USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 221 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 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0324 K(o=-0.032,f=-0.74) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0447) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLY A 2 -8.567 -0.292 1.406 1.00 0.00 N ATOM 17 CA GLY A 2 -7.137 -0.550 1.623 1.00 0.00 C ATOM 18 C GLY A 2 -6.854 -1.187 2.993 1.00 0.00 C ATOM 19 O GLY A 2 -7.634 -2.010 3.472 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.767 -1.208 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.586 0.387 1.541 1.00 0.00 H new ATOM 23 N ILE A 3 -5.728 -0.815 3.607 1.00 0.00 N ATOM 24 CA ILE A 3 -5.210 -1.377 4.872 1.00 0.00 C ATOM 25 C ILE A 3 -4.753 -0.266 5.844 1.00 0.00 C ATOM 26 O ILE A 3 -4.780 0.915 5.495 1.00 0.00 O ATOM 27 CB ILE A 3 -4.086 -2.406 4.582 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.808 -1.751 4.006 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.597 -3.539 3.669 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.685 -2.761 3.712 1.00 0.00 C ATOM 0 H ILE A 3 -5.123 -0.086 3.228 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.021 -1.905 5.373 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.802 -2.840 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.062 -1.223 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.441 -1.005 4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.790 -4.247 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.425 -4.054 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.938 -3.118 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.819 -2.235 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.405 -3.272 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.035 -3.492 2.984 1.00 0.00 H new ATOM 41 N ASN A 4 -4.327 -0.627 7.061 1.00 0.00 N ATOM 42 CA ASN A 4 -3.857 0.312 8.093 1.00 0.00 C ATOM 43 C ASN A 4 -2.425 -0.035 8.546 1.00 0.00 C ATOM 44 O ASN A 4 -2.223 -0.758 9.524 1.00 0.00 O ATOM 45 CB ASN A 4 -4.871 0.359 9.251 1.00 0.00 C ATOM 46 CG ASN A 4 -4.580 1.526 10.185 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.720 2.687 9.822 1.00 0.00 O ATOM 48 ND2 ASN A 4 -4.152 1.274 11.402 1.00 0.00 N ATOM 0 H ASN A 4 -4.298 -1.600 7.364 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.798 1.318 7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.881 0.452 8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.834 -0.576 9.810 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.939 2.043 12.037 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.033 0.309 11.711 1.00 0.00 H new ATOM 54 N VAL A 5 -1.427 0.456 7.798 1.00 0.00 N ATOM 55 CA VAL A 5 0.013 0.186 8.005 1.00 0.00 C ATOM 56 C VAL A 5 0.817 1.464 7.751 1.00 0.00 C ATOM 57 O VAL A 5 0.421 2.284 6.924 1.00 0.00 O ATOM 58 CB VAL A 5 0.522 -0.938 7.068 1.00 0.00 C ATOM 59 CG1 VAL A 5 1.885 -1.479 7.515 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.414 -2.150 6.989 1.00 0.00 C ATOM 0 H VAL A 5 -1.600 1.073 7.004 1.00 0.00 H new ATOM 0 HA VAL A 5 0.148 -0.144 9.035 1.00 0.00 H new ATOM 0 HB VAL A 5 0.580 -0.455 6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.206 -2.265 6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.617 -0.671 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.802 -1.886 8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.010 -2.894 6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.531 -2.585 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.388 -1.834 6.615 1.00 0.00 H new ATOM 70 N LYS A 6 1.955 1.650 8.428 1.00 0.00 N ATOM 71 CA LYS A 6 2.869 2.784 8.214 1.00 0.00 C ATOM 72 C LYS A 6 3.815 2.533 7.025 1.00 0.00 C ATOM 73 O LYS A 6 4.144 1.387 6.709 1.00 0.00 O ATOM 74 CB LYS A 6 3.627 3.059 9.538 1.00 0.00 C ATOM 75 CG LYS A 6 3.695 4.547 9.921 1.00 0.00 C ATOM 76 CD LYS A 6 4.849 5.330 9.265 1.00 0.00 C ATOM 77 CE LYS A 6 4.386 6.642 8.615 1.00 0.00 C ATOM 78 NZ LYS A 6 3.922 7.643 9.612 1.00 0.00 N ATOM 0 H LYS A 6 2.275 1.008 9.153 1.00 0.00 H new ATOM 0 HA