USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 479 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 LEU N :NH3+ 151:sc= -0.463 (180deg=-1.62!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 134:sc= -0.113 (180deg=-0.704) USER MOD Single : A 12 GLN : amide:sc= -0.631 X(o=-0.63,f=-0.52) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.18) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.034) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.276) USER MOD Single : A 29 TYR OH : rot 15:sc= -1.07 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.403 K(o=-0.4,f=-2.6!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.087 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -2.95 K(o=-2.9,f=-8.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0241) USER MOD Single : A 64 ASN : amide:sc= -2.78 K(o=-2.8,f=-5.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.901 -0.374 0.307 1.00 0.00 N ATOM 2 CA LEU A 1 1.341 0.035 -1.022 1.00 0.00 C ATOM 3 C LEU A 1 0.880 -0.963 -2.080 1.00 0.00 C ATOM 4 O LEU A 1 0.077 -1.854 -1.801 1.00 0.00 O ATOM 5 CB LEU A 1 2.865 0.166 -1.058 1.00 0.00 C ATOM 6 CG LEU A 1 3.653 -1.144 -0.996 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.982 -1.002 -1.721 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.874 -1.564 0.450 1.00 0.00 C ATOM 0 H1 LEU A 1 1.575 -0.025 1.018 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.041 0.023 0.498 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.855 -1.412 0.353 1.00 0.00 H new ATOM 0 HA LEU A 1 0.893 1.004 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.143 0.691 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.176 0.794 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 1 3.072 -1.920 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.529 -1.943 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.801 -0.747 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.570 -0.213 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.436 -2.498 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.434 -0.789 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.910 -1.707 0.939 1.00 0.00 H new ATOM 20 N THR A 2 1.394 -0.809 -3.296 1.00 0.00 N ATOM 21 CA THR A 2 1.036 -1.696 -4.395 1.00 0.00 C ATOM 22 C THR A 2 2.243 -2.497 -4.871 1.00 0.00 C ATOM 23 O THR A 2 3.338 -1.955 -5.029 1.00 0.00 O ATOM 24 CB THR A 2 0.455 -0.910 -5.586 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.611 -0.064 -5.140 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.057 -1.856 -6.661 1.00 0.00 C ATOM 0 H THR A 2 2.060 -0.078 -3.544 1.00 0.00 H new ATOM 0 HA THR A 2 0.277 -2.379 -4.014 1.00 0.00 H new ATOM 0 HB THR A 2 1.250 -0.298 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.974 0.434 -5.902 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.462 -1.278 -7.491 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.763 -2.479 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.839 -2.491 -6.245 1.00 0.00 H new ATOM 34 N CYS A 3 2.037 -3.790 -5.097 1.00 0.00 N ATOM 35 CA CYS A 3 3.109 -4.667 -5.555 1.00 0.00 C ATOM 36 C CYS A 3 2.598 -5.645 -6.609 1.00 0.00 C ATOM 37 O CYS A 3 1.490 -6.172 -6.498 1.00 0.00 O ATOM 38 CB CYS A 3 3.705 -5.437 -4.375 1.00 0.00 C ATOM 39 SG CYS A 3 3.994 -4.419 -2.893 1.00 0.00 S ATOM 0 H CYS A 3 1.138 -4.254 -4.971 1.00 0.00 H new ATOM 0 HA CYS A 3 3.885 -4.048 -6.005 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.036 -6.257 -4.115 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.650 -5.883 -4.686 1.00 0.00 H new ATOM 44 N LEU A 4 3.413 -5.883 -7.631 1.00 0.00 N ATOM 45 CA LEU A 4 3.044 -6.798 -8.706 1.00 0.00 C ATOM 46 C LEU A 4 3.502 -8.219 -8.392 1.00 0.00 C ATOM 47 O LEU A 4 4.683 -8.544 -8.521 1.00 0.00 O ATOM 48 CB LEU A 4 3.656 -6.334 -10.029 1.00 0.00 C ATOM 49 CG LEU A 4 3.866 -4.827 -10.179 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.484 -4.507 -11.531 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.550 -4.085 -10.003 1.00 0.00 C ATOM 0 H LEU A 4 4.333 -5.456 -7.738 1.00 0.00 H new ATOM 0 HA LEU A 4 1.958 -6.797 -8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.619 -6.829 -10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.015 -6.674 -10.842 1.00 0.00 H new ATOM 0 HG LEU A 4 4.553 -4.496 -9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.626 -3.430 -11.620 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.448 -5.009 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.822 -4.852 -12.325 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.719 -3.014 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.840 -4.420 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.147 -4.289 -9.011 1.00 0.00 H new ATOM 63 N ILE A 5 2.560 -9.061 -7.981 1.00 0.00 N ATOM 64 CA ILE A 5 2.866 -10.448 -7.652 1.00 0.00 C ATOM 65 C ILE A 5 2.414 -11.389 -8.763 1.00 0.00 C ATOM 66 O ILE A 5 1.457 -11.103 -9.483 1.00 0.00 O ATOM 67 CB ILE A 5 2.199 -10.873 -6.330 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.857 -11.553 -6.607 1.00 0.00 C ATOM 69 CG2 ILE A 5 2.012 -9.669 -5.420 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.186 -10.619 -7.180 1.00 0.00 C ATOM 0 H ILE A 5 1.579 -8.807 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 5 3.948 -10.515 -7.541 1.00 0.00 H new ATOM 0 HB ILE A 5 2.849 -11.587 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.014 -12.379 -7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.478 -11.983 -5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.540 -9.986 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.983 -9.224 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.379 -8.933 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.112 -11.168 -7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.371 -9.806 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.172 -10.209 -8.124 1.00 0.00 H new ATOM 82 N CYS A 6 3.107 -12.515 -8.896 1.00 0.00 N ATOM 83 CA CYS A 6 2.777 -13.501 -9.918 1.00 0.00 C ATOM 84 C CYS A 6 3.800 -14.632 -9.933 1.00 0.00 C ATOM 85 O CYS A 6 4.861 -14.535 -10.551 1.00 0.00 O ATOM 86 CB CYS A 6 2.714 -12.837 -11.295 1.00 0.00 C ATOM 87 SG CYS A 6 2.670 -14.012 -12.686 1.00 0.00 S ATOM 0 H CYS A 6 3.901 -12.767 -8.308 1.00 0.00 H new ATOM 0 HA CYS A 6 1.800 -13.922 -9.680 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.828 -12.203 -11.341 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.579 -12.185 -11.412 1.00 0.00 H new ATOM 92 N PRO A 7 3.476 -15.732 -9.238 1.00 0.00 N ATOM 93 CA PRO A 7 4.353 -16.904 -9.156 1.00 0.00 C ATOM 94 C PRO A 7 4.448 -17.651 -10.482 1.00 0.00 C ATOM 95 O PRO A 7 3.896 -18.741 -10.630 1.00 0.00 O ATOM 96 CB PRO A 7 3.679 -17.779 -8.096 1.00 0.00 C ATOM 97 CG PRO A 7 2.244 -17.381 -8.134 1.00 0.00 C ATOM 98 CD PRO A 7 2.229 -15.917 -8.478 1.00 0.00 C ATOM 0 HA PRO A 7 5.379 -16.629 -8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.802 -18.839 -8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.111 -17.610 -7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.697 -17.962 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.764 -17.561 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.354 -15.653 -9.072 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.207 -15.294 -7.584 1.00 0.00 H new ATOM 106 N GLU A 8 5.150 -17.058 -11.442 1.00 0.00 N ATOM 