USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.0958 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -14! C(o=-14!,f=-23!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 86:sc= -3.64 USER MOD Single : A 9 ASN : amide:sc= -0.0244 K(o=-0.024,f=-1.1) USER MOD Single : A 15 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.078) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -162:sc= -2.35! (180deg=-2.82!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 35 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.46) USER MOD Single : A 36 MET CE :methyl 151:sc= -0.62 (180deg=-1.94!) USER MOD Single : A 43 HIS : no HE2:sc= -6.69! C(o=-6.7!,f=-8.6!) USER MOD Single : A 49 TYR OH : rot 7:sc= -4.71! USER MOD Single : A 50 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 51 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.315 -4.699 -9.120 1.00 0.00 N ATOM 2 CA ALA A 1 7.298 -4.727 -8.036 1.00 0.00 C ATOM 3 C ALA A 1 7.857 -4.156 -6.737 1.00 0.00 C ATOM 4 O ALA A 1 9.017 -3.753 -6.667 1.00 0.00 O ATOM 5 CB ALA A 1 6.796 -6.146 -7.818 1.00 0.00 C ATOM 0 H1 ALA A 1 7.980 -4.091 -9.895 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.210 -4.323 -8.747 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.467 -5.663 -9.478 1.00 0.00 H new ATOM 0 HA ALA A 1 6.461 -4.100 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.052 -6.150 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.345 -6.518 -8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.631 -6.788 -7.538 1.00 0.00 H new ATOM 13 N HIS A 2 7.012 -4.121 -5.716 1.00 0.00 N ATOM 14 CA HIS A 2 7.385 -3.601 -4.414 1.00 0.00 C ATOM 15 C HIS A 2 7.140 -4.632 -3.334 1.00 0.00 C ATOM 16 O HIS A 2 7.178 -5.838 -3.583 1.00 0.00 O ATOM 17 CB HIS A 2 6.637 -2.293 -4.158 1.00 0.00 C ATOM 18 CG HIS A 2 7.539 -1.113 -4.311 1.00 0.00 C ATOM 19 ND1 HIS A 2 7.355 -0.144 -5.270 1.00 0.00 N ATOM 20 CD2 HIS A 2 8.667 -0.772 -3.644 1.00 0.00 C ATOM 21 CE1 HIS A 2 8.332 0.742 -5.191 1.00 0.00 C ATOM 22 NE2 HIS A 2 9.141 0.384 -4.211 1.00 0.00 N ATOM 0 H HIS A 2 6.049 -4.453 -5.770 1.00 0.00 H new ATOM 0 HA HIS A 2 8.453 -3.385 -4.395 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.802 -2.207 -4.853 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.216 -2.303 -3.153 1.00 0.00 H new ATOM 0 HD1 HIS A 2 6.585 -0.114 -5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 2 9.111 -1.310 -2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 2 8.449 1.611 -5.821 1.00 0.00 H new ATOM 31 N MET A 3 6.932 -4.154 -2.138 1.00 0.00 N ATOM 32 CA MET A 3 6.726 -5.035 -0.990 1.00 0.00 C ATOM 33 C MET A 3 5.409 -5.806 -1.112 1.00 0.00 C ATOM 34 O MET A 3 4.816 -5.870 -2.188 1.00 0.00 O ATOM 35 CB MET A 3 6.746 -4.220 0.308 1.00 0.00 C ATOM 36 CG MET A 3 7.989 -4.453 1.151 1.00 0.00 C ATOM 37 SD MET A 3 9.394 -3.464 0.604 1.00 0.00 S ATOM 38 CE MET A 3 10.461 -3.565 2.039 1.00 0.00 C ATOM 0 H MET A 3 6.898 -3.158 -1.919 1.00 0.00 H new ATOM 0 HA MET A 3 7.539 -5.761 -0.969 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.676 -3.160 0.063 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.864 -4.470 0.898 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.767 -4.217 2.192 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.256 -5.509 1.113 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.375 -3.000 1.854 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.946 -3.149 2.905 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.712 -4.608 2.233 1.00 0.00 H new ATOM 48 N ASP A 4 4.983 -6.426 -0.013 1.00 0.00 N ATOM 49 CA ASP A 4 3.758 -7.226 0.000 1.00 0.00 C ATOM 50 C ASP A 4 2.524 -6.385 -0.325 1.00 0.00 C ATOM 51 O ASP A 4 2.207 -5.430 0.384 1.00 0.00 O ATOM 52 CB ASP A 4 3.583 -7.894 1.364 1.00 0.00 C ATOM 53 CG ASP A 4 4.228 -9.265 1.425 1.00 0.00 C ATOM 54 OD1 ASP A 4 3.640 -10.222 0.878 1.00 0.00 O ATOM 55 OD2 ASP A 4 5.320 -9.382 2.020 1.00 0.00 O ATOM 0 H ASP A 4 5.469 -6.390 0.883 1.00 0.00 H new ATOM 0 HA ASP A 4 3.856 -7.988 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.016 -7.257 2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.520 -7.986 1.587 1.00 0.00 H new ATOM 60 N CYS A 5 1.825 -6.755 -1.398 1.00 0.00 N ATOM 61 CA CYS A 5 0.621 -6.040 -1.812 1.00 0.00 C ATOM 62 C CYS A 5 -0.578 -6.478 -0.963 1.00 0.00 C ATOM 63 O CYS A 5 -0.465 -6.580 0.258 1.00 0.00 O ATOM 64 CB CYS A 5 0.352 -6.279 -3.303 1.00 0.00 C ATOM 65 SG CYS A 5 1.606 -5.560 -4.411 1.00 0.00 S ATOM 0 H CYS A 5 2.072 -7.545 -1.994 1.00 0.00 H new ATOM 0 HA CYS A 5 0.774 -4.972 -1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.296 -7.353 -3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.623 -5.862 -3.556 1.00 0.00 H new ATOM 70 N THR A 6 -1.722 -6.742 -1.598 1.00 0.00 N ATOM 71 CA THR A 6 -2.904 -7.166 -0.874 1.00 0.00 C ATOM 72 C THR A 6 -2.660 -8.513 -0.210 1.00 0.00 C ATOM 73 O THR A 6 -2.526 -8.588 1.009 1.00 0.00 O ATOM 74 CB THR A 6 -4.101 -7.255 -1.822 1.00 0.00 C ATOM 75 OG1 THR A 6 -4.410 -5.980 -2.352 1.00 0.00 O ATOM 76 CG2 THR A 6 -5.352 -7.794 -1.162 1.00 0.00 C ATOM 0 H THR A 6 -1.847 -6.668 -2.608 1.00 0.00 H new ATOM 0 HA THR A 6 -3.123 -6.429 -0.101 1.00 0.00 H new ATOM 0 HB THR A 6 -3.799 -7.949 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.861 -5.814 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.161 -7.830 -1.891 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.160 -8.798 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.637 -7.143 -0.336 1.00 0.00 H new ATOM 84 N GLU A 7 -2.603 -9.577 -1.019 1.00 0.00 N ATOM 85 CA GLU A 7 -2.382 -10.914 -0.502 1.00 0.00 C ATOM 86 C GLU A 7 -2.374 -11.966 -1.609 1.00 0.00 C ATOM 87 O GLU A 7 -1.877 -13.074 -1.404 1.00 0.00 O ATOM 88 CB GLU A 7 -3.472 -11.254 0.504 1.00 0.00 C ATOM 89 CG GLU A 7 -3.101 -10.892 1.922 1.00 0.00 C ATOM 90 CD GLU A 7 -3.340 -12.022 2.904 1.00 0.00 C