USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=10 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 9 HIS : no HE2:sc= -0.776 K(o=-0.78,f=-4.1!) USER MOD Set 1.2: A 12 GLN : amide:sc=-0.00393 X(o=-0.78,f=-1.1) USER MOD Set 2.1: A 1 VAL N :NH3+ -109:sc= -0.0657 (180deg=-0.235) USER MOD Set 2.2: A 22 MET CE :methyl -163:sc= -0.594 (180deg=-1.36) USER MOD Single : A 4 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.34) 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 180:sc= 0.0153 USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= 0.0439 (180deg=-0.378) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.062 (180deg=-0.383) USER MOD Single : A 26 LYS NZ :NH3+ -128:sc= 0.18 (180deg=-0.352) USER MOD Single : A 29 ASN : amide:sc= -0.633 K(o=-0.63,f=-2.5!) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 0.297 (180deg=0.0258) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= 0.154 (180deg=-0.665) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.253 0.081 2.024 1.00 0.00 N ATOM 2 CA VAL A 1 2.371 -1.139 1.172 1.00 0.00 C ATOM 3 C VAL A 1 3.804 -1.241 0.613 1.00 0.00 C ATOM 4 O VAL A 1 4.525 -0.264 0.577 1.00 0.00 O ATOM 5 CB VAL A 1 1.319 -1.046 0.014 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.613 0.161 -0.908 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.289 -2.342 -0.826 1.00 0.00 C ATOM 0 H1 VAL A 1 2.174 -0.199 3.022 1.00 0.00 H new ATOM 0 H2 VAL A 1 3.096 0.676 1.897 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.406 0.617 1.747 1.00 0.00 H new ATOM 0 HA VAL A 1 2.173 -2.036 1.759 1.00 0.00 H new ATOM 0 HB VAL A 1 0.343 -0.909 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.868 0.202 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.573 1.082 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.605 0.051 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.549 -2.244 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.272 -2.514 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.025 -3.184 -0.186 1.00 0.00 H new ATOM 19 N GLY A 2 4.138 -2.435 0.186 1.00 0.00 N ATOM 20 CA GLY A 2 5.476 -2.781 -0.395 1.00 0.00 C ATOM 21 C GLY A 2 6.701 -2.193 0.299 1.00 0.00 C ATOM 22 O GLY A 2 6.597 -1.558 1.332 1.00 0.00 O ATOM 0 H GLY A 2 3.498 -3.229 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.575 -3.866 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.488 -2.458 -1.436 1.00 0.00 H new ATOM 26 N ILE A 3 7.846 -2.438 -0.290 1.00 0.00 N ATOM 27 CA ILE A 3 9.108 -1.924 0.277 1.00 0.00 C ATOM 28 C ILE A 3 9.780 -1.107 -0.833 1.00 0.00 C ATOM 29 O ILE A 3 9.341 -0.021 -1.156 1.00 0.00 O ATOM 30 CB ILE A 3 9.926 -3.192 0.762 1.00 0.00 C ATOM 31 CG1 ILE A 3 9.952 -4.318 -0.323 1.00 0.00 C ATOM 32 CG2 ILE A 3 9.197 -3.794 1.978 1.00 0.00 C ATOM 33 CD1 ILE A 3 10.831 -5.490 0.136 1.00 0.00 C ATOM 0 H ILE A 3 7.950 -2.979 -1.148 1.00 0.00 H new ATOM 0 HA ILE A 3 9.001 -1.264 1.138 1.00 0.00 H new ATOM 0 HB ILE A 3 10.943 -2.867 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.938 -4.670 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.333 -3.917 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 3 9.741 -4.670 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.146 -3.052 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.187 -4.086 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.836 -6.263 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 3 11.849 -5.138 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.433 -5.902 1.063 1.00 0.00 H new ATOM 45 N ASN A 4 10.817 -1.679 -1.372 1.00 0.00 N ATOM 46 CA ASN A 4 11.650 -1.104 -2.463 1.00 0.00 C ATOM 47 C ASN A 4 12.723 -2.153 -2.855 1.00 0.00 C ATOM 48 O ASN A 4 13.844 -1.798 -3.168 1.00 0.00 O ATOM 49 CB ASN A 4 12.273 0.128 -1.891 1.00 0.00 C ATOM 50 CG ASN A 4 13.039 0.933 -2.950 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.479 1.400 -3.922 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.322 1.117 -2.796 1.00 0.00 N ATOM 0 H ASN A 4 11.144 -2.598 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 4 11.080 -0.857 -3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.498 0.755 -1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.953 -0.150 -1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.848 1.650 -3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 4 14.799 0.728 -1.983 1.00 0.00 H new ATOM 59 N VAL A 5 12.361 -3.413 -2.831 1.00 0.00 N ATOM 60 CA VAL A 5 13.325 -4.502 -3.187 1.00 0.00 C ATOM 61 C VAL A 5 12.684 -5.365 -4.269 1.00 0.00 C ATOM 62 O VAL A 5 11.495 -5.268 -4.507 1.00 0.00 O ATOM 63 CB VAL A 5 13.624 -5.331 -1.900 1.00 0.00 C ATOM 64 CG1 VAL A 5 14.690 -6.422 -2.156 1.00 0.00 C ATOM 65 CG2 VAL A 5 14.135 -4.391 -0.783 1.00 0.00 C ATOM 0 H VAL A 5 11.428 -3.737 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 5 14.265 -4.103 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 5 12.696 -5.817 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.870 -6.977 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.334 -7.104 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.618 -5.954 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.343 -4.973 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.048 -3.895 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.375 -3.642 -0.562 1.00 0.00 H new ATOM 75 N LYS A 6 13.503 -6.184 -4.876 1.00 0.00 N ATOM 76 CA LYS A 6 13.059 -7.093 -5.949 1.00 0.00 C ATOM 77 C LYS A 6 12.856 -8.495 -5.363 1.00 0.00 C ATOM 78 O LYS A 6 13.642 -8.973 -4.568 1.00 0.00 O ATOM 79 CB LYS A 6 14.153 -7.052 -7.007 1.00 0.00 C ATOM 80 CG LYS A 6 13.974 -8.127 -8.089 1.00 0.00 C ATOM 81 CD LYS A 6 15.257 -8.163 -8.928 1.00 0.00 C ATOM 82 CE LYS A 6 15.360 -6.924 -9.842 1.00 0.00 C ATOM 83 NZ LYS A 6 16.598 -7.008 -10.669 1.00 0.00 N ATOM 0 H LYS A 6 14.496 -6.254 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 6 12.107 -6.802 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.162 -6.068 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.122 -7.184 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.787 -9.100 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.113 -7.898 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.124 -8.206 -8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.273 -9.068 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.484 -6.863 -10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.375 -6.016 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.663 -6.171 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.430 -7.046 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.566 -7.866 -11.256 1.00 0.00 H new ATOM 97 N CYS A 7 11.782 -9.092 -5.801 1.00 0.00 N ATOM 98 CA CYS A 7 11.387 -10.463 -5.365 1.00 0.00 C ATOM 99 C CYS A 7 11.235 -11.402 -6.550 1.00 0.00 C ATOM 100 O CYS A 7 11.141 -11.002 -7.694 1.00 0.00 O ATOM 101 CB CYS A 7 10.066 -10.375 -4.629 1.00 0.00 C ATOM 102 SG CYS A 7 8.826 -9.339 -5.443 1.00 0.00 S ATOM 0 H CYS A 7 11.137 -8.669 -6.469 1.00 0.00 H new ATOM 0 HA CYS A 7 12.169 -10.860 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 7 9.662 -11.380 -4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.247 -9.985 -3.627 1.00 0.00 H new ATOM 107 N LYS A 8 11.217 -12.646 -6.165 1.00 0.00 N ATOM 108 CA LYS A 8 11.070 -13.793 -7.100 1.00 0.00 C ATOM 109 C LYS A 8 9.726 -14.431 -6.703 1.00 0.00 C ATOM 110 O LYS A 8 8.951 -14.829 -7.551 1.00 0.00 O ATOM 111 CB LYS A 8 12.219 -14.801 -6.884 1.00 0.00 C ATOM 112 CG LYS A 8 13.646 -14.167 -6.904 1.00 0.00 C ATOM 113 CD LYS A 8 14.160 -13.765 -8.319 1.00 0.00 C ATOM 114 CE LYS A 8 13.531 -12.459 -8.838 1.00 0.00 C ATOM 115 NZ LYS A 8 14.216 -12.036 -10.092 1.00 0.00 N ATOM 0 H LYS A 8 11.303 -12.926 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 8 11.100 -13.491 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.071 -15.303 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.164 -15.567 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.644 -13.282 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.349 -14.874 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.244 -13.653 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.943 -14.570 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.467 -12.605 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.617 -11.677 