107 CA GLU A 8 5.315 -17.669 -12.755 1.00 0.00 C ATOM 108 C GLU A 8 6.642 -17.254 -13.385 1.00 0.00 C ATOM 109 O GLU A 8 7.443 -16.552 -12.768 1.00 0.00 O ATOM 110 CB GLU A 8 4.157 -17.276 -13.675 1.00 0.00 C ATOM 111 CG GLU A 8 2.794 -17.697 -13.151 1.00 0.00 C ATOM 112 CD GLU A 8 2.636 -19.204 -13.083 1.00 0.00 C ATOM 113 OE1 GLU A 8 3.172 -19.897 -13.973 1.00 0.00 O ATOM 114 OE2 GLU A 8 1.976 -19.690 -12.140 1.00 0.00 O ATOM 0 H GLU A 8 5.613 -16.156 -11.335 1.00 0.00 H new ATOM 0 HA GLU A 8 5.316 -18.751 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.165 -16.195 -13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.315 -17.725 -14.656 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.644 -17.274 -12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.018 -17.282 -13.794 1.00 0.00 H new ATOM 121 N LYS A 9 6.867 -17.693 -14.619 1.00 0.00 N ATOM 122 CA LYS A 9 8.095 -17.369 -15.335 1.00 0.00 C ATOM 123 C LYS A 9 8.129 -15.893 -15.716 1.00 0.00 C ATOM 124 O LYS A 9 8.931 -15.123 -15.188 1.00 0.00 O ATOM 125 CB LYS A 9 8.221 -18.234 -16.591 1.00 0.00 C ATOM 126 CG LYS A 9 7.795 -19.677 -16.381 1.00 0.00 C ATOM 127 CD LYS A 9 8.437 -20.274 -15.140 1.00 0.00 C ATOM 128 CE LYS A 9 8.262 -21.784 -15.094 1.00 0.00 C ATOM 129 NZ LYS A 9 8.868 -22.449 -16.280 1.00 0.00 N ATOM 0 H LYS A 9 6.214 -18.275 -15.144 1.00 0.00 H new ATOM 0 HA LYS A 9 8.937 -17.575 -14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.616 -17.797 -17.385 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.256 -18.215 -16.932 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.710 -19.727 -16.290 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.070 -20.269 -17.254 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.499 -20.029 -15.125 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.994 -19.828 -14.249 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.719 -22.175 -14.185 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.200 -22.025 -15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.425 -23.271 -15.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.115 -22.764 -16.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.488 -21.777 -16.775 1.00 0.00 H new ATOM 143 N ASP A 10 7.252 -15.504 -16.636 1.00 0.00 N ATOM 144 CA ASP A 10 7.179 -14.119 -17.086 1.00 0.00 C ATOM 145 C ASP A 10 5.764 -13.571 -16.934 1.00 0.00 C ATOM 146 O ASP A 10 4.907 -13.789 -17.791 1.00 0.00 O ATOM 147 CB ASP A 10 7.628 -14.010 -18.544 1.00 0.00 C ATOM 148 CG ASP A 10 9.090 -13.630 -18.673 1.00 0.00 C ATOM 149 OD1 ASP A 10 9.950 -14.521 -18.517 1.00 0.00 O ATOM 150 OD2 ASP A 10 9.374 -12.441 -18.929 1.00 0.00 O ATOM 0 H ASP A 10 6.582 -16.129 -17.084 1.00 0.00 H new ATOM 0 HA ASP A 10 7.847 -13.525 -16.463 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.458 -14.963 -19.046 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.016 -13.267 -19.055 1.00 0.00 H new ATOM 155 N CYS A 11 5.524 -12.860 -15.837 1.00 0.00 N ATOM 156 CA CYS A 11 4.212 -12.282 -15.571 1.00 0.00 C ATOM 157 C CYS A 11 4.213 -11.514 -14.253 1.00 0.00 C ATOM 158 O CYS A 11 4.856 -11.922 -13.286 1.00 0.00 O ATOM 159 CB CYS A 11 3.147 -13.380 -15.533 1.00 0.00 C ATOM 160 SG CYS A 11 1.821 -13.087 -14.319 1.00 0.00 S ATOM 0 H CYS A 11 6.222 -12.670 -15.118 1.00 0.00 H new ATOM 0 HA CYS A 11 3.979 -11.586 -16.377 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.703 -13.475 -16.524 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.629 -14.331 -15.307 1.00 0.00 H new ATOM 165 N GLN A 12 3.490 -10.399 -14.224 1.00 0.00 N ATOM 166 CA GLN A 12 3.408 -9.574 -13.025 1.00 0.00 C ATOM 167 C GLN A 12 2.026 -8.941 -12.893 1.00 0.00 C ATOM 168 O GLN A 12 1.657 -8.063 -13.672 1.00 0.00 O ATOM 169 CB GLN A 12 4.480 -8.483 -13.056 1.00 0.00 C ATOM 170 CG GLN A 12 4.594 -7.782 -14.400 1.00 0.00 C ATOM 171 CD GLN A 12 5.521 -8.504 -15.358 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.112 -8.915 -16.445 1.00 0.00 O ATOM 173 NE2 GLN A 12 6.778 -8.662 -14.961 1.00 0.00 N ATOM 0 H GLN A 12 2.953 -10.047 -15.016 1.00 0.00 H new ATOM 0 HA GLN A 12 3.578 -10.216 -12.161 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.256 -7.743 -12.287 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.444 -8.925 -12.803 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.604 -7.702 -14.849 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.957 -6.766 -14.246 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.074 -8.306 -14.052 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.447 -9.140 -15.565 1.00 0.00 H new ATOM 182 N LYS A 13 1.266 -9.393 -11.901 1.00 0.00 N ATOM 183 CA LYS A 13 -0.074 -8.871 -11.665 1.00 0.00 C ATOM 184 C LYS A 13 -0.085 -7.915 -10.476 1.00 0.00 C ATOM 185 O LYS A 13 0.342 -8.269 -9.377 1.00 0.00 O ATOM 186 CB LYS A 13 -1.055 -10.020 -11.416 1.00 0.00 C ATOM 187 CG LYS A 13 -2.467 -9.728 -11.893 1.00 0.00 C ATOM 188 CD LYS A 13 -2.699 -10.246 -13.302 1.00 0.00 C ATOM 189 CE LYS A 13 -2.359 -9.193 -14.346 1.00 0.00 C ATOM 190 NZ LYS A 13 -3.159 -9.367 -15.590 1.00 0.00 N ATOM 0 H LYS A 13 1.556 -10.120 -11.247 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.384 -8.322 -12.554 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.688 -10.915 -11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.079 -10.241 -10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.184 -10.188 -11.213 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.646 -8.653 -11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.091 -11.135 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.741 -10.547 -13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.540 -8.201 -13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.297 -9.249 -14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.898 -8.630 -16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.967 -10.304 -15.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.171 -9.288 -15.366 1.00 0.00 H new ATOM 204 N VAL A 14 -0.576 -6.701 -10.704 1.00 0.00 N ATOM 205 CA VAL A 14 -0.644 -5.694 -9.652 1.00 0.00 C ATOM 206 C VAL A 14 -1.438 -6.203 -8.454 1.00 0.00 C ATOM 207 O VAL A 14 -2.409 -6.945 -8.609 1.00 0.00 O ATOM 208 CB VAL A 14 -1.286 -4.391 -10.163 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.550 -3.878 -11.391 1.00 0.00 C ATOM 210 CG2 VAL A 14 -2.761 -4.608 -10.467 1.00 0.00 C ATOM 0 H VAL A 14 -0.933 -6.391 -11.608 1.00 0.00 H new ATOM 0 HA VAL A 14 0.381 -5.489 -9.344 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.207 -3.636 -9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.018 -2.957 -11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.491 -3.682 -11.136 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.595 -4.627 -12.181 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.199 -3.677 -10.827 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.865 -5.378 -11.232 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.277 -4.925 -9.560 1.00 0.00 H new ATOM 220 N HIS A 15 -1.019 -5.801 -7.259 1.00 0.00 N ATOM 221 CA HIS A 15 -1.692 -6.216 -6.033 1.00 0.00 C ATOM 222 C HIS A 15 -1.666 -5.099 -4.994 1.00 0.00 C ATOM 223 O HIS A 15 -0.881 -4.156 -5.099 1.00 0.00 O ATOM 224 CB HIS A 15 -1.033 -7.472 -5.464 1.00 0.00 C ATOM 225 CG HIS A 15 -1.998 -8.409 -4.805 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.042 -8.608 -3.441 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.960 -9.203 -5.331 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.988 -9.484 -3.157 1.00 0.00 C ATOM 229 NE2 HIS A 15 -3.561 -9.861 -4.286 1.00 0.00 N ATOM 0 H HIS A 15 -0.217 -5.188 -7.113 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.731 -6.438 -6.276 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.519 -7.999 -6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.273 -7.177 -4.740 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.209 -9.301 -6.377 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.249 -9.833 -2.169 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.325 -10.532 -4.368 1.00 0.00 H new ATOM 237 N THR A 16 -2.532 -5.210 -3.991 1.00 0.00 N ATOM 238 CA THR A 16 -2.610 -4.209 -2.934 1.00 0.00 C ATOM 239 C THR A 16 -2.295 -4.820 -1.574 1.00 0.00 C ATOM 240 O THR A 16 -3.045 -5.656 -1.069 1.00 0.00 O ATOM 241 CB THR A 16 -4.004 -3.556 -2.881 1.00 0.00 C ATOM 242 OG1 THR A 16 -4.778 -3.960 -4.016 1.00 0.00 O ATOM 243 CG2 THR A 16 -3.890 -2.039 -2.852 1.00 0.00 C ATOM 0 H THR A 16 -3.189 -5.983 -3.889 1.00 0.00 H new ATOM 0 HA THR A 16 -1.868 -3.445 -3.166 1.00 0.00 H new ATOM 0 HB THR A 16 -4.501 -3.885 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.663 -3.542 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.887 -1.600 -2.815 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.326 -1.733 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.376 -1.696 -3.750 1.00 0.00 H new ATOM 251 N CYS A 17 -1.182 -4.398 -0.984 1.00 0.00 N ATOM 252 CA CYS A 17 -0.767 -4.903 0.319 1.00 0.00 C ATOM 253 C CYS A 17 -1.110 -3.907 1.423 1.00 0.00 C ATOM 254 O CYS A 17 -0.300 -3.048 1.772 1.00 0.00 O ATOM 255 CB CYS A 17 0.736 -5.190 0.324 1.00 0.00 C ATOM 256 SG CYS A 17 1.156 -6.958 0.445 1.00 0.00 S ATOM 0 H CYS A 17 -0.550 -3.707 -1.388 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.307 -5.830 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.175 -4.785 -0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.193 -4.661 1.160 1.00 0.00 H new ATOM 261 N ARG A 18 -2.315 -4.029 1.970 1.00 0.00 N ATOM 262 CA ARG A 18 -2.766 -3.140 3.033 1.00 0.00 C ATOM 263 C ARG A 18 -2.474 -3.741 4.405 1.00 0.00 C ATOM 264 O ARG A 18 -3.046 -3.323 5.411 1.00 0.00 O ATOM 265 CB ARG A 18 -4.264 -2.862 2.894 1.00 0.00 C ATOM 266 CG ARG A 18 -4.683 -2.474 1.486 1.00 0.00 C ATOM 267 CD ARG A 18 -6.153 -2.088 1.429 1.00 0.00 C ATOM 268 NE ARG A 18 -6.371 -0.700 1.828 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.574 -0.169 2.013 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.662 -0.906 1.837 1.00 0.00 N ATOM 271 NH2 ARG A 18 -7.691 1.102 2.377 1.00 0.00 N ATOM 0 H ARG A 18 -2.997 -4.736 1.694 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.220 -2.201 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.819 -3.749 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.542 -2.062 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.073 -1.639 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.498 -3.307 0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.528 -2.237 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.726 -2.747 2.081 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.554 -0.106 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.576 -1.884 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.585 -0.495 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.856 1.672 2.515 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.616 1.509 2.519 1.00 0.00 H new ATOM 285 N ASN A 19 -1.581 -4.724 4.436 1.00 0.00 N ATOM 286 CA ASN A 19 -1.214 -5.384 5.684 1.00 0.00 C ATOM 287 C ASN A 19 -0.320 -4.484 6.533 1.00 0.00 C ATOM 288 O ASN A 19 -0.158 -3.300 6.239 1.00 0.00 O ATOM 289 CB ASN A 19 -0.499 -6.705 5.396 1.00 0.00 C ATOM 290 CG ASN A 19 -1.207 -7.527 4.336 1.00 0.00 C ATOM 291 OD1 ASN A 19 -2.261 -8.110 4.588 1.00 0.00 O ATOM 292 ND2 ASN A 19 -0.629 -7.575 3.141 1.00 0.00 N ATOM 0 H ASN A 19 -1.098 -5.081 3.612 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.129 -5.588 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.521 -6.500 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.430 -7.286 6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.059 -8.111 2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.245 -7.076 2.977 1.00 0.00 H new ATOM 299 N GLU A 20 0.257 -5.056 7.585 1.00 0.00 N ATOM 300 CA GLU A 20 1.133 -4.305 8.476 1.00 0.00 C ATOM 301 C GLU A 20 2.587 -4.406 8.022 1.00 0.00 C ATOM 302 O GLU A 20 3.485 -4.640 8.830 1.00 0.00 O ATOM 303 CB GLU A 20 0.999 -4.818 9.912 1.00 0.00 C ATOM 304 CG GLU A 20 -0.420 -4.754 10.451 1.00 0.00 C ATOM 305 CD GLU A 20 -0.522 -5.240 11.883 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.534 -5.457 12.514 1.00 0.00 O ATOM 307 OE2 GLU A 20 -1.659 -5.402 12.375 1.00 0.00 O ATOM 0 H GLU A 20 0.134 -6.036 7.841 1.00 0.00 H new ATOM 0 HA GLU A 20 0.831 -3.258 8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.349 -5.850 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.652 -4.233 10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.781 -3.727 10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.072 -5.357 9.819 1.00 0.00 H new ATOM 314 N GLU A 21 2.808 -4.228 6.723 1.00 0.00 N ATOM 315 CA GLU A 21 4.152 -4.301 6.161 1.00 0.00 C ATOM 316 C GLU A 21 4.545 -2.975 5.518 1.00 0.00 C ATOM 317 O GLU A 21 3.851 -1.969 5.666 1.00 0.00 O ATOM 318 CB GLU A 21 4.237 -5.427 5.128 1.00 0.00 C ATOM 319 CG GLU A 21 3.585 -6.721 5.584 1.00 0.00 C ATOM 320 CD GLU A 21 4.329 -7.378 6.730 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.253 -6.742 7.279 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.987 -8.528 7.078 1.00 0.00 O ATOM 0 H GLU A 21 2.075 -4.033 6.041 1.00 0.00 H new ATOM 0 HA GLU A 21 4.847 -4.511 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.763 -5.097 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.285 -5.619 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.559 -6.518 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.535 -7.414 4.744 1.00 0.00 H new ATOM 329 N LYS A 22 5.665 -2.980 4.803 1.00 0.00 N ATOM 330 CA LYS A 22 6.153 -1.779 4.135 1.00 0.00 C ATOM 331 C LYS A 22 6.681 -2.107 2.742 1.00 0.00 C ATOM 332 O LYS A 22 6.436 -1.371 1.786 1.00 0.00 O ATOM 333 CB LYS A 22 7.255 -1.119 4.968 1.00 0.00 C ATOM 334 CG LYS A 22 6.800 -0.700 6.355 1.00 0.00 C ATOM 335 CD LYS A 22 6.798 0.812 6.507 1.00 0.00 C ATOM 336 CE LYS A 22 5.404 1.390 6.315 1.00 0.00 C ATOM 337 NZ LYS A 22 5.308 2.787 6.819 1.00 0.00 N ATOM 0 H LYS A 22 6.252 -3.803 4.671 1.00 0.00 H new ATOM 0 HA LYS A 22 5.318 -1.086 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.091 -1.812 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.626 -0.243 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.798 -1.087 6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.458 -1.141 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.171 1.080 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.479 1.253 5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.144 1.367 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.677 0.766 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.343 3.144 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.531 2.806 