ATOM 91 OE1 GLU A 7 -4.247 -12.844 2.654 1.00 0.00 O ATOM 92 OE2 GLU A 7 -2.621 -12.086 3.923 1.00 0.00 O ATOM 0 H GLU A 7 -2.708 -9.529 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.402 -10.925 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.388 -10.731 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.687 -12.321 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.050 -10.606 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.678 -10.021 2.232 1.00 0.00 H new ATOM 99 N PHE A 8 -2.948 -11.645 -2.768 1.00 0.00 N ATOM 100 CA PHE A 8 -3.007 -12.621 -3.856 1.00 0.00 C ATOM 101 C PHE A 8 -3.141 -11.941 -5.220 1.00 0.00 C ATOM 102 O PHE A 8 -2.772 -10.778 -5.379 1.00 0.00 O ATOM 103 CB PHE A 8 -4.176 -13.590 -3.608 1.00 0.00 C ATOM 104 CG PHE A 8 -5.354 -12.971 -2.900 1.00 0.00 C ATOM 105 CD1 PHE A 8 -5.703 -11.647 -3.122 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.114 -13.718 -2.013 1.00 0.00 C ATOM 107 CE1 PHE A 8 -6.784 -11.081 -2.472 1.00 0.00 C ATOM 108 CE2 PHE A 8 -7.196 -13.157 -1.360 1.00 0.00 C ATOM 109 CZ PHE A 8 -7.531 -11.837 -1.590 1.00 0.00 C ATOM 0 H PHE A 8 -3.369 -10.740 -2.976 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.071 -13.180 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.511 -13.989 -4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.815 -14.433 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.123 -11.051 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.858 -14.751 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.044 -10.049 -2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.779 -13.750 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.376 -11.397 -1.081 1.00 0.00 H new ATOM 119 N ASN A 9 -3.670 -12.673 -6.205 1.00 0.00 N ATOM 120 CA ASN A 9 -3.847 -12.131 -7.544 1.00 0.00 C ATOM 121 C ASN A 9 -4.917 -11.048 -7.521 1.00 0.00 C ATOM 122 O ASN A 9 -4.660 -9.917 -7.935 1.00 0.00 O ATOM 123 CB ASN A 9 -4.226 -13.242 -8.529 1.00 0.00 C ATOM 124 CG ASN A 9 -3.448 -14.522 -8.290 1.00 0.00 C ATOM 125 OD1 ASN A 9 -3.806 -15.330 -7.433 1.00 0.00 O ATOM 126 ND2 ASN A 9 -2.373 -14.713 -9.047 1.00 0.00 N ATOM 0 H ASN A 9 -3.980 -13.638 -6.095 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.906 -11.692 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.293 -13.448 -8.445 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.047 -12.897 -9.547 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.809 -15.555 -8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.111 -14.018 -9.746 1.00 0.00 H new ATOM 133 N PRO A 10 -6.122 -11.349 -6.994 1.00 0.00 N ATOM 134 CA PRO A 10 -7.179 -10.347 -6.890 1.00 0.00 C ATOM 135 C PRO A 10 -6.746 -9.248 -5.931 1.00 0.00 C ATOM 136 O PRO A 10 -7.056 -9.285 -4.743 1.00 0.00 O ATOM 137 CB PRO A 10 -8.375 -11.123 -6.331 1.00 0.00 C ATOM 138 CG PRO A 10 -7.787 -12.320 -5.669 1.00 0.00 C ATOM 139 CD PRO A 10 -6.528 -12.647 -6.425 1.00 0.00 C ATOM 0 HA PRO A 10 -7.413 -9.864 -7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.940 -10.518 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.064 -11.411 -7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.569 -12.116 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.483 -13.158 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.760 -13.055 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.708 -13.388 -7.204 1.00 0.00 H new ATOM 147 N LEU A 11 -5.979 -8.302 -6.464 1.00 0.00 N ATOM 148 CA LEU A 11 -5.428 -7.192 -5.691 1.00 0.00 C ATOM 149 C LEU A 11 -6.430 -6.556 -4.734 1.00 0.00 C ATOM 150 O LEU A 11 -7.477 -7.124 -4.441 1.00 0.00 O ATOM 151 CB LEU A 11 -4.819 -6.149 -6.633 1.00 0.00 C ATOM 152 CG LEU A 11 -5.679 -5.730 -7.834 1.00 0.00 C ATOM 153 CD1 LEU A 11 -5.412 -6.636 -9.026 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.161 -5.734 -7.480 1.00 0.00 C ATOM 0 H LEU A 11 -5.720 -8.283 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.645 -7.608 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.587 -5.257 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.873 -6.539 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.402 -4.711 -8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.031 -6.323 -9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.360 -6.570 -9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.653 -7.666 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.744 -5.433 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.459 -6.736 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.342 -5.035 -6.663 1.00 0.00 H new ATOM 166 N CYS A 12 -6.039 -5.392 -4.216 1.00 0.00 N ATOM 167 CA CYS A 12 -6.801 -4.636 -3.216 1.00 0.00 C ATOM 168 C CYS A 12 -8.256 -5.054 -3.106 1.00 0.00 C ATOM 169 O CYS A 12 -9.180 -4.275 -3.338 1.00 0.00 O ATOM 170 CB CYS A 12 -6.698 -3.131 -3.466 1.00 0.00 C ATOM 171 SG CYS A 12 -7.702 -2.500 -4.851 1.00 0.00 S ATOM 0 H CYS A 12 -5.166 -4.937 -4.484 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.340 -4.876 -2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.993 -2.607 -2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.654 -2.881 -3.653 1.00 0.00 H new ATOM 176 N ARG A 13 -8.434 -6.289 -2.685 1.00 0.00 N ATOM 177 CA ARG A 13 -9.759 -6.839 -2.462 1.00 0.00 C ATOM 178 C ARG A 13 -10.153 -6.611 -1.005 1.00 0.00 C ATOM 179 O ARG A 13 -10.941 -7.364 -0.432 1.00 0.00 O ATOM 180 CB ARG A 13 -9.783 -8.333 -2.793 1.00 0.00 C ATOM 181 CG ARG A 13 -10.322 -8.639 -4.182 1.00 0.00 C ATOM 182 CD ARG A 13 -11.730 -8.095 -4.368 1.00 0.00 C ATOM 183 NE ARG A 13 -12.710 -9.168 -4.535 1.00 0.00 N ATOM 184 CZ ARG A 13 -12.918 -9.811 -5.681 1.00 0.00 C ATOM 185 NH1 ARG A 13 -12.220 -9.494 -6.765 1.00 0.00 N ATOM 186 NH2 ARG A 13 -13.826 -10.776 -5.744 1.00 0.00 N ATOM 0 H ARG A 13 -7.672 -6.937 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.473 -6.338 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.772 -8.732 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.393 -8.851 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.662 -8.205 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.323 -9.717 -4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.001 -7.486 -3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.755 -7.441 -5.240 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.267 -9.439 -3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.520 -8.754 -6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.384 -9.991 -7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.364 -11.025 -4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.986 -11.269 -6.622 1.00 0.00 H new ATOM 200 N CYS A 14 -9.582 -5.561 -0.409 1.00 0.00 N ATOM 201 CA CYS A 14 -9.833 -5.209 0.960 1.00 0.00 C ATOM 202 C CYS A 14 -10.337 -3.778 1.031 1.00 0.00 C ATOM 203 O CYS A 14 -10.481 -3.093 0.018 1.00 0.00 O ATOM 204 CB CYS A 14 -8.535 -5.362 1.782 1.00 0.00 C ATOM 205 SG CYS A 14 -7.568 -3.818 2.004 1.00 0.00 S ATOM 0 H CYS A 14 -8.929 -4.936 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.592 -5.872 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.790 -5.757 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.901 -6.103 1.296 1.00 0.00 H new ATOM 210 N ASN A 15 -10.565 -3.341 2.240 1.00 0.00 N ATOM 211 CA ASN A 15 -11.015 -1.984 2.507 1.00 0.00 C ATOM 212 C ASN A 15 -10.974 -1.689 3.987 1.00 0.00 C ATOM 213 O ASN A 15 -10.134 -0.920 4.455 1.00 0.00 O ATOM 214 CB ASN A 15 -12.419 -1.732 1.981 1.00 0.00 C ATOM 215 CG ASN A 15 -12.531 -0.349 1.368 1.00 0.00 C ATOM 216 OD1 ASN A 15 -13.329 -0.118 0.462 1.00 0.00 O ATOM 217 ND2 ASN A 15 -11.715 0.582 1.871 1.00 0.00 N ATOM 0 H ASN A 15 -10.446 -3.911 3.077 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.331 -1.318 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.672 -2.486 1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.139 -1.833 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.738 1.533 1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.069 0.342 2.623 1.00 0.00 H new ATOM 224 N LYS A 16 -11.873 -2.319 4.728 1.00 0.00 N ATOM 225 CA LYS A 16 -11.915 -2.137 6.174 1.00 0.00 C ATOM 226 C LYS A 16 -10.705 -2.801 6.813 1.00 0.00 C ATOM 227 O LYS A 16 -10.774 -3.330 7.923 1.00 0.00 O ATOM 228 CB LYS A 16 -13.197 -2.710 6.773 1.00 0.00 C ATOM 229 CG LYS A 16 -13.438 -2.247 8.201 1.00 0.00 C ATOM 230 CD LYS A 16 -14.078 -0.869 8.239 1.00 0.00 C ATOM 231 CE LYS A 16 -13.083 0.197 8.670 1.00 0.00 C ATOM 232 NZ LYS A 16 -13.761 1.458 9.080 1.00 0.00 N ATOM 0 H LYS A 16 -12.578 -2.956 4.358 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.897 -1.067 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.045 -2.418 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.147 -3.799 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.082 -2.962 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.492 -2.225 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.472 -0.623 7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.923 -0.878 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.485 -0.179 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.396 0.405 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.048 2.158 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.312 1.832 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.398 1.266 9.879 1.00 0.00 H new ATOM 246 N MET A 17 -9.594 -2.761 6.089 1.00 0.00 N ATOM 247 CA MET A 17 -8.342 -3.335 6.531 1.00 0.00 C ATOM 248 C MET A 17 -8.080 -2.998 7.995 1.00 0.00 C ATOM 249 O MET A 17 -8.546 -1.975 8.495 1.00 0.00 O ATOM 250 CB MET A 17 -7.219 -2.806 5.639 1.00 0.00 C ATOM 251 CG MET A 17 -5.982 -3.688 5.625 1.00 0.00 C ATOM 252 SD MET A 17 -6.242 -5.236 4.737 1.00 0.00 S ATOM 253 CE MET A 17 -6.680 -6.332 6.083 1.00 0.00 C ATOM 0 H MET A 17 -9.542 -2.323 5.169 1.00 0.00 H new ATOM 0 HA MET A 17 -8.388 -4.421 6.451 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.594 -2.705 4.620 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.939 -1.808 5.976 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.158 -3.144 5.164 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.685 -3.907 6.651 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.560 -7.367 5.763 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.030 -6.138 6.936 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.717 -6.159 6.370 1.00 0.00 H new ATOM 263 N LEU A 18 -7.347 -3.867 8.678 1.00 0.00 N ATOM 264 CA LEU A 18 -7.041 -3.661 10.091 1.00 0.00 C ATOM 265 C LEU A 18 -6.079 -2.492 10.277 1.00 0.00 C ATOM 266 O LEU A 18 -4.964 -2.669 10.768 1.00 0.00 O ATOM 267 CB LEU A 18 -6.442 -4.933 10.702 1.00 0.00 C ATOM 268 CG LEU A 18 -5.504 -5.723 9.784 1.00 0.00 C ATOM 269 CD1 LEU A 18 -4.511 -4.797 9.098 1.00 0.00 C ATOM 270 CD2 LEU A 18 -4.771 -6.800 10.571 1.00 0.00 C ATOM 0 H LEU A 18 -6.953 -4.720 8.280 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.973 -3.426 10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.895 -4.660 11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.258 -5.587 11.010 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.108 -6.205 9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.856 -5.381 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.051 -4.063 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.914 -4.282 9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.109 -7.352 9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.183 -6.336 11.363 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.495 -7.485 11.011 1.00 0.00 H new ATOM 282 N GLY A 19 -6.530 -1.297 9.884 1.00 0.00 N ATOM 283 CA GLY A 19 -5.719 -0.088 10.006 1.00 0.00 C ATOM 284 C GLY A 19 -4.224 -0.361 10.075 1.00 0.00 C ATOM 285 O GLY A 19 -3.605 -0.179 11.123 1.00 0.00 O ATOM 0 H GLY A 19 -7.453 -1.144 9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.922 0.563 9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.022 0.454 10.902 1.00 0.00 H new ATOM 289 N ASP A 20 -3.647 -0.805 8.963 1.00 0.00 N ATOM 290 CA ASP A 20 -2.226 -1.108 8.913 1.00 0.00 C ATOM 291 C ASP A 20 -1.393 0.165 8.967 1.00 0.00 C ATOM 292 O ASP A 20 -1.923 1.274 8.902 1.00 0.00 O ATOM 293 CB ASP A 20 -1.882 -1.889 7.645 1.00 0.00 C ATOM 294 CG ASP A 20 -2.989 -2.827 7.206 1.00 0.00 C ATOM 295 OD1 ASP A 20 -4.122 -2.347 6.994 1.00 0.00 O ATOM 296 OD2 ASP A 20 -2.723 -4.040 7.073 1.00 0.00 O ATOM 0 H ASP A 20 -4.144 -0.962 8.086 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.991 -1.720 9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.668 -1.186 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.972 -2.465 7.816 1.00 0.00 H new ATOM 301 N LEU A 21 -0.085 -0.008 9.098 1.00 0.00 N ATOM 302 CA LEU A 21 0.833 1.105 9.178 1.00 0.00 C ATOM 303 C LEU A 21 1.943 0.985 8.134 1.00 0.00 C ATOM 304 O LEU A 21 3.120 0.862 8.474 1.00 0.00 O ATOM 305 CB LEU A 21 1.425 1.150 10.580 1.00 0.00 C ATOM 306 CG LEU A 21 2.238 -0.082 10.987 1.00 0.00 C ATOM 307 CD1 LEU A 21 3.179 0.258 12.134 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.312 -1.226 11.376 1.00 0.00 C ATOM 0 H LEU A 21 0.362 -0.923 9.151 1.00 0.00 H new ATOM 0 HA LEU A 21 0.292 2.029 8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.065 2.029 10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.613 1.282 11.295 1.00 0.00 H new ATOM 0 HG LEU A 21 2.836 -0.400 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.750 -0.628 12.411 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.863 1.047 11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.599 0.599 12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.906 -2.094 11.662 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.688 -0.920 12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.677 -1.485 10.528 1.00 0.00 H new ATOM 320 N ILE A 22 1.561 1.029 6.864 1.00 0.00 N ATOM 321 CA ILE A 22 2.531 0.930 5.777 1.00 0.00 C ATOM 322 C ILE A 22 3.227 2.266 5.555 1.00 0.00 C ATOM 323 O ILE A 22 2.635 3.329 5.742 1.00 0.00 O ATOM 324 CB ILE A 22 1.873 0.459 4.456 1.00 0.00 C ATOM 325 CG1 ILE A 22 2.805 0.669 3.267 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.558 1.177 4.218 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.574 1.971 2.531 1.00 0.00 C ATOM 0 H ILE A 22 0.593 1.132 6.561 1.00 0.00 H new ATOM 0 HA ILE A 22 3.267 0.183 6.073 1.00 0.00 H new ATOM 0 HB ILE A 22 1.676 -0.609 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.837 0.638 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.680 -0.159 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.117 0.828 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.125 0.969 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.736 2.251 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.274 2.048 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.553 1.997 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.728 2.807 3.213 1.00 0.00 H new ATOM 339 N CYS A 23 4.488 2.201 5.144 1.00 0.00 N ATOM 340 CA CYS A 23 5.267 3.408 4.883 1.00 0.00 C ATOM 341 C CYS A 23 5.522 3.540 3.394 1.00 0.00 C ATOM 342 O CYS A 23 6.556 3.105 2.890 1.00 0.00 O ATOM 343 CB CYS A 23 6.593 3.373 5.643 1.00 0.00 C ATOM 344 SG CYS A 23 7.632 4.848 5.387 1.00 0.00 S ATOM 0 H CYS A 23 4.993 1.329 4.984 1.00 0.00 H new ATOM 0 HA CYS A 23 4.699 4.271 5.229 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.387 3.267 6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.153 2.489 5.337 1.00 0.00 H new ATOM 349 N ALA A 24 4.557 4.114 2.687 1.00 0.00 N ATOM 350 CA ALA A 24 4.669 4.264 1.250 1.00 0.00 C ATOM 351 C ALA A 24 5.407 5.534 0.853 1.00 0.00 C ATOM 352 O ALA A 24 5.228 6.593 1.451 1.00 0.00 O ATOM 353 CB ALA A 24 3.290 4.238 0.607 1.00 0.00 C ATOM 0 H ALA A 24 3.693 4.480 3.087 1.00 0.00 H new ATOM 0 HA ALA A 24 5.257 3.421 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.390 4.352 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.803 3.288 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.688 5.055 1.004 1.00 0.00 H new ATOM 359 N VAL A 25 6.231 5.408 -0.176 1.00 0.00 N ATOM 360 CA VAL A 25 7.003 6.515 -0.698 1.00 0.00 C ATOM 361 C VAL A 25 6.930 6.551 -2.220 1.00 0.00 C ATOM 362 O VAL A 25 6.810 5.509 -2.877 1.00 0.00 O ATOM 363 CB VAL A 25 8.472 6.420 -0.252 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.188 5.277 -0.961 1.00 0.00 C ATOM 365 CG2 VAL A 25 9.189 7.740 -0.485 1.00 0.00 C ATOM 0 H VAL A 25 6.381 4.529 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 25 6.575 7.435 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 25 8.488 6.208 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.224 5.234 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.691 4.335 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.161 5.443 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.227 7.652 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.158 7.989 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.697 8.527 0.087 1.00 0.00 H new ATOM 375 N ILE A 26 6.998 7.753 -2.770 1.00 0.00 N ATOM 376 CA ILE A 26 6.940 7.936 -4.217 1.00 0.00 C ATOM 377 C ILE A 26 7.990 8.938 -4.687 1.00 0.00 C ATOM 378 O ILE A 26 7.735 10.141 -4.756 1.00 0.00 O ATOM 379 CB ILE A 26 5.549 8.406 -4.697 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.628 8.713 -3.510 1.00 0.00 C ATOM 381 CG2 ILE A 26 4.923 7.361 -5.611 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.091 7.478 -2.817 1.00 0.00 C ATOM 0 H ILE A 26 7.093 8.618 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 26 7.142 6.958 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 26 5.679 9.329 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.174 9.316 