5.679 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.809 -1.477 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.946 -3.833 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.422 -3.122 3.827 1.00 0.00 H new ATOM 73 N HIS A 7 -11.786 0.452 4.774 1.00 0.00 N ATOM 74 CA HIS A 7 -11.833 1.660 3.973 1.00 0.00 C ATOM 75 C HIS A 7 -10.693 1.690 2.969 1.00 0.00 C ATOM 76 O HIS A 7 -9.552 2.001 3.312 1.00 0.00 O ATOM 77 CB HIS A 7 -11.778 2.902 4.864 1.00 0.00 C ATOM 78 CG HIS A 7 -12.310 4.140 4.209 1.00 0.00 C ATOM 79 ND1 HIS A 7 -12.993 5.089 4.929 1.00 0.00 N ATOM 80 CD2 HIS A 7 -12.230 4.539 2.915 1.00 0.00 C ATOM 81 CE1 HIS A 7 -13.311 6.037 4.064 1.00 0.00 C ATOM 82 NE2 HIS A 7 -12.870 5.748 2.833 1.00 0.00 N ATOM 0 H HIS A 7 -11.084 0.463 5.514 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.776 1.661 3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.347 2.710 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.745 3.077 5.165 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.754 4.006 2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.858 6.933 4.318 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.988 6.318 1.995 1.00 0.00 H new ATOM 90 N HIS A 8 -11.024 1.412 1.720 1.00 0.00 N ATOM 91 CA HIS A 8 -10.060 1.474 0.637 1.00 0.00 C ATOM 92 C HIS A 8 -9.879 2.915 0.181 1.00 0.00 C ATOM 93 O HIS A 8 -10.855 3.602 -0.120 1.00 0.00 O ATOM 94 CB HIS A 8 -10.509 0.603 -0.547 1.00 0.00 C ATOM 95 CG HIS A 8 -11.994 0.586 -0.790 1.00 0.00 C ATOM 96 ND1 HIS A 8 -12.868 0.020 0.110 1.00 0.00 N ATOM 97 CD2 HIS A 8 -12.699 1.064 -1.845 1.00 0.00 C ATOM 98 CE1 HIS A 8 -14.071 0.166 -0.413 1.00 0.00 C ATOM 99 NE2 HIS A 8 -14.019 0.790 -1.595 1.00 0.00 N ATOM 0 H HIS A 8 -11.963 1.139 1.430 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.108 1.091 1.005 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.011 0.957 -1.450 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -10.171 -0.419 -0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.298 1.564 -2.714 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.983 -0.175 0.055 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.811 1.019 -2.196 1.00 0.00 H new ATOM 107 N MET A 9 -8.638 3.380 0.178 1.00 0.00 N ATOM 108 CA MET A 9 -8.327 4.749 -0.209 1.00 0.00 C ATOM 109 C MET A 9 -6.875 4.835 -0.671 1.00 0.00 C ATOM 110 O MET A 9 -6.028 4.068 -0.209 1.00 0.00 O ATOM 111 CB MET A 9 -8.585 5.700 0.967 1.00 0.00 C ATOM 112 CG MET A 9 -8.019 7.099 0.778 1.00 0.00 C ATOM 113 SD MET A 9 -9.010 8.111 -0.333 1.00 0.00 S ATOM 114 CE MET A 9 -7.786 9.296 -0.886 1.00 0.00 C ATOM 0 H MET A 9 -7.824 2.824 0.441 1.00 0.00 H new ATOM 0 HA MET A 9 -8.972 5.048 -1.035 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.660 5.775 1.129 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.156 5.266 1.870 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.951 7.592 1.748 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.004 7.025 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.246 9.996 -1.584 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.395 9.843 -0.028 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.970 8.771 -1.384 1.00 0.00 H new ATOM 124 N GLU A 10 -6.611 5.704 -1.640 1.00 0.00 N ATOM 125 CA GLU A 10 -5.283 5.825 -2.225 1.00 0.00 C ATOM 126 C GLU A 10 -4.325 6.591 -1.315 1.00 0.00 C ATOM 127 O GLU A 10 -4.085 7.784 -1.512 1.00 0.00 O ATOM 128 CB GLU A 10 -5.377 6.519 -3.580 1.00 0.00 C ATOM 129 CG GLU A 10 -4.115 6.392 -4.412 1.00 0.00 C ATOM 130 CD GLU A 10 -4.395 6.396 -5.898 1.00 0.00 C ATOM 131 OE1 GLU A 10 -4.882 7.426 -6.411 1.00 0.00 O ATOM 132 OE2 GLU A 10 -4.113 5.377 -6.564 1.00 0.00 O ATOM 0 H GLU A 10 -7.304 6.338 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.884 4.819 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.214 6.099 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.596 7.575 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.441 7.214 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.600 5.469 -4.146 1.00 0.00 H new ATOM 139 N PHE A 11 -3.744 5.884 -0.355 1.00 0.00 N ATOM 140 CA PHE A 11 -2.751 6.456 0.547 1.00 0.00 C ATOM 141 C PHE A 11 -2.192 5.360 1.445 1.00 0.00 C ATOM 142 O PHE A 11 -2.788 4.284 1.550 1.00 0.00 O ATOM 143 CB PHE A 11 -3.355 7.590 1.393 1.00 0.00 C ATOM 144 CG PHE A 11 -4.138 7.123 2.591 1.00 0.00 C ATOM 145 CD1 PHE A 11 -5.225 6.279 2.441 1.00 0.00 C ATOM 146 CD2 PHE A 11 -3.785 7.533 3.866 1.00 0.00 C ATOM 147 CE1 PHE A 11 -5.945 5.851 3.541 1.00 0.00 C ATOM 148 CE2 PHE A 11 -4.501 7.110 4.969 1.00 0.00 C ATOM 149 CZ PHE A 11 -5.583 6.267 4.806 1.00 0.00 C ATOM 0 H PHE A 11 -3.947 4.900 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.944 6.884 -0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.550 8.242 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.007 8.191 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.514 5.951 1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.939 8.192 3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.790 5.192 3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.215 7.438 5.957 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.144 5.934 5.667 1.00 0.00 H new ATOM 159 N CYS A 12 -1.061 5.629 2.092 1.00 0.00 N ATOM 160 CA CYS A 12 -0.469 4.662 3.009 1.00 0.00 C ATOM 161 C CYS A 12 -1.377 4.464 4.207 1.00 0.00 C ATOM 162 O CYS A 12 -1.638 5.398 4.961 1.00 0.00 O ATOM 163 CB CYS A 12 0.904 5.121 3.487 1.00 0.00 C ATOM 164 SG CYS A 12 2.258 4.687 2.377 1.00 0.00 S ATOM 0 H CYS A 12 -0.540 6.501 1.999 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.351 3.720 2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.888 6.203 3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.099 4.686 4.467 1.00 0.00 H new ATOM 170 N ARG A 13 -1.904 3.262 4.338 1.00 0.00 N ATOM 171 CA ARG A 13 -2.854 2.956 5.408 1.00 0.00 C ATOM 172 C ARG A 13 -2.231 3.167 6.795 1.00 0.00 C ATOM 173 O ARG A 13 -2.942 3.394 7.774 1.00 0.00 O ATOM 174 CB ARG A 13 -3.357 1.520 5.272 1.00 0.00 C ATOM 175 CG ARG A 13 -4.543 1.372 4.331 1.00 0.00 C ATOM 176 CD ARG A 13 -4.936 -0.086 4.172 1.00 0.00 C ATOM 177 NE ARG A 13 -5.979 -0.287 3.166 1.00 0.00 N ATOM 178 CZ ARG A 13 -7.095 -0.975 3.390 1.00 0.00 C ATOM 179 NH1 ARG A 13 -7.316 -1.526 4.579 1.00 0.00 N ATOM 180 NH2 ARG A 13 -7.983 -1.137 2.418 1.00 0.00 N ATOM 0 H ARG A 13 -1.695 2.477 3.721 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.695 3.643 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.541 0.891 4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.638 1.148 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.390 1.940 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.293 1.793 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.056 -0.667 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.284 -0.470 5.131 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.843 0.123 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.628 -1.422 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.174 -2.053 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.810 -0.734 1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.838 -1.665 2.591 1.00 0.00 H new ATOM 194 N VAL A 14 -0.906 3.074 6.875 1.00 0.00 N ATOM 195 CA VAL A 14 -0.199 3.223 8.148 1.00 0.00 C ATOM 196 C VAL A 14 0.473 4.597 8.252 1.00 0.00 C ATOM 197 O VAL A 14 0.095 5.429 9.076 1.00 0.00 O ATOM 198 CB VAL A 14 0.879 2.129 8.327 1.00 0.00 C ATOM 199 CG1 VAL A 14 1.062 1.793 9.797 1.00 0.00 C ATOM 200 CG2 VAL A 14 0.531 0.880 7.529 1.00 0.00 C ATOM 0 H VAL A 14 -0.299 2.896 6.075 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.947 3.123 8.935 1.00 0.00 H new ATOM 0 HB VAL A 14 1.821 2.520 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.825 1.021 9.902 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.373 2.686 10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.120 1.430 10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.307 0.128 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.426 0.485 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.463 1.132 6.471 1.00 0.00 H new ATOM 210 N CYS A 15 1.467 4.811 7.403 1.00 0.00 N ATOM 211 CA CYS A 15 2.256 6.041 7.356 1.00 0.00 C ATOM 212 C CYS A 15 1.568 7.210 6.646 1.00 0.00 C ATOM 213 O CYS A 15 2.110 8.316 6.619 1.00 0.00 O ATOM 214 CB CYS A 15 3.593 5.656 6.735 1.00 0.00 C ATOM 215 SG CYS A 15 3.483 4.010 5.962 1.00 0.00 S ATOM 0 H CYS A 15 1.757 4.121 6.710 1.00 0.00 H new ATOM 0 HA CYS A 15 2.390 6.437 8.363 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.882 6.397 5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.370 5.655 7.500 1.00 0.00 H new ATOM 220 N LYS A 16 0.289 7.012 6.317 1.00 0.00 N ATOM 221 CA LYS A 16 -0.602 8.083 5.845 1.00 0.00 C ATOM 222 C LYS A 16 0.086 9.062 4.896 1.00 0.00 C ATOM 223 O LYS A 16 -0.051 10.280 5.032 1.00 0.00 O ATOM 224 CB LYS A 16 -1.180 8.840 7.040 1.00 0.00 C ATOM 225 CG LYS A 16 -2.237 8.060 7.797 1.00 0.00 C ATOM 226 CD LYS A 16 -2.933 8.927 8.829 1.00 0.00 C ATOM 227 CE LYS A 16 -3.413 8.106 10.013 1.00 0.00 C ATOM 228 NZ LYS A 16 -4.891 8.149 10.150 1.00 0.00 N ATOM 0 H LYS A 16 -0.163 6.099 6.370 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.400 7.603 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.370 9.097 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.612 9.778 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.972 7.666 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.776 7.204 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.249 9.702 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.781 9.433 8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.089 7.072 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.952 8.481 10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.181 7.577 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.198 9.133 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.331 7.767 9.288 1.00 0.00 H new ATOM 242 N ASP A 17 0.851 8.531 3.967 1.00 0.00 N ATOM 243 CA ASP A 17 1.580 9.359 3.020 1.00 0.00 C ATOM 244 C ASP A 17 1.108 9.091 1.602 1.00 0.00 C ATOM 245 O ASP A 17 0.397 8.115 1.350 1.00 0.00 O ATOM 246 CB ASP A 17 3.083 9.097 3.121 1.00 0.00 C ATOM 247 CG ASP A 17 3.427 7.653 2.868 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.309 6.838 3.804 1.00 0.00 O ATOM 249 OD2 ASP A 17 3.816 7.317 1.735 1.00 0.00 O ATOM 0 H ASP A 17 0.987 7.528 3.844 1.00 0.00 H new ATOM 0 HA ASP A 17 1.386 10.403 3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.609 9.725 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.434 9.384 4.112 1.00 0.00 H new ATOM 254 N GLY A 18 1.505 9.966 0.688 1.00 0.00 N ATOM 255 CA GLY A 18 1.136 9.821 -0.703 1.00 0.00 C ATOM 256 C GLY A 18 2.263 10.229 -1.628 1.00 0.00 C ATOM 257 O GLY A 18 3.405 10.385 -1.193 1.00 0.00 O ATOM 0 H GLY A 18 2.083 10.782 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.861 8.785 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.256 10.430 -0.911 1.00 0.00 H new ATOM 261 N GLY A 19 1.947 10.418 -2.898 1.00 0.00 N ATOM 262 CA GLY A 19 2.957 10.816 -3.859 1.00 0.00 C ATOM 263 C GLY A 19 3.419 9.655 -4.708 1.00 0.00 C ATOM 264 O GLY A 19 2.626 9.068 -5.452 1.00 0.00 O ATOM 0 H GLY A 19 1.009 10.303 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.556 11.599 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.811 11.242 -3.332 1.00 0.00 H new ATOM 268 N GLU A 20 4.673 9.258 -4.536 1.00 0.00 N ATOM 269 CA GLU A 20 5.207 8.098 -5.236 1.00 0.00 C ATOM 270 C GLU A 20 4.803 6.824 -4.505 1.00 0.00 C ATOM 271 O GLU A 20 5.631 6.126 -3.920 1.00 0.00 O ATOM 272 CB GLU A 20 6.729 8.194 -5.364 1.00 0.00 C ATOM 273 CG GLU A 20 7.198 9.001 -6.569 1.00 0.00 C ATOM 274 CD GLU A 20 6.064 9.438 -7.479 1.00 0.00 C ATOM 275 OE1 GLU A 20 5.649 8.640 -8.349 1.00 0.00 O ATOM 276 OE2 GLU A 20 5.581 10.580 -7.328 1.00 0.00 O ATOM 0 H GLU A 20 5.339 9.722 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 20 4.791 8.072 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.132 8.646 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.142 7.188 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.735 9.883 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.906 