LYS A 6 2.301 3.675 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.142 2.509 10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.641 2.670 9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.752 5.021 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.791 4.625 11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.606 5.550 10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.323 4.704 8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.207 7.065 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.578 6.431 7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.621 8.509 9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.121 7.253 10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.699 7.868 10.265 1.00 0.00 H new ATOM 88 N CYS A 7 4.283 3.606 6.386 1.00 0.00 N ATOM 89 CA CYS A 7 5.223 3.596 5.258 1.00 0.00 C ATOM 90 C CYS A 7 6.307 4.682 5.404 1.00 0.00 C ATOM 91 O CYS A 7 6.096 5.693 6.079 1.00 0.00 O ATOM 92 CB CYS A 7 4.426 3.771 3.953 1.00 0.00 C ATOM 93 SG CYS A 7 3.186 5.103 3.968 1.00 0.00 S ATOM 0 H CYS A 7 4.006 4.551 6.651 1.00 0.00 H new ATOM 0 HA CYS A 7 5.749 2.641 5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.128 3.961 3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.922 2.831 3.726 1.00 0.00 H new ATOM 97 N LYS A 8 7.461 4.481 4.743 1.00 0.00 N ATOM 98 CA LYS A 8 8.627 5.391 4.776 1.00 0.00 C ATOM 99 C LYS A 8 8.866 6.125 3.441 1.00 0.00 C ATOM 100 O LYS A 8 9.513 7.171 3.433 1.00 0.00 O ATOM 101 CB LYS A 8 9.875 4.580 5.192 1.00 0.00 C ATOM 102 CG LYS A 8 10.938 5.384 5.956 1.00 0.00 C ATOM 103 CD LYS A 8 10.587 5.517 7.446 1.00 0.00 C ATOM 104 CE LYS A 8 11.618 6.398 8.161 1.00 0.00 C ATOM 105 NZ LYS A 8 11.153 6.798 9.514 1.00 0.00 N ATOM 0 H LYS A 8 7.615 3.662 4.156 1.00 0.00 H new ATOM 0 HA LYS A 8 8.421 6.174 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.557 3.742 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.332 4.158 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.907 4.896 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.031 6.376 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.592 5.949 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.558 4.531 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.562 5.859 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.812 7.289 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.876 7.393 9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.265 7.334 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.992 5.948 10.091 1.00 0.00 H new ATOM 115 N HIS A 9 8.332 5.592 2.337 1.00 0.00 N ATOM 116 CA HIS A 9 8.481 6.133 0.974 1.00 0.00 C ATOM 117 C HIS A 9 7.221 5.895 0.117 1.00 0.00 C ATOM 118 O HIS A 9 6.439 6.824 -0.074 1.00 0.00 O ATOM 119 CB HIS A 9 9.736 5.530 0.311 1.00 0.00 C ATOM 120 CG HIS A 9 10.984 6.331 0.578 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.356 7.475 -0.087 1.00 0.00 N ATOM 122 CD2 HIS A 9 11.953 6.065 1.509 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.520 7.903 0.432 1.00 0.00 C ATOM 124 NE2 HIS A 9 12.924 7.071 1.409 1.00 0.00 N ATOM 0 H HIS A 9 7.765 4.745 2.364 1.00 0.00 H new ATOM 0 HA HIS A 9 8.604 7.214 1.046 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.879 4.512 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.576 5.464 -0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.966 5.231 2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.053 8.786 0.111 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.773 7.156 1.969 1.00 0.00 H new ATOM 132 N SER A 10 7.024 4.664 -0.375 1.00 0.00 N ATOM 133 CA SER A 10 5.923 4.247 -1.283 1.00 0.00 C ATOM 134 C SER A 10 6.052 2.782 -1.720 1.00 0.00 C ATOM 135 O SER A 10 5.134 1.995 -1.497 1.00 0.00 O ATOM 136 CB SER A 10 5.844 5.135 -2.536 1.00 0.00 C ATOM 137 OG SER A 10 7.119 5.259 -3.153 1.00 0.00 O ATOM 0 H SER A 10 7.649 3.891 -0.147 1.00 0.00 H new ATOM 0 HA SER A 10 5.007 4.362 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.133 4.709 -3.244 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.470 6.122 -2.264 1.00 0.00 H new ATOM 0 HG SER A 10 7.044 5.827 -3.948 1.00 0.00 H new ATOM 142 N ARG A 11 7.219 2.381 -2.239 1.00 0.00 N ATOM 143 CA ARG A 11 7.526 0.992 -2.647 1.00 0.00 C ATOM 144 C ARG A 11 7.400 -0.017 -1.496 1.00 0.00 C ATOM 145 O ARG A 11 7.091 -1.186 -1.715 1.00 0.00 O ATOM 146 CB ARG A 11 8.940 0.949 -3.254 1.00 0.00 C ATOM 147 CG ARG A 11 9.137 -0.231 -4.221 1.00 0.00 C ATOM 148 CD ARG A 11 10.579 -0.769 -4.225 1.00 0.00 C ATOM 149 NE ARG A 11 10.650 -2.118 -3.624 1.00 0.00 N ATOM 150 CZ ARG A 11 11.665 -2.963 -3.703 1.00 0.00 C ATOM 151 NH1 ARG A 11 12.784 -2.658 -4.295 1.00 0.00 N ATOM 152 NH2 ARG A 11 11.574 -4.151 -3.175 1.00 0.00 N ATOM 0 H ARG A 11 7.997 3.022 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 11 6.786 0.693 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.132 1.882 -3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.674 0.881 -2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.455 -1.036 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.869 0.084 -5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.954 -0.804 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.225 -0.088 -3.672 1.00 0.00 H new ATOM 0 HE ARG A 11 9.835 -2.428 -3.095 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.902 -1.738 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.543 -3.339 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.718 -4.433 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.359 -4.799 -3.239 1.00 0.00 H new ATOM 163 N GLN A 12 7.593 0.444 -0.259 1.00 0.00 N ATOM 164 CA GLN A 12 7.444 -0.364 0.961 1.00 0.00 C ATOM 165 C GLN A 12 5.979 -0.691 1.298 1.00 0.00 C ATOM 166 O GLN A 12 5.728 -1.630 2.047 1.00 0.00 O ATOM 167 CB GLN A 12 8.100 0.323 2.175 1.00 0.00 C ATOM 168 CG GLN A 12 9.357 1.158 1.866 1.00 0.00 C ATOM 169 CD GLN A 12 10.263 1.394 3.076 1.00 0.00 C ATOM 170 OE1 GLN A 12 11.467 1.569 2.944 1.00 0.00 O ATOM 171 NE2 GLN A 12 9.746 1.430 4.288 1.00 0.00 N ATOM 0 H GLN A 12 7.863 1.409 -0.069 1.00 0.00 H new ATOM 0 HA GLN A 12 7.955 -1.303 0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.361 0.971 2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.364 -0.442 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.932 0.656 1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.049 2.123 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.745 1.287 4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.347 1.601 5.094 1.00 0.00 H new ATOM 178 N CYS A 13 5.017 0.064 0.748 1.00 0.00 N ATOM 179 CA CYS A 13 3.582 -0.212 0.854 1.00 0.00 C ATOM 180 C CYS A 13 3.113 -1.263 -0.174 1.00 0.00 C ATOM 181 O CYS A 13 2.177 -2.012 0.099 1.00 0.00 O ATOM 182 CB CYS A 13 2.827 1.119 0.720 1.00 0.00 C ATOM 183 SG CYS A 13 1.022 1.008 0.665 1.00 0.00 S ATOM 0 H CYS A 13 5.223 0.903 0.205 1.00 0.00 H new ATOM 0 HA CYS A 13 3.365 -0.653 1.827 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.106 1.758 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.168 1.617 -0.188 1.00 0.00 H new ATOM 187 N LEU A 14 3.791 -1.408 -1.322 1.00 0.00 N ATOM 188 CA LEU A 14 3.475 -2.479 -2.284 1.00 0.00 C ATOM 189 C LEU A 14 3.611 -3.893 -1.687 1.00 0.00 C ATOM 190 O LEU A 14 2.744 -4.723 -1.954 1.00 0.00 O ATOM 191 CB LEU A 14 4.315 -2.349 -3.570 1.00 0.00 C ATOM 192 CG LEU A 14 3.701 -1.455 -4.660 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.690 -1.318 -5.817 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.403 -2.036 -5.232 1.00 0.00 C ATOM 0 H LEU A 14 4.559 -0.801 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 14 2.424 -2.347 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.296 -1.953 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.474 -3.345 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 14 3.481 -0.494 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.258 -0.685 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.614 -0.868 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.904 -2.303 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.011 -1.366 -5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.605 -3.012 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.669 -2.143 -4.433 1.00 0.00 H new ATOM 205 N LYS A 15 4.619 -4.154 -0.838 1.00 0.00 N ATOM 206 CA LYS A 15 4.763 -5.445 -0.124 1.00 0.00 C ATOM 207 C LYS A 15 3.490 -5.834 0.656 1.00 0.00 C ATOM 208 O LYS A 15 2.885 -6.851 0.312 1.00 0.00 O ATOM 209 CB LYS A 15 6.014 -5.474 0.787 1.00 0.00 C ATOM 210 CG LYS A 15 7.174 -6.298 0.209 1.00 0.00 C ATOM 211 CD LYS A 15 8.130 -5.472 -0.657 1.00 0.00 C ATOM 212 CE LYS A 15 8.964 -6.407 -1.546 1.00 0.00 C ATOM 213 NZ LYS A 15 8.415 -6.492 -2.927 1.00 0.00 N ATOM 0 H LYS A 15 5.357 -3.483 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 15 4.907 -6.201 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.354 -4.452 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.737 -5.883 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.734 -6.749 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.768 -7.115 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.565 -4.775 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.787 -4.876 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.993 -6.049 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.989 -7.403 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.005 -7.132 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.442 -6.857 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.414 -5.546 -3.359 1.00 0.00 H new ATOM 223 N PRO A 16 3.051 -5.059 1.668 1.00 0.00 N ATOM 224 CA PRO A 16 1.855 -5.387 2.443 1.00 0.00 C ATOM 225 C PRO A 16 0.566 -5.273 1.614 1.00 0.00 C ATOM 226 O PRO A 16 -0.338 -6.073 1.835 1.00 0.00 O ATOM 227 CB PRO A 16 1.877 -4.456 3.660 1.00 0.00 C ATOM 228 CG PRO A 16 2.676 -3.250 3.182 1.00 0.00 C ATOM 229 CD PRO A 16 3.694 -3.881 2.236 1.00 0.00 C ATOM 0 HA PRO A 16 1.863 -6.430 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.870 -4.173 3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.348 -4.933 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.045 -2.522 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.159 -2.730 4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.983 -3.180 1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.604 -4.155 2.770 1.00 0.00 H new ATOM 234 N CYS A 17 0.476 -4.377 0.621 1.00 0.00 N ATOM 235 CA CYS A 17 -0.692 -4.320 -0.274 1.00 0.00 C ATOM 236 C CYS A 17 -0.886 -5.594 -1.114 1.00 0.00 C ATOM 237 O CYS A 17 -1.984 -6.153 -1.147 1.00 0.00 O ATOM 238 CB CYS A 17 -0.592 -3.112 -1.211 1.00 0.00 C ATOM 239 SG CYS A 17 -0.977 -1.520 -0.448 1.00 0.00 S ATOM 0 H CYS A 17 1.195 -3.683 0.416 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.560 -4.227 0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.419 -3.069 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.267 -3.267 -2.053 1.00 0.00 H new ATOM 243 N LYS A 18 0.171 -6.063 -1.782 1.00 0.00 N ATOM 244 CA LYS A 18 0.103 -7.234 -2.669 1.00 0.00 C ATOM 245 C LYS A 18 -0.096 -8.521 -1.866 1.00 0.00 C ATOM 246 O LYS A 18 -0.935 -9.347 -2.226 1.00 0.00 O ATOM 247 CB LYS A 18 1.360 -7.240 -3.555 1.00 0.00 C ATOM 248 CG LYS A 18 1.223 -7.989 -4.889 1.00 0.00 C ATOM 249 CD LYS A 18 1.354 -9.516 -4.803 1.00 0.00 C ATOM 250 CE LYS A 18 1.869 -10.036 -6.153 1.00 0.00 C ATOM 251 NZ LYS A 18 1.915 -11.518 -6.212 1.00 0.00 N ATOM 0 H LYS A 18 1.099 -5.644 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.767 -7.176 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.641 -6.208 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.179 -7.685 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.253 -7.748 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.982 -7.614 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.041 -9.793 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.390 -9.966 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.226 -9.664 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.867 -9.637 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.269 -11.818 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.549 -11.876 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.959 -11.901 -6.066 1.00 0.00 H new ATOM 261 N ASP A 19 0.599 -8.659 -0.733 1.00 0.00 N ATOM 262 CA ASP A 19 0.437 -9.792 0.186 1.00 0.00 C ATOM 263 C ASP A 19 -0.934 -9.822 0.899 1.00 0.00 C ATOM 264 O ASP A 19 -1.442 -10.901 1.213 1.00 0.00 O ATOM 265 CB ASP A 19 1.594 -9.790 1.192 1.00 0.00 C ATOM 266 CG ASP A 19 1.678 -11.113 1.974 1.00 0.00 C ATOM 267 OD1 ASP A 19 1.984 -12.159 1.360 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.471 -11.104 3.215 1.00 0.00 O ATOM 0 H ASP A 19 1.296 -7.982 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 19 0.464 -10.705 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.533 -9.620 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.466 -8.963 1.891 1.00 0.00 H new ATOM 272 N ALA A 20 -1.582 -8.664 1.108 1.00 0.00 N ATOM 273 CA ALA A 20 -2.962 -8.568 1.607 1.00 0.00 C ATOM 274 C ALA A 20 -4.034 -9.052 0.602 1.00 0.00 C ATOM 275 O ALA A 20 -5.176 -9.306 1.000 1.00 0.00 O ATOM 276 CB ALA A 20 -3.253 -7.116 2.019 1.00 0.00 C ATOM 0 H ALA A 20 -1.154 -7.755 0.932 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.029 -9.240 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.275 -7.041 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.559 -6.815 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.131 -6.461 1.156 1.00 0.00 H new ATOM 282 N GLY A 21 -3.688 -9.179 -0.687 1.00 0.00 N ATOM 283 CA GLY A 21 -4.598 -9.589 -1.766 1.00 0.00 C ATOM 284 C GLY A 21 -5.113 -8.438 -2.646 1.00 0.00 C ATOM 285 O GLY A 21 -5.876 -8.687 -3.585 1.00 0.00 O ATOM 0 H GLY A 21 -2.741 -8.994 -1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.085 -10.311 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.453 -10.102 -1.326 1.00 0.00 H new ATOM 289 N MET A 22 -4.722 -7.190 -2.363 1.00 0.00 N ATOM 290 CA MET A 22 -5.052 -6.006 -3.176 1.00 0.00 C ATOM 291 C MET A 22 -4.141 -5.880 -4.416 1.00 0.00 C ATOM 292 O MET A 22 -3.149 -6.605 -4.552 1.00 0.00 O ATOM 293 CB MET A 22 -4.991 -4.737 -2.299 1.00 0.00 C ATOM 294 CG MET A 22 -6.288 -4.529 -1.508 1.00 0.00 C ATOM 295 SD MET A 22 -6.595 -5.709 -0.164 1.00 0.00 S ATOM 296 CE MET A 22 -8.394 -5.860 -0.320 1.00 0.00 C ATOM 0 H MET A 22 -4.155 -6.967 -1.545 1.00 0.00 H new ATOM 0 HA MET A 22 -6.068 -6.125 -3.553 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.152 -4.813 -1.608 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.807 -3.868 -2.930 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.277 -3.524 -1.087 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.126 -4.574 -2.203 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.768 -6.553 0.434 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.855 -4.883 -0.175 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.643 -6.235 -1.313 1.00 0.00 H new ATOM 304 N ARG A 23 -4.476 -4.951 -5.326 1.00 0.00 N ATOM 305 CA ARG A 23 -3.733 -4.709 -6.577 1.00 0.00 C ATOM 306 C ARG A 23 -2.753 -3.548 -6.445 1.00 0.00 C ATOM 307 O ARG A 23 -1.539 -3.745 -6.459 1.00 0.00 O ATOM 308 CB ARG A 23 -4.729 -4.487 -7.733 1.00 0.00 C ATOM 309 CG ARG A 23 -3.998 -4.158 -9.048 1.00 0.00 C ATOM 310 CD ARG A 23 -4.856 -4.352 -10.303 1.00 0.00 C ATOM 311 NE ARG A 23 -5.632 -3.150 -10.673 1.00 0.00 N ATOM 312 CZ ARG A 23 -6.284 -2.992 -11.815 1.00 0.00 C ATOM 313 NH1 ARG A 23 -6.380 -3.956 -12.691 1.00 0.00 N ATOM 314 NH2 ARG A 23 -6.844 -1.856 -12.120 1.00 0.00 N ATOM 0 H ARG A 23 -5.283 -4.337 -5.213 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.130 -5.590 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.338 -5.381 -7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.408 -3.673 -7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.654 -3.124 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.111 -4.787 -9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.211 -4.630 -11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.542 -5.183 -10.140 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.668 -2.385 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.946 -4.860 -12.504 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.889 -3.805 -13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.785 -1.069 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.342 -1.754 -13.004 1.00 0.00 H new ATOM 325 N PHE A 24 -3.293 -2.336 -6.339 1.00 0.00 N ATOM 326 CA PHE A 24 -2.514 -1.111 -6.160 1.00 0.00 C ATOM 327 C PHE A 24 -1.898 -1.043 -4.758 1.00 0.00 C ATOM 328 O PHE A 24 -2.347 -1.723 -3.831 1.00 0.00 O ATOM 329 CB PHE A 24 -3.424 0.096 -6.419 1.00 0.00 C ATOM 330 CG PHE A 24 -3.532 0.516 -7.873 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.422 1.098 -8.510 1.00 0.00 C ATOM 332 CD2 PHE A 24 -4.744 0.378 -8.575 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.514 1.531 -9.843 1.00 0.00 C ATOM 334 CE2 PHE A 24 -4.841 0.821 -9.905 1.00 0.00 C ATOM 335 CZ PHE A 24 -3.725 1.391 -10.539 1.00 0.00 C ATOM 0 H PHE A 24 -4.299 -2.174 -6.375 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.688 -1.104 -6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.423 -0.134 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.055 0.942 -5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.493 1.213 -7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.600 -0.069 -8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.656 1.970 -10.331 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.774 0.723 -10.440 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.799 1.722 -11.564 1.00 0.00 H new ATOM 344 N GLY A 25 -0.893 -0.182 -4.599 1.00 0.00 N ATOM 345 CA GLY A 25 -0.238 0.068 -3.321 1.00 0.00 C ATOM 346 C GLY A 25 0.657 1.303 -3.367 1.00 0.00 C ATOM 347 O GLY A 25 1.583 1.360 -4.179 1.00 0.00 O ATOM 0 H GLY A 25 -0.508 0.368 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.994 0.197 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.358 -0.801 -3.043 1.00 0.00 H new ATOM 351 N LYS A 26 0.382 2.288 -2.506 1.00 0.00 N ATOM 352 CA LYS A 26 1.176 3.521 -2.393 1.00 0.00 C ATOM 353 C LYS A 26 1.057 4.146 -1.003 1.00 0.00 C ATOM 354 O LYS A 26 0.037 4.010 -0.328 1.00 0.00 O ATOM 355 CB LYS A 26 0.743 4.509 -3.500 1.00 0.00 C ATOM 356 CG LYS A 26 1.952 5.238 -4.109 1.00 0.00 C ATOM 357 CD LYS A 26 1.560 6.018 -5.373 1.00 0.00 C ATOM 358 CE LYS A 26 2.810 6.446 -6.161 1.00 0.00 C ATOM 359 NZ LYS A 26 2.947 7.921 -6.264 1.00 0.00 N ATOM 0 H LYS A 26 -0.406 2.254 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 26 2.229 3.275 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.210 3.969 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.047 5.239 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.374 5.923 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.730 4.514 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.921 5.400 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.980 6.898 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.697 6.036 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.767 6.019 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.805 8.153 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.115 8.314 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.017 8.331 -5.311 1.00 0.00 H new ATOM 369 N CYS A 27 2.102 4.850 -0.581 1.00 0.00 N ATOM 370 CA CYS A 27 2.110 5.620 0.661 1.00 0.00 C ATOM 371 C CYS A 27 1.348 6.942 0.446 1.00 0.00 C ATOM 372 O CYS A 27 1.799 7.814 -0.303 1.00 0.00 O ATOM 373 CB CYS A 27 3.569 5.840 1.074 1.00 0.00 C ATOM 374 SG CYS A 27 3.878 6.542 2.716 1.00 0.00 S ATOM 0 H CYS A 27 2.980 4.904 -1.098 1.00 0.00 H new ATOM 0 HA CYS A 27 1.604 5.089 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.083 4.881 1.016 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.032 6.495 0.336 1.00 0.00 H new ATOM 378 N THR A 28 0.185 7.090 1.084 1.00 0.00 N ATOM 379 CA THR A 28 -0.660 8.302 1.051 1.00 0.00 C ATOM 380 C THR A 28 -1.068 8.700 2.469 1.00 0.00 C ATOM 381 O THR A 28 -1.219 7.837 3.332 1.00 0.00 O ATOM 382 CB THR A 28 -1.906 8.092 0.170 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.411 9.357 -0.212 1.00 0.00 O ATOM 384 CG2 THR A 28 -3.055 