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.789 -11.154 -10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.226 -11.880 -9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.111 -12.779 -10.812 1.00 0.00 H new ATOM 129 N HIS A 9 9.512 -14.502 -5.409 1.00 0.00 N ATOM 130 CA HIS A 9 8.262 -15.092 -4.837 1.00 0.00 C ATOM 131 C HIS A 9 7.597 -14.101 -3.879 1.00 0.00 C ATOM 132 O HIS A 9 8.123 -13.043 -3.592 1.00 0.00 O ATOM 133 CB HIS A 9 8.614 -16.377 -4.071 1.00 0.00 C ATOM 134 CG HIS A 9 9.532 -17.240 -4.935 1.00 0.00 C ATOM 135 ND1 HIS A 9 10.819 -17.139 -4.980 1.00 0.00 N ATOM 136 CD2 HIS A 9 9.237 -18.254 -5.820 1.00 0.00 C ATOM 137 CE1 HIS A 9 11.295 -18.007 -5.814 1.00 0.00 C ATOM 138 NE2 HIS A 9 10.344 -18.725 -6.361 1.00 0.00 N ATOM 0 H HIS A 9 10.172 -14.165 -4.708 1.00 0.00 H new ATOM 0 HA HIS A 9 7.572 -15.317 -5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.106 -16.131 -3.130 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.706 -16.927 -3.822 1.00 0.00 H new ATOM 0 HD1 HIS A 9 11.376 -16.476 -4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.242 -18.612 -6.039 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.346 -18.125 -6.032 1.00 0.00 H new ATOM 146 N SER A 10 6.445 -14.508 -3.412 1.00 0.00 N ATOM 147 CA SER A 10 5.647 -13.686 -2.461 1.00 0.00 C ATOM 148 C SER A 10 6.043 -14.081 -1.017 1.00 0.00 C ATOM 149 O SER A 10 5.291 -13.917 -0.075 1.00 0.00 O ATOM 150 CB SER A 10 4.151 -13.963 -2.723 1.00 0.00 C ATOM 151 OG SER A 10 4.011 -15.369 -2.569 1.00 0.00 O ATOM 0 H SER A 10 6.016 -15.400 -3.659 1.00 0.00 H new ATOM 0 HA SER A 10 5.838 -12.621 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.519 -13.423 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.858 -13.643 -3.723 1.00 0.00 H new ATOM 0 HG SER A 10 3.077 -15.623 -2.720 1.00 0.00 H new ATOM 157 N GLY A 11 7.248 -14.592 -0.927 1.00 0.00 N ATOM 158 CA GLY A 11 7.876 -15.052 0.347 1.00 0.00 C ATOM 159 C GLY A 11 9.159 -14.235 0.492 1.00 0.00 C ATOM 160 O GLY A 11 9.482 -13.747 1.558 1.00 0.00 O ATOM 0 H GLY A 11 7.854 -14.714 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.209 -14.888 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.093 -16.120 0.314 1.00 0.00 H new ATOM 164 N GLN A 12 9.848 -14.109 -0.620 1.00 0.00 N ATOM 165 CA GLN A 12 11.120 -13.351 -0.709 1.00 0.00 C ATOM 166 C GLN A 12 10.828 -11.834 -0.671 1.00 0.00 C ATOM 167 O GLN A 12 11.705 -11.006 -0.826 1.00 0.00 O ATOM 168 CB GLN A 12 11.758 -13.798 -2.012 1.00 0.00 C ATOM 169 CG GLN A 12 12.956 -14.691 -1.689 1.00 0.00 C ATOM 170 CD GLN A 12 13.727 -14.963 -2.971 1.00 0.00 C ATOM 171 OE1 GLN A 12 13.282 -15.663 -3.859 1.00 0.00 O ATOM 172 NE2 GLN A 12 14.898 -14.409 -3.097 1.00 0.00 N ATOM 0 H GLN A 12 9.557 -14.524 -1.505 1.00 0.00 H new ATOM 0 HA GLN A 12 11.795 -13.541 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.035 -14.341 -2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.077 -12.933 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.601 -14.206 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.619 -15.628 -1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.268 -13.822 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.446 -14.562 -3.944 1.00 0.00 H new ATOM 181 N CYS A 13 9.569 -11.557 -0.459 1.00 0.00 N ATOM 182 CA CYS A 13 8.998 -10.189 -0.367 1.00 0.00 C ATOM 183 C CYS A 13 8.500 -10.024 1.075 1.00 0.00 C ATOM 184 O CYS A 13 8.617 -8.971 1.671 1.00 0.00 O ATOM 185 CB CYS A 13 7.865 -10.105 -1.372 1.00 0.00 C ATOM 186 SG CYS A 13 6.797 -8.654 -1.292 1.00 0.00 S ATOM 0 H CYS A 13 8.866 -12.286 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 13 9.714 -9.399 -0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.296 -10.152 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.241 -10.991 -1.252 1.00 0.00 H new ATOM 191 N LEU A 14 7.950 -11.097 1.582 1.00 0.00 N ATOM 192 CA LEU A 14 7.410 -11.155 2.964 1.00 0.00 C ATOM 193 C LEU A 14 8.525 -10.953 3.990 1.00 0.00 C ATOM 194 O LEU A 14 8.307 -10.283 4.981 1.00 0.00 O ATOM 195 CB LEU A 14 6.719 -12.534 3.142 1.00 0.00 C ATOM 196 CG LEU A 14 6.056 -12.667 4.547 1.00 0.00 C ATOM 197 CD1 LEU A 14 4.871 -13.651 4.439 1.00 0.00 