USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 279 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 Set 1.1: A 9 HIS : no HD1:sc= -0.372 K(o=-1.9,f=-2.7) USER MOD Set 1.2: A 12 GLN : amide:sc= -1.53! C(o=-1.9!,f=-4.6!) USER MOD Single : A 4 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.039) 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 10 SER OG : rot 48:sc= 0.181 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= -0.295 (180deg=-0.38) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= -0.0136 (180deg=-0.187) 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 29 ASN : amide:sc= -0.9 X(o=-0.9,f=-0.95) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.0424 (180deg=-0.338) USER MOD ----------------------------------------------------------------- ATOM 19 N GLY A 2 -1.709 -5.544 -4.272 1.00 0.00 N ATOM 20 CA GLY A 2 -0.451 -5.167 -4.874 1.00 0.00 C ATOM 21 C GLY A 2 -0.516 -3.839 -5.600 1.00 0.00 C ATOM 22 O GLY A 2 -1.358 -3.635 -6.479 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.314 -5.114 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.143 -5.943 -5.575 1.00 0.00 H new ATOM 26 N ILE A 3 0.361 -2.929 -5.220 1.00 0.00 N ATOM 27 CA ILE A 3 0.496 -1.655 -5.900 1.00 0.00 C ATOM 28 C ILE A 3 1.942 -1.476 -6.329 1.00 0.00 C ATOM 29 O ILE A 3 2.836 -2.147 -5.807 1.00 0.00 O ATOM 30 CB ILE A 3 0.057 -0.470 -5.007 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.761 -0.521 -3.649 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.455 -0.474 -4.827 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.403 0.626 -2.727 1.00 0.00 C ATOM 0 H ILE A 3 0.998 -3.052 -4.433 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.160 -1.661 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 3 0.345 0.457 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.511 -1.461 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.839 -0.522 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.749 0.365 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.938 -0.383 -5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.763 -1.407 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.942 0.518 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.678 1.570 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.670 0.616 -2.534 1.00 0.00 H new ATOM 45 N ASN A 4 2.170 -0.586 -7.280 1.00 0.00 N ATOM 46 CA ASN A 4 3.506 -0.371 -7.829 1.00 0.00 C ATOM 47 C ASN A 4 4.313 0.526 -6.898 1.00 0.00 C ATOM 48 O ASN A 4 4.682 1.650 -7.242 1.00 0.00 O ATOM 49 CB ASN A 4 3.412 0.240 -9.235 1.00 0.00 C ATOM 50 CG ASN A 4 4.750 0.283 -9.958 1.00 0.00 C ATOM 51 OD1 ASN A 4 5.145 -0.684 -10.609 1.00 0.00 O ATOM 52 ND2 ASN A 4 5.443 1.409 -9.875 1.00 0.00 N ATOM 0 H ASN A 4 1.447 0.003 -7.692 1.00 0.00 H new ATOM 0 HA ASN A 4 4.017 -1.331 -7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.703 -0.337 -9.829 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.014 1.252 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.336 1.495 -10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.084 2.190 -9.326 1.00 0.00 H new ATOM 59 N VAL A 5 4.554 0.027 -5.696 1.00 0.00 N ATOM 60 CA VAL A 5 5.293 0.756 -4.682 1.00 0.00 C ATOM 61 C VAL A 5 6.217 -0.194 -3.941 1.00 0.00 C ATOM 62 O VAL A 5 6.026 -1.414 -3.959 1.00 0.00 O ATOM 63 CB VAL A 5 4.348 1.436 -3.662 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.099 2.350 -2.706 1.00 0.00 C ATOM 65 CG2 VAL A 5 3.262 2.213 -4.360 1.00 0.00 C ATOM 0 H VAL A 5 4.241 -0.897 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 5 5.869 1.532 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 5 3.894 0.635 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.395 2.805 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.836 1.769 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.605 3.132 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.614 2.679 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.711 2.984 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.674 1.538 -4.982 1.00 0.00 H new ATOM 75 N LYS A 6 7.203 0.376 -3.290 1.00 0.00 N ATOM 76 CA LYS A 6 8.181 -0.391 -2.544 1.00 0.00 C ATOM 77 C LYS A 6 8.041 -0.104 -1.058 1.00 0.00 C ATOM 78 O LYS A 6 8.005 1.057 -0.645 1.00 0.00 O ATOM 79 CB LYS A 6 9.592 -0.055 -3.026 1.00 0.00 C ATOM 80 CG LYS A 6 9.826 -0.413 -4.483 1.00 0.00 C ATOM 81 CD LYS A 6 11.203 0.017 -4.954 1.00 0.00 C ATOM 82 CE LYS A 6 11.432 -0.358 -6.407 1.00 0.00 C ATOM 83 NZ LYS A 6 12.737 0.141 -6.909 1.00 0.00 N ATOM 0 H LYS A 6 7.353 1.385 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 6 8.004 -1.453 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.773 1.011 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.316 -0.585 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.716 -1.489 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.065 0.063 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.311 1.095 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.965 -0.451 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.393 -1.442 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.628 0.051 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.855 -0.136 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.765 1.178 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.507 -0.269 -6.342 1.00 0.00 H new ATOM 97 N CYS A 7 7.940 -1.161 -0.270 1.00 0.00 N ATOM 98 CA CYS A 7 7.802 -1.035 1.174 1.00 0.00 C ATOM 99 C CYS A 7 9.066 -0.444 1.797 1.00 0.00 C ATOM 100 O CYS A 7 10.044 -1.157 2.031 1.00 0.00 O ATOM 101 CB CYS A 7 7.520 -2.395 1.816 1.00 0.00 C ATOM 102 SG CYS A 7 7.829 -2.437 3.616 1.00 0.00 S ATOM 0 H CYS A 7 7.951 -2.123 -0.608 1.00 0.00 H new ATOM 0 HA CYS A 7 6.963 -0.365 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.481 -2.667 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.139 -3.150 1.332 1.00 0.00 H new ATOM 107 N LYS A 8 9.067 0.859 2.037 1.00 0.00 N ATOM 108 CA LYS A 8 10.145 1.476 2.784 1.00 0.00 C ATOM 109 C LYS A 8 9.800 1.476 4.264 1.00 0.00 C ATOM 110 O LYS A 8 10.672 1.334 5.120 1.00 0.00 O ATOM 111 CB LYS A 8 10.386 2.907 2.306 1.00 0.00 C ATOM 112 CG LYS A 8 10.832 3.013 0.857 1.00 0.00 C ATOM 113 CD LYS A 8 12.212 2.413 0.650 1.00 0.00 C ATOM 114 CE LYS A 8 12.707 2.645 -0.766 1.00 0.00 C ATOM 115 NZ LYS A 8 14.089 2.137 -0.965 1.00 0.00 N ATOM 0 H LYS A 8 8.339 1.502 1.727 1.00 0.00 H new ATOM 0 HA LYS A 8 11.057 0.903 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.468 3.481 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.142 3.368 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.113 2.502 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.841 4.060 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.913 2.854 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.180 1.343 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.035 2.153 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.677 3.711 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.387 2.316 -1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.735 2.624 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.113 1.114 -0.777 1.00 0.00 H new ATOM 129 N HIS A 9 8.511 1.634 4.553 1.00 0.00 N ATOM 130 CA HIS A 9 8.013 1.702 5.921 1.00 0.00 C ATOM 131 C HIS A 9 6.608 1.124 5.961 1.00 0.00 C ATOM 132 O HIS A 9 5.786 1.443 5.097 1.00 0.00 O ATOM 133 CB HIS A 9 7.977 3.154 6.428 1.00 0.00 C ATOM 134 CG HIS A 9 9.277 3.880 6.296 1.00 0.00 C ATOM 135 ND1 HIS A 9 9.603 4.626 5.184 1.00 0.00 N ATOM 136 CD2 HIS A 9 10.354 3.938 7.114 1.00 0.00 C ATOM 137 CE1 HIS A 9 10.821 5.103 5.319 1.00 0.00 C ATOM 138 NE2 HIS A 9 11.299 4.704 6.480 1.00 0.00 N ATOM 0 H HIS A 9 7.783 1.718 3.844 1.00 0.00 H new ATOM 0 HA HIS A 9 8.682 1.131 6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.211 3.700 5.878 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.678 3.154 7.476 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.451 3.470 8.082 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.341 5.718 4.600 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.223 