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.790 9.316 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.943 7.706 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.564 7.205 -6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.813 6.422 -5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.448 7.776 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.516 6.884 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.922 6.884 -2.436 1.00 0.00 H new ATOM 394 N GLY A 27 9.170 8.425 -5.000 1.00 0.00 N ATOM 395 CA GLY A 27 10.265 9.261 -5.460 1.00 0.00 C ATOM 396 C GLY A 27 10.840 10.104 -4.346 1.00 0.00 C ATOM 397 O GLY A 27 12.026 10.015 -4.028 1.00 0.00 O ATOM 0 H GLY A 27 9.393 7.431 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.050 8.632 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.913 9.910 -6.262 1.00 0.00 H new ATOM 401 N ASP A 28 9.984 10.915 -3.748 1.00 0.00 N ATOM 402 CA ASP A 28 10.375 11.784 -2.651 1.00 0.00 C ATOM 403 C ASP A 28 9.158 12.153 -1.813 1.00 0.00 C ATOM 404 O ASP A 28 9.138 13.192 -1.152 1.00 0.00 O ATOM 405 CB ASP A 28 11.047 13.049 -3.185 1.00 0.00 C ATOM 406 CG ASP A 28 12.247 12.741 -4.059 1.00 0.00 C ATOM 407 OD1 ASP A 28 13.321 12.428 -3.504 1.00 0.00 O ATOM 408 OD2 ASP A 28 12.112 12.813 -5.299 1.00 0.00 O ATOM 0 H ASP A 28 9.001 10.990 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 28 11.088 11.249 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.323 13.628 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.361 13.672 -2.347 1.00 0.00 H new ATOM 413 N ALA A 29 8.137 11.297 -1.848 1.00 0.00 N ATOM 414 CA ALA A 29 6.916 11.542 -1.091 1.00 0.00 C ATOM 415 C ALA A 29 6.577 10.349 -0.211 1.00 0.00 C ATOM 416 O ALA A 29 5.779 9.491 -0.591 1.00 0.00 O ATOM 417 CB ALA A 29 5.764 11.854 -2.035 1.00 0.00 C ATOM 0 H ALA A 29 8.133 10.433 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 29 7.080 12.404 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.858 12.035 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.004 12.741 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.604 11.009 -2.705 1.00 0.00 H new ATOM 423 N LYS A 30 7.188 10.296 0.967 1.00 0.00 N ATOM 424 CA LYS A 30 6.947 9.202 1.896 1.00 0.00 C ATOM 425 C LYS A 30 5.874 9.574 2.915 1.00 0.00 C ATOM 426 O LYS A 30 5.903 10.657 3.498 1.00 0.00 O ATOM 427 CB LYS A 30 8.243 8.816 2.611 1.00 0.00 C ATOM 428 CG LYS A 30 8.835 9.936 3.450 1.00 0.00 C ATOM 429 CD LYS A 30 9.924 9.417 4.375 1.00 0.00 C ATOM 430 CE LYS A 30 11.097 8.846 3.593 1.00 0.00 C ATOM 431 NZ LYS A 30 12.328 9.669 3.753 1.00 0.00 N ATOM 0 H LYS A 30 7.851 10.996 1.299 1.00 0.00 H new ATOM 0 HA LYS A 30 6.590 8.346 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.051 7.956 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.977 8.503 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.246 10.705 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.048 10.407 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.273 10.226 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.512 8.647 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.295 7.828 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.835 8.788 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.103 9.245 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.148 10.634 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.594 9.704 4.758 1.00 0.00 H new ATOM 445 N GLU A 31 4.926 8.666 3.122 1.00 0.00 N ATOM 446 CA GLU A 31 3.839 8.887 4.065 1.00 0.00 C ATOM 447 C GLU A 31 3.243 7.560 4.522 1.00 0.00 C ATOM 448 O GLU A 31 3.484 6.519 3.910 1.00 0.00 O ATOM 449 CB GLU A 31 2.754 9.753 3.424 1.00 0.00 C ATOM 450 CG GLU A 31 2.272 9.228 2.081 1.00 0.00 C ATOM 451 CD GLU A 31 0.760 9.163 1.990 1.00 0.00 C ATOM 452 OE1 GLU A 31 0.089 9.917 2.726 1.00 0.00 O ATOM 453 OE2 GLU A 31 0.248 8.360 1.182 1.00 0.00 O ATOM 0 H GLU A 31 4.890 7.765 2.645 1.00 0.00 H new ATOM 0 HA GLU A 31 4.241 9.404 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.905 9.820 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.138 10.765 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.653 9.869 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.686 8.233 1.914 1.00 0.00 H new ATOM 460 N GLU A 32 2.464 7.599 5.597 1.00 0.00 N ATOM 461 CA GLU A 32 1.838 6.393 6.127 1.00 0.00 C ATOM 462 C GLU A 32 0.514 6.111 5.428 1.00 0.00 C ATOM 463 O GLU A 32 -0.160 7.025 4.955 1.00 0.00 O ATOM 464 CB GLU A 32 1.607 6.526 7.632 1.00 0.00 C ATOM 465 CG GLU A 32 2.844 6.959 8.401 1.00 0.00 C ATOM 466 CD GLU A 32 2.522 7.439 9.800 1.00 0.00 C ATOM 467 OE1 GLU A 32 1.703 6.785 10.480 1.00 0.00 O ATOM 468 OE2 GLU A 32 3.087 8.471 10.219 1.00 0.00 O ATOM 0 H GLU A 32 2.251 8.450 6.118 1.00 0.00 H new ATOM 0 HA GLU A 32 2.514 5.559 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.810 7.248 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.262 5.569 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.542 6.124 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.347 7.757 7.854 1.00 0.00 H new ATOM 475 N HIS A 33 0.148 4.836 5.372 1.00 0.00 N ATOM 476 CA HIS A 33 -1.098 4.424 4.737 1.00 0.00 C ATOM 477 C HIS A 33 -1.704 3.229 5.465 1.00 0.00 C ATOM 478 O HIS A 33 -0.989 2.410 6.039 1.00 0.00 O ATOM 479 CB HIS A 33 -0.856 4.074 3.267 1.00 0.00 C ATOM 480 CG HIS A 33 -1.936 4.561 2.350 1.00 0.00 C ATOM 481 ND1 HIS A 33 -3.161 3.938 2.234 1.00 0.00 N ATOM 482 CD2 HIS A 33 -1.970 5.616 1.500 1.00 0.00 C ATOM 483 CE1 HIS A 33 -3.902 4.587 1.353 1.00 0.00 C ATOM 484 NE2 HIS A 33 -3.203 5.609 0.894 1.00 0.00 N ATOM 0 H HIS A 33 0.697 4.069 5.759 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.800 5.256 4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.096 4.501 2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.768 2.992 3.169 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.176 