8.404 -7.144 1.00 0.00 H new ATOM 283 N LEU A 21 3.501 6.602 -4.464 1.00 0.00 N ATOM 284 CA LEU A 21 2.915 5.495 -3.733 1.00 0.00 C ATOM 285 C LEU A 21 2.890 4.231 -4.585 1.00 0.00 C ATOM 286 O LEU A 21 2.394 4.241 -5.712 1.00 0.00 O ATOM 287 CB LEU A 21 1.490 5.874 -3.324 1.00 0.00 C ATOM 288 CG LEU A 21 1.147 5.734 -1.838 1.00 0.00 C ATOM 289 CD1 LEU A 21 2.329 6.091 -0.954 1.00 0.00 C ATOM 290 CD2 LEU A 21 -0.051 6.604 -1.503 1.00 0.00 C ATOM 0 H LEU A 21 2.817 7.190 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 21 3.519 5.293 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.314 6.908 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.796 5.257 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 21 0.900 4.690 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.047 5.980 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.164 5.427 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.625 7.123 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.291 6.501 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.183 7.646 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.907 6.291 -2.101 1.00 0.00 H new ATOM 302 N LEU A 22 3.335 3.130 -4.004 1.00 0.00 N ATOM 303 CA LEU A 22 3.249 1.831 -4.653 1.00 0.00 C ATOM 304 C LEU A 22 1.878 1.227 -4.373 1.00 0.00 C ATOM 305 O LEU A 22 1.520 0.996 -3.220 1.00 0.00 O ATOM 306 CB LEU A 22 4.369 0.912 -4.153 1.00 0.00 C ATOM 307 CG LEU A 22 4.143 -0.586 -4.369 1.00 0.00 C ATOM 308 CD1 LEU A 22 4.385 -0.964 -5.821 1.00 0.00 C ATOM 309 CD2 LEU A 22 5.052 -1.388 -3.449 1.00 0.00 C ATOM 0 H LEU A 22 3.762 3.109 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 22 3.373 1.947 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.297 1.196 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.511 1.089 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 22 3.106 -0.819 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.219 -2.033 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.698 -0.409 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.412 -0.721 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.884 -2.453 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.093 -1.148 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.831 -1.138 -2.411 1.00 0.00 H new ATOM 321 N CYS A 23 1.050 1.169 -5.401 1.00 0.00 N ATOM 322 CA CYS A 23 -0.344 0.790 -5.233 1.00 0.00 C ATOM 323 C CYS A 23 -0.539 -0.720 -5.295 1.00 0.00 C ATOM 324 O CYS A 23 0.266 -1.437 -5.893 1.00 0.00 O ATOM 325 CB CYS A 23 -1.193 1.459 -6.314 1.00 0.00 C ATOM 326 SG CYS A 23 -0.269 2.611 -7.356 1.00 0.00 S ATOM 0 H CYS A 23 1.318 1.380 -6.362 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.659 1.125 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.636 0.688 -6.945 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.016 1.993 -5.838 1.00 0.00 H new ATOM 0 HG CYS A 23 0.586 3.266 -6.627 1.00 0.00 H new ATOM 332 N CYS A 24 -1.676 -1.164 -4.770 1.00 0.00 N ATOM 333 CA CYS A 24 -2.096 -2.553 -4.848 1.00 0.00 C ATOM 334 C CYS A 24 -2.480 -2.906 -6.285 1.00 0.00 C ATOM 335 O CYS A 24 -2.185 -2.170 -7.230 1.00 0.00 O ATOM 336 CB CYS A 24 -3.303 -2.749 -3.919 1.00 0.00 C ATOM 337 SG CYS A 24 -3.718 -4.472 -3.480 1.00 0.00 S ATOM 0 H CYS A 24 -2.335 -0.563 -4.275 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.279 -3.205 -4.541 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.118 -2.197 -2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.175 -2.297 -4.392 1.00 0.00 H new ATOM 342 N ASP A 25 -3.230 -3.976 -6.428 1.00 0.00 N ATOM 343 CA ASP A 25 -3.751 -4.371 -7.727 1.00 0.00 C ATOM 344 C ASP A 25 -5.246 -4.655 -7.630 1.00 0.00 C ATOM 345 O ASP A 25 -5.999 -4.412 -8.573 1.00 0.00 O ATOM 346 CB ASP A 25 -2.992 -5.594 -8.269 1.00 0.00 C ATOM 347 CG ASP A 25 -3.860 -6.537 -9.085 1.00 0.00 C ATOM 348 OD1 ASP A 25 -4.108 -6.258 -10.278 1.00 0.00 O ATOM 349 OD2 ASP A 25 -4.292 -7.571 -8.535 1.00 0.00 O ATOM 0 H ASP A 25 -3.496 -4.593 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.602 -3.549 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.162 -5.251 -8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.561 -6.143 -7.432 1.00 0.00 H new ATOM 354 N THR A 26 -5.682 -5.138 -6.476 1.00 0.00 N ATOM 355 CA THR A 26 -7.085 -5.456 -6.285 1.00 0.00 C ATOM 356 C THR A 26 -7.810 -4.341 -5.530 1.00 0.00 C ATOM 357 O THR A 26 -9.036 -4.230 -5.607 1.00 0.00 O ATOM 358 CB THR A 26 -7.273 -6.816 -5.561 1.00 0.00 C ATOM 359 OG1 THR A 26 -7.909 -6.637 -4.290 1.00 0.00 O ATOM 360 CG2 THR A 26 -5.942 -7.534 -5.371 1.00 0.00 C ATOM 0 H THR A 26 -5.089 -5.316 -5.666 1.00 0.00 H new ATOM 0 HA THR A 26 -7.530 -5.542 -7.276 1.00 0.00 H new ATOM 0 HB THR A 26 -7.912 -7.431 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.232 -6.430 -3.612 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.110 -8.483 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.487 -7.721 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.276 -6.913 -4.772 1.00 0.00 H new ATOM 368 N CYS A 27 -7.053 -3.454 -4.892 1.00 0.00 N ATOM 369 CA CYS A 27 -7.642 -2.310 -4.217 1.00 0.00 C ATOM 370 C CYS A 27 -6.807 -1.053 -4.473 1.00 0.00 C ATOM 371 O CYS A 27 -5.713 -1.135 -5.026 1.00 0.00 O ATOM 372 CB CYS A 27 -7.777 -2.593 -2.714 1.00 0.00 C ATOM 373 SG CYS A 27 -6.255 -2.341 -1.745 1.00 0.00 S ATOM 0 H CYS A 27 -6.036 -3.507 -4.830 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.640 -2.136 -4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.559 -1.952 -2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.108 -3.623 -2.582 1.00 0.00 H new ATOM 378 N PRO A 28 -7.362 0.139 -4.192 1.00 0.00 N ATOM 379 CA PRO A 28 -6.685 1.409 -4.472 1.00 0.00 C ATOM 380 C PRO A 28 -5.708 1.823 -3.373 1.00 0.00 C ATOM 381 O PRO A 28 -5.072 2.874 -3.462 1.00 0.00 O ATOM 382 CB PRO A 28 -7.842 2.401 -4.546 1.00 0.00 C ATOM 383 CG PRO A 28 -8.860 1.847 -3.610 1.00 0.00 C ATOM 384 CD PRO A 28 -8.739 0.350 -3.705 1.00 0.00 C ATOM 0 HA PRO A 28 -6.077 1.351 -5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.529 3.401 -4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.235 2.480 -5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.680 2.189 -2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.862 2.176 -3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.899 -0.127 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.475 -0.068 -4.392 1.00 0.00 H new ATOM 392 N SER A 29 -5.574 0.991 -2.346 1.00 0.00 N ATOM 393 CA SER A 29 -4.653 1.282 -1.255 1.00 0.00 C ATOM 394 C SER A 29 -3.212 1.230 -1.751 1.00 0.00 C ATOM 395 O SER A 29 -2.848 0.364 -2.547 1.00 0.00 O ATOM 396 CB SER A 29 -4.859 0.295 -0.105 1.00 0.00 C ATOM 397 OG SER A 29 -6.229 -0.069 0.020 1.00 0.00 O ATOM 0 H SER A 29 -6.088 0.116 -2.247 1.00 0.00 H new ATOM 0 HA SER A 29 -4.857 2.287 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.257 -0.597 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.512 0.741 0.827 1.00 0.00 H new ATOM 0 HG SER A 29 -6.355 -0.984 -0.307 1.00 0.00 H new ATOM 403 N SER A 30 -2.412 2.206 -1.349 1.00 0.00 N ATOM 404 CA SER A 30 -1.032 2.276 -1.795 1.00 0.00 C ATOM 405 C SER A 30 -0.091 2.516 -0.619 1.00 0.00 C ATOM 406 O SER A 30 -0.541 2.797 0.491 1.00 0.00 O ATOM 407 CB SER A 30 -0.870 3.368 -2.849 1.00 0.00 C ATOM 408 OG SER A 30 -2.124 3.742 -3.401 1.00 0.00 O ATOM 0 H SER A 30 -2.694 2.956 -0.718 1.00 0.00 H new ATOM 0 HA SER A 30 -0.768 1.319 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.392 4.240 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.211 3.016 -3.643 1.00 0.00 H new ATOM 0 HG SER A 30 -1.999 4.039 -4.326 1.00 0.00 H new ATOM 414 N TYR A 31 1.192 2.241 -0.828 1.00 0.00 N ATOM 415 CA TYR A 31 2.157 2.256 0.260 1.00 0.00 C ATOM 416 C TYR A 31 3.521 2.787 -0.190 1.00 0.00 C ATOM 417 O TYR A 31 3.742 3.051 -1.371 1.00 0.00 O ATOM 418 CB TYR A 31 2.329 0.831 0.804 1.00 0.00 C ATOM 419 CG TYR A 31 1.148 0.321 1.596 1.00 0.00 C ATOM 420 CD1 TYR A 31 1.031 0.580 2.956 1.00 0.00 C ATOM 421 CD2 TYR A 31 0.154 -0.428 0.983 1.00 0.00 C ATOM 422 CE1 TYR A 31 -0.043 0.103 3.679 1.00 0.00 C ATOM 423 CE2 TYR A 31 -0.923 -0.903 1.699 1.00 0.00 C ATOM 424 CZ TYR A 31 -1.015 -0.636 3.045 1.00 0.00 C ATOM 425 OH TYR A 31 -2.082 -1.113 3.759 1.00 0.00 O ATOM 0 H TYR A 31 1.585 2.006 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 31 1.775 2.922 1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.510 0.155 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.216 0.801 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.791 1.163 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.226 -0.642 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.120 0.309 4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.690 -1.482 1.206 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.808 -1.279 4.685 1.00 0.00 H new ATOM 435 N HIS A 32 4.473 2.713 0.735 1.00 0.00 N ATOM 436 CA HIS A 32 5.890 2.889 0.441 1.00 0.00 C ATOM 437 C HIS A 32 6.384 1.560 -0.141 1.00 0.00 C ATOM 438 O HIS A 32 5.626 0.842 -0.790 1.00 0.00 O ATOM 439 CB HIS A 32 6.693 3.166 1.738 1.00 0.00 C ATOM 440 CG HIS A 32 6.669 4.562 2.303 1.00 0.00 C ATOM 441 ND1 HIS A 32 5.691 4.978 3.181 1.00 0.00 N ATOM 442 CD2 HIS A 32 7.614 5.530 2.218 1.00 0.00 C ATOM 443 CE1 HIS A 32 6.063 6.166 3.612 1.00 0.00 C ATOM 444 NE2 HIS A 32 7.225 6.549 3.055 1.00 0.00 N ATOM 0 H HIS A 32 4.280 2.527 1.719 1.00 0.00 H new ATOM 0 HA HIS A 32 6.027 3.728 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.326 2.488 2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.733 2.901 1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.505 5.505 1.608 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.505 6.757 4.323 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.721 7.425 3.221 1.00 0.00 H new ATOM 452 N ILE A 33 7.547 1.118 0.316 1.00 0.00 N ATOM 453 CA ILE A 33 7.993 -0.241 0.060 1.00 0.00 C ATOM 454 C ILE A 33 8.422 -0.906 1.372 1.00 0.00 C ATOM 455 O ILE A 33 9.143 -1.901 1.373 1.00 0.00 O ATOM 456 CB ILE A 33 9.150 -0.286 -0.963 1.00 0.00 C ATOM 457 CG1 ILE A 33 10.355 0.509 -0.459 1.00 0.00 C ATOM 458 CG2 ILE A 33 8.678 0.255 -2.302 1.00 0.00 C ATOM 459 CD1 ILE A 33 11.593 0.344 -1.314 1.00 0.00 C ATOM 0 H ILE A 33 8.197 1.681 0.865 1.00 0.00 H new ATOM 0 HA ILE A 33 7.155 -0.789 -0.370 1.00 0.00 H new ATOM 0 HB ILE A 33 9.461 -1.323 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.091 1.566 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.584 0.198 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.499 0.220 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.851 -0.352 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.345 1.286 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.406 0.937 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.883 -0.706 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.382 0.683 -2.328 1.00 0.00 H new ATOM 470 N HIS A 34 8.017 -0.311 2.494 1.00 0.00 N ATOM 471 CA HIS A 34 8.453 -0.789 3.810 1.00 0.00 C ATOM 472 C HIS A 34 7.391 -0.549 4.895 1.00 0.00 C ATOM 473 O HIS A 34 7.688 -0.636 6.089 1.00 0.00 O ATOM 474 CB HIS A 34 9.761 -0.073 4.189 1.00 0.00 C ATOM 475 CG HIS A 34 10.565 -0.754 5.262 1.00 0.00 C ATOM 476 ND1 HIS A 34 11.422 -0.044 6.074 1.00 0.00 N ATOM 477 CD2 HIS A 34 10.599 -2.058 5.623 1.00 0.00 C ATOM 478 CE1 HIS A 34 11.949 -0.928 6.906 1.00 0.00 C ATOM 479 NE2 HIS A 34 11.479 -2.157 6.668 1.00 0.00 N ATOM 0 H HIS A 34 7.393 0.496 2.521 1.00 0.00 H new ATOM 0 HA HIS A 34 8.610 -1.866 3.748 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.379 0.021 3.296 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.523 0.938 4.520 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.040 -2.865 5.174 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.666 -0.688 7.677 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.729 -3.009 7.171 1.00 0.00 H new ATOM 487 N CYS A 35 6.168 -0.208 4.497 1.00 0.00 N ATOM 488 CA CYS A 35 5.114 0.102 5.463 1.00 0.00 C ATOM 489 C CYS A 35 4.607 -1.157 6.167 1.00 0.00 C ATOM 490 O CYS A 35 4.295 -1.137 7.358 1.00 0.00 O ATOM 491 CB CYS A 35 3.946 0.768 4.747 1.00 0.00 C ATOM 492 SG CYS A 35 4.434 1.698 3.264 1.00 0.00 S