C ATOM 198 CD2 LEU A 14 7.041 -13.269 5.580 1.00 0.00 C ATOM 0 H LEU A 14 7.852 -11.971 1.066 1.00 0.00 H new ATOM 0 HA LEU A 14 6.687 -10.355 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.963 -12.665 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.453 -13.329 3.009 1.00 0.00 H new ATOM 0 HG LEU A 14 5.746 -11.673 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.395 -13.756 5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.146 -13.269 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.235 -14.623 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.548 -13.349 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.354 -14.259 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.915 -12.623 5.669 1.00 0.00 H new ATOM 210 N LYS A 15 9.679 -11.527 3.729 1.00 0.00 N ATOM 211 CA LYS A 15 10.826 -11.402 4.656 1.00 0.00 C ATOM 212 C LYS A 15 11.132 -9.913 4.901 1.00 0.00 C ATOM 213 O LYS A 15 11.030 -9.475 6.027 1.00 0.00 O ATOM 214 CB LYS A 15 12.027 -12.143 4.017 1.00 0.00 C ATOM 215 CG LYS A 15 12.301 -13.552 4.626 1.00 0.00 C ATOM 216 CD LYS A 15 11.408 -14.671 4.020 1.00 0.00 C ATOM 217 CE LYS A 15 9.962 -14.623 4.534 1.00 0.00 C ATOM 218 NZ LYS A 15 9.162 -15.700 3.885 1.00 0.00 N ATOM 0 H LYS A 15 9.866 -12.084 2.895 1.00 0.00 H new ATOM 0 HA LYS A 15 10.606 -11.848 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.847 -12.250 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.921 -11.530 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.349 -13.809 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.139 -13.512 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.406 -14.579 2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.841 -15.643 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.946 -14.747 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.521 -13.650 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.378 -15.975 4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.780 -15.353 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.770 -16.525 3.709 1.00 0.00 H new ATOM 232 N PRO A 16 11.481 -9.165 3.877 1.00 0.00 N ATOM 233 CA PRO A 16 11.817 -7.724 4.032 1.00 0.00 C ATOM 234 C PRO A 16 10.586 -6.927 4.437 1.00 0.00 C ATOM 235 O PRO A 16 10.715 -6.008 5.219 1.00 0.00 O ATOM 236 CB PRO A 16 12.411 -7.341 2.671 1.00 0.00 C ATOM 237 CG PRO A 16 11.661 -8.275 1.691 1.00 0.00 C ATOM 238 CD PRO A 16 11.580 -9.607 2.450 1.00 0.00 C ATOM 0 HA PRO A 16 12.529 -7.510 4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.241 -6.290 2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.488 -7.504 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.670 -7.890 1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.199 -8.383 0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.713 -10.194 2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.461 -10.226 2.278 1.00 0.00 H new ATOM 246 N CYS A 17 9.436 -7.278 3.914 1.00 0.00 N ATOM 247 CA CYS A 17 8.209 -6.544 4.278 1.00 0.00 C ATOM 248 C CYS A 17 8.020 -6.545 5.796 1.00 0.00 C ATOM 249 O CYS A 17 8.079 -5.502 6.421 1.00 0.00 O ATOM 250 CB CYS A 17 7.042 -7.223 3.588 1.00 0.00 C ATOM 251 SG CYS A 17 6.683 -6.753 1.881 1.00 0.00 S ATOM 0 H CYS A 17 9.306 -8.043 3.252 1.00 0.00 H new ATOM 0 HA CYS A 17 8.277 -5.504 3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.220 -8.298 3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.147 -7.037 4.182 1.00 0.00 H new ATOM 256 N LYS A 18 7.811 -7.719 6.345 1.00 0.00 N ATOM 257 CA LYS A 18 7.612 -7.810 7.809 1.00 0.00 C ATOM 258 C LYS A 18 8.849 -7.269 8.522 1.00 0.00 C ATOM 259 O LYS A 18 8.682 -6.496 9.445 1.00 0.00 O ATOM 260 CB LYS A 18 7.285 -9.308 8.160 1.00 0.00 C ATOM 261 CG LYS A 18 8.449 -10.308 7.979 1.00 0.00 C ATOM 262 CD LYS A 18 9.239 -10.528 9.294 1.00 0.00 C ATOM 263 CE LYS A 18 8.375 -11.225 10.370 1.00 0.00 C ATOM 264 NZ LYS A 18 7.900 -12.550 9.879 1.00 0.00 N ATOM 0 H LYS A 18 7.772 -8.605 5.840 1.00 0.00 H new ATOM 0 HA LYS A 18 6.775 -7.200 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.948 -9.354 9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.451 -9.634 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.055 -11.262 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.125 -9.940 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.124 -11.131 9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.588 -9.568 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.956 -11.356 11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.521 -10.596 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.545 -13.110 10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.135 -12.410 9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.688 -13.055 9.426 1.00 0.00 H new ATOM 278 N ASP A 19 10.017 -7.676 8.066 1.00 0.00 N ATOM 279 CA ASP A 19 11.321 -7.215 8.673 1.00 0.00 C ATOM 280 C ASP A 19 11.462 -5.688 8.625 1.00 0.00 C ATOM 281 O ASP A 19 12.207 -5.120 9.400 1.00 0.00 O ATOM 282 CB ASP A 19 12.540 -7.813 7.920 1.00 0.00 C ATOM 283 CG ASP A 19 12.756 -9.324 8.155 1.00 0.00 C ATOM 284 OD1 ASP A 19 12.173 -9.864 9.080 1.00 0.00 O ATOM 285 OD2 ASP A 19 13.523 -9.865 7.374 1.00 0.00 O ATOM 0 H ASP A 19 10.125 -8.321 7.283 1.00 0.00 H new ATOM 0 HA ASP A 19 11.306 -7.558 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.413 -7.638 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.439 -7.278 8.226 1.00 0.00 H new ATOM 290 N ALA A 20 10.744 -5.075 7.717 1.00 0.00 N ATOM 291 CA ALA A 20 10.804 -3.581 7.583 1.00 0.00 C ATOM 292 C ALA A 20 9.618 -2.921 8.317 1.00 0.00 C ATOM 293 O ALA A 20 9.567 -1.710 8.421 1.00 0.00 O ATOM 294 CB ALA A 20 10.759 -3.210 6.093 1.00 0.00 C ATOM 0 H ALA A 20 10.118 -5.542 7.061 1.00 0.00 H new ATOM 0 HA ALA A 20 11.730 -3.221 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.802 -2.126 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.610 -3.659 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.833 -3.581 5.653 1.00 0.00 H new ATOM 300 N GLY A 21 8.710 -3.735 8.799 1.00 0.00 N ATOM 301 CA GLY A 21 7.520 -3.268 9.542 1.00 0.00 C ATOM 302 C GLY A 21 6.164 -3.550 8.901 1.00 0.00 C ATOM 303 O GLY A 21 5.292 -2.703 8.939 1.00 0.00 O ATOM 0 H GLY A 21 8.758 -4.749 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.533 -3.728 10.530 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.610 -2.192 9.690 1.00 0.00 H new ATOM 307 N MET A 22 6.014 -4.718 8.333 1.00 0.00 N ATOM 308 CA MET A 22 4.741 -5.106 7.681 1.00 0.00 C ATOM 309 C MET A 22 4.292 -6.460 8.251 1.00 0.00 C ATOM 310 O MET A 22 4.802 -6.900 9.265 1.00 0.00 O ATOM 311 CB MET A 22 5.032 -5.178 6.216 1.00 0.00 C ATOM 312 CG MET A 22 5.584 -3.831 5.675 1.00 0.00 C ATOM 313 SD MET A 22 4.612 -2.323 5.925 1.00 0.00 S ATOM 314 CE MET A 22 4.041 -2.048 4.229 1.00 0.00 C ATOM 0 H MET A 22 6.742 -5.432 8.296 1.00 0.00 H new ATOM 0 HA MET A 22 3.933 -4.397 7.860 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.756 -5.971 6.027 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.122 -5.442 5.676 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.563 -3.671 6.127 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.743 -3.947 4.603 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.688 -1.022 4.126 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.864 -2.220 3.536 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.227 -2.736 4.003 1.00 0.00 H new ATOM 324 N ARG A 23 3.346 -7.075 7.584 1.00 0.00 N ATOM 325 CA ARG A 23 2.831 -8.394 8.023 1.00 0.00 C ATOM 326 C ARG A 23 3.251 -9.467 7.018 1.00 0.00 C ATOM 327 O ARG A 23 4.002 -10.355 7.373 1.00 0.00 O ATOM 328 CB ARG A 23 1.292 -8.415 8.119 1.00 0.00 C ATOM 329 CG ARG A 23 0.770 -7.476 9.224 1.00 0.00 C ATOM 330 CD ARG A 23 -0.655 -7.930 9.618 1.00 0.00 C ATOM 331 NE ARG A 23 -1.529 -7.975 8.399 1.00 0.00 N ATOM 332 CZ ARG A 23 -2.739 -7.473 8.390 1.00 0.00 C ATOM 333 NH1 ARG A 23 -3.413 -7.356 9.501 1.00 0.00 N ATOM 334 NH2 ARG A 23 -3.243 -7.101 7.247 1.00 0.00 N ATOM 0 H ARG A 23 2.907 -6.706 6.741 1.00 0.00 H new ATOM 0 HA ARG A 23 3.248 -8.587 9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.865 -8.120 7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.955 -9.432 8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.431 -7.506 10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.755 -6.445 