4.929 6.848 1.00 0.00 H new ATOM 147 N SER A 10 6.330 0.281 6.942 1.00 0.00 N ATOM 148 CA SER A 10 5.017 -0.335 7.058 1.00 0.00 C ATOM 149 C SER A 10 3.984 0.683 7.528 1.00 0.00 C ATOM 150 O SER A 10 3.712 0.829 8.723 1.00 0.00 O ATOM 151 CB SER A 10 5.084 -1.542 7.986 1.00 0.00 C ATOM 152 OG SER A 10 5.698 -1.209 9.221 1.00 0.00 O ATOM 0 H SER A 10 6.993 0.008 7.668 1.00 0.00 H new ATOM 0 HA SER A 10 4.702 -0.686 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.078 -1.920 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.643 -2.344 7.504 1.00 0.00 H new ATOM 0 HG SER A 10 5.307 -0.380 9.567 1.00 0.00 H new ATOM 158 N GLY A 11 3.421 1.382 6.561 1.00 0.00 N ATOM 159 CA GLY A 11 2.509 2.467 6.830 1.00 0.00 C ATOM 160 C GLY A 11 2.625 3.523 5.759 1.00 0.00 C ATOM 161 O GLY A 11 1.682 4.261 5.487 1.00 0.00 O ATOM 0 H GLY A 11 3.586 1.211 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.487 2.091 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.728 2.902 7.805 1.00 0.00 H new ATOM 165 N GLN A 12 3.796 3.568 5.133 1.00 0.00 N ATOM 166 CA GLN A 12 4.051 4.473 4.023 1.00 0.00 C ATOM 167 C GLN A 12 3.217 4.069 2.814 1.00 0.00 C ATOM 168 O GLN A 12 2.809 4.911 2.016 1.00 0.00 O ATOM 169 CB GLN A 12 5.538 4.451 3.661 1.00 0.00 C ATOM 170 CG GLN A 12 5.881 5.239 2.413 1.00 0.00 C ATOM 171 CD GLN A 12 7.349 5.152 2.066 1.00 0.00 C ATOM 172 OE1 GLN A 12 7.774 4.243 1.358 1.00 0.00 O ATOM 173 NE2 GLN A 12 8.133 6.094 2.565 1.00 0.00 N ATOM 0 H GLN A 12 4.591 2.980 5.381 1.00 0.00 H new ATOM 0 HA GLN A 12 3.772 5.483 4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.111 4.849 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.852 3.417 3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.289 4.867 1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.605 6.284 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.737 6.831 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.133 6.083 2.366 1.00 0.00 H new ATOM 182 N CYS A 13 2.943 2.772 2.713 1.00 0.00 N ATOM 183 CA CYS A 13 2.182 2.225 1.597 1.00 0.00 C ATOM 184 C CYS A 13 0.756 2.778 1.569 1.00 0.00 C ATOM 185 O CYS A 13 0.052 2.635 0.576 1.00 0.00 O ATOM 186 CB CYS A 13 2.157 0.698 1.680 1.00 0.00 C ATOM 187 SG CYS A 13 3.812 -0.068 1.742 1.00 0.00 S ATOM 0 H CYS A 13 3.240 2.076 3.397 1.00 0.00 H new ATOM 0 HA CYS A 13 2.674 2.527 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.597 0.402 2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.618 0.306 0.817 1.00 0.00 H new ATOM 192 N LEU A 14 0.349 3.427 2.657 1.00 0.00 N ATOM 193 CA LEU A 14 -0.967 4.055 2.741 1.00 0.00 C ATOM 194 C LEU A 14 -1.070 5.238 1.779 1.00 0.00 C ATOM 195 O LEU A 14 -2.112 5.464 1.163 1.00 0.00 O ATOM 196 CB LEU A 14 -1.237 4.544 4.169 1.00 0.00 C ATOM 197 CG LEU A 14 -2.002 3.594 5.092 1.00 0.00 C ATOM 198 CD1 LEU A 14 -3.411 3.399 4.577 1.00 0.00 C ATOM 199 CD2 LEU A 14 -1.292 2.258 5.219 1.00 0.00 C ATOM 0 H LEU A 14 0.916 3.532 3.498 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.710 3.306 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.279 4.773 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.793 5.479 4.108 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.044 4.042 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.950 2.721 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.924 4.360 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.376 2.974 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.861 1.605 5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.210 1.795 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.295 2.414 5.631 1.00 0.00 H new ATOM 211 N LYS A 15 0.026 5.976 1.648 1.00 0.00 N ATOM 212 CA LYS A 15 0.052 7.197 0.847 1.00 0.00 C ATOM 213 C LYS A 15 -0.305 6.929 -0.622 1.00 0.00 C ATOM 214 O LYS A 15 -1.184 7.591 -1.166 1.00 0.00 O ATOM 215 CB LYS A 15 1.418 7.886 0.969 1.00 0.00 C ATOM 216 CG LYS A 15 1.786 8.248 2.399 1.00 0.00 C ATOM 217 CD LYS A 15 3.191 8.816 2.489 1.00 0.00 C ATOM 218 CE LYS A 15 3.566 