ATOM 0 H CYS A 35 5.882 -0.139 3.520 1.00 0.00 H new ATOM 0 HA CYS A 35 5.537 0.771 6.212 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.221 0.004 4.464 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.444 1.443 5.440 1.00 0.00 H new ATOM 497 N LEU A 36 4.411 -2.207 5.388 1.00 0.00 N ATOM 498 CA LEU A 36 3.795 -3.428 5.887 1.00 0.00 C ATOM 499 C LEU A 36 4.826 -4.359 6.516 1.00 0.00 C ATOM 500 O LEU A 36 6.020 -4.052 6.544 1.00 0.00 O ATOM 501 CB LEU A 36 3.062 -4.147 4.749 1.00 0.00 C ATOM 502 CG LEU A 36 3.592 -3.859 3.339 1.00 0.00 C ATOM 503 CD1 LEU A 36 3.601 -5.128 2.504 1.00 0.00 C ATOM 504 CD2 LEU A 36 2.754 -2.787 2.661 1.00 0.00 C ATOM 0 H LEU A 36 4.671 -2.240 4.402 1.00 0.00 H new ATOM 0 HA LEU A 36 3.080 -3.151 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.116 -5.221 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.008 -3.870 4.786 1.00 0.00 H new ATOM 0 HG LEU A 36 4.615 -3.494 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.980 -4.905 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.242 -5.871 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.587 -5.520 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.146 -2.597 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.721 -3.126 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.794 -1.869 3.247 1.00 0.00 H new ATOM 516 N ARG A 37 4.355 -5.502 7.003 1.00 0.00 N ATOM 517 CA ARG A 37 5.227 -6.503 7.607 1.00 0.00 C ATOM 518 C ARG A 37 6.196 -7.084 6.569 1.00 0.00 C ATOM 519 O ARG A 37 7.409 -7.003 6.758 1.00 0.00 O ATOM 520 CB ARG A 37 4.405 -7.615 8.268 1.00 0.00 C ATOM 521 CG ARG A 37 4.886 -7.977 9.665 1.00 0.00 C ATOM 522 CD ARG A 37 4.730 -6.815 10.628 1.00 0.00 C ATOM 523 NE ARG A 37 6.022 -6.235 11.002 1.00 0.00 N ATOM 524 CZ ARG A 37 6.153 -5.151 11.763 1.00 0.00 C ATOM 525 NH1 ARG A 37 5.075 -4.517 12.208 1.00 0.00 N ATOM 526 NH2 ARG A 37 7.363 -4.692 12.066 1.00 0.00 N ATOM 0 H ARG A 37 3.368 -5.759 6.991 1.00 0.00 H new ATOM 0 HA ARG A 37 5.817 -6.012 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.362 -7.302 8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.439 -8.504 7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.322 -8.834 10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.933 -8.278 9.623 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.106 -6.047 10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.212 -7.154 11.525 1.00 0.00 H new ATOM 0 HE ARG A 37 6.870 -6.688 10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.145 -4.861 11.967 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.176 -3.686 12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.193 -5.171 11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.462 -3.861 12.649 1.00 0.00 H new ATOM 540 N PRO A 38 5.694 -7.621 5.428 1.00 0.00 N ATOM 541 CA PRO A 38 6.559 -8.105 4.347 1.00 0.00 C ATOM 542 C PRO A 38 7.258 -6.947 3.640 1.00 0.00 C ATOM 543 O PRO A 38 6.663 -6.264 2.807 1.00 0.00 O ATOM 544 CB PRO A 38 5.595 -8.820 3.385 1.00 0.00 C ATOM 545 CG PRO A 38 4.298 -8.919 4.117 1.00 0.00 C ATOM 546 CD PRO A 38 4.276 -7.763 5.070 1.00 0.00 C ATOM 0 HA PRO A 38 7.352 -8.757 4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.480 -8.260 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.970 -9.808 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.455 -8.873 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.222 -9.867 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.882 -6.860 4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.655 -7.968 5.942 1.00 0.00 H new ATOM 554 N ALA A 39 8.471 -6.652 4.074 1.00 0.00 N ATOM 555 CA ALA A 39 9.196 -5.500 3.576 1.00 0.00 C ATOM 556 C ALA A 39 9.704 -5.728 2.161 1.00 0.00 C ATOM 557 O ALA A 39 10.356 -6.736 1.875 1.00 0.00 O ATOM 558 CB ALA A 39 10.349 -5.166 4.505 1.00 0.00 C ATOM 0 H ALA A 39 8.975 -7.198 4.773 1.00 0.00 H new ATOM 0 HA ALA A 39 8.506 -4.657 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.886 -4.299 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.962 -4.942 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.028 -6.017 4.563 1.00 0.00 H new ATOM 564 N LEU A 40 9.469 -4.746 1.304 1.00 0.00 N ATOM 565 CA LEU A 40 9.970 -4.783 -0.056 1.00 0.00 C ATOM 566 C LEU A 40 11.318 -4.080 -0.111 1.00 0.00 C ATOM 567 O LEU A 40 11.388 -2.853 -0.139 1.00 0.00 O ATOM 568 CB LEU A 40 8.990 -4.102 -1.023 1.00 0.00 C ATOM 569 CG LEU A 40 7.630 -4.790 -1.206 1.00 0.00 C ATOM 570 CD1 LEU A 40 7.761 -6.302 -1.123 1.00 0.00 C ATOM 571 CD2 LEU A 40 6.631 -4.281 -0.177 1.00 0.00 C ATOM 0 H LEU A 40 8.931 -3.910 1.531 1.00 0.00 H new ATOM 0 HA LEU A 40 10.079 -5.824 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.815 -3.085 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.469 -4.025 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 40 7.260 -4.542 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.781 -6.760 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.435 -6.652 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.161 -6.580 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.673 -4.780 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.002 -4.493 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.502 -3.205 -0.297 1.00 0.00 H new ATOM 583 N TYR A 41 12.388 -4.856 -0.039 1.00 0.00 N ATOM 584 CA TYR A 41 13.733 -4.293 -0.010 1.00 0.00 C ATOM 585 C TYR A 41 14.126 -3.772 -1.385 1.00 0.00 C ATOM 586 O TYR A 41 15.026 -2.941 -1.515 1.00 0.00 O ATOM 587 CB TYR A 41 14.738 -5.336 0.478 1.00 0.00 C ATOM 588 CG TYR A 41 14.531 -5.740 1.921 1.00 0.00 C ATOM 589 CD1 TYR A 41 14.625 -4.807 2.947 1.00 0.00 C ATOM 590 CD2 TYR A 41 14.245 -7.056 2.257 1.00 0.00 C ATOM 591 CE1 TYR A 41 14.438 -5.177 4.266 1.00 0.00 C ATOM 592 CE2 TYR A 41 14.058 -7.433 3.572 1.00 0.00 C ATOM 593 CZ TYR A 41 14.156 -6.491 4.573 1.00 0.00 C ATOM 594 OH TYR A 41 13.977 -6.866 5.887 1.00 0.00 O ATOM 0 H TYR A 41 12.354 -5.875 0.000 1.00 0.00 H new ATOM 0 HA TYR A 41 13.741 -3.455 0.687 1.00 0.00 H new ATOM 0 HB2 TYR A 41 14.667 -6.222 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 