8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.617 -8.914 10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.075 -7.243 10.353 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.169 -8.411 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.998 -7.656 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.355 -6.964 9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.698 -7.204 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.183 -6.707 7.208 1.00 0.00 H new ATOM 348 N PHE A 24 2.765 -9.365 5.800 1.00 0.00 N ATOM 349 CA PHE A 24 3.134 -10.383 4.763 1.00 0.00 C ATOM 350 C PHE A 24 3.718 -9.708 3.516 1.00 0.00 C ATOM 351 O PHE A 24 3.822 -8.496 3.440 1.00 0.00 O ATOM 352 CB PHE A 24 1.897 -11.206 4.347 1.00 0.00 C ATOM 353 CG PHE A 24 0.953 -11.393 5.554 1.00 0.00 C ATOM 354 CD1 PHE A 24 1.357 -12.139 6.648 1.00 0.00 C ATOM 355 CD2 PHE A 24 -0.300 -10.811 5.571 1.00 0.00 C ATOM 356 CE1 PHE A 24 0.524 -12.298 7.735 1.00 0.00 C ATOM 357 CE2 PHE A 24 -1.135 -10.969 6.657 1.00 0.00 C ATOM 358 CZ PHE A 24 -0.723 -11.713 7.740 1.00 0.00 C ATOM 0 H PHE A 24 2.135 -8.628 5.483 1.00 0.00 H new ATOM 0 HA PHE A 24 3.884 -11.041 5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.370 -10.700 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.209 -12.178 3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.333 -12.601 6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.629 -10.226 4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.849 -12.882 8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.112 -10.509 6.658 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.376 -11.838 8.591 1.00 0.00 H new ATOM 368 N GLY A 25 4.058 -10.560 2.580 1.00 0.00 N ATOM 369 CA GLY A 25 4.650 -10.185 1.289 1.00 0.00 C ATOM 370 C GLY A 25 3.894 -10.697 0.067 1.00 0.00 C ATOM 371 O GLY A 25 3.199 -11.694 0.132 1.00 0.00 O ATOM 0 H GLY A 25 3.933 -11.567 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.708 -9.098 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.672 -10.561 1.251 1.00 0.00 H new ATOM 375 N LYS A 26 4.063 -9.981 -1.013 1.00 0.00 N ATOM 376 CA LYS A 26 3.410 -10.331 -2.298 1.00 0.00 C ATOM 377 C LYS A 26 4.339 -9.773 -3.372 1.00 0.00 C ATOM 378 O LYS A 26 4.767 -8.644 -3.247 1.00 0.00 O ATOM 379 CB LYS A 26 2.016 -9.659 -2.354 1.00 0.00 C ATOM 380 CG LYS A 26 1.321 -9.968 -3.700 1.00 0.00 C ATOM 381 CD LYS A 26 0.998 -11.484 -3.816 1.00 0.00 C ATOM 382 CE LYS A 26 1.504 -12.024 -5.162 1.00 0.00 C ATOM 383 NZ LYS A 26 0.840 -11.315 -6.293 1.00 0.00 N ATOM 0 H LYS A 26 4.645 -9.144 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 26 3.256 -11.402 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.400 -10.017 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.120 -8.581 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.402 -9.388 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.965 -9.664 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.467 -12.028 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.077 -11.643 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.584 -11.896 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.305 -13.094 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.435 -12.012 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.082 -10.706 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.539 -10.732 -6.796 1.00 0.00 H new ATOM 397 N CYS A 27 4.632 -10.529 -4.396 1.00 0.00 N ATOM 398 CA CYS A 27 5.541 -9.976 -5.448 1.00 0.00 C ATOM 399 C CYS A 27 4.597 -9.519 -6.557 1.00 0.00 C ATOM 400 O CYS A 27 3.634 -10.203 -6.853 1.00 0.00 O ATOM 401 CB CYS A 27 6.483 -11.085 -5.920 1.00 0.00 C ATOM 402 SG CYS A 27 7.933 -10.506 -6.830 1.00 0.00 S ATOM 0 H CYS A 27 4.294 -11.479 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 27 6.171 -9.155 -5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.818 -11.652 -5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.924 -11.773 -6.554 1.00 0.00 H new ATOM 407 N ILE A 28 4.897 -8.383 -7.139 1.00 0.00 N ATOM 408 CA ILE A 28 4.006 -7.858 -8.229 1.00 0.00 C ATOM 409 C ILE A 28 4.612 -7.759 -9.630 1.00 0.00 C ATOM 410 O ILE A 28 4.378 -8.601 -10.475 