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.983 3.389 6.305 1.00 0.00 H new ATOM 351 N ILE A 23 7.406 -3.216 2.635 1.00 0.00 N ATOM 352 CA ILE A 23 7.965 -3.642 1.359 1.00 0.00 C ATOM 353 C ILE A 23 7.431 -5.012 0.954 1.00 0.00 C ATOM 354 O ILE A 23 6.816 -5.713 1.758 1.00 0.00 O ATOM 355 CB ILE A 23 9.503 -3.697 1.409 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.965 -4.869 2.278 1.00 0.00 C ATOM 357 CG2 ILE A 23 10.064 -2.386 1.938 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.612 -5.987 1.490 1.00 0.00 C ATOM 0 H ILE A 23 7.620 -3.835 3.417 1.00 0.00 H new ATOM 0 HA ILE A 23 7.660 -2.903 0.618 1.00 0.00 H new ATOM 0 HB ILE A 23 9.879 -3.848 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.673 -4.503 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.109 -5.267 2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.152 -2.441 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.760 -1.569 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.683 -2.206 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.915 -6.783 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.900 -6.380 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.488 -5.604 0.967 1.00 0.00 H new ATOM 370 N CYS A 24 7.672 -5.389 -0.297 1.00 0.00 N ATOM 371 CA CYS A 24 7.218 -6.676 -0.809 1.00 0.00 C ATOM 372 C CYS A 24 8.389 -7.491 -1.348 1.00 0.00 C ATOM 373 O CYS A 24 9.268 -6.962 -2.029 1.00 0.00 O ATOM 374 CB CYS A 24 6.176 -6.470 -1.911 1.00 0.00 C ATOM 375 SG CYS A 24 4.736 -5.479 -1.397 1.00 0.00 S ATOM 0 H CYS A 24 8.180 -4.821 -0.975 1.00 0.00 H new ATOM 0 HA CYS A 24 6.764 -7.227 0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.654 -5.983 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.829 -7.444 -2.255 1.00 0.00 H new ATOM 380 N VAL A 25 8.395 -8.784 -1.038 1.00 0.00 N ATOM 381 CA VAL A 25 9.458 -9.674 -1.492 1.00 0.00 C ATOM 382 C VAL A 25 8.912 -11.059 -1.820 1.00 0.00 C ATOM 383 O VAL A 25 7.948 -11.520 -1.208 1.00 0.00 O ATOM 384 CB VAL A 25 10.567 -9.809 -0.432 1.00 0.00 C ATOM 385 CG1 VAL A 25 10.009 -10.403 0.852 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.713 -10.656 -0.966 1.00 0.00 C ATOM 0 H VAL A 25 7.676 -9.238 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 25 9.880 -9.230 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 25 10.953 -8.815 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.807 -10.491 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.225 -9.754 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.595 -11.390 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.488 -10.741 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.343 -11.649 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.130 -10.185 -1.856 1.00 0.00 H new ATOM 396 N LYS A 26 9.534 -11.720 -2.790 1.00 0.00 N ATOM 397 CA LYS A 26 9.113 -13.054 -3.200 1.00 0.00 C ATOM 398 C LYS A 26 10.314 -13.982 -3.350 1.00 0.00 C ATOM 399 O LYS A 26 11.410 -13.542 -3.700 1.00 0.00 O ATOM 400 CB LYS A 26 8.341 -12.985 -4.520 1.00 0.00 C ATOM 401 CG LYS A 26 8.371 -14.281 -5.311 1.00 0.00 C ATOM 402 CD LYS A 26 7.372 -14.259 -6.456 1.00 0.00 C ATOM 403 CE LYS A 26 8.056 -13.990 -7.787 1.00 0.00 C ATOM 404 NZ LYS A 26 8.740 -15.204 -8.314 1.00 0.00 N ATOM 0 H LYS A 26 10.333 -11.353 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 26 8.460 -13.455 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.304 -12.720 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.757 -12.185 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.374 -14.445 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.148 -15.118 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.848 -15.214 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.621 -13.491 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.318 -13.645 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.783 -13.187 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.358 -14.938 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.311 -15.636 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.029 -15.887 -8.644 1.00 0.00 H new ATOM 418 N ARG A 27 10.101 -15.267 -3.085 1.00 0.00 N ATOM 419 CA ARG A 27 11.167 -16.256 -3.191 1.00 0.00 C ATOM 420 C ARG A 27 10.692 -17.486 -3.959 1.00 0.00 C ATOM 421 O ARG A 27 9.604 -18.005 -3.709 1.00 0.00 O ATOM 422 CB ARG A 27 11.651 -16.666 -1.799 1.00 0.00 C ATOM 423 CG ARG A 27 11.754 -15.505 -0.824 1.00 0.00 C ATOM 424 CD ARG A 27 12.630 -15.855 0.369 1.00 0.00 C ATOM 425 NE ARG A 27 11.869 -16.494 1.438 1.00 0.00 N ATOM 426 CZ ARG A 27 12.346 -16.693 2.662 1.00 0.00 C ATOM 427 NH1 ARG A 27 13.575 -16.304 2.970 1.00 0.00 N ATOM 428 NH2 ARG A 27 11.592 -17.282 3.582 1.00 0.00 N ATOM 0 H ARG A 27 9.200 -15.647 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 27 11.995 -15.805 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.969 -17.412 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.627 -17.142 -1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.165 -14.634 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.758 -15.230 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.432 -16.520 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.101 -14.949 0.751 1.00 0.00 H new ATOM 0 HE ARG A 27 10.919 -16.805 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.158 -15.850 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.938 -16.458 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.645 -17.582 3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.959 -17.434 4.521 1.00 0.00 H new ATOM 442 N PHE A 28 11.515 -17.948 -4.894 1.00 0.00 N ATOM 443 CA PHE A 28 11.180 -19.116 -5.700 1.00 0.00 C ATOM 444 C PHE A 28 12.397 -20.016 -5.887 1.00 0.00 C ATOM 445 O PHE A 28 13.538 -19.560 -5.808 1.00 0.00 O ATOM 446 CB PHE A 28 10.637 -18.683 -7.063 1.00 0.00 C ATOM 447 CG PHE A 28 11.672 -18.041 -7.944 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.457 -18.811 -8.786 1.00 0.00 C ATOM 449 CD2 PHE A 28 11.859 -16.669 -7.928 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.410 -18.224 -9.597 1.00 0.00 C ATOM 451 CE2 PHE A 28 12.809 -16.076 -8.738 1.00 0.00 C ATOM 452 CZ PHE A 28 13.587 -16.855 -9.573 1.00 0.00 C ATOM 0 H PHE A 28 12.420 -17.531 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 28 10.411 -19.681 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.225 -19.553 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.815 -17.983 -6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.323 -19.882 -8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.256 -16.055 -7.275 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.016 -18.836 -10.249 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.943 -15.005 -8.718 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.332 -16.394 -10.205 1.00 0.00 H new ATOM 462 N TYR A 29 12.146 -21.297 -6.134 1.00 0.00 N ATOM 463 CA TYR A 29 13.221 -22.262 -6.329 1.00 0.00 C ATOM 464 C TYR A 29 13.057 -22.999 -7.655 1.00 0.00 C ATOM 465 O TYR A 29 11.940 -23.285 -8.085 1.00 0.00 O ATOM 466 CB TYR A 29 13.249 -23.266 -5.175 1.00 0.00 C ATOM 467 CG TYR A 29 14.633 -23.784 -4.857 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.188 -24.833 -5.581 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.388 -23.225 -3.833 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.452 -25.310 -5.293 