41 15.747 -4.941 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 41 14.848 -3.777 2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 41 14.167 -7.798 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 41 14.513 -4.440 5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.836 -8.462 3.815 1.00 0.00 H new ATOM 0 HH TYR A 41 13.784 -7.826 5.930 1.00 0.00 H new ATOM 604 N GLU A 42 13.359 -4.179 -2.381 1.00 0.00 N ATOM 605 CA GLU A 42 13.515 -3.685 -3.739 1.00 0.00 C ATOM 606 C GLU A 42 12.140 -3.423 -4.334 1.00 0.00 C ATOM 607 O GLU A 42 11.141 -3.942 -3.830 1.00 0.00 O ATOM 608 CB GLU A 42 14.281 -4.694 -4.597 1.00 0.00 C ATOM 609 CG GLU A 42 13.944 -6.144 -4.289 1.00 0.00 C ATOM 610 CD GLU A 42 15.177 -6.986 -4.052 1.00 0.00 C ATOM 611 OE1 GLU A 42 15.958 -7.187 -5.007 1.00 0.00 O ATOM 612 OE2 GLU A 42 15.374 -7.455 -2.913 1.00 0.00 O ATOM 0 H GLU A 42 12.609 -4.862 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 42 14.088 -2.758 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.070 -4.497 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.351 -4.541 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.304 -6.186 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.374 -6.565 -5.117 1.00 0.00 H new ATOM 619 N VAL A 43 12.082 -2.615 -5.384 1.00 0.00 N ATOM 620 CA VAL A 43 10.809 -2.289 -6.022 1.00 0.00 C ATOM 621 C VAL A 43 10.206 -3.527 -6.683 1.00 0.00 C ATOM 622 O VAL A 43 10.824 -4.144 -7.555 1.00 0.00 O ATOM 623 CB VAL A 43 10.945 -1.164 -7.073 1.00 0.00 C ATOM 624 CG1 VAL A 43 9.868 -0.109 -6.859 1.00 0.00 C ATOM 625 CG2 VAL A 43 12.326 -0.525 -7.029 1.00 0.00 C ATOM 0 H VAL A 43 12.896 -2.174 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 43 10.149 -1.932 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 43 10.815 -1.610 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.976 0.677 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.884 -0.569 -6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.972 0.320 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.387 0.262 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 43 12.498 -0.097 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.084 -1.282 -7.233 1.00 0.00 H new ATOM 635 N PRO A 44 9.030 -3.959 -6.207 1.00 0.00 N ATOM 636 CA PRO A 44 8.378 -5.175 -6.689 1.00 0.00 C ATOM 637 C PRO A 44 7.619 -4.956 -7.994 1.00 0.00 C ATOM 638 O PRO A 44 6.393 -4.841 -8.004 1.00 0.00 O ATOM 639 CB PRO A 44 7.420 -5.526 -5.552 1.00 0.00 C ATOM 640 CG PRO A 44 7.074 -4.216 -4.933 1.00 0.00 C ATOM 641 CD PRO A 44 8.282 -3.333 -5.101 1.00 0.00 C ATOM 0 HA PRO A 44 9.095 -5.963 -6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.531 -6.035 -5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.890 -6.194 -4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.202 -3.776 -5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.826 -4.338 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.997 -2.309 -5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.877 -3.293 -4.189 1.00 0.00 H new ATOM 649 N ASP A 45 8.355 -4.906 -9.095 1.00 0.00 N ATOM 650 CA ASP A 45 7.750 -4.732 -10.410 1.00 0.00 C ATOM 651 C ASP A 45 6.962 -5.976 -10.796 1.00 0.00 C ATOM 652 O ASP A 45 7.440 -7.099 -10.619 1.00 0.00 O ATOM 653 CB ASP A 45 8.821 -4.443 -11.466 1.00 0.00 C ATOM 654 CG ASP A 45 8.300 -4.613 -12.881 1.00 0.00 C ATOM 655 OD1 ASP A 45 7.421 -3.829 -13.292 1.00 0.00 O ATOM 656 OD2 ASP A 45 8.764 -5.534 -13.585 1.00 0.00 O ATOM 0 H ASP A 45 9.372 -4.983 -9.105 1.00 0.00 H new ATOM 0 HA ASP A 45 7.071 -3.881 -10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.189 -3.425 -11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.669 -5.110 -11.311 1.00 0.00 H new ATOM 661 N GLY A 46 5.745 -5.776 -11.279 1.00 0.00 N ATOM 662 CA GLY A 46 4.900 -6.891 -11.651 1.00 0.00 C ATOM 663 C GLY A 46 3.543 -6.815 -10.989 1.00 0.00 C ATOM 664 O GLY A 46 2.913 -5.755 -10.977 1.00 0.00 O ATOM 0 H GLY A 46 5.326 -4.857 -11.420 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.775 -6.907 -12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.388 -7.825 -11.373 1.00 0.00 H new ATOM 668 N GLU A 47 3.114 -7.918 -10.395 1.00 0.00 N ATOM 669 CA GLU A 47 1.847 -7.954 -9.680 1.00 0.00 C ATOM 670 C GLU A 47 2.083 -7.863 -8.177 1.00 0.00 C ATOM 671 O GLU A 47 2.498 -8.837 -7.544 1.00 0.00 O ATOM 672 CB GLU A 47 1.072 -9.234 -10.003 1.00 0.00 C ATOM 673 CG GLU A 47 1.079 -9.609 -11.475 1.00 0.00 C ATOM 674 CD GLU A 47 1.492 -11.046 -11.706 1.00 0.00 C ATOM 675 OE1 GLU A 47 0.834 -11.957 -11.161 1.00 0.00 O ATOM 676 OE2 GLU A 47 2.483 -11.273 -12.427 1.00 0.00 O ATOM 0 H GLU A 47 3.625 -8.801 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 47 1.255 -7.098 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.495 -10.057 -9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.040 -9.113 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.085 -9.449 -11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.760 -8.948 -12.012 1.00 0.00 H new ATOM 683 N TRP A 48 1.798 -6.705 -7.606 1.00 0.00 N ATOM 684 CA TRP A 48 1.946 -6.505 -6.173 1.00 0.00 C ATOM 685 C TRP A 48 0.581 -6.322 -5.526 1.00 0.00 C ATOM 686 O TRP A 48 -0.323 -5.723 -6.113 1.00 0.00 O ATOM 687 CB TRP A 48 2.837 -5.290 -5.883 1.00 0.00 C ATOM 688 CG TRP A 48 3.161 -5.132 -4.426 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.089 -5.834 -3.713 1.00 0.00 C ATOM 690 CD2 TRP A 48 2.550 -4.224 -3.503 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.094 -5.416 -2.405 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.160 -4.428 -2.249 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.552 -3.256 -3.613 1.00 0.00 C ATOM 694 CZ2 TRP A 48 2.798 -3.701 -1.118 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.194 -2.534 -2.490 1.00 0.00 C ATOM 696 CH2 TRP A 48 1.817 -2.760 -1.257 1.00 0.00 C ATOM 0 H TRP A 48 1.462 -5.887 -8.114 1.00 0.00 H new ATOM 0 HA TRP A 48 2.423 -7.389 -5.750 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.765 -5.384 -6.447 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.338 -4.388 -6.238 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.727 -6.606 -4.118 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.697 -5.783 -1.668 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.067 -3.073 -4.