1.00 0.00 O ATOM 411 CB ILE A 28 3.491 -6.459 -7.733 1.00 0.00 C ATOM 412 CG1 ILE A 28 2.755 -6.578 -6.360 1.00 0.00 C ATOM 413 CG2 ILE A 28 2.571 -5.772 -8.775 1.00 0.00 C ATOM 414 CD1 ILE A 28 1.491 -7.463 -6.422 1.00 0.00 C ATOM 0 H ILE A 28 5.705 -7.803 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 28 3.210 -8.587 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 28 4.373 -5.832 -7.603 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.443 -6.989 -5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.477 -5.582 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.240 -4.808 -8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.122 -5.621 -9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.704 -6.404 -8.967 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.027 -7.504 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.786 -7.040 -7.138 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.767 -8.470 -6.736 1.00 0.00 H new ATOM 426 N ASN A 29 5.372 -6.721 -9.811 1.00 0.00 N ATOM 427 CA ASN A 29 6.050 -6.439 -11.115 1.00 0.00 C ATOM 428 C ASN A 29 7.563 -6.635 -11.013 1.00 0.00 C ATOM 429 O ASN A 29 8.327 -5.928 -11.644 1.00 0.00 O ATOM 430 CB ASN A 29 5.694 -4.989 -11.489 1.00 0.00 C ATOM 431 CG ASN A 29 6.079 -4.062 -10.316 1.00 0.00 C ATOM 432 OD1 ASN A 29 7.210 -4.024 -9.870 1.00 0.00 O ATOM 433 ND2 ASN A 29 5.160 -3.301 -9.787 1.00 0.00 N ATOM 0 H ASN A 29 5.561 -6.028 -9.086 1.00 0.00 H new ATOM 0 HA ASN A 29 5.712 -7.132 -11.885 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.224 -4.692 -12.394 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.628 -4.905 -11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.394 -2.684 -9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.208 -3.323 -10.151 1.00 0.00 H new ATOM 440 N GLY A 30 7.951 -7.595 -10.217 1.00 0.00 N ATOM 441 CA GLY A 30 9.405 -7.867 -10.040 1.00 0.00 C ATOM 442 C GLY A 30 9.825 -7.256 -8.705 1.00 0.00 C ATOM 443 O GLY A 30 10.813 -7.666 -8.130 1.00 0.00 O ATOM 0 H GLY A 30 7.326 -8.200 -9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.599 -8.940 -10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.979 -7.433 -10.858 1.00 0.00 H new ATOM 447 N LYS A 31 9.053 -6.291 -8.257 1.00 0.00 N ATOM 448 CA LYS A 31 9.323 -5.592 -6.979 1.00 0.00 C ATOM 449 C LYS A 31 8.398 -6.188 -5.915 1.00 0.00 C ATOM 450 O LYS A 31 7.450 -6.880 -6.234 1.00 0.00 O ATOM 451 CB LYS A 31 9.043 -4.084 -7.183 1.00 0.00 C ATOM 452 CG LYS A 31 9.525 -3.248 -5.964 1.00 0.00 C ATOM 453 CD LYS A 31 9.215 -1.744 -6.166 1.00 0.00 C ATOM 454 CE LYS A 31 7.691 -1.481 -6.169 1.00 0.00 C ATOM 455 NZ LYS A 31 7.083 -1.915 -4.877 1.00 0.00 N ATOM 0 H LYS A 31 8.224 -5.957 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 31 10.358 -5.713 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.546 -3.738 -8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.975 -3.928 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.037 -3.605 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.597 -3.387 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.685 -1.164 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.647 -1.405 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.499 -0.420 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.225 -2.018 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.129 -1.510 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.022 -2.953 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.674 -1.585 -4.087 1.00 0.00 H new ATOM 469 N CYS A 32 8.706 -5.890 -4.681 1.00 0.00 N ATOM 470 CA CYS A 32 7.883 -6.415 -3.549 1.00 0.00 C ATOM 471 C CYS A 32 6.730 -5.492 -3.155 1.00 0.00 C ATOM 472 O CYS A 32 6.790 -4.286 -3.306 1.00 0.00 O ATOM 473 CB CYS A 32 8.766 -6.593 -2.314 1.00 0.00 C ATOM 474 SG CYS A 32 8.001 -7.124 -0.765 1.00 0.00 S ATOM 0 H CYS A 32 9.494 -5.304 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 32 7.462 -7.359 -3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.541 -7.317 -2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 32 9.266 -5.643 -2.126 1.00 0.00 H new ATOM 479 N ASP A 33 5.713 -6.142 -2.651 1.00 0.00 N ATOM 480 CA ASP