6.329 1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.908 4.326 1.059 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.526 6.284 0.201 1.00 0.00 H new ATOM 493 N ARG A 34 -3.028 3.140 5.441 1.00 0.00 N ATOM 494 CA ARG A 34 -3.734 2.047 6.099 1.00 0.00 C ATOM 495 C ARG A 34 -4.179 0.992 5.090 1.00 0.00 C ATOM 496 O ARG A 34 -3.905 -0.197 5.259 1.00 0.00 O ATOM 497 CB ARG A 34 -4.950 2.580 6.855 1.00 0.00 C ATOM 498 CG ARG A 34 -4.750 2.654 8.360 1.00 0.00 C ATOM 499 CD ARG A 34 -4.205 4.007 8.786 1.00 0.00 C ATOM 500 NE ARG A 34 -2.744 4.014 8.853 1.00 0.00 N ATOM 501 CZ ARG A 34 -2.020 5.098 9.121 1.00 0.00 C ATOM 502 NH1 ARG A 34 -2.616 6.263 9.350 1.00 0.00 N ATOM 503 NH2 ARG A 34 -0.698 5.019 9.163 1.00 0.00 N ATOM 0 H ARG A 34 -3.635 3.812 4.972 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.045 1.582 6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.192 3.574 6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.807 1.942 6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.699 2.469 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.063 1.869 8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.539 4.770 8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.614 4.272 9.761 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.251 3.137 8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.633 6.330 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.056 7.091 9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.235 4.127 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.144 5.850 9.368 1.00 0.00 H new ATOM 517 N ASN A 35 -4.871 1.433 4.042 1.00 0.00 N ATOM 518 CA ASN A 35 -5.359 0.522 3.011 1.00 0.00 C ATOM 519 C ASN A 35 -4.245 0.160 2.035 1.00 0.00 C ATOM 520 O ASN A 35 -4.327 0.431 0.832 1.00 0.00 O ATOM 521 CB ASN A 35 -6.541 1.142 2.264 1.00 0.00 C ATOM 522 CG ASN A 35 -7.706 1.457 3.185 1.00 0.00 C ATOM 523 OD1 ASN A 35 -8.313 2.524 3.094 1.00 0.00 O ATOM 524 ND2 ASN A 35 -8.023 0.528 4.082 1.00 0.00 N ATOM 0 H ASN A 35 -5.106 2.413 3.885 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.696 -0.393 3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.215 2.057 1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.873 0.458 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.796 0.686 4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.494 -0.343 4.123 1.00 0.00 H new ATOM 531 N MET A 36 -3.202 -0.463 2.570 1.00 0.00 N ATOM 532 CA MET A 36 -2.058 -0.883 1.780 1.00 0.00 C ATOM 533 C MET A 36 -2.495 -1.661 0.540 1.00 0.00 C ATOM 534 O MET A 36 -1.784 -1.687 -0.465 1.00 0.00 O ATOM 535 CB MET A 36 -1.129 -1.730 2.653 1.00 0.00 C ATOM 536 CG MET A 36 -0.054 -2.483 1.880 1.00 0.00 C ATOM 537 SD MET A 36 0.779 -3.731 2.881 1.00 0.00 S ATOM 538 CE MET A 36 -0.621 -4.631 3.541 1.00 0.00 C ATOM 0 H MET A 36 -3.128 -0.690 3.562 1.00 0.00 H new ATOM 0 HA MET A 36 -1.524 0.002 1.434 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.647 -1.082 3.385 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.729 -2.449 3.211 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.505 -2.962 1.011 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.683 -1.773 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.334 -5.666 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.942 -4.171 4.475 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.441 -4.605 2.824 1.00 0.00 H new ATOM 548 N CYS A 37 -3.668 -2.289 0.608 1.00 0.00 N ATOM 549 CA CYS A 37 -4.172 -3.050 -0.527 1.00 0.00 C ATOM 550 C CYS A 37 -4.460 -2.120 -1.695 1.00 0.00 C ATOM 551 O CYS A 37 -3.833 -2.218 -2.749 1.00 0.00 O ATOM 552 CB CYS A 37 -5.446 -3.840 -0.176 1.00 0.00 C ATOM 553 SG CYS A 37 -5.641 -4.322 1.574 1.00 0.00 S ATOM 0 H CYS A 37 -4.277 -2.285 1.426 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.398 -3.766 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.310 -3.242 -0.465 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.467 -4.744 -0.784 1.00 0.00 H new ATOM 558 N ALA A 38 -5.405 -1.211 -1.495 1.00 0.00 N ATOM 559 CA ALA A 38 -5.776 -0.249 -2.529 1.00 0.00 C ATOM 560 C ALA A 38 -4.549 0.452 -3.097 1.00 0.00 C ATOM 561 O ALA A 38 -4.587 0.982 -4.203 1.00 0.00 O ATOM 562 CB ALA A 38 -6.761 0.770 -1.977 1.00 0.00 C ATOM 0 H ALA A 38 -5.930 -1.118 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.255 -0.797 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.027 1.480 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.659 0.258 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.304 1.304 -1.144 1.00 0.00 H new ATOM 568 N LEU A 39 -3.464 0.457 -2.334 1.00 0.00 N ATOM 569 CA LEU A 39 -2.232 1.097 -2.771 1.00 0.00 C ATOM 570 C LEU A 39 -1.508 0.279 -3.823 1.00 0.00 C ATOM 571 O LEU A 39 -1.144 0.794 -4.881 1.00 0.00 O ATOM 572 CB LEU A 39 -1.309 1.301 -1.584 1.00 0.00 C ATOM 573 CG LEU A 39 -0.306 2.445 -1.733 1.00 0.00 C ATOM 574 CD1 LEU A 39 -1.018 3.739 -2.096 1.00 0.00 C ATOM 575 CD2 LEU A 39 0.501 2.613 -0.456 1.00 0.00 C ATOM 0 H LEU A 39 -3.413 0.026 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.504 2.056 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.917 1.484 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.759 0.377 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 39 0.381 2.198 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.286 4.541 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.548 3.610 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.730 3.995 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.210 3.431 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.171 2.837 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.043 1.691 -0.244 1.00 0.00 H new ATOM 587 N CYS A 40 -1.292 -0.992 -3.529 1.00 0.00 N ATOM 588 CA CYS A 40 -0.595 -1.858 -4.464 1.00 0.00 C ATOM 589 C CYS A 40 -1.448 -2.101 -5.694 1.00 0.00 C ATOM 590 O CYS