9.138 3.925 1.00 0.00 C ATOM 219 NZ LYS A 15 4.937 9.699 4.033 1.00 0.00 N ATOM 0 H LYS A 15 0.917 5.748 2.090 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.712 7.868 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.186 7.230 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.416 8.791 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.073 8.977 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.710 7.362 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.902 8.100 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.260 9.719 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.850 9.850 4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.497 8.233 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.151 9.904 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.624 9.010 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.998 10.577 3.479 1.00 0.00 H new ATOM 233 N PRO A 16 0.348 5.961 -1.299 1.00 0.00 N ATOM 234 CA PRO A 16 -0.021 5.603 -2.670 1.00 0.00 C ATOM 235 C PRO A 16 -1.262 4.711 -2.728 1.00 0.00 C ATOM 236 O PRO A 16 -1.870 4.543 -3.786 1.00 0.00 O ATOM 237 CB PRO A 16 1.202 4.845 -3.174 1.00 0.00 C ATOM 238 CG PRO A 16 1.798 4.233 -1.955 1.00 0.00 C ATOM 239 CD PRO A 16 1.509 5.178 -0.823 1.00 0.00 C ATOM 0 HA PRO A 16 -0.276 6.480 -3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.923 4.084 -3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.908 5.515 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.365 3.251 -1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.872 4.090 -2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.278 4.641 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.364 5.820 -0.611 1.00 0.00 H new ATOM 247 N CYS A 17 -1.640 4.150 -1.587 1.00 0.00 N ATOM 248 CA CYS A 17 -2.770 3.232 -1.524 1.00 0.00 C ATOM 249 C CYS A 17 -4.092 3.985 -1.612 1.00 0.00 C ATOM 250 O CYS A 17 -5.065 3.484 -2.179 1.00 0.00 O ATOM 251 CB CYS A 17 -2.729 2.405 -0.242 1.00 0.00 C ATOM 252 SG CYS A 17 -3.816 0.951 -0.273 1.00 0.00 S ATOM 0 H CYS A 17 -1.180 4.315 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.695 2.559 -2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.705 2.078 -0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.011 3.040 0.598 1.00 0.00 H new ATOM 257 N LYS A 18 -4.129 5.194 -1.064 1.00 0.00 N ATOM 258 CA LYS A 18 -5.311 6.034 -1.175 1.00 0.00 C ATOM 259 C LYS A 18 -5.522 6.447 -2.628 1.00 0.00 C ATOM 260 O LYS A 18 -6.622 6.812 -3.026 1.00 0.00 O ATOM 261 CB LYS A 18 -5.184 7.276 -0.297 1.00 0.00 C ATOM 262 CG LYS A 18 -4.042 8.190 -0.701 1.00 0.00 C ATOM 263 CD LYS A 18 -4.162 9.570 -0.070 1.00 0.00 C ATOM 264 CE LYS A 18 -4.172 9.505 1.451 1.00 0.00 C ATOM 265 NZ LYS A 18 -2.941 8.871 1.993 1.00 0.00 N ATOM 0 H LYS A 18 -3.358 5.611 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.171 5.458 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.118 7.836 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.042 6.966 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.095 7.738 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.024 8.289 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.331 10.193 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.077 10.049 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.268 10.513 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.045 8.943 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.944 8.939 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.913 7.870 1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.104 9.360 1.616 1.00 0.00 H new ATOM 279 N LYS A 19 -4.456 6.371 -3.417 1.00 0.00 N ATOM 280 CA LYS A 19 -4.530 6.690 -4.835 1.00 0.00 C ATOM 281 C LYS A 19 -5.004 5.462 -5.591 1.00 0.00 C ATOM 282 O LYS A 19 -5.492 5.546 -6.720 1.00 0.00 O ATOM 283 CB LYS A 19 -3.166 7.143 -5.364 1.00 0.00 C ATOM 284 CG LYS A 19 -2.606 8.370 -4.660 1.00 0.00 C ATOM 285 CD LYS A 19 -3.564 9.548 -4.745 1.00 0.00 C ATOM 286 CE LYS A 19 -2.959 10.808 -4.147 1.00 0.00 C ATOM 287 NZ LYS A 19 -1.802 