7.347 0.860 1.00 0.00 C ATOM 0 H THR A 28 -0.214 6.349 1.659 1.00 0.00 H new ATOM 0 HA THR A 28 -0.075 9.110 0.612 1.00 0.00 H new ATOM 0 HB THR A 28 -1.573 7.483 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.204 9.236 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.890 7.244 0.167 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.715 6.358 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.378 7.908 1.737 1.00 0.00 H new ATOM 392 N ASN A 29 -1.252 9.994 2.739 1.00 0.00 N ATOM 393 CA ASN A 29 -1.620 10.504 4.068 1.00 0.00 C ATOM 394 C ASN A 29 -0.728 9.965 5.224 1.00 0.00 C ATOM 395 O ASN A 29 -1.204 9.729 6.338 1.00 0.00 O ATOM 396 CB ASN A 29 -3.130 10.241 4.259 1.00 0.00 C ATOM 397 CG ASN A 29 -3.753 11.069 5.372 1.00 0.00 C ATOM 398 OD1 ASN A 29 -3.371 12.202 5.640 1.00 0.00 O ATOM 399 ND2 ASN A 29 -4.754 10.543 6.044 1.00 0.00 N ATOM 0 H ASN A 29 -1.150 10.727 2.037 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.429 11.576 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.649 10.454 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.282 9.183 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.208 11.078 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.076 9.600 5.825 1.00 0.00 H new ATOM 405 N GLY A 30 0.558 9.696 4.944 1.00 0.00 N ATOM 406 CA GLY A 30 1.512 9.078 5.879 1.00 0.00 C ATOM 407 C GLY A 30 1.198 7.626 6.270 1.00 0.00 C ATOM 408 O GLY A 30 1.566 7.196 7.365 1.00 0.00 O ATOM 0 H GLY A 30 0.973 9.908 4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.506 9.110 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.550 9.681 6.786 1.00 0.00 H new ATOM 412 N LYS A 31 0.505 6.874 5.404 1.00 0.00 N ATOM 413 CA LYS A 31 0.047 5.493 5.634 1.00 0.00 C ATOM 414 C LYS A 31 -0.060 4.707 4.326 1.00 0.00 C ATOM 415 O LYS A 31 -0.110 5.265 3.233 1.00 0.00 O ATOM 416 CB LYS A 31 -1.313 5.541 6.370 1.00 0.00 C ATOM 417 CG LYS A 31 -1.246 4.933 7.783 1.00 0.00 C ATOM 418 CD LYS A 31 -2.006 5.739 8.846 1.00 0.00 C ATOM 419 CE LYS A 31 -3.513 5.855 8.576 1.00 0.00 C ATOM 420 NZ LYS A 31 -3.902 7.211 8.104 1.00 0.00 N ATOM 0 H LYS A 31 0.236 7.224 4.485 1.00 0.00 H new ATOM 0 HA LYS A 31 0.780 4.971 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.647 6.576 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.058 5.004 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.650 3.921 7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.201 4.850 8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.856 5.272 9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.579 6.740 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.803 5.116 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.062 5.619 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.687 7.131 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.202 7.788 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.089 7.663 7.639 1.00 0.00 H new ATOM 430 N CYS A 32 -0.079 3.386 4.428 1.00 0.00 N ATOM 431 CA CYS A 32 -0.208 2.510 3.276 1.00 0.00 C ATOM 432 C CYS A 32 -1.662 2.485 2.781 1.00 0.00 C ATOM 433 O CYS A 32 -2.591 2.254 3.559 1.00 0.00 O ATOM 434 CB CYS A 32 0.307 1.123 3.665 1.00 0.00 C ATOM 435 SG CYS A 32 0.455 -0.057 2.300 1.00 0.00 S ATOM 0 H CYS A 32 -0.005 2.891 5.317 1.00 0.00 H new ATOM 0 HA CYS A 32 0.391 2.878 2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.284 1.235 4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.362 0.703 4.416 1.00 0.00 H new ATOM 439 N HIS A 33 -1.846 2.689 1.481 1.00 0.00 N ATOM 440 CA HIS A 33 -3.135 2.660 0.787 1.00 0.00 C ATOM 441 C HIS A 33 -3.045 1.650 -0.359 1.00 0.00 C ATOM 442 O HIS A 33 -2.111 1.686 -1.157 1.00 0.00 O ATOM 443 CB HIS A 33 -3.463 4.070 0.272 1.00 0.00 C ATOM 444 CG HIS A 33 -4.212 4.128 -1.044 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.510 3.743 -1.289 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.679 4.538 -2.239 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.754 3.916 -2.603 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.668 4.404 -3.222 1.00 0.00 N