USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 282 hydrogens (2 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 4 ASN : amide:sc= -0.297 X(o=-0.19,f=-0.4) USER MOD Set 1.2: A 31 LYS NZ :NH3+ -149:sc= 0.112 (180deg=0) USER MOD Set 2.1: A 1 VAL N :NH3+ -172:sc= -1.53 (180deg=-1.8) USER MOD Set 2.2: A 22 MET CE :methyl 180:sc= -0.507 (180deg=-0.445) 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= -0.434 K(o=-0.43,f=-1.8) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0956 USER MOD Single : A 12 GLN : amide:sc= -0.0155 K(o=-0.015,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= -0.469 (180deg=-0.594) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.0591 (180deg=-0.431) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= -0.0104 (180deg=-0.165) USER MOD Single : A 29 ASN : amide:sc= -0.775 K(o=-0.78,f=-3.5!) USER MOD Single : A 35 THR OG1 : rot 160:sc= -0.0121 USER MOD Single : A 37 LYS NZ :NH3+ -134:sc= -1.86 (180deg=-4.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.624 -1.915 2.093 1.00 0.00 N ATOM 2 CA VAL A 1 2.060 -2.015 0.669 1.00 0.00 C ATOM 3 C VAL A 1 3.588 -2.133 0.570 1.00 0.00 C ATOM 4 O VAL A 1 4.287 -2.021 1.557 1.00 0.00 O ATOM 5 CB VAL A 1 1.588 -0.760 -0.127 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.045 -0.696 -0.121 1.00 0.00 C ATOM 7 CG2 VAL A 1 2.156 0.537 0.499 1.00 0.00 C ATOM 0 H1 VAL A 1 0.587 -1.973 2.143 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.041 -2.695 2.639 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.940 -1.007 2.490 1.00 0.00 H new ATOM 0 HA VAL A 1 1.609 -2.911 0.242 1.00 0.00 H new ATOM 0 HB VAL A 1 1.955 -0.843 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -0.285 0.181 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.358 -1.595 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.312 -0.629 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.813 1.398 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.811 0.625 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.245 0.502 0.483 1.00 0.00 H new ATOM 19 N GLY A 2 4.024 -2.366 -0.641 1.00 0.00 N ATOM 20 CA GLY A 2 5.467 -2.525 -1.022 1.00 0.00 C ATOM 21 C GLY A 2 6.561 -1.796 -0.267 1.00 0.00 C ATOM 22 O GLY A 2 6.339 -0.924 0.549 1.00 0.00 O ATOM 0 H GLY A 2 3.393 -2.459 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.696 -3.589 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.554 -2.235 -2.069 1.00 0.00 H new ATOM 26 N ILE A 3 7.752 -2.213 -0.617 1.00 0.00 N ATOM 27 CA ILE A 3 8.973 -1.650 -0.013 1.00 0.00 C ATOM 28 C ILE A 3 9.701 -0.922 -1.151 1.00 0.00 C ATOM 29 O ILE A 3 9.284 0.139 -1.568 1.00 0.00 O ATOM 30 CB ILE A 3 9.767 -2.877 0.617 1.00 0.00 C ATOM 31 CG1 ILE A 3 9.876 -4.094 -0.367 1.00 0.00 C ATOM 32 CG2 ILE A 3 8.950 -3.393 1.813 1.00 0.00 C ATOM 33 CD1 ILE A 3 10.754 -5.213 0.229 1.00 0.00 C ATOM 0 H ILE A 3 7.921 -2.938 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 3 8.819 -0.929 0.790 1.00 0.00 H new ATOM 0 HB ILE A 3 10.766 -2.523 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.881 -4.483 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.299 -3.762 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 3 9.467 -4.237 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.837 -2.596 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.966 -3.713 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.812 -6.044 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 3 11.756 -4.827 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.316 -5.560 1.165 1.00 0.00 H new ATOM 45 N ASN A 4 10.754 -1.532 -1.607 1.00 0.00 N ATOM 46 CA ASN A 4 11.622 -1.023 -2.703 1.00 0.00 C ATOM 47 C ASN A 4 12.692 -2.096 -3.026 1.00 0.00 C ATOM 48 O ASN A 4 13.814 -1.769 -3.361 1.00 0.00 O ATOM 49 CB ASN A 4 12.250 0.230 -2.183 1.00 0.00 C ATOM 50 CG ASN A 4 13.032 0.971 -3.276 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.487 1.372 -4.286 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.311 1.171 -3.112 1.00 0.00 N ATOM 0 H ASN A 4 11.069 -2.428 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 4 11.070 -0.817 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.477 