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.275 -3.875 -0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.421 -1.783 -2.565 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.516 -2.179 -0.398 1.00 0.00 H new ATOM 707 N GLN A 49 0.421 -6.881 -4.337 1.00 0.00 N ATOM 708 CA GLN A 49 -0.831 -6.777 -3.605 1.00 0.00 C ATOM 709 C GLN A 49 -0.563 -6.335 -2.173 1.00 0.00 C ATOM 710 O GLN A 49 0.426 -6.751 -1.561 1.00 0.00 O ATOM 711 CB GLN A 49 -1.586 -8.113 -3.602 1.00 0.00 C ATOM 712 CG GLN A 49 -1.110 -9.100 -4.658 1.00 0.00 C ATOM 713 CD GLN A 49 -2.054 -9.185 -5.841 1.00 0.00 C ATOM 714 OE1 GLN A 49 -2.646 -10.232 -6.107 1.00 0.00 O ATOM 715 NE2 GLN A 49 -2.200 -8.086 -6.560 1.00 0.00 N ATOM 0 H GLN A 49 1.146 -7.414 -3.857 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.452 -6.034 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.485 -8.573 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.647 -7.918 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.121 -8.804 -5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.007 -10.087 -4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.691 -7.239 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.821 -8.085 -7.369 1.00 0.00 H new ATOM 724 N CYS A 50 -1.429 -5.478 -1.655 1.00 0.00 N ATOM 725 CA CYS A 50 -1.293 -4.969 -0.299 1.00 0.00 C ATOM 726 C CYS A 50 -1.488 -6.091 0.732 1.00 0.00 C ATOM 727 O CYS A 50 -1.972 -7.172 0.394 1.00 0.00 O ATOM 728 CB CYS A 50 -2.321 -3.864 -0.070 1.00 0.00 C ATOM 729 SG CYS A 50 -4.001 -4.483 0.241 1.00 0.00 S ATOM 0 H CYS A 50 -2.240 -5.118 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.287 -4.568 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.005 -3.256 0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.340 -3.211 -0.942 1.00 0.00 H new ATOM 734 N PRO A 51 -1.138 -5.845 2.012 1.00 0.00 N ATOM 735 CA PRO A 51 -1.295 -6.836 3.085 1.00 0.00 C ATOM 736 C PRO A 51 -2.763 -7.144 3.412 1.00 0.00 C ATOM 737 O PRO A 51 -3.050 -8.034 4.213 1.00 0.00 O ATOM 738 CB PRO A 51 -0.610 -6.180 4.287 1.00 0.00 C ATOM 739 CG PRO A 51 -0.653 -4.721 4.002 1.00 0.00 C ATOM 740 CD PRO A 51 -0.543 -4.590 2.509 1.00 0.00 C ATOM 0 HA PRO A 51 -0.867 -7.797 2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.129 -6.417 5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.416 -6.531 4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.581 -4.279 4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.165 -4.201 4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.082 -3.717 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.494 -4.483 2.190 1.00 0.00 H new ATOM 748 N ARG A 52 -3.688 -6.444 2.767 1.00 0.00 N ATOM 749 CA ARG A 52 -5.105 -6.705 2.968 1.00 0.00 C ATOM 750 C ARG A 52 -5.614 -7.695 1.926 1.00 0.00 C ATOM 751 O ARG A 52 -6.181 -8.734 2.273 1.00 0.00 O ATOM 752 CB ARG A 52 -5.910 -5.409 2.903 1.00 0.00 C ATOM 753 CG ARG A 52 -7.027 -5.338 3.931 1.00 0.00 C ATOM 754 CD ARG A 52 -8.393 -5.310 3.265 1.00 0.00 C ATOM 755 NE ARG A 52 -8.932 -6.653 3.062 1.00 0.00 N ATOM 756 CZ ARG A 52 -9.314 -7.129 1.875 1.00 0.00 C ATOM 757 NH1 ARG A 52 -9.225 -6.365 0.792 1.00 0.00 N ATOM 758 NH2 ARG A 52 -9.772 -8.367 1.769 1.00 0.00 N ATOM 0 H ARG A 52 -3.483 -5.696 2.105 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.235 -7.140 3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.237 -4.564 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.337 -5.306 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.964 -6.197 4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.902 -4.446 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.083 -4.731 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.317 -4.801 2.304 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.022 -7.262 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.864 -5.414 0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.517 -6.730 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.834 -8.960 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.063 -8.727 0.860 1.00 0.00 H new ATOM 772 N CYS A 53 -5.337 -7.404 0.655 1.00 0.00 N ATOM 773 CA CYS A 53 -5.709 -8.305 -0.431 1.00 0.00 C ATOM 774 C CYS A 53 -4.745 -9.485 -0.489 1.00 0.00 C ATOM 775 O CYS A 53 -5.109 -10.614 -0.157 1.00 0.00 O ATOM 776 CB CYS A 53 -5.704 -7.562 -1.774 1.00 0.00 C ATOM 777 SG CYS A 53 -6.650 -6.004 -1.780 1.00 0.00 S ATOM 0 H CYS A 53 -4.858 -6.555 0.355 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.716 -8.676 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.672 -7.347 -2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.110 -8.222 -2.541 1.00 0.00 H new ATOM 782 N THR A 54 -3.502 -9.175 -0.850 1.00 0.00 N ATOM 783 CA THR A 54 -2.412 -10.145 -0.936 1.00 0.00 C ATOM 784 C THR A 54 -2.844 -11.457 -1.603 1.00 0.00 C ATOM 785 O THR A 54 -3.066 -11.499 -2.814 1.00 0.00 O ATOM 786 CB THR A 54 -1.791 -10.424 0.449 1.00 0.00 C ATOM 787 OG1 THR A 54 -2.442 -9.632 1.451 1.00 0.00 O ATOM 788 CG2 THR A 54 -0.305 -10.102 0.437 1.00 0.00 C ATOM 0 H THR A 54 -3.219 -8.226 -1.095 1.00 0.00 H new ATOM 0 HA THR A 54 -1.651 -9.691 -1.571 1.00 0.00 H new ATOM 0 HB THR A 54 -1.926 -11.481 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.270 -8.682 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.119 -10.304 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.195 -10.721 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.163 -9.050 0.189 1.00 0.00 H new ATOM 796 N CYS A 55 -2.958 -12.522 -0.821 1.00 0.00 N ATOM 797 CA CYS A 55 -3.330 -13.818 -1.354 1.00 0.00 C ATOM 798 C CYS A 55 -4.650 -14.283 -0.749 1.00 0.00 C ATOM 799 O CYS A 55 -4.717 -14.621 0.435 1.00 0.00 O ATOM 800 CB CYS A 55 -2.223 -14.835 -1.069 1.00 0.00 C ATOM 801 SG CYS A 55 -0.635 -14.085 -0.632 1.00 0.00 S ATOM 0 H CYS A 55 -2.797 -12.510 0.186 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.460 -13.732 -2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.542 -15.487 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.087 -15.465 -1.948 1.00 0.00 H new ATOM 0 HG CYS A 55 0.239 -15.020 -0.406 1.00 0.00 H new ATOM 807 N PRO A 56 -5.734 -14.234 -1.533 1.00 0.00 N ATOM 808 CA PRO A 56 -7.069 -14.605 -1.068 1.00 0.00 C ATOM 809 C PRO A 56 -7.230 -16.116 -0.951 1.00 0.00 C ATOM 810 O PRO A 56 -7.911 -16.745 -1.768 1.00 0.00 O ATOM 811 CB PRO A 56 -8.011 -14.046 -2.146 1.00 0.00 C ATOM 812 CG PRO A 56 -7.157 -13.198 -3.027 1.00 0.00 C ATOM 813 CD PRO A 56 -5.766 -13.747 -2.914 1.00 0.00 C ATOM 0 HA PRO A 56 -7.275 -14.210 -0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.480 -14.851 -2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.815 -13.461 -1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.507 -13.233 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.190 -12.154 -2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.585 -14.547 -3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.011 -12.982 -3.093 1.00 0.00 H new ATOM 821 N ALA A 57 -6.584 -16.696 0.054 1.00 0.00 N ATOM 822 CA ALA A 57 -6.646 -18.135 0.288 1.00 0.00 C ATOM 823 C ALA A 57 -8.084 -18.579 0.528 1.00 0.00 C ATOM 824 O ALA A 57 -8.517 -19.619 0.032 1.00 0.00 O ATOM 825 CB ALA A 57 -5.768 -18.517 1.469 1.00 0.00 C ATOM 0 H ALA A 57 -6.007 -16.188 0.725 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.274 -18.645 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.825 -19.593 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.736 -18.235 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.113 -17.997 2.362 1.00 0.00 H new ATOM 831 N LEU A 58 -8.833 -17.752 1.242 1.00 0.00 N ATOM 832 CA LEU A 58 -10.245 -18.005 1.487 1.00 0.00 C ATOM 833 C LEU A 58 -11.030 -16.706 1.368 1.00 0.00 C ATOM 834 O LEU A 58 -12.171 -16.605 1.825 1.00 0.00 O ATOM 835 CB LEU A 58 -10.452 -18.624 2.871 1.00 0.00 C ATOM 836 CG LEU A 58 -11.268 -19.915 2.884 1.00 0.00 C ATOM 837 CD1 LEU A 58 -10.616 -20.944 3.790 1.00 0.00 C ATOM 838 CD2 LEU A 58 -12.693 -19.636 3.329 1.00 0.00 C ATOM 0 H LEU A 58 -8.482 -16.893 1.665 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.607 -18.712 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.476 -18.824 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.947 -17.892 3.510 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.297 -20.318 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.210 -21.858 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.611 -21.163 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.558 -20.551 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.262 -20.566 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.684 -19.212 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.157 -18.930 2.641 1.00 0.00 H new ATOM 850 N LYS A 59 -10.381 -15.708 0.768 1.00 0.00 N ATOM 851 CA LYS A 59 -10.961 -14.378 0.587 1.00 0.00 C ATOM 852 C LYS A 59 -11.271 -13.729 1.932 1.00 0.00 C ATOM 853 O LYS A 59 -12.365 -13.204 2.150 1.00 0.00 O ATOM 854 CB LYS A 59 -12.221 -14.445 -0.279 1.00 0.00 C ATOM 855 CG LYS A 59 -12.261 -13.399 -1.379 1.00 0.00 C ATOM 856 CD LYS A 59 -13.669 -12.876 -1.602 1.00 0.00 C ATOM 857 CE LYS A 59 -13.851 -11.488 -1.013 1.00 0.00 C ATOM 858 NZ LYS A 59 -14.974 -11.440 -0.038 1.00 0.00 N ATOM 0 H LYS A 59 -9.437 -15.800 0.393 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.224 -13.761 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.290 -15.435 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.097 -14.323 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.602 -12.571 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.881 -13.830 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.882 -12.849 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.387 -13.560 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.929 -11.180 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.037 -10.775 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.064 -10.475 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.859 -11.709 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.785 -12.102 0.742 1.00 0.00 H new ATOM 872 N GLY A 60 -10.290 -13.740 2.822 1.00 0.00 N ATOM 873 CA GLY A 60 -10.459 -13.128 4.122 1.00 0.00 C ATOM 874 C GLY A 60 -9.982 -14.021 5.245 1.00 0.00 C ATOM 875 O GLY A 60 -9.327 -13.566 6.183 1.00 0.00 O ATOM 0 H GLY A 60 -9.376 -14.164 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.910 -12.187 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.511 -12.888 4.274 1.00 0.00 H new ATOM 879 N LYS A 61 -10.309 -15.299 5.146 1.00 0.00 N ATOM 880 CA LYS A 61 -9.910 -16.267 6.154 1.00 0.00 C ATOM 881 C LYS A 61 -8.486 -16.751 5.899 1.00 0.00 C ATOM 882 O LYS A 61 -7.915 -16.398 4.845 1.00 0.00 O ATOM 883 CB LYS A 61 -10.875 -17.452 6.163 1.00 0.00 C ATOM 884 CG LYS A 61 -11.967 -17.337 7.213 1.00 0.00 C ATOM 885 CD LYS A 61 -12.412 -18.704 7.705 1.00 0.00 C ATOM 886 CE LYS A 61 -11.428 -19.281 8.710 1.00 0.00 C ATOM 887 NZ LYS A 61 -10.920 -20.613 8.289 1.00 0.00 N ATOM 888 OXT LYS A 61 -7.935 -17.469 6.759 1.00 0.00 O ATOM 0 H LYS A 61 -10.851 -15.691 4.376 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.941 -15.780 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.336 -17.542 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.311 -18.368 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.604 -16.747 8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.821 -16.804 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.397 -18.624 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.509 -19.383 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.590 -18.595 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.912 -19.368 9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.252 -20.971 9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.717 -21.275 8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.435 -20.526 7.373 1.00 0.00 H new TER 902 LYS A 61 HETATM 903 ZN ZN A 62 -5.143 -4.319 -1.699 1.00 0.00 ZN HETATM 904 ZN ZN A 63 4.013 3.965 3.681 1.00 0.00 ZN