A 40 -0.941 -2.441 -6.762 1.00 0.00 O ATOM 591 CB CYS A 40 -0.207 -3.186 -3.808 1.00 0.00 C ATOM 592 SG CYS A 40 1.567 -3.581 -3.961 1.00 0.00 S ATOM 0 H CYS A 40 -1.585 -1.443 -2.662 1.00 0.00 H new ATOM 0 HA CYS A 40 0.323 -1.356 -4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.474 -3.152 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.790 -3.989 -4.259 1.00 0.00 H new ATOM 597 N CYS A 41 -2.751 -1.919 -5.541 1.00 0.00 N ATOM 598 CA CYS A 41 -3.670 -2.117 -6.644 1.00 0.00 C ATOM 599 C CYS A 41 -3.910 -0.821 -7.417 1.00 0.00 C ATOM 600 O CYS A 41 -4.078 -0.830 -8.637 1.00 0.00 O ATOM 601 CB CYS A 41 -4.987 -2.683 -6.121 1.00 0.00 C ATOM 602 SG CYS A 41 -6.349 -1.483 -5.959 1.00 0.00 S ATOM 0 H CYS A 41 -3.192 -1.636 -4.666 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.222 -2.829 -7.337 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.309 -3.483 -6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.806 -3.135 -5.146 1.00 0.00 H new ATOM 607 N GLU A 42 -3.974 0.282 -6.682 1.00 0.00 N ATOM 608 CA GLU A 42 -4.250 1.592 -7.280 1.00 0.00 C ATOM 609 C GLU A 42 -2.998 2.442 -7.491 1.00 0.00 C ATOM 610 O GLU A 42 -3.102 3.644 -7.736 1.00 0.00 O ATOM 611 CB GLU A 42 -5.244 2.362 -6.409 1.00 0.00 C ATOM 612 CG GLU A 42 -6.004 3.442 -7.161 1.00 0.00 C ATOM 613 CD GLU A 42 -6.717 4.406 -6.234 1.00 0.00 C ATOM 614 OE1 GLU A 42 -7.822 4.067 -5.759 1.00 0.00 O ATOM 615 OE2 GLU A 42 -6.170 5.500 -5.981 1.00 0.00 O ATOM 0 H GLU A 42 -3.839 0.301 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.671 1.397 -8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.958 1.659 -5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.707 2.819 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.310 3.997 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.733 2.974 -7.823 1.00 0.00 H new ATOM 622 N HIS A 43 -1.820 1.838 -7.410 1.00 0.00 N ATOM 623 CA HIS A 43 -0.586 2.592 -7.613 1.00 0.00 C ATOM 624 C HIS A 43 -0.324 2.807 -9.102 1.00 0.00 C ATOM 625 O HIS A 43 -0.959 2.177 -9.948 1.00 0.00 O ATOM 626 CB HIS A 43 0.600 1.884 -6.958 1.00 0.00 C ATOM 627 CG HIS A 43 0.792 0.460 -7.384 1.00 0.00 C ATOM 628 ND1 HIS A 43 0.394 -0.036 -8.611 1.00 0.00 N ATOM 629 CD2 HIS A 43 1.371 -0.574 -6.734 1.00 0.00 C ATOM 630 CE1 HIS A 43 0.724 -1.313 -8.692 1.00 0.00 C ATOM 631 NE2 HIS A 43 1.318 -1.663 -7.568 1.00 0.00 N ATOM 0 H HIS A 43 -1.691 0.846 -7.209 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.705 3.567 -7.139 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.509 2.442 -7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.470 1.911 -5.876 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.080 0.499 -9.339 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.797 -0.548 -5.742 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.539 -1.961 -9.536 1.00 0.00 H new ATOM 640 N PRO A 44 0.609 3.711 -9.445 1.00 0.00 N ATOM 641 CA PRO A 44 0.941 4.017 -10.841 1.00 0.00 C ATOM 642 C PRO A 44 1.622 2.845 -11.538 1.00 0.00 C ATOM 643 O PRO A 44 1.042 2.211 -12.419 1.00 0.00 O ATOM 644 CB PRO A 44 1.897 5.218 -10.741 1.00 0.00 C ATOM 645 CG PRO A 44 1.777 5.708 -9.334 1.00 0.00 C ATOM 646 CD PRO A 44 1.409 4.510 -8.508 1.00 0.00 C ATOM 0 HA PRO A 44 0.050 4.225 -11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.922 4.924 -10.968 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.624 5.997 -11.453 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.715 6.145 -8.992 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.016 6.485 -9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.290 3.969 -8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.838 4.788 -7.622 1.00 0.00 H new ATOM 654 N GLY A 45 2.851 2.559 -11.131 1.00 0.00 N ATOM 655 CA GLY A 45 3.591 1.459 -11.714 1.00 0.00 C ATOM 656 C GLY A 45 4.299 0.632 -10.661 1.00 0.00 C ATOM 657 O GLY A 45 5.180 -0.169 -10.977 1.00 0.00 O ATOM 0 H GLY A 45 3.350 3.072 -10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.910 0.822 -12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.323 1.849 -12.422 1.00 0.00 H new ATOM 661 N GLY A 46 3.915 0.832 -9.404 1.00 0.00 N ATOM 662 CA GLY A 46 4.523 0.099 -8.316 1.00 0.00 C ATOM 663 C GLY A 46 4.899 0.997 -7.157 1.00 0.00 C ATOM 664 O GLY A 46 6.078 1.265 -6.930 1.00 0.00 O ATOM 0 H GLY A 46 3.190 1.492 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.833 -0.669 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.414 -0.414 -8.679 1.00 0.00 H new ATOM 668 N PHE A 47 3.898 1.458 -6.415 1.00 0.00 N ATOM 669 CA PHE A 47 4.135 2.318 -5.264 1.00 0.00 C ATOM 670 C PHE A 47 5.090 1.642 -4.296 1.00 0.00 C ATOM 671 O PHE A 47 5.020 0.432 -4.086 1.00 0.00 O ATOM 672 CB PHE A 47 2.819 2.627 -4.544 1.00 0.00 C ATOM 673 CG PHE A 47 2.359 4.051 -4.682 1.00 0.00 C ATOM 674 CD1 PHE A 47 2.667 4.790 -5.813 1.00 0.00 C ATOM 675 CD2 PHE A 47 1.606 4.647 -3.683 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.234 6.095 -5.945 1.00 0.00 C ATOM 677 CE2 PHE A 47 1.172 5.952 -3.807 1.00 0.00 C ATOM 678 CZ PHE A 47 1.485 6.678 -4.941 1.00 0.00 C ATOM 0 H PHE A 47 2.915 1.250 -6.591 1.00 0.00 H new ATOM 0 HA PHE A 47 4.574 3.250 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.043 1.967 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.935 2.396 -3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.253 4.340 -6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.355 4.084 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.481 6.659 -6.832 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.589 6.405 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.145 7.698 -5.042 1.00 0.00 H new ATOM 688 N GLU A 48 5.973 2.423 -3.700 1.00 0.00 N ATOM 689 CA GLU A 48 6.924 1.878 -2.745 1.00 0.00 C ATOM 690 C GLU A 48 6.353 1.948 -1.347 1.00 0.00 C ATOM 691 O GLU A 48 5.749 2.943 -0.972 1.00 0.00 O ATOM 692 CB GLU A 48 8.242 