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.653 -23.695 -3.539 1.00 0.00 C ATOM 472 CZ TYR A 29 17.181 -24.738 -4.271 1.00 0.00 C ATOM 473 OH TYR A 29 18.441 -25.209 -3.982 1.00 0.00 O ATOM 0 H TYR A 29 11.208 -21.691 -6.204 1.00 0.00 H new ATOM 0 HA TYR A 29 14.165 -21.717 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.833 -22.795 -4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.603 -24.108 -5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.621 -25.283 -6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.978 -22.409 -3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.867 -26.127 -5.865 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.226 -23.248 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 29 18.759 -25.767 -4.722 1.00 0.00 H new ATOM 483 N ASP A 30 14.180 -23.305 -8.297 1.00 0.00 N ATOM 484 CA ASP A 30 14.163 -24.010 -9.573 1.00 0.00 C ATOM 485 C ASP A 30 15.022 -25.269 -9.510 1.00 0.00 C ATOM 486 O ASP A 30 16.205 -25.210 -9.174 1.00 0.00 O ATOM 487 CB ASP A 30 14.660 -23.094 -10.693 1.00 0.00 C ATOM 488 CG ASP A 30 16.072 -22.598 -10.451 1.00 0.00 C ATOM 489 OD1 ASP A 30 16.239 -21.645 -9.660 1.00 0.00 O ATOM 490 OD2 ASP A 30 17.010 -23.162 -11.051 1.00 0.00 O ATOM 0 H ASP A 30 15.113 -23.076 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 30 13.135 -24.304 -9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.624 -23.631 -11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.989 -22.240 -10.785 1.00 0.00 H new ATOM 495 N LYS A 31 14.418 -26.408 -9.834 1.00 0.00 N ATOM 496 CA LYS A 31 15.127 -27.682 -9.814 1.00 0.00 C ATOM 497 C LYS A 31 14.480 -28.678 -10.771 1.00 0.00 C ATOM 498 O LYS A 31 13.300 -28.562 -11.100 1.00 0.00 O ATOM 499 CB LYS A 31 15.143 -28.258 -8.396 1.00 0.00 C ATOM 500 CG LYS A 31 16.251 -29.271 -8.165 1.00 0.00 C ATOM 501 CD LYS A 31 16.190 -29.853 -6.762 1.00 0.00 C ATOM 502 CE LYS A 31 16.584 -28.824 -5.714 1.00 0.00 C ATOM 503 NZ LYS A 31 17.023 -29.466 -4.444 1.00 0.00 N ATOM 0 H LYS A 31 13.439 -26.474 -10.113 1.00 0.00 H new ATOM 0 HA LYS A 31 16.152 -27.505 -10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.254 -27.442 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.182 -28.730 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.169 -30.074 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.219 -28.795 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.181 -30.212 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 31 16.854 -30.715 -6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.389 -28.200 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.738 -28.166 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.283 -28.731 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.247 -30.042 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.846 -30.074 -4.629 1.00 0.00 H new ATOM 574 N TRP A 36 9.916 -26.086 -9.937 1.00 0.00 N ATOM 575 CA TRP A 36 9.720 -24.646 -10.060 1.00 0.00 C ATOM 576 C TRP A 36 8.577 -24.175 -9.168 1.00 0.00 C ATOM 577 O TRP A 36 7.406 -24.396 -9.474 1.00 0.00 O ATOM 578 CB TRP A 36 9.435 -24.272 -11.515 1.00 0.00 C ATOM 579 CG TRP A 36 9.688 -22.826 -11.817 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.818 -21.788 -11.642 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.890 -22.259 -12.350 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.407 -20.610 -12.033 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.678 -20.872 -12.470 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.125 -22.788 -12.734 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.656 -20.010 -12.960 1.00 0.00 C ATOM 586 CZ3 TRP A 36 13.094 -21.932 -13.220 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.856 -20.555 -13.329 1.00 0.00 C ATOM 0 HA TRP A 36 10.636 -24.151 -9.738 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.055 -24.886 -12.169 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.396 -24.508 -11.747 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.815 -21.880 -11.253 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.969 -19.690 -12.003 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.318 -23.847 -12.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.474 -18.949 -13.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.052 -22.331 -13.521 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.635 -19.912 -13.712 1.00 0.00 H new ATOM 598 N ARG A 37 8.925 -23.523 -8.063 1.00 0.00 N ATOM 599 CA ARG A 37 7.928 -23.021 -7.125 1.00 0.00 C ATOM 600 C ARG A 37 8.261 -21.598 -6.687 1.00 0.00 C ATOM 601 O ARG A 37 9.409 -21.290 -6.367 1.00 0.00 O ATOM 602 CB ARG A 37 7.840 -23.936 -5.902 1.00 0.00 C ATOM 603 CG ARG A 37 7.095 -25.234 -6.165 1.00 0.00 C ATOM 604 CD ARG A 37 6.804 -25.981 -4.873 1.00 0.00 C ATOM 605 NE ARG A 37 6.045 -25.165 -3.928 1.00 0.00 N ATOM 606 CZ ARG A 37 5.678 -25.587 -2.723 1.00 0.00 C ATOM 607 NH1 ARG A 37 5.997 -26.809 -2.319 1.00 0.00 N ATOM 608 NH2 ARG A 37 4.989 -24.786 -1.920 1.00 0.00 N ATOM 0 H ARG A 37 9.890 -23.330 -7.796 1.00 0.00 H new ATOM 0 HA ARG A 37 6.963 -23.010 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.848 -24.169 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.344 -23.400 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.159 -25.019 -6.681 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.686 -25.867 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.245 -26.890 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.743 -26.289 -4.413 1.00 0.00 H new ATOM 0 HE ARG A 37 5.783 -24.220 -4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.526 -27.428 -2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.714 -27.130 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.741 -23.846 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.707 -25.111 -0.995 1.00 0.00 H new ATOM 622 N ALA A 38 7.250 -20.736 -6.675 1.00 0.00 N ATOM 623 CA ALA A 38 7.435 -19.347 -6.274 1.00 0.00 C ATOM 624 C ALA A 38 6.393 -18.929 -5.243 1.00 0.00 C ATOM 625 O ALA A 38 5.268 -19.429 -5.247 1.00 0.00 O ATOM 626 CB ALA A 38 7.374 -18.434 -7.490 1.00 0.00 C ATOM 0 H ALA A 38 6.294 -20.975 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 38 8.419 -19.256 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.514 -17.400 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.161 -18.710 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.403 -18.538 -7.975 1.00 0.00 H new ATOM 632 N GLN A 39 6.774 -18.010 -4.361 1.00 0.00 N ATOM 633 CA GLN A 39 5.871 -17.527 -3.324 1.00 0.00 C ATOM 634 C GLN A 39 6.231 -16.105 -2.908 1.00 0.00 C ATOM 635 O GLN A 39 7.385 -15.813 -2.591 1.00 0.00 O ATOM 636 CB GLN A 39 5.916 -18.453 -2.107 1.00 0.00 C ATOM 637 CG GLN A 39 4.601 -18.525 -1.348 1.00 0.00 C ATOM 638 CD GLN A 39 4.485 -17.456 -0.279 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.491 -16.954 0.224 1.00 0.00 O ATOM 640 NE2 GLN A 39 3.255 -17.101 0.073 1.00 0.00 N ATOM 0 H GLN A 39 7.701 -17.586 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 39 4.860 -17.522 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.193 -19.455 -2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.699 -18.111 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.774 -18.422 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.506 -19.508 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.450 -17.543 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.115 -16.386 0.787 1.00 0.00 H new ATOM 649 N ARG A 40 5.237 -15.222 -2.911 1.00 0.00 N ATOM 650 CA ARG A 40 5.450 -13.830 -2.536 1.00 0.00 C ATOM 651 C ARG A 40 5.120 -13.608 -1.063 1.00 0.00 C ATOM 652 O ARG A 40 4.565 -14.483 -0.401 1.00 0.00 O ATOM 653 CB ARG A 40 4.593 -12.908 -3.406 1.00 0.00 C ATOM 654 CG ARG A 40 5.197 -11.528 -3.609 1.00 0.00 C ATOM 655 CD ARG A 40 5.269 -11.163 -5.084 1.00 0.00 C ATOM 656 NE ARG A 40 6.607 -10.731 -5.477 1.00 0.00 N ATOM 657 CZ ARG A 40 7.090 -10.861 -6.707 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.348 -11.407 -7.660 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.318 -10.443 -6.987 1.00 0.00 N ATOM 0 H ARG A 40 4.276 -15.447 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 40 6.502 -13.594 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.443 -13.376 -4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.609 -12.801 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.600 -10.787 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.197 -11.500 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.975 -12.024 -5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.555 -10.367 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 40 7.204 -10.306 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.403 -11.729 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.722 -11.505 -8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.892 -10.021 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.688 -10.543 -7.932 1.00 0.00 H new ATOM 673 N GLY A 41 5.468 -12.429 -0.555 1.00 0.00 N ATOM 674 CA GLY A 41 5.202 -12.113 0.836 1.00 0.00 C ATOM 675 C GLY A 41 5.589 -10.691 1.192 1.00 0.00 C ATOM 676 O GLY A 41 6.700 -10.250 0.898 1.00 0.00 O ATOM 0 H GLY A 41 5.929 -11.688 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.142 -12.260 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.750 -12.806 1.474 1.00 0.00 H new ATOM 680 N CYS A 42 4.669 -9.970 1.826 1.00 0.00 N ATOM 681 CA CYS A 42 4.918 -8.589 2.220 1.00 0.00 C ATOM 682 C CYS A 42 5.537 -8.525 3.614 1.00 0.00 C ATOM 683 O CYS A 42 5.043 -9.148 4.553 1.00 0.00 O ATOM 684 CB CYS A 42 3.616 -7.786 2.191 1.00 0.00 C ATOM 685 SG CYS A 42 3.138 -7.205 0.532 1.00 0.00 S ATOM 0 H CYS A 42 3.745 -10.320 2.077 1.00 0.00 H new ATOM 0 HA CYS A 42 5.621 -8.155 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.812 -8.402 2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.718 -6.924 2.851 1.00 0.00 H new ATOM 690 N ALA A 43 6.621 -7.766 3.739 1.00 0.00 N ATOM 691 CA ALA A 43 7.306 -7.617 5.017 1.00 0.00 C ATOM 692 C ALA A 43 7.796 -6.187 5.215 1.00 0.00 C ATOM 693 O ALA A 43 7.492 -5.300 4.417 1.00 0.00 O ATOM 694 CB ALA A 43 8.469 -8.593 5.109 1.00 0.00 C ATOM 0 H ALA A 43 7.044 -7.245 2.971 1.00 0.00 H new ATOM 0 HA ALA A 43 6.594 -7.841 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.972 -8.471 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.095 -9.613 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.175 -8.395 4.302 1.00 0.00 H new ATOM 700 N VAL A 44 8.556 -5.969 6.283 1.00 0.00 N ATOM 701 CA VAL A 44 9.088 -4.646 6.585 1.00 0.00 C ATOM 702 C VAL A 44 10.606 -4.620 6.450 1.00 0.00 C ATOM 703 O VAL A 44 11.256 -3.642 6.817 1.00 0.00 O ATOM 704 CB VAL A 44 8.703 -4.197 8.007 1.00 0.00 C ATOM 705 CG1 VAL A 44 7.253 -3.740 8.049 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.945 -5.320 9.004 1.00 0.00 C ATOM 0 H VAL A 44 8.817 -6.692 6.954 1.00 0.00 H new ATOM 0 HA VAL A 44 8.650 -3.957 5.863 1.00 0.00 H new ATOM 0 HB VAL A 44 9.333 -3.352 8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.999 -3.427 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.115 -2.903 7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.603 -4.563 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.668 -4.985 10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.341 -6.186 8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.000 -5.595 8.993 1.00 0.00 H new ATOM 716 N SER A 45 11.166 -5.703 5.919 1.00 0.00 N ATOM 717 CA SER A 45 12.609 -5.807 5.738 1.00 0.00 C ATOM 718 C SER A 45 12.943 -6.617 4.489 1.00 0.00 C ATOM 719 O SER A 45 12.130 -7.412 4.015 1.00 0.00 O ATOM 720 CB SER A 45 13.254 -6.453 6.966 1.00 0.00 C ATOM 721 OG SER A 45 12.642 -5.998 8.161 1.00 0.00 O ATOM 0 H SER A 45 10.642 -6.520 5.607 1.00 0.00 H new ATOM 0 HA SER A 45 13.008 -4.800 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.167 -7.537 6.899 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.319 -6.220 6.987 1.00 0.00 H new ATOM 0 HG SER A 45 13.070 -6.426 8.931 1.00 0.00 H new ATOM 727 N CYS A 46 14.144 -6.410 3.960 1.00 0.00 N ATOM 728 CA CYS A 46 14.587 -7.119 2.766 1.00 0.00 C ATOM 729 C CYS A 46 15.713 -8.094 3.100 1.00 0.00 C ATOM 730 O CYS A 46 16.894 -7.810 2.899 1.00 0.00 O ATOM 731 CB CYS A 46 15.057 -6.126 1.702 1.00 0.00 C ATOM 732 SG CYS A 46 15.297 -6.861 0.053 1.00 0.00 S ATOM 0 H CYS A 46 14.829 -5.756 4.340 1.00 0.00 H new ATOM 0 HA CYS A 46 13.742 -7.686 2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.328 -5.319 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.995 -5.678 2.028 1.00 0.00 H new ATOM 737 N PRO A 47 15.341 -9.273 3.621 1.00 0.00 N ATOM 738 CA PRO A 47 16.303 -10.314 3.992 1.00 0.00 C ATOM 739 C PRO A 47 16.967 -10.950 2.776 1.00 0.00 C ATOM 740 O PRO A 47 16.841 -10.454 1.656 1.00 0.00 O ATOM 741 CB PRO A 47 15.445 -11.343 4.733 1.00 0.00 C ATOM 742 CG PRO A 47 14.070 -11.147 4.194 1.00 0.00 C ATOM 743 CD PRO A 47 13.951 -9.680 3.887 1.00 0.00 C ATOM 0 HA PRO A 47 17.124 -9.916 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.800 -12.358 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.475 -11.181 5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.913 -11.747 3.298 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.318 -11.456 4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.308 -9.501 3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.524 -9.128 4.724 1.00 0.00 H new ATOM 751 N LYS A 48 17.674 -12.053 3.002 1.00 0.00 N ATOM 752 CA LYS A 48 18.356 -12.759 1.925 1.00 0.00 C ATOM 753 C LYS A 48 17.990 -14.240 1.928 1.00 0.00 C ATOM 754 O LYS A 48 17.044 -14.654 2.598 1.00 0.00 O ATOM 755 CB LYS A 48 19.872 -12.598 2.061 1.00 0.00 C ATOM 756 CG LYS A 48 20.464 -13.375 3.223 1.00 0.00 C ATOM 757 CD LYS A 48 20.184 -12.693 4.552 1.00 0.00 C ATOM 758 CE LYS A 48 21.367 -12.811 5.500 1.00 0.00 C ATOM 759 NZ LYS A 48 22.126 -11.534 5.601 1.00 0.00 N ATOM 0 H LYS A 48 17.789 -12.477 3.923 1.00 0.00 H new ATOM 0 HA LYS A 48 18.034 -12.324 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.348 -12.925 1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.107 -11.541 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.050 -14.383 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.541 -13.475 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.957 -11.641 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.302 -13.139 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.012 -13.102 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.032 -13.602 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.924 -11.656 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.486 -11.269 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.498 -10.784 5.955 1.00 0.00 H new ATOM 773 N ALA A 49 18.746 -15.033 1.176 1.00 0.00 N ATOM 774 CA ALA A 49 18.502 -16.468 1.095 1.00 0.00 C ATOM 775 C ALA A 49 19.742 -17.209 0.604 1.00 0.00 C ATOM 776 O ALA A 49 20.826 -16.633 0.514 1.00 0.00 O ATOM 777 CB ALA A 49 17.319 -16.752 0.181 1.00 0.00 C ATOM 0 H ALA A 49 19.532 -14.706 0.614 1.00 0.00 H new ATOM 0 HA ALA A 49 18.268 -16.829 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 49 17.149 -17.827 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.429 -16.262 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.531 -16.371 -0.818 1.00 0.00 H new ATOM 783 N LYS A 50 19.575 -18.489 0.290 1.00 0.00 N ATOM 784 CA LYS A 50 20.680 -19.309 -0.193 1.00 0.00 C ATOM 785 C LYS A 50 21.042 -18.943 -1.628 1.00 0.00 C ATOM 786 O LYS A 50 20.252 -18.348 -2.361 1.00 0.00 O ATOM 787 CB LYS A 50 20.314 -20.793 -0.109 1.00 0.00 C ATOM 788 CG LYS A 50 20.739 -21.452 1.191 1.00 0.00 C ATOM 789 CD LYS A 50 20.394 -22.931 1.206 1.00 0.00 C ATOM 790 CE LYS A 50 20.381 -23.487 2.621 1.00 0.00 C ATOM 791 NZ LYS A 50 20.379 -24.976 2.633 1.00 0.00 N ATOM 0 H LYS A 50 18.685 -18.981 0.361 1.00 0.00 H new ATOM 0 HA LYS A 50 21.546 -19.118 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.235 -20.900 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.778 -21.321 -0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.813 -21.327 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.250 -20.955 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.418 -23.082 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.118 -23.481 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.253 -23.121 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.501 -23.119 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.370 -25.315 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.534 -25.326 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.232 -25.328 2.153 1.00 0.00 H new ATOM 805 N PRO A 51 22.265 -19.308 -2.042 1.00 0.00 N ATOM 806 CA PRO A 51 22.759 -19.030 -3.394 1.00 0.00 C ATOM 807 C PRO A 51 22.046 -19.862 -4.454 1.00 0.00 C ATOM 808 O PRO A 51 22.127 -19.568 -5.646 1.00 0.00 O ATOM 809 CB PRO A 51 24.238 -19.416 -3.317 1.00 0.00 C ATOM 810 CG PRO A 51 24.312 -20.420 -2.219 1.00 0.00 C ATOM 811 CD PRO A 51 23.260 -20.020 -1.221 1.00 0.00 C ATOM 0 HA PRO A 51 22.589 -17.993 -3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.587 -19.835 -4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.863 -18.549 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 51 24.129 -21.426 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 51 25.301 -20.426 -1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.825 -20.888 -0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.670 -19.379 -0.440 1.00 0.00 H new ATOM 819 N ASN A 52 21.346 -20.902 -4.012 1.00 0.00 N ATOM 820 CA ASN A 52 20.618 -21.777 -4.923 1.00 0.00 C ATOM 821 C ASN A 52 19.249 -21.193 -5.261 1.00 0.00 C ATOM 822 O ASN A 52 18.864 -21.124 -6.427 1.00 0.00 O ATOM 823 CB ASN A 52 20.454 -23.167 -4.307 1.00 0.00 C ATOM 824 CG ASN A 52 21.785 -23.812 -3.970 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.428 -24.417 -4.828 1.00 0.00 O ATOM 826 ND2 ASN A 52 22.203 -23.684 -2.717 1.00 0.00 N ATOM 0 H ASN A 52 21.268 -21.159 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 52 21.195 -21.861 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.851 -23.091 -3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.909 -23.807 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 52 23.091 -24.096 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.636 -23.173 -2.040 1.00 0.00 H new ATOM 833 N GLU A 53 18.520 -20.774 -4.231 1.00 0.00 N ATOM 834 CA GLU A 53 17.195 -20.196 -4.419 1.00 0.00 C ATOM 835 C GLU A 53 17.294 -18.753 -4.905 1.00 0.00 C ATOM 836 O GLU A 53 18.386 -18.193 -5.006 1.00 0.00 O ATOM 837 CB GLU A 53 16.400 -20.253 -3.113 1.00 0.00 C ATOM 838 CG GLU A 53 16.834 -19.216 -2.090 1.00 0.00 C ATOM 839 CD GLU A 53 16.360 -19.545 -0.688 1.00 0.00 C ATOM 840 OE1 GLU A 53 15.139 -19.458 -0.440 1.00 0.00 O ATOM 841 OE2 GLU A 53 17.209 -19.890 0.160 1.00 0.00 O ATOM 0 H GLU A 53 18.825 -20.824 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 53 16.676 -20.781 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.342 -20.112 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.504 -21.247 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.921 -19.141 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.446 -18.240 -2.381 1.00 0.00 H new ATOM 848 N THR A 54 16.145 -18.156 -5.206 1.00 0.00 N ATOM 849 CA THR A 54 16.101 -16.779 -5.683 1.00 0.00 C ATOM 850 C THR A 54 15.133 -15.941 -4.855 1.00 0.00 C ATOM 851 O THR A 54 14.050 -16.402 -4.493 1.00 0.00 O ATOM 852 CB THR A 54 15.684 -16.711 -7.164 1.00 0.00 C ATOM 853 OG1 THR A 54 16.565 -17.514 -7.958 1.00 0.00 O ATOM 854 CG2 THR A 54 15.707 -15.276 -7.667 1.00 0.00 C ATOM 0 H THR A 54 15.232 -18.605 -5.128 1.00 0.00 H new ATOM 0 HA THR A 54 17.108 -16.376 -5.578 1.00 0.00 H new ATOM 0 HB THR A 54 14.667 -17.093 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.292 -17.467 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.409 -15.253 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.014 -14.673 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.714 -14.872 -7.567 1.00 0.00 H new ATOM 862 N VAL A 55 15.529 -14.708 -4.559 1.00 0.00 N ATOM 863 CA VAL A 55 14.696 -13.804 -3.775 1.00 0.00 C ATOM 864 C VAL A 55 14.846 -12.364 -4.253 1.00 0.00 C ATOM 865 O VAL A 55 15.958 -11.889 -4.481 1.00 0.00 O ATOM 866 CB VAL A 55 15.045 -13.875 -2.277 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.131 -12.965 -1.471 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.958 -15.309 -1.778 1.00 0.00 C ATOM 0 H VAL A 55 16.422 -14.311 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 55 13.664 -14.125 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 55 16.070 -13.529 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.393 -13.029 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.248 -11.937 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.095 -13.276 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.208 -15.341 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.945 -15.684 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.659 -15.931 -2.335 1.00 0.00 H new ATOM 878 N GLN A 56 13.719 -11.675 -4.403 1.00 0.00 N ATOM 879 CA GLN A 56 13.726 -10.289 -4.854 1.00 0.00 C ATOM 880 C GLN A 56 12.657 -9.476 -4.131 1.00 0.00 C ATOM 881 O GLN A 56 11.501 -9.892 -4.041 1.00 0.00 O ATOM 882 CB GLN A 56 13.500 -10.221 -6.365 1.00 0.00 C ATOM 883 CG GLN A 56 12.110 -10.663 -6.793 1.00 0.00 C ATOM 884 CD GLN A 56 11.875 -12.145 -6.574 1.00 0.00 C ATOM 885 OE1 GLN A 56 10.859 -12.547 -6.007 1.00 0.00 O ATOM 886 NE2 GLN A 56 12.816 -12.966 -7.025 1.00 0.00 N ATOM 0 H GLN A 56 12.790 -12.054 -4.219 1.00 0.00 H new ATOM 0 HA GLN A 56 14.701 -9.862 -4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.667 -9.198 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.241 -10.847 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.365 -10.095 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.967 -10.428 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.642 -12.589 