0.885 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.920 -0.014 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.847 1.661 -3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 4 14.775 0.837 -2.267 1.00 0.00 H new ATOM 59 N VAL A 5 12.317 -3.346 -2.922 1.00 0.00 N ATOM 60 CA VAL A 5 13.271 -4.465 -3.207 1.00 0.00 C ATOM 61 C VAL A 5 12.626 -5.363 -4.253 1.00 0.00 C ATOM 62 O VAL A 5 11.429 -5.302 -4.464 1.00 0.00 O ATOM 63 CB VAL A 5 13.539 -5.241 -1.882 1.00 0.00 C ATOM 64 CG1 VAL A 5 14.584 -6.363 -2.090 1.00 0.00 C ATOM 65 CG2 VAL A 5 14.066 -4.265 -0.806 1.00 0.00 C ATOM 0 H VAL A 5 11.380 -3.644 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 5 14.225 -4.099 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 5 12.599 -5.691 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.749 -6.886 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.218 -7.068 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.523 -5.927 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.253 -4.810 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.994 -3.809 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.324 -3.487 -0.626 1.00 0.00 H new ATOM 75 N LYS A 6 13.447 -6.176 -4.864 1.00 0.00 N ATOM 76 CA LYS A 6 12.995 -7.106 -5.900 1.00 0.00 C ATOM 77 C LYS A 6 12.818 -8.512 -5.320 1.00 0.00 C ATOM 78 O LYS A 6 13.601 -8.982 -4.516 1.00 0.00 O ATOM 79 CB LYS A 6 14.059 -7.035 -6.970 1.00 0.00 C ATOM 80 CG LYS A 6 13.722 -5.935 -8.001 1.00 0.00 C ATOM 81 CD LYS A 6 14.822 -5.892 -9.079 1.00 0.00 C ATOM 82 CE LYS A 6 14.481 -4.801 -10.109 1.00 0.00 C ATOM 83 NZ LYS A 6 15.536 -4.747 -11.160 1.00 0.00 N ATOM 0 H LYS A 6 14.447 -6.223 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 6 12.019 -6.849 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.027 -6.829 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.142 -7.999 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.754 -6.136 -8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.645 -4.967 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.789 -5.686 -8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.903 -6.861 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.513 -5.009 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.400 -3.834 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.299 -4.008 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.453 -4.529 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.593 -5.667 -11.642 1.00 0.00 H new ATOM 97 N CYS A 7 11.761 -9.119 -5.784 1.00 0.00 N ATOM 98 CA CYS A 7 11.368 -10.498 -5.374 1.00 0.00 C ATOM 99 C CYS A 7 11.281 -11.452 -6.554 1.00 0.00 C ATOM 100 O CYS A 7 11.294 -11.081 -7.711 1.00 0.00 O ATOM 101 CB CYS A 7 10.015 -10.419 -4.695 1.00 0.00 C ATOM 102 SG CYS A 7 8.795 -9.436 -5.598 1.00 0.00 S ATOM 0 H CYS A 7 11.126 -8.696 -6.461 1.00 0.00 H new ATOM 0 HA CYS A 7 12.133 -10.887 -4.702 1.00 0.00 H new ATOM 0 HB2 CYS A 7 9.627 -11.429 -4.563 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.144 -9.994 -3.699 1.00 0.00 H new ATOM 107 N LYS A 8 11.191 -12.679 -6.136 1.00 0.00 N ATOM 108 CA LYS A 8 11.081 -13.858 -7.035 1.00 0.00 C ATOM 109 C LYS A 8 9.728 -14.492 -6.673 1.00 0.00 C ATOM 110 O LYS A 8 8.975 -14.899 -7.536 1.00 0.00 O ATOM 111 CB LYS A 8 12.241 -14.839 -6.744 1.00 0.00 C ATOM 112 CG LYS A 8 13.641 -14.178 -6.923 1.00 0.00 C ATOM 113 CD LYS A 8 14.168 -14.216 -8.387 1.00 0.00 C ATOM 114 CE LYS A 8 13.287 -13.423 -9.368 1.00 0.00 C ATOM 115 NZ LYS A 8 13.960 -13.342 -10.695 1.00 0.00 N ATOM 0 H LYS A 8 11.189 -12.925 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 8 11.139 -13.597 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.148 -15.215 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.161 -15.699 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.588 -13.141 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.357 -14.683 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.181 -13.815 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.227 -15.253 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.315 -13.906 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.105 -12.421 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.362 -12.806 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.877 -12.862 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.112 -14.301 -11.067 1.00 0.00 H new ATOM 129 N HIS A 9 9.483 -14.549 -5.386 1.00 0.00 N ATOM 130 CA HIS A 9 8.222 -15.131 -4.830 1.00 0.00 C ATOM 131 C HIS A 9 7.573 -14.149 -3.856 1.00 0.00 C ATOM 132 O HIS A 9 8.112 -13.101 -3.556 1.00 0.00 O ATOM 133 CB HIS A 9 8.562 -16.438 -4.100 1.00 0.00 C ATOM 134 CG HIS A 9 9.456 -17.285 -5.005 1.00 0.00 C ATOM 135 ND1 HIS A 9 10.745 -17.212 -5.059 1.00 0.00 N ATOM 136 CD2 HIS A 9 9.130 -18.255 -5.926 1.00 0.00 C ATOM 137 CE1 HIS A 9 11.192 -18.057 -5.931 1.00 0.00 C ATOM 138 NE2 HIS A 9 10.219 -18.728 -6.497 1.00 0.00 N ATOM 0 H HIS A 9 10.128 -14.204 -4.675 1.00 0.00 H new ATOM 0 HA HIS A 9 7.522 -15.329 -5.642 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.070 -16.225 -3.159 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.650 -16.982 -3.854 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.125 -18.582 -6.149 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.238 -18.193 -6.164 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.289 -19.450 -7.214 1.00 0.00 H new ATOM 146 N SER A 10 6.421 -14.553 -3.385 1.00 0.00 N ATOM 147 CA SER A 10 5.645 -13.728 -2.417 1.00 0.00 C ATOM 148 C SER A 10 6.116 -14.065 -0.978 1.00 0.00 C ATOM 149 O SER A 10 5.397 -13.912 -0.010 1.00 0.00 O ATOM 150 CB SER A 10 4.152 -14.053 -2.593 1.00 0.00 C ATOM 151 OG SER A 10 3.865 -13.622 -3.917 1.00 0.00 O ATOM 0 H SER A 10 5.979 -15.437 -3.637 1.00 0.00 H new ATOM 0 HA SER A 10 5.803 -12.664 -2.594 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.957 -15.118 -2.468 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.539 -13.528 -1.860 1.00 0.00 H new ATOM 0 HG SER A 10 2.922 -13.794 -4.120 1.00 0.00 H new ATOM 157 N GLY A 11 7.346 -14.517 -0.928 1.00 0.00 N ATOM 158 CA GLY A 11 8.063 -14.915 0.320 1.00 0.00 C ATOM 159 C GLY A 11 9.247 -13.947 0.340 1.00 0.00 C ATOM 160 O GLY A 11 9.529 -13.300 1.329 1.00 0.00 O ATOM 0 H GLY A 11 7.917 -14.632 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.433 -14.805 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.389 -15.955 0.288 1.00 0.00 H new ATOM 164 N GLN A 12 9.899 -13.906 -0.796 1.00 0.00 N ATOM 165 CA GLN A 12 11.081 -13.045 -1.068 1.00 0.00 C ATOM 166 C GLN A 12 10.756 -11.584 -0.687 1.00 0.00 C ATOM 167 O GLN A 12 11.627 -10.783 -0.408 1.00 0.00 O ATOM 168 CB GLN A 12 11.371 -13.204 -2.563 1.00 0.00 C ATOM 169 CG GLN A 12 12.786 -13.687 -2.810 1.00 0.00 C ATOM 170 CD GLN A 12 13.791 -12.556 -2.544 1.00 0.00 C ATOM 171 OE1 GLN A 12 13.977 -12.112 -1.428 1.00 0.00 O ATOM 172 NE2 GLN A 12 14.459 -12.063 -3.551 1.00 0.00 N ATOM 0 H GLN A 12 9.633 -14.479 -1.597 1.00 0.00 H new ATOM 0 HA GLN A 12 11.955 -13.327 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.664 -13.910 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.219 -12.250 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.005 -14.537 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.884 -14.035 -3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.309 -12.430 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.131 -11.311 -3.398 1.00 0.00 H new ATOM 181 N CYS A 13 9.474 -11.327 -0.702 1.00 0.00 N ATOM 182 CA CYS A 13 8.883 -9.997 -0.378 1.00 0.00 C ATOM 183 C CYS A 13 8.403 -9.947 1.081 1.00 0.00 C ATOM 184 O CYS A 13 8.537 -8.940 1.748 1.00 0.00 O ATOM 185 CB CYS A 13 7.737 -9.788 -1.349 1.00 0.00 C ATOM 186 SG CYS A 13 6.672 -8.359 -1.084 1.00 0.00 S ATOM 0 H CYS A 13 8.775 -12.030 -0.941 1.00 0.00 H new ATOM 0 HA CYS A 13 9.622 -9.203 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.156 -9.714 -2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.112 -10.681 -1.329 1.00 0.00 H new ATOM 191 N LEU A 14 7.848 -11.042 1.523 1.00 0.00 N ATOM 192 CA LEU A 14 7.328 -11.180 2.915 1.00 0.00 C ATOM 193 C LEU A 14 8.421 -10.964 3.962 1.00 0.00 C ATOM 194 O LEU A 14 8.188 -10.316 4.963 1.00 0.00 O ATOM 195 CB LEU A 14 6.702 -12.595 3.038 1.00 0.00 C ATOM 196 CG LEU A 14 6.176 -12.894 4.477 1.00 0.00 C ATOM 197 CD1 