2.652 -2.794 1.00 0.00 C ATOM 693 CG GLU A 48 9.325 2.059 -1.910 1.00 0.00 C ATOM 694 CD GLU A 48 10.719 2.475 -2.337 1.00 0.00 C ATOM 695 OE1 GLU A 48 10.868 3.591 -2.877 1.00 0.00 O ATOM 696 OE2 GLU A 48 11.664 1.684 -2.130 1.00 0.00 O ATOM 0 H GLU A 48 6.052 3.428 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 48 7.115 0.838 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.599 2.681 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.060 3.683 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.157 2.369 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.252 0.972 -1.932 1.00 0.00 H new ATOM 703 N TYR A 49 6.554 0.894 -0.576 1.00 0.00 N ATOM 704 CA TYR A 49 6.061 0.866 0.792 1.00 0.00 C ATOM 705 C TYR A 49 6.856 -0.086 1.646 1.00 0.00 C ATOM 706 O TYR A 49 7.537 -0.985 1.153 1.00 0.00 O ATOM 707 CB TYR A 49 4.595 0.490 0.868 1.00 0.00 C ATOM 708 CG TYR A 49 4.245 -0.779 0.166 1.00 0.00 C ATOM 709 CD1 TYR A 49 3.906 -0.780 -1.173 1.00 0.00 C ATOM 710 CD2 TYR A 49 4.241 -1.979 0.855 1.00 0.00 C ATOM 711 CE1 TYR A 49 3.570 -1.948 -1.810 1.00 0.00 C ATOM 712 CE2 TYR A 49 3.911 -3.153 0.229 1.00 0.00 C ATOM 713 CZ TYR A 49 3.571 -3.135 -1.109 1.00 0.00 C ATOM 714 OH TYR A 49 3.229 -4.298 -1.748 1.00 0.00 O ATOM 0 H TYR A 49 7.050 0.053 -0.869 1.00 0.00 H new ATOM 0 HA TYR A 49 6.179 1.880 1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.309 0.401 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.002 1.301 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.905 0.149 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.502 -1.991 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.306 -1.937 -2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.917 -4.083 0.777 1.00 0.00 H new ATOM 0 HH TYR A 49 3.127 -4.126 -2.707 1.00 0.00 H new ATOM 724 N SER A 50 6.748 0.128 2.935 1.00 0.00 N ATOM 725 CA SER A 50 7.433 -0.694 3.910 1.00 0.00 C ATOM 726 C SER A 50 6.565 -0.851 5.146 1.00 0.00 C ATOM 727 O SER A 50 6.541 0.017 6.017 1.00 0.00 O ATOM 728 CB SER A 50 8.774 -0.070 4.274 1.00 0.00 C ATOM 729 OG SER A 50 9.189 0.866 3.294 1.00 0.00 O ATOM 0 H SER A 50 6.184 0.875 3.340 1.00 0.00 H new ATOM 0 HA SER A 50 7.618 -1.679 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.697 0.424 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.526 -0.852 4.375 1.00 0.00 H new ATOM 0 HG SER A 50 10.051 1.252 3.554 1.00 0.00 H new ATOM 735 N ASN A 51 5.832 -1.953 5.201 1.00 0.00 N ATOM 736 CA ASN A 51 4.934 -2.214 6.316 1.00 0.00 C ATOM 737 C ASN A 51 5.609 -1.973 7.657 1.00 0.00 C ATOM 738 O ASN A 51 6.734 -2.412 7.896 1.00 0.00 O ATOM 739 CB ASN A 51 4.395 -3.641 6.269 1.00 0.00 C ATOM 740 CG ASN A 51 4.044 -4.103 4.866 1.00 0.00 C ATOM 741 OD1 ASN A 51 4.148 -5.287 4.548 1.00 0.00 O ATOM 742 ND2 ASN A 51 3.624 -3.171 4.014 1.00 0.00 N ATOM 0 H ASN A 51 5.841 -2.681 4.487 1.00 0.00 H new ATOM 0 HA ASN A 51 4.104 -1.514 6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.138 -4.317 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.508 -3.708 6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.375 -3.428 3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.551 -2.199 4.316 1.00 0.00 H new ATOM 749 N GLY A 52 4.898 -1.277 8.528 1.00 0.00 N ATOM 750 CA GLY A 52 5.416 -0.984 9.852 1.00 0.00 C ATOM 751 C GLY A 52 5.920 0.440 9.989 1.00 0.00 C ATOM 752 O GLY A 52 5.661 1.279 9.124 1.00 0.00 O ATOM 0 H GLY A 52 3.966 -0.906 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.633 -1.159 10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.228 -1.675 10.080 1.00 0.00 H new ATOM 756 N PRO A 53 6.651 0.745 11.076 1.00 0.00 N ATOM 757 CA PRO A 53 7.192 2.087 11.318 1.00 0.00 C ATOM 758 C PRO A 53 8.223 2.490 10.272 1.00 0.00 C ATOM 759 O PRO A 53 9.004 1.662 9.804 1.00 0.00 O ATOM 760 CB PRO A 53 7.845 1.972 12.699 1.00 0.00 C ATOM 761 CG PRO A 53 8.115 0.517 12.874 1.00 0.00 C ATOM 762 CD PRO A 53 7.006 -0.195 12.154 1.00 0.00 C ATOM 0 HA PRO A 53 6.417 2.852 11.266 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.765 2.554 12.751 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.185 2.349 13.481 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.086 0.247 12.460 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.132 0.247 13.930 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.334 -1.157 11.759 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.160 -0.392 12.812 1.00 0.00 H new ATOM 770 N CYS A 54 8.219 3.769 9.907 1.00 0.00 N ATOM 771 CA CYS A 54 9.150 4.284 8.910 1.00 0.00 C ATOM 772 C CYS A 54 8.843 5.748 8.595 1.00 0.00 C ATOM 773 O CYS A 54 9.752 6.550 8.377 1.00 0.00 O ATOM 774 CB CYS A 54 9.087 3.420 7.639 1.00 0.00 C ATOM 775 SG CYS A 54 9.460 4.294 6.080 1.00 0.00 S ATOM 0 H CYS A 54 7.581 4.468 10.288 1.00 0.00 H new ATOM 0 HA CYS A 54 10.162 4.235 9.311 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.787 2.592 7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.090 2.987 7.563 1.00 0.00 H new ATOM 780 N GLU A 55 7.557 6.090 8.575 1.00 0.00 N ATOM 781 CA GLU A 55 7.135 7.458 8.290 1.00 0.00 C ATOM 782 C GLU A 55 6.444 8.079 9.500 1.00 0.00 C ATOM 783 O GLU A 55 6.658 9.285 9.748 1.00 0.00 O ATOM 784 CB GLU A 55 6.196 7.485 7.080 1.00 0.00 C ATOM 785 CG GLU A 55 6.755 8.259 5.897 1.00 0.00 C ATOM 786 CD GLU A 55 6.852 9.748 6.168 1.00 0.00 C ATOM 787 OE1 GLU A 55 5.795 10.412 6.213 1.00 0.00 O ATOM 788 OE2 GLU A 55 7.983 10.249 6.337 1.00 0.00 O ATOM 789 OXT GLU A 55 5.694 7.357 10.189 1.00 0.00 O ATOM 0 H GLU A 55 6.791 5.440 8.752 1.00 0.00 H new ATOM 0 HA GLU A 55 8.025 8.045 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.988 6.461 6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.245 7.928 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.744 7.873 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.121 8.092 5.026 1.00 0.00 H new TER 796 GLU A 55