ATOM 0 H HIS A 33 -1.068 2.888 0.852 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.936 2.354 1.460 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.054 4.586 1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.531 4.624 0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.674 4.900 -2.395 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.692 3.693 -3.090 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.580 4.632 -4.212 1.00 0.00 H new ATOM 456 N CYS A 34 -4.060 0.804 -0.443 1.00 0.00 N ATOM 457 CA CYS A 34 -4.237 -0.199 -1.487 1.00 0.00 C ATOM 458 C CYS A 34 -5.665 -0.096 -2.040 1.00 0.00 C ATOM 459 O CYS A 34 -6.556 0.452 -1.383 1.00 0.00 O ATOM 460 CB CYS A 34 -3.998 -1.606 -0.913 1.00 0.00 C ATOM 461 SG CYS A 34 -2.780 -1.790 0.416 1.00 0.00 S ATOM 0 H CYS A 34 -4.816 0.796 0.242 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.519 -0.023 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.952 -1.983 -0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.695 -2.254 -1.735 1.00 0.00 H new ATOM 465 N THR A 35 -5.908 -0.697 -3.198 1.00 0.00 N ATOM 466 CA THR A 35 -7.241 -0.747 -3.836 1.00 0.00 C ATOM 467 C THR A 35 -7.435 -2.089 -4.557 1.00 0.00 C ATOM 468 O THR A 35 -6.448 -2.753 -4.905 1.00 0.00 O ATOM 469 CB THR A 35 -7.482 0.445 -4.799 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.296 1.132 -5.149 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.385 1.516 -4.177 1.00 0.00 C ATOM 0 H THR A 35 -5.184 -1.173 -3.736 1.00 0.00 H new ATOM 0 HA THR A 35 -7.986 -0.661 -3.045 1.00 0.00 H new ATOM 0 HB THR A 35 -7.936 -0.022 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.512 1.869 -5.757 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.526 2.331 -4.887 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.352 1.078 -3.931 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.920 1.902 -3.270 1.00 0.00 H new ATOM 479 N PRO A 36 -8.694 -2.532 -4.755 1.00 0.00 N ATOM 480 CA PRO A 36 -9.003 -3.785 -5.452 1.00 0.00 C ATOM 481 C PRO A 36 -8.661 -3.717 -6.952 1.00 0.00 C ATOM 482 O PRO A 36 -8.325 -2.653 -7.492 1.00 0.00 O ATOM 483 CB PRO A 36 -10.498 -4.021 -5.201 1.00 0.00 C ATOM 484 CG PRO A 36 -11.068 -2.615 -5.032 1.00 0.00 C ATOM 485 CD PRO A 36 -9.931 -1.858 -4.358 1.00 0.00 C ATOM 0 HA PRO A 36 -8.400 -4.613 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.966 -4.544 -6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.663 -4.629 -4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.335 -2.171 -5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.970 -2.617 -4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.921 -0.813 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.047 -1.866 -3.274 1.00 0.00 H new ATOM 490 N LYS A 37 -8.741 -4.870 -7.632 1.00 0.00 N ATOM 491 CA LYS A 37 -8.592 -4.974 -9.099 1.00 0.00 C ATOM 492 C LYS A 37 -9.671 -4.189 -9.871 1.00 0.00 C ATOM 493 O LYS A 37 -9.398 -3.803 -11.027 1.00 0.00 O ATOM 494 CB LYS A 37 -8.588 -6.447 -9.547 1.00 0.00 C ATOM 495 CG LYS A 37 -7.522 -7.322 -8.868 1.00 0.00 C ATOM 496 CD LYS A 37 -7.317 -8.632 -9.642 1.00 0.00 C ATOM 497 CE LYS A 37 -6.643 -9.694 -8.764 1.00 0.00 C ATOM 498 NZ LYS A 37 -6.416 -10.954 -9.518 1.00 0.00 N ATOM 0 H LYS A 37 -8.912 -5.768 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.631 -4.520 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.570 -6.876 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.436 -6.484 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.580 -6.777 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.825 -7.543 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.279 -9.004 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.706 -8.444 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.691 -9.313 -8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.265 -9.897 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.959 -11.652 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.328 -11.329 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.802 -10.763 -10.336 1.00 0.00 H new