LEU A 14 5.026 -13.920 4.380 1.00 0.00 C ATOM 198 CD2 LEU A 14 7.288 -13.546 5.344 1.00 0.00 C ATOM 0 H LEU A 14 7.729 -11.880 0.953 1.00 0.00 H new ATOM 0 HA LEU A 14 6.579 -10.411 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.880 -12.688 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.446 -13.343 2.764 1.00 0.00 H new ATOM 0 HG LEU A 14 5.852 -11.955 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.648 -14.139 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.222 -13.509 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.395 -14.838 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.900 -13.746 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.606 -14.482 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.139 -12.868 5.414 1.00 0.00 H new ATOM 210 N LYS A 15 9.579 -11.513 3.701 1.00 0.00 N ATOM 211 CA LYS A 15 10.722 -11.400 4.613 1.00 0.00 C ATOM 212 C LYS A 15 11.093 -9.925 4.866 1.00 0.00 C ATOM 213 O LYS A 15 11.058 -9.520 6.007 1.00 0.00 O ATOM 214 CB LYS A 15 11.808 -12.237 3.934 1.00 0.00 C ATOM 215 CG LYS A 15 11.424 -13.733 4.002 1.00 0.00 C ATOM 216 CD LYS A 15 12.433 -14.556 3.171 1.00 0.00 C ATOM 217 CE LYS A 15 11.987 -16.028 3.122 1.00 0.00 C ATOM 218 NZ LYS A 15 10.671 -16.148 2.427 1.00 0.00 N ATOM 0 H LYS A 15 9.771 -12.052 2.857 1.00 0.00 H new ATOM 0 HA LYS A 15 10.531 -11.771 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.925 -11.927 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.768 -12.074 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.424 -14.074 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.414 -13.879 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.501 -14.153 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.427 -14.482 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.736 -16.625 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.909 -16.425 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.462 -17.151 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.924 -15.739 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.709 -15.637 1.522 1.00 0.00 H new ATOM 232 N PRO A 16 11.424 -9.150 3.855 1.00 0.00 N ATOM 233 CA PRO A 16 11.791 -7.716 4.040 1.00 0.00 C ATOM 234 C PRO A 16 10.589 -6.897 4.470 1.00 0.00 C ATOM 235 O PRO A 16 10.755 -6.024 5.296 1.00 0.00 O ATOM 236 CB PRO A 16 12.377 -7.313 2.684 1.00 0.00 C ATOM 237 CG PRO A 16 11.562 -8.181 1.696 1.00 0.00 C ATOM 238 CD PRO A 16 11.474 -9.544 2.416 1.00 0.00 C ATOM 0 HA PRO A 16 12.512 -7.542 4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.251 -6.248 2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.445 -7.524 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.574 -7.759 1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.060 -8.267 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.587 -10.103 2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.336 -10.174 2.198 1.00 0.00 H new ATOM 246 N CYS A 17 9.429 -7.166 3.929 1.00 0.00 N ATOM 247 CA CYS A 17 8.230 -6.397 4.324 1.00 0.00 C ATOM 248 C CYS A 17 8.060 -6.482 5.844 1.00 0.00 C ATOM 249 O CYS A 17 8.051 -5.482 6.536 1.00 0.00 O ATOM 250 CB CYS A 17 7.046 -7.006 3.607 1.00 0.00 C ATOM 251 SG CYS A 17 6.737 -6.514 1.897 1.00 0.00 S ATOM 0 H CYS A 17 9.268 -7.890 3.228 1.00 0.00 H new ATOM 0 HA CYS A 17 8.319 -5.345 4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.167 -8.089 3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.152 -6.776 4.186 1.00 0.00 H new ATOM 256 N LYS A 18 7.943 -7.704 6.295 1.00 0.00 N ATOM 257 CA LYS A 18 7.763 -7.989 7.742 1.00 0.00 C ATOM 258 C LYS A 18 8.914 -7.369 8.527 1.00 0.00 C ATOM 259 O LYS A 18 8.684 -6.626 9.461 1.00 0.00 O ATOM 260 CB LYS A 18 7.715 -9.519 7.917 1.00 0.00 C ATOM 261 CG LYS A 18 7.330 -9.871 9.365 1.00 0.00 C ATOM 262 CD LYS A 18 7.225 -11.405 9.492 1.00 0.00 C ATOM 263 CE LYS A 18 6.769 -11.779 10.914 1.00 0.00 C ATOM 264 NZ LYS A 18 5.406 -11.236 11.183 1.00 0.00 N ATOM 0 H LYS A 18 7.966 -8.534 5.702 1.00 0.00 H new ATOM 0 HA LYS A 18 6.837 -7.556 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.992 -9.950 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.686 -9.952 7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.077 -9.485 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.380 -9.405 9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.517 -11.792 8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.190 -11.864 9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.764 -12.863 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.475 -11.385 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.988 -11.733 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.473 -10.220 11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.805 -11.375 10.346 1.00 0.00 H new ATOM 278 N ASP A 19 10.101 -7.709 8.086 1.00 0.00 N ATOM 279 CA ASP A 19 11.369 -7.211 8.719 1.00 0.00 C ATOM 280 C ASP A 19 11.505 -5.687 8.628 1.00 0.00 C ATOM 281 O ASP A 19 12.280 -5.097 9.356 1.00 0.00 O ATOM 282 CB ASP A 19 12.587 -7.876 8.030 1.00 0.00 C ATOM 283 CG ASP A 19 12.620 -9.414 8.216 1.00 0.00 C ATOM 284 OD1 ASP A 19 11.742 -9.958 8.870 1.00 0.00 O ATOM 285 OD2 ASP A 19 13.556 -9.974 7.669 1.00 0.00 O ATOM 0 H ASP A 19 10.250 -8.329 7.290 1.00 0.00 H new ATOM 0 HA ASP A 19 11.334 -7.478 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.567 -7.644 6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.505 -7.447 8.432 1.00 0.00 H new ATOM 290 N ALA A 20 10.744 -5.101 7.739 1.00 0.00 N ATOM 291 CA ALA A 20 10.781 -3.610 7.562 1.00 0.00 C ATOM 292 C ALA A 20 9.606 -2.966 8.331 1.00 0.00 C ATOM 293 O ALA A 20 9.513 -1.755 8.401 1.00 0.00 O ATOM 294 CB ALA A 20 10.663 -3.266 6.067 1.00 0.00 C ATOM 0 H ALA A 20 10.094 -5.590 7.123 1.00 0.00 H new ATOM 0 HA ALA A 20 11.723 -3.225 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.690 -2.184 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.494 -3.716 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.722 -3.654 5.678 1.00 0.00 H new ATOM 300 N GLY A 21 8.749 -3.796 8.880 1.00 0.00 N ATOM 301 CA GLY A 21 7.574 -3.351 9.664 1.00 0.00 C ATOM 302 C GLY A 21 6.199 -3.650 9.066 1.00 0.00 C ATOM 303 O GLY A 21 5.302 -2.838 9.190 1.00 0.00 O ATOM 0 H GLY A 21 8.831 -4.810 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.626 -3.816 10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.653 -2.274 9.815 1.00 0.00 H new ATOM 307 N MET A 22 6.058 -4.789 8.437 1.00 0.00 N ATOM 308 CA MET A 22 4.774 -5.189 7.820 1.00 0.00 C ATOM 309 C MET A 22 4.407 -6.584 8.342 1.00 0.00 C ATOM 310 O MET A 22 4.964 -7.040 9.323 1.00 0.00 O ATOM 311 CB MET A 22 5.006 -5.178 6.337 1.00 0.00 C ATOM 312 CG MET A 22 5.506 -3.789 5.860 1.00 0.00 C ATOM 313 SD MET A 22 4.536 -2.324 6.304 1.00 0.00 S ATOM 314 CE MET A 22 3.823 -1.952 4.683 1.00 0.00 C ATOM 0 H MET A 22 6.807 -5.473 8.327 1.00 0.00 H new ATOM 0 HA MET A 22 3.947 -4.522 8.064 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.739 -5.941 6.075 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.081 -5.433 5.819 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.515 -3.649 6.247 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.583 -3.819 4.773 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.187 -1.070 4.759 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.624 -1.762 3.968 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.228 -2.800 4.344 1.00 0.00 H new ATOM 324 N ARG A 23 3.474 -7.212 7.672 1.00 0.00 N ATOM 325 CA ARG A 23 3.032 -8.570 8.064 1.00 0.00 C ATOM 326 C ARG A 23 3.442 -9.591 7.002 1.00 0.00 C ATOM 327 O ARG A 23 4.243 -10.458 7.299 1.00 0.00 O ATOM 328 CB ARG A 23 1.507 -8.619 8.245 1.00 0.00 C ATOM 329 CG ARG A 23 1.121 -7.823 9.506 1.00 0.00 C ATOM 330 CD ARG A 23 -0.342 -8.117 9.864 1.00 0.00 C ATOM 331 NE ARG A 23 -1.183 -7.761 8.683 1.00 0.00 N ATOM 332 CZ ARG A 23 -2.045 -8.594 8.156 1.00 0.00 C ATOM 333 NH1 ARG A 23 -2.552 -9.561 8.872 1.00 0.00 N ATOM 334 NH2 ARG A 23 -2.378 -8.424 6.908 1.00 0.00 N ATOM 0 H ARG A 23 2.996 -6.828 6.857 1.00 0.00 H new ATOM 0 HA ARG A 23 3.512 -8.815 9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.011 -8.200 7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.173 -9.652 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.772 -8.096 10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.257 -6.756 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.468 -9.169 10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.645 -7.539 10.737 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.082 -6.833 8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.277 -9.671 9.848 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.223 -10.206 8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.970 -7.659 6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.047 -9.056 6.468 1.00 0.00 H new ATOM 348 N PHE A 24 2.900 -9.476 5.811 1.00 0.00 N ATOM 349 CA PHE A 24 3.268 -10.451 4.730 1.00 0.00 C ATOM 350 C PHE A 24 3.793 -9.724 3.487 1.00 0.00 C ATOM 351 O PHE A 24 3.872 -8.509 3.447 1.00 0.00 O ATOM 352 CB PHE A 24 2.047 -11.299 4.312 1.00 0.00 C ATOM 353 CG PHE A 24 1.138 -11.588 5.523 1.00 0.00 C ATOM 354 CD1 PHE A 24 1.621 -12.290 6.614 1.00 0.00 C ATOM 355 CD2 PHE A 24 -0.170 -11.145 5.538 1.00 0.00 C ATOM 356 CE1 PHE A 24 0.808 -12.542 7.700 1.00 0.00 C ATOM 357 CE2 PHE A 24 -0.983 -11.397 6.623 1.00 0.00 C ATOM 358 CZ PHE A 24 -0.495 -12.096 7.705 1.00 0.00 C ATOM 0 H PHE A 24 2.227 -8.759 5.542 1.00 0.00 H new ATOM 0 HA PHE A 24 4.047 -11.096 5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.480 -10.773 3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.384 -12.238 3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.642 -12.643 6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.559 -10.597 4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.194 -13.090 8.547 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.004 -11.046 6.624 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.132 -12.294 8.554 1.00 0.00 H new ATOM 368 N GLY A 25 4.121 -10.537 2.513 1.00 0.00 N ATOM 369 CA GLY A 25 4.656 -10.097 1.219 1.00 0.00 C ATOM 370 C GLY A 25 3.936 -10.676 0.011 1.00 0.00 C ATOM 371 O GLY A 25 3.348 -11.739 0.072 1.00 0.00 O ATOM 0 H GLY A 25 4.026 -11.550 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.605 -9.009 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.710 -10.370 1.164 1.00 0.00 H new ATOM 375 N LYS A 26 4.019 -9.928 -1.057 1.00 0.00 N ATOM 376 CA LYS A 26 3.392 -10.304 -2.350 1.00 0.00 C ATOM 377 C LYS A 26 4.362 -9.801 -3.416 1.00 0.00 C ATOM 378 O LYS A 26 4.837 -8.690 -3.297 1.00 0.00 O ATOM 379 CB LYS A 26 2.040 -9.594 -2.508 1.00 0.00 C ATOM 380 CG LYS A 26 1.039 -10.039 -1.416 1.00 0.00 C ATOM 381 CD LYS A 26 -0.253 -9.188 -1.493 1.00 0.00 C ATOM 382 CE LYS A 26 -0.924 -9.290 -2.879 1.00 0.00 C ATOM 383 NZ LYS A 26 -1.269 -10.706 -3.192 1.00 0.00 N ATOM 0 H LYS A 26 4.516 -9.038 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 26 3.210 -11.376 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.185 -8.515 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.626 -9.810 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.796 -11.094 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.494 -9.934 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.952 -9.519 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.015 -8.146 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.825 -8.678 -2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.254 -8.896 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.852 -10.739 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.396 -11.250 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.800 -11.118 -2.398 1.00 0.00 H new ATOM 397 N CYS A 27 4.638 -10.587 -4.422 1.00 0.00 N ATOM 398 CA CYS A 27 5.583 -10.089 -5.470 1.00 0.00 C ATOM 399 C CYS A 27 4.663 -9.623 -6.593 1.00 0.00 C ATOM 400 O CYS A 27 3.714 -10.313 -6.918 1.00 0.00 O ATOM 401 CB CYS A 27 6.483 -11.236 -5.923 1.00 0.00 C ATOM 402 SG CYS A 27 7.916 -10.715 -6.892 1.00 0.00 S ATOM 0 H CYS A 27 4.264 -11.525 -4.565 1.00 0.00 H new ATOM 0 HA CYS A 27 6.244 -9.292 -5.129 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.831 -11.779 -5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.892 -11.934 -6.516 1.00 0.00 H new ATOM 407 N ILE A 28 4.961 -8.475 -7.157 1.00 0.00 N ATOM 408 CA ILE A 28 4.079 -7.959 -8.260 1.00 0.00 C ATOM 409 C ILE A 28 4.693 -7.884 -9.661 1.00 0.00 C ATOM 