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.713 -13.974 -6.907 1.00 0.00 H new ATOM 895 N CYS A 57 13.050 -8.315 -3.618 1.00 0.00 N ATOM 896 CA CYS A 57 12.126 -7.443 -2.902 1.00 0.00 C ATOM 897 C CYS A 57 12.031 -6.079 -3.579 1.00 0.00 C ATOM 898 O CYS A 57 12.760 -5.793 -4.530 1.00 0.00 O ATOM 899 CB CYS A 57 12.574 -7.274 -1.449 1.00 0.00 C ATOM 900 SG CYS A 57 14.004 -6.167 -1.236 1.00 0.00 S ATOM 0 H CYS A 57 14.002 -7.956 -3.685 1.00 0.00 H new ATOM 0 HA CYS A 57 11.140 -7.907 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.739 -6.887 -0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.822 -8.253 -1.040 1.00 0.00 H new ATOM 905 N CYS A 58 11.129 -5.240 -3.082 1.00 0.00 N ATOM 906 CA CYS A 58 10.937 -3.905 -3.637 1.00 0.00 C ATOM 907 C CYS A 58 10.271 -2.983 -2.619 1.00 0.00 C ATOM 908 O CYS A 58 9.461 -3.424 -1.804 1.00 0.00 O ATOM 909 CB CYS A 58 10.090 -3.976 -4.909 1.00 0.00 C ATOM 910 SG CYS A 58 10.924 -3.331 -6.394 1.00 0.00 S ATOM 0 H CYS A 58 10.519 -5.461 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 58 11.917 -3.497 -3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.806 -5.013 -5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.168 -3.416 -4.751 1.00 0.00 H new ATOM 915 N SER A 59 10.618 -1.702 -2.674 1.00 0.00 N ATOM 916 CA SER A 59 10.057 -0.718 -1.756 1.00 0.00 C ATOM 917 C SER A 59 9.487 0.475 -2.518 1.00 0.00 C ATOM 918 O SER A 59 10.005 1.589 -2.430 1.00 0.00 O ATOM 919 CB SER A 59 11.125 -0.243 -0.768 1.00 0.00 C ATOM 920 OG SER A 59 12.417 -0.307 -1.345 1.00 0.00 O ATOM 0 H SER A 59 11.285 -1.321 -3.345 1.00 0.00 H new ATOM 0 HA SER A 59 9.247 -1.195 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.911 0.781 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.094 -0.859 0.131 1.00 0.00 H new ATOM 0 HG SER A 59 13.081 0.003 -0.695 1.00 0.00 H new ATOM 926 N THR A 60 8.417 0.233 -3.268 1.00 0.00 N ATOM 927 CA THR A 60 7.776 1.285 -4.048 1.00 0.00 C ATOM 928 C THR A 60 6.512 0.773 -4.728 1.00 0.00 C ATOM 929 O THR A 60 6.420 -0.402 -5.085 1.00 0.00 O ATOM 930 CB THR A 60 8.729 1.849 -5.119 1.00 0.00 C ATOM 931 OG1 THR A 60 9.883 1.010 -5.239 1.00 0.00 O ATOM 932 CG2 THR A 60 9.159 3.265 -4.768 1.00 0.00 C ATOM 0 H THR A 60 7.976 -0.683 -3.352 1.00 0.00 H new ATOM 0 HA THR A 60 7.513 2.080 -3.350 1.00 0.00 H new ATOM 0 HB THR A 60 8.198 1.873 -6.071 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.483 1.375 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.831 3.643 -5.538 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.281 3.907 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.674 3.261 -3.807 1.00 0.00 H new ATOM 940 N ASP A 61 5.539 1.661 -4.904 1.00 0.00 N ATOM 941 CA ASP A 61 4.280 1.299 -5.543 1.00 0.00 C ATOM 942 C ASP A 61 4.520 0.747 -6.944 1.00 0.00 C ATOM 943 O ASP A 61 5.200 1.370 -7.761 1.00 0.00 O ATOM 944 CB ASP A 61 3.351 2.512 -5.612 1.00 0.00 C ATOM 945 CG ASP A 61 3.802 3.529 -6.642 1.00 0.00 C ATOM 946 OD1 ASP A 61 4.703 4.333 -6.326 1.00 0.00 O ATOM 947 OD2 ASP A 61 3.253 3.521 -7.764 1.00 0.00 O ATOM 0 H ASP A 61 5.599 2.637 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 61 3.807 0.522 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.341 2.179 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.305 2.987 -4.632 1.00 0.00 H new ATOM 952 N LYS A 62 3.960 -0.427 -7.217 1.00 0.00 N ATOM 953 CA LYS A 62 4.112 -1.064 -8.519 1.00 0.00 C ATOM 954 C LYS A 62 5.584 -1.310 -8.836 1.00 0.00 C ATOM 955 O LYS A 62 6.001 -1.240 -9.992 1.00 0.00 O ATOM 956 CB LYS A 62 3.483 -0.196 -9.612 1.00 0.00 C ATOM 957 CG LYS A 62 1.974 -0.342 -9.711 1.00 0.00 C ATOM 958 CD LYS A 62 1.333 0.895 -10.318 1.00 0.00 C ATOM 959 CE LYS A 62 0.070 0.546 -11.089 1.00 0.00 C ATOM 960 NZ LYS A 62 0.377 -0.077 -12.406 1.00 0.00 N ATOM 0 H LYS A 62 3.396 -0.957 -6.552 1.00 0.00 H new ATOM 0 HA LYS A 62 3.599 -2.025 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.727 0.849 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.929 -0.456 -10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.731 -1.214 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.559 -0.519 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.093 1.607 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.043 1.385 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.539 -0.137 -10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.522 1.448 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.497 -0.160 -12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.060 0.516 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.783 -1.023 -12.256 1.00 0.00 H new ATOM 974 N CYS A 63 6.367 -1.599 -7.801 1.00 0.00 N ATOM 975 CA CYS A 63 7.792 -1.857 -7.969 1.00 0.00 C ATOM 976 C CYS A 63 8.072 -3.356 -8.015 1.00 0.00 C ATOM 977 O CYS A 63 8.705 -3.851 -8.946 1.00 0.00 O ATOM 978 CB CYS A 63 8.585 -1.214 -6.829 1.00 0.00 C ATOM 979 SG CYS A 63 10.375 -1.545 -6.889 1.00 0.00 S ATOM 0 H CYS A 63 6.038 -1.660 -6.837 1.00 0.00 H new ATOM 0 HA CYS A 63 8.106 -1.417 -8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.425 -0.136 -6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.191 -1.574 -5.879 1.00 0.00 H new ATOM 984 N ASN A 64 7.594 -4.073 -7.003 1.00 0.00 N ATOM 985 CA ASN A 64 7.793 -5.516 -6.927 1.00 0.00 C ATOM 986 C ASN A 64 7.361 -6.193 -8.225 1.00 0.00 C ATOM 987 O ASN A 64 6.173 -6.249 -8.543 1.00 0.00 O ATOM 988 CB ASN A 64 7.009 -6.099 -5.749 1.00 0.00 C ATOM 989 CG ASN A 64 7.797 -7.153 -4.996 1.00 0.00 C ATOM 990 OD1 ASN A 64 9.028 -7.150 -5.007 1.00 0.00 O ATOM 991 ND2 ASN A 64 7.089 -8.062 -4.336 1.00 0.00 N ATOM 0 H ASN A 64 7.066 -3.678 -6.224 1.00 0.00 H new ATOM 0 HA ASN A 64 8.856 -5.704 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.736 -5.296 -5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.080 -6.536 -6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.564 -8.796 -3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.070 -8.026 -4.354 1.00 0.00 H new ATOM 998 N LYS A 65 8.334 -6.707 -8.970 1.00 0.00 N ATOM 999 CA LYS A 65 8.056 -7.382 -10.232 1.00 0.00 C ATOM 1000 C LYS A 65 7.171 -8.604 -10.011 1.00 0.00 C ATOM 1001 O LYS A 65 7.128 -9.510 -10.844 1.00 0.00 O ATOM 1002 CB LYS A 65 9.364 -7.802 -10.907 1.00 0.00 C ATOM 1003 CG LYS A 65 10.304 -6.642 -11.185 1.00 0.00 C ATOM 1004 CD LYS A 65 9.996 -5.982 -12.519 1.00 0.00 C ATOM 1005 CE LYS A 65 10.480 -4.540 -12.551 1.00 0.00 C ATOM 1006 NZ LYS A 65 10.027 -3.831 -13.780 1.00 0.00 N ATOM 0 H LYS A 65 9.322 -6.669 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 65 7.527 -6.684 -10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.873 -8.528 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.133 -8.305 -11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.221 -5.905 -10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.334 -6.999 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.471 -6.544 -13.323 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.922 -6.011 -12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.111 -4.013 -11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.569 -4.521 -12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.377 -2.852 -13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.400 -4.319 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.988 -3.827 -13.815 1.00 0.00 H new