11.303 -4.940 1.00 0.00 N ATOM 0 H LYS A 19 -3.529 6.090 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.234 7.509 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.457 6.322 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.253 7.356 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.411 8.133 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.651 8.644 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.826 9.729 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.488 9.304 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.721 11.586 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.638 10.606 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.549 12.261 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.990 10.667 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.057 11.328 -5.948 1.00 0.00 H new ATOM 301 N ALA A 20 -4.853 4.321 -4.939 1.00 0.00 N ATOM 302 CA ALA A 20 -5.313 3.053 -5.476 1.00 0.00 C ATOM 303 C ALA A 20 -6.800 2.883 -5.205 1.00 0.00 C ATOM 304 O ALA A 20 -7.509 2.204 -5.946 1.00 0.00 O ATOM 305 CB ALA A 20 -4.528 1.903 -4.860 1.00 0.00 C ATOM 0 H ALA A 20 -4.409 4.249 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.149 3.046 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.883 0.958 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.469 2.022 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.669 1.904 -3.779 1.00 0.00 H new ATOM 311 N GLY A 21 -7.262 3.525 -4.140 1.00 0.00 N ATOM 312 CA GLY A 21 -8.660 3.453 -3.773 1.00 0.00 C ATOM 313 C GLY A 21 -8.931 2.332 -2.798 1.00 0.00 C ATOM 314 O GLY A 21 -10.078 1.925 -2.609 1.00 0.00 O ATOM 0 H GLY A 21 -6.688 4.098 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.968 4.401 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.263 3.308 -4.669 1.00 0.00 H new ATOM 318 N MET A 22 -7.876 1.836 -2.169 1.00 0.00 N ATOM 319 CA MET A 22 -8.000 0.715 -1.252 1.00 0.00 C ATOM 320 C MET A 22 -8.050 1.191 0.192 1.00 0.00 C ATOM 321 O MET A 22 -7.933 2.388 0.458 1.00 0.00 O ATOM 322 CB MET A 22 -6.854 -0.276 -1.453 1.00 0.00 C ATOM 323 CG MET A 22 -6.921 -1.010 -2.780 1.00 0.00 C ATOM 324 SD MET A 22 -8.450 -1.949 -2.970 1.00 0.00 S ATOM 325 CE MET A 22 -8.267 -2.563 -4.643 1.00 0.00 C ATOM 0 H MET A 22 -6.926 2.192 -2.277 1.00 0.00 H new ATOM 0 HA MET A 22 -8.938 0.205 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.906 0.258 -1.388 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.866 -1.004 -0.642 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.836 -0.291 -3.595 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.070 -1.686 -2.862 1.00 0.00 H new ATOM 0 HE1 MET A 22 -9.137 -3.164 -4.907 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.184 -1.722 -5.332 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.368 -3.177 -4.709 1.00 0.00 H new ATOM 335 N ARG A 23 -8.220 0.259 1.116 1.00 0.00 N ATOM 336 CA ARG A 23 -8.415 0.606 2.516 1.00 0.00 C ATOM 337 C ARG A 23 -7.085 0.971 3.181 1.00 0.00 C ATOM 338 O ARG A 23 -6.836 2.139 3.486 1.00 0.00 O ATOM 339 CB ARG A 23 -9.104 -0.552 3.241 1.00 0.00 C ATOM 340 CG ARG A 23 -9.624 -0.199 4.619 1.00 0.00 C ATOM 341 CD ARG A 23 -10.807 -1.079 5.005 1.00 0.00 C ATOM 342 NE ARG A 23 -10.616 -2.470 4.598 1.00 0.00 N ATOM 343 CZ ARG A 23 -11.076 -3.522 5.274 1.00 0.00 C ATOM 344 NH1 ARG A 23 -11.690 -3.360 6.440 1.00 0.00 N ATOM 345 NH2 ARG A 23 -10.915 -4.739 4.781 1.00 0.00 N ATOM 0 H ARG A 23 -8.227 -0.743 0.923 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.057 1.485 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.935 -0.905 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.400 -1.380 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.826 -0.316 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.925 0.848 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.954 -1.035 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.714 -0.688 4.544 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.096 -2.647 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.813 -2.424 6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.039 -4.172 6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.441 -4.869 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.265 -5.548 5.295 1.00 0.00 H new ATOM 359 N PHE A 24 -6.231 -0.021 3.407 1.00 0.00 N ATOM 360 CA PHE A 24 -4.901 0.232 3.951 1.00 0.00 C ATOM 361 C PHE A 24 -3.844 -0.356 3.033 1.00 0.00 C ATOM 362 O PHE A 24 -4.161 -1.069 2.083 1.00 0.00 O ATOM 363 CB PHE A 24 -4.713 -0.362 5.358 1.00 0.00 C ATOM 364 CG PHE A 24 -5.965 -0.833 6.024 1.00 0.00 C ATOM 365 CD1 PHE A 24 -6.443 -2.091 5.748 1.00 0.00 C ATOM 366 CD2 PHE A 24 -6.656 -0.033 6.918 1.00 0.00 C ATOM 367 CE1 PHE A 24 -7.584 -2.563 6.342 1.00 0.00 C ATOM 368 CE2 PHE A 24 -7.808 -0.496 7.526 1.00 0.00 C ATOM 369 CZ PHE A 24 -8.274 -1.767 7.237 1.00 0.00 C ATOM 0 H PHE A 24 -6.434 -1.004 3.223 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.794 1.314 4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.019 -1.200 5.291 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.244 0.390 5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.910 -2.719 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.293 0.959 7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.944 -3.555 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.342 0.132 8.224 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.173 -2.135 7.709 1.00 0.00 H new ATOM 379 N GLY A 25 -2.595 -0.076 3.350 1.00 0.00 N ATOM 380 CA GLY A 25 -1.480 -0.565 2.571 1.00 0.00 C ATOM 381 C GLY A 25 -0.405 -1.150 3.460 1.00 0.00 C ATOM 382 O GLY A 25 0.348 -0.414 4.102 1.00 0.00 O ATOM 0 H GLY A 25 -2.328 0.495 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.828 -1.323 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.062 0.249 1.979 1.00 0.00 H new ATOM 386 N LYS A 26 -0.347 -2.468 3.510 1.00 0.00 N ATOM 387 CA LYS A 26 0.596 -3.170 4.363 1.00 0.00 C ATOM 388 C LYS A 26 1.890 -3.442 3.612 1.00 0.00 C ATOM 389 O LYS A 26 1.945 -3.351 2.382 1.00 0.00 O ATOM 390 CB LYS A 26 -0.013 -4.487 4.849 1.00 0.00 C ATOM 391 CG LYS A 26 -0.362 -5.448 3.726 1.00 0.00 C ATOM 392 CD LYS A 26 -1.026 -6.705 4.253 1.00 0.00 C ATOM 393 CE LYS A 26 -1.451 -7.620 3.118 1.00 0.00 C ATOM 394 NZ LYS A 26 -2.210 -8.800 3.605 1.00 0.00 N ATOM 0 H LYS A 26 -0.950 -3.081 2.962 1.00 0.00 H new ATOM 0 HA LYS A 26 0.818 -2.542 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.688 -4.973 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.914 -4.271 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.027 -4.954 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.543 -5.715 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.337 -7.234 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.896 -6.436 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.065 -7.060 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.568 -7.957 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.480 -9.397 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.616 -9.350 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.067 -8.481 4.101 1.00 0.00 H new ATOM 408 N CYS A 27 2.932 -3.773 4.353 1.00 0.00 N ATOM 409 CA CYS A 27 4.208 -4.098 3.751 1.00 0.00 C ATOM 410 C CYS A 27 4.270 -5.560 3.354 1.00 0.00 C ATOM 411 O CYS A 27 3.968 -6.454 4.148 1.00 0.00 O ATOM 412 CB CYS A 27 5.355 -3.759 4.693 1.00 0.00 C ATOM 413 SG CYS A 27 6.020 -2.084 4.455 1.00 0.00 S ATOM 0 H CYS A 27 2.918 -3.823 5.372 1.00 0.00 H new ATOM 0 HA CYS A 27 4.310 -3.494 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.011 -3.862 5.722 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.157 -4.483 4.551 1.00 0.00 H new ATOM 418 N ILE A 28 4.652 -5.786 2.112 1.00 0.00 N ATOM 419 CA ILE A 28 4.811 -7.120 1.578 1.00 0.00 C ATOM 420 C ILE A 28 6.269 -7.311 1.173 1.00 0.00 C ATOM 421 O ILE A 28 7.059 -6.391 1.368 1.00 0.00 O ATOM 422 CB ILE A 28 3.816 -7.344 0.398 1.00 0.00 C ATOM 423 CG1 ILE A 28 2.996 -8.618 0.612 1.00 0.00 C ATOM 424 CG2 ILE A 28 4.518 -7.387 -0.954 1.00 0.00 C