A 33 4.476 -5.477 -2.183 1.00 0.00 C ATOM 481 C ASP A 33 4.212 -6.127 -0.823 1.00 0.00 C ATOM 482 O ASP A 33 4.512 -7.290 -0.650 1.00 0.00 O ATOM 483 CB ASP A 33 3.375 -5.788 -3.172 1.00 0.00 C ATOM 484 CG ASP A 33 2.086 -5.018 -2.835 1.00 0.00 C ATOM 485 OD1 ASP A 33 1.490 -5.357 -1.824 1.00 0.00 O ATOM 486 OD2 ASP A 33 1.769 -4.130 -3.609 1.00 0.00 O ATOM 0 H ASP A 33 5.698 -7.156 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 33 4.541 -4.392 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.703 -5.528 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.173 -6.859 -3.169 1.00 0.00 H new ATOM 491 N CYS A 34 3.662 -5.405 0.111 1.00 0.00 N ATOM 492 CA CYS A 34 3.391 -5.993 1.437 1.00 0.00 C ATOM 493 C CYS A 34 1.899 -5.986 1.733 1.00 0.00 C ATOM 494 O CYS A 34 1.143 -5.274 1.101 1.00 0.00 O ATOM 495 CB CYS A 34 4.148 -5.165 2.417 1.00 0.00 C ATOM 496 SG CYS A 34 5.905 -4.901 2.082 1.00 0.00 S ATOM 0 H CYS A 34 3.389 -4.428 0.006 1.00 0.00 H new ATOM 0 HA CYS A 34 3.705 -7.036 1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.665 -4.190 2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.056 -5.632 3.398 1.00 0.00 H new ATOM 501 N THR A 35 1.527 -6.792 2.693 1.00 0.00 N ATOM 502 CA THR A 35 0.098 -6.890 3.099 1.00 0.00 C ATOM 503 C THR A 35 0.005 -6.523 4.601 1.00 0.00 C ATOM 504 O THR A 35 -0.393 -7.339 5.409 1.00 0.00 O ATOM 505 CB THR A 35 -0.303 -8.324 2.797 1.00 0.00 C ATOM 506 OG1 THR A 35 -0.123 -8.455 1.392 1.00 0.00 O ATOM 507 CG2 THR A 35 -1.809 -8.591 3.037 1.00 0.00 C ATOM 0 H THR A 35 2.162 -7.393 3.218 1.00 0.00 H new ATOM 0 HA THR A 35 -0.574 -6.212 2.572 1.00 0.00 H new ATOM 0 HB THR A 35 0.276 -8.999 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.362 -9.364 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.036 -9.632 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.052 -8.391 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.401 -7.939 2.395 1.00 0.00 H new ATOM 515 N PRO A 36 0.374 -5.304 4.941 1.00 0.00 N ATOM 516 CA PRO A 36 0.559 -4.868 6.351 1.00 0.00 C ATOM 517 C PRO A 36 -0.776 -4.807 7.095 1.00 0.00 C ATOM 518 O PRO A 36 -1.822 -5.018 6.515 1.00 0.00 O ATOM 519 CB PRO A 36 1.238 -3.511 6.233 1.00 0.00 C ATOM 520 CG PRO A 36 0.580 -2.956 4.947 1.00 0.00 C ATOM 521 CD PRO A 36 0.648 -4.174 4.008 1.00 0.00 C ATOM 0 HA PRO A 36 1.159 -5.563 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.046 -2.878 7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.320 -3.599 6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.446 -2.630 5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.123 -2.100 4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.093 -4.115 3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.624 -4.267 3.531 1.00 0.00 H new ATOM 529 N LYS A 37 -0.653 -4.508 8.362 1.00 0.00 N ATOM 530 CA LYS A 37 -1.808 -4.386 9.310 1.00 0.00 C ATOM 531 C LYS A 37 -3.128 -3.934 8.658 1.00 0.00 C ATOM 532 O LYS A 37 -4.179 -4.500 8.887 1.00 0.00 O ATOM 533 CB LYS A 37 -1.371 -3.406 10.444 1.00 0.00 C ATOM 534 CG LYS A 37 -1.032 -1.986 9.910 1.00 0.00 C ATOM 535 CD LYS A 37 -2.248 -1.035 10.065 1.00 0.00 C ATOM 536 CE LYS A 37 -1.957 0.297 9.356 1.00 0.00 C ATOM 537 NZ LYS A 37 -1.777 0.077 7.892 1.00 0.00 N ATOM 0 H LYS A 37 0.250 -4.334 8.802 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.036 -5.378 9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.170 -3.331 11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.500 -3.815 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.177 -1.583 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.743 -2.046 8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.140 -1.497 9.641 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.452 -0.859 11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.777 0.994 9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.059 0.751 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.292 0.811 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.765 0.126 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.148 -0.859 7.633 1.00 0.00 H new HETATM 551 N NH2 A 38 -3.121 -2.919 7.837 1.00 1.00 N TER 554 NH2 A 38