410 O ILE A 28 4.485 -8.757 -10.480 1.00 0.00 O ATOM 411 CB ILE A 28 3.568 -6.545 -7.798 1.00 0.00 C ATOM 412 CG1 ILE A 28 2.850 -6.622 -6.412 1.00 0.00 C ATOM 413 CG2 ILE A 28 2.625 -5.905 -8.853 1.00 0.00 C ATOM 414 CD1 ILE A 28 1.602 -7.534 -6.422 1.00 0.00 C ATOM 0 H ILE A 28 5.755 -7.884 -6.911 1.00 0.00 H new ATOM 0 HA ILE A 28 3.280 -8.688 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 28 4.447 -5.909 -7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.554 -6.989 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.556 -5.618 -6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.292 -4.929 -8.499 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.160 -5.786 -9.795 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.760 -6.550 -9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.150 -7.544 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.880 -7.155 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.894 -8.547 -6.698 1.00 0.00 H new ATOM 426 N ASN A 29 5.430 -6.835 -9.873 1.00 0.00 N ATOM 427 CA ASN A 29 6.109 -6.579 -11.183 1.00 0.00 C ATOM 428 C ASN A 29 7.625 -6.735 -11.066 1.00 0.00 C ATOM 429 O ASN A 29 8.376 -6.034 -11.717 1.00 0.00 O ATOM 430 CB ASN A 29 5.727 -5.150 -11.605 1.00 0.00 C ATOM 431 CG ASN A 29 6.082 -4.184 -10.455 1.00 0.00 C ATOM 432 OD1 ASN A 29 7.200 -4.140 -9.975 1.00 0.00 O ATOM 433 ND2 ASN A 29 5.155 -3.396 -9.985 1.00 0.00 N ATOM 0 H ASN A 29 5.599 -6.115 -9.171 1.00 0.00 H new ATOM 0 HA ASN A 29 5.788 -7.304 -11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.260 -4.869 -12.513 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.662 -5.094 -11.830 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.371 -2.752 -9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.214 -3.423 -10.379 1.00 0.00 H new ATOM 440 N GLY A 30 8.028 -7.656 -10.233 1.00 0.00 N ATOM 441 CA GLY A 30 9.486 -7.888 -10.038 1.00 0.00 C ATOM 442 C GLY A 30 9.870 -7.268 -8.695 1.00 0.00 C ATOM 443 O GLY A 30 10.858 -7.659 -8.111 1.00 0.00 O ATOM 0 H GLY A 30 7.413 -8.255 -9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.710 -8.955 -10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.059 -7.436 -10.848 1.00 0.00 H new ATOM 447 N LYS A 31 9.067 -6.322 -8.256 1.00 0.00 N ATOM 448 CA LYS A 31 9.301 -5.620 -6.970 1.00 0.00 C ATOM 449 C LYS A 31 8.353 -6.182 -5.908 1.00 0.00 C ATOM 450 O LYS A 31 7.412 -6.887 -6.219 1.00 0.00 O ATOM 451 CB LYS A 31 9.070 -4.104 -7.213 1.00 0.00 C ATOM 452 CG LYS A 31 9.211 -3.295 -5.891 1.00 0.00 C ATOM 453 CD LYS A 31 9.479 -1.806 -6.165 1.00 0.00 C ATOM 454 CE LYS A 31 10.929 -1.639 -6.666 1.00 0.00 C ATOM 455 NZ LYS A 31 11.240 -0.196 -6.839 1.00 0.00 N ATOM 0 H LYS A 31 8.238 -6.006 -8.759 1.00 0.00 H new ATOM 0 HA LYS A 31 10.318 -5.769 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.789 -3.737 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.077 -3.948 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.300 -3.399 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.025 -3.708 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.778 -1.428 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.325 -1.223 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.623 -2.087 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.059 -2.164 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.926 -0.079 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.368 0.322 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.644 0.180 -5.958 1.00 0.00 H new ATOM 469 N CYS A 32 8.639 -5.839 -4.679 1.00 0.00 N ATOM 470 CA CYS A 32 7.807 -6.316 -3.530 1.00 0.00 C ATOM 471 C CYS A 32 6.639 -5.404 -3.156 1.00 0.00 C ATOM 472 O CYS A 32 6.696 -4.200 -3.309 1.00 0.00 O ATOM 473 CB CYS A 32 8.696 -6.441 -2.290 1.00 0.00 C ATOM 474 SG CYS A 32 7.958 -6.857 -0.693 1.00 0.00 S ATOM 0 H CYS A 32 9.423 -5.241 -4.418 1.00 0.00 H new ATOM 0 HA CYS A 32 7.383 -7.265 -3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.451 -7.197 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 32 9.220 -5.493 -2.169 1.00 0.00 H new ATOM 479 N ASP A 33 5.615 -6.062 -2.672 1.00 0.00 N ATOM 480 CA ASP A 33 4.367 -5.407 -2.222 1.00 0.00 C ATOM 481 C ASP A 33 4.069 -6.033 -0.857 1.00 0.00 C ATOM 482 O ASP A 33 4.201 -7.232 -0.734 1.00 0.00 O ATOM 483 CB ASP A 33 3.279 -5.730 -3.199 1.00 0.00 C ATOM 484 CG ASP A 33 1.983 -5.001 -2.795 1.00 0.00 C ATOM 485 OD1 ASP A 33 2.008 -3.780 -2.793 1.00 0.00 O ATOM 486 OD2 ASP A 33 1.036 -5.715 -2.504 1.00 0.00 O ATOM 0 H ASP A 33 5.603 -7.077 -2.570 1.00 0.00 H new ATOM 0 HA ASP A 33 4.446 -4.322 -2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.578 -5.430 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.109 -6.806 -3.225 1.00 0.00 H new ATOM 491 N CYS A 34 3.675 -5.277 0.131 1.00 0.00 N ATOM 492 CA CYS A 34 3.394 -5.894 1.452 1.00 0.00 C ATOM 493 C CYS A 34 1.907 -5.922 1.778 1.00 0.00 C ATOM 494 O CYS A 34 1.116 -5.220 1.178 1.00 0.00 O ATOM 495 CB CYS A 34 4.138 -5.093 2.471 1.00 0.00 C ATOM 496 SG CYS A 34 5.865 -4.706 2.106 1.00 0.00 S ATOM 0 H CYS A 34 3.537 -4.268 0.079 1.00 0.00 H new ATOM 0 HA CYS A 34 3.717 -6.935 1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.604 -4.154 2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.104 -5.633 3.417 1.00 0.00 H new ATOM 501 N THR A 35 1.593 -6.756 2.737 1.00 0.00 N ATOM 502 CA THR A 35 0.193 -6.925 3.205 1.00 0.00 C ATOM 503 C THR A 35 0.168 -6.593 4.716 1.00 0.00 C ATOM 504 O THR A 35 -0.079 -7.466 5.525 1.00 0.00 O ATOM 505 CB THR A 35 -0.165 -8.369 2.904 1.00 0.00 C ATOM 506 OG1 THR A 35 -0.055 -8.503 1.492 1.00 0.00 O ATOM 507 CG2 THR A 35 -1.644 -8.692 3.204 1.00 0.00 C ATOM 0 H THR A 35 2.272 -7.341 3.225 1.00 0.00 H new ATOM 0 HA THR A 35 -0.531 -6.271 2.719 1.00 0.00 H new ATOM 0 HB THR A 35 0.478 -9.015 3.502 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.044 -9.450 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.843 -9.738 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.849 -8.511 4.259 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.286 -8.056 2.595 1.00 0.00 H new ATOM 515 N PRO A 36 0.427 -5.350 5.066 1.00 0.00 N ATOM 516 CA PRO A 36 0.562 -4.905 6.484 1.00 0.00 C ATOM 517 C PRO A 36 -0.749 -5.035 7.263 1.00 0.00 C ATOM 518 O PRO A 36 -1.761 -5.433 6.720 1.00 0.00 O ATOM 519 CB PRO A 36 1.054 -3.465 6.370 1.00 0.00 C ATOM 520 CG PRO A 36 0.378 -3.001 5.059 1.00 0.00 C ATOM 521 CD PRO A 36 0.611 -4.203 4.133 1.00 0.00 C ATOM 0 HA PRO A 36 1.253 -5.525 7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.748 -2.860 7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.141 -3.408 6.312 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.683 -2.794 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.831 -2.091 4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.102 -4.228 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.608 -4.191 3.692 1.00 0.00 H new ATOM 529 N LYS A 37 -0.641 -4.683 8.520 1.00 0.00 N ATOM 530 CA LYS A 37 -1.765 -4.709 9.518 1.00 0.00 C ATOM 531 C LYS A 37 -3.168 -4.493 8.906 1.00 0.00 C ATOM 532 O LYS A 37 -3.706 -3.403 8.882 1.00 0.00 O ATOM 533 CB LYS A 37 -1.450 -3.624 10.581 1.00 0.00 C ATOM 534 CG LYS A 37 -2.472 -3.693 11.747 1.00 0.00 C ATOM 535 CD LYS A 37 -2.110 -2.717 12.904 1.00 0.00 C ATOM 536 CE LYS A 37 -2.188 -1.233 12.472 1.00 0.00 C ATOM 537 NZ LYS A 37 -1.044 -0.864 11.590 1.00 0.00 N ATOM 0 H LYS A 37 0.238 -4.357 8.921 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.815 -5.707 9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.440 -3.766 10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.480 -2.636 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.467 -3.455 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.513 -4.712 12.133 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.787 -2.884 13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.103 -2.937 13.259 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.127 -1.054 11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.189 -0.595 13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.641 0.042 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.314 -1.603 11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.377 -0.773 10.609 1.00 0.00 H new HETATM 551 N NH2 A 38 -3.791 -5.520 8.395 1.00 1.00 N TER 554 NH2 A 38