ATOM 425 CD1 ILE A 28 2.246 -8.654 1.930 1.00 0.00 C ATOM 0 H ILE A 28 4.861 -5.044 1.444 1.00 0.00 H new ATOM 0 HA ILE A 28 4.572 -7.873 2.329 1.00 0.00 H new ATOM 0 HB ILE A 28 3.143 -6.486 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.281 -8.719 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.662 -9.479 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.781 -7.545 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.036 -6.443 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.240 -8.204 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.689 -9.588 2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.956 -8.586 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.553 -7.814 1.977 1.00 0.00 H new ATOM 437 N ASN A 29 6.624 -8.494 0.673 1.00 0.00 N ATOM 438 CA ASN A 29 7.991 -8.810 0.229 1.00 0.00 C ATOM 439 C ASN A 29 8.612 -7.696 -0.632 1.00 0.00 C ATOM 440 O ASN A 29 8.555 -7.713 -1.859 1.00 0.00 O ATOM 441 CB ASN A 29 8.002 -10.156 -0.518 1.00 0.00 C ATOM 442 CG ASN A 29 7.071 -10.211 -1.724 1.00 0.00 C ATOM 443 OD1 ASN A 29 7.469 -9.932 -2.856 1.00 0.00 O ATOM 444 ND2 ASN A 29 5.830 -10.607 -1.492 1.00 0.00 N ATOM 0 H ASN A 29 5.970 -9.269 0.562 1.00 0.00 H new ATOM 0 HA ASN A 29 8.613 -8.887 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.019 -10.366 -0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.723 -10.947 0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.168 -10.689 -2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.535 -10.830 -0.541 1.00 0.00 H new ATOM 451 N GLY A 30 9.202 -6.713 0.039 1.00 0.00 N ATOM 452 CA GLY A 30 9.847 -5.606 -0.641 1.00 0.00 C ATOM 453 C GLY A 30 8.865 -4.622 -1.260 1.00 0.00 C ATOM 454 O GLY A 30 9.255 -3.526 -1.668 1.00 0.00 O ATOM 0 H GLY A 30 9.245 -6.664 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.484 -5.076 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.498 -5.999 -1.422 1.00 0.00 H new ATOM 458 N LYS A 31 7.589 -4.988 -1.316 1.00 0.00 N ATOM 459 CA LYS A 31 6.603 -4.185 -2.030 1.00 0.00 C ATOM 460 C LYS A 31 5.482 -3.737 -1.107 1.00 0.00 C ATOM 461 O LYS A 31 5.453 -4.080 0.074 1.00 0.00 O ATOM 462 CB LYS A 31 6.021 -4.973 -3.206 1.00 0.00 C ATOM 463 CG LYS A 31 7.056 -5.383 -4.238 1.00 0.00 C ATOM 464 CD LYS A 31 6.435 -6.213 -5.348 1.00 0.00 C ATOM 465 CE LYS A 31 7.456 -6.548 -6.421 1.00 0.00 C ATOM 466 NZ LYS A 31 6.895 -7.434 -7.471 1.00 0.00 N ATOM 0 H LYS A 31 7.215 -5.830 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 31 7.111 -3.298 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.528 -5.867 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.255 -4.369 -3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.520 -4.493 -4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.848 -5.955 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.026 -7.134 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.603 -5.667 -5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.815 -5.626 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.318 -7.032 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.627 -7.636 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.576 -8.325 -7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.089 -6.963 -7.929 1.00 0.00 H new ATOM 480 N CYS A 32 4.568 -2.960 -1.656 1.00 0.00 N ATOM 481 CA CYS A 32 3.404 -2.496 -0.925 1.00 0.00 C ATOM 482 C CYS A 32 2.156 -3.218 -1.408 1.00 0.00 C ATOM 483 O CYS A 32 1.802 -3.152 -2.588 1.00 0.00 O ATOM 484 CB CYS A 32 3.248 -0.986 -1.107 1.00 0.00 C ATOM 485 SG CYS A 32 4.465 0.006 -0.181 1.00 0.00 S ATOM 0 H CYS A 32 4.611 -2.633 -2.621 1.00 0.00 H new ATOM 0 HA CYS A 32 3.540 -2.713 0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.333 -0.748 -2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.245 -0.695 -0.794 1.00 0.00 H new ATOM 490 N ASP A 33 1.514 -3.935 -0.505 1.00 0.00 N ATOM 491 CA ASP A 33 0.255 -4.604 -0.825 1.00 0.00 C ATOM 492 C ASP A 33 -0.897 -3.985 -0.050 1.00 0.00 C ATOM 493 O ASP A 33 -0.838 -3.848 1.166 1.00 0.00 O ATOM 494 CB ASP A 33 0.334 -6.102 -0.535 1.00 0.00 C ATOM 495 CG ASP A 33 -0.985 -6.812 -0.783 1.00 0.00 C ATOM 496 OD1 ASP A 33 -1.586 -6.604 -1.861 1.00 0.00 O ATOM 497 OD2 ASP A 33 -1.425 -7.583 0.089 1.00 0.00 O ATOM 0 H ASP A 33 1.837 -4.072 0.453 1.00 0.00 H new ATOM 0 HA ASP A 33 0.074 -4.470 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.107 -6.550 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.635 -6.253 0.502 1.00 0.00 H new ATOM 502 N CYS A 34 -1.941 -3.613 -0.761 1.00 0.00 N ATOM 503 CA CYS A 34 -3.086 -2.967 -0.142 1.00 0.00 C ATOM 504 C CYS A 34 -4.143 -3.974 0.273 1.00 0.00 C ATOM 505 O CYS A 34 -4.235 -5.070 -0.280 1.00 0.00 O ATOM 506 CB CYS A 34 -3.709 -1.950 -1.091 1.00 0.00 C ATOM 507 SG CYS A 34 -2.739 -0.428 -1.304 1.00 0.00 S ATOM 0 H CYS A 34 -2.023 -3.746 -1.769 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.721 -2.459 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.847 -2.418 -2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.700 -1.686 -0.721 1.00 0.00 H new ATOM 512 N THR A 35 -4.938 -3.586 1.252 1.00 0.00 N ATOM 513 CA THR A 35 -6.069 -4.370 1.676 1.00 0.00 C ATOM 514 C THR A 35 -7.340 -3.720 1.165 1.00 0.00 C ATOM 515 O THR A 35 -7.574 -2.534 1.408 1.00 0.00 O ATOM 516 CB THR A 35 -6.140 -4.444 3.204 1.00 0.00 C ATOM 517 OG1 THR A 35 -4.910 -4.958 3.730 1.00 0.00 O ATOM 518 CG2 THR A 35 -7.303 -5.309 3.665 1.00 0.00 C ATOM 0 H THR A 35 -4.813 -2.718 1.772 1.00 0.00 H new ATOM 0 HA THR A 35 -5.961 -5.378 1.277 1.00 0.00 H new ATOM 0 HB THR A 35 -6.301 -3.434 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.964 -5.000 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.324 -5.340 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.238 -4.888 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.181 -6.320 3.276 1.00 0.00 H new ATOM 526 N PRO A 36 -8.163 -4.464 0.432 1.00 0.00 N ATOM 527 CA PRO A 36 -9.430 -3.956 -0.056 1.00 0.00 C ATOM 528 C PRO A 36 -10.505 -4.025 1.019 1.00 0.00 C ATOM 529 O PRO A 36 -10.258 -4.504 2.129 1.00 0.00 O ATOM 530 CB PRO A 36 -9.749 -4.895 -1.212 1.00 0.00 C ATOM 531 CG PRO A 36 -9.133 -6.196 -0.823 1.00 0.00 C ATOM 532 CD PRO A 36 -7.930 -5.864 0.024 1.00 0.00 C ATOM 0 HA PRO A 36 -9.387 -2.907 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.825 -4.994 -1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.334 -4.525 -2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.842 -6.810 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.841 -6.766 -1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.854 -6.525 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.003 -5.968 -0.540 1.00 0.00 H new ATOM 540 N LYS A 37 -11.684 -3.530 0.701 1.00 0.00 N ATOM 541 CA LYS A 37 -12.806 -3.606 1.617 1.00 0.00 C ATOM 542 C LYS A 37 -13.545 -4.923 1.412 1.00 0.00 C ATOM 543 O LYS A 37 -13.502 -5.776 2.319 1.00 0.00 O ATOM 544 CB LYS A 37 -13.746 -2.403 1.442 1.00 0.00 C ATOM 545 CG LYS A 37 -14.242 -2.197 0.019 1.00 0.00 C ATOM 546 CD LYS A 37 -15.117 -0.962 -0.095 1.00 0.00 C ATOM 547 CE LYS A 37 -15.627 -0.772 -1.514 1.00 0.00 C ATOM 548 NZ LYS A 37 -14.515 -0.675 -2.497 1.00 0.00 N ATOM 549 OXT LYS A 37 -14.117 -5.127 0.319 1.00 0.00 O ATOM 0 H LYS A 37 -11.891 -3.070 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.431 -3.572 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.606 -2.531 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.227 -1.501 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.390 -2.103 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.805 -3.074 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.962 -1.049 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.549 -0.083 0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.275 -1.607 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.234 0.132 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.884 -0.330 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.795 -0.014 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.087 -1.613 -2.631 1.00 0.00 H new