USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 281 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 152:sc= -0.119 (180deg=-0.332) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= -0.0483 (180deg=-0.375) USER MOD Single : A 9 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-4!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00439 USER MOD Single : A 12 GLN : amide:sc= -1.54 K(o=-1.5,f=-4.9!) USER MOD Single : A 15 LYS NZ :NH3+ -142:sc= -1.23 (180deg=-3.11!) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= 1.3 (180deg=1.01) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.134) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.0616 (180deg=-0.462) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.1! K(o=-3.1!,f=-0.43) USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= 1.16 (180deg=-0.214) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0573 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.471 -8.592 -3.910 1.00 0.00 N ATOM 2 CA VAL A 1 -5.064 -7.193 -3.645 1.00 0.00 C ATOM 3 C VAL A 1 -3.560 -7.094 -3.433 1.00 0.00 C ATOM 4 O VAL A 1 -2.859 -8.104 -3.387 1.00 0.00 O ATOM 5 CB VAL A 1 -5.788 -6.602 -2.415 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.236 -6.276 -2.746 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.714 -7.563 -1.238 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.450 -8.735 -3.591 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.408 -8.785 -4.930 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.841 -9.240 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.348 -6.615 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.285 -5.676 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.726 -5.861 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.269 -5.548 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.752 -7.185 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -6.229 -7.129 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.189 -8.506 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.670 -7.743 -0.980 1.00 0.00 H new ATOM 19 N GLY A 2 -3.072 -5.871 -3.297 1.00 0.00 N ATOM 20 CA GLY A 2 -1.648 -5.649 -3.212 1.00 0.00 C ATOM 21 C GLY A 2 -1.133 -5.066 -4.501 1.00 0.00 C ATOM 22 O GLY A 2 -1.156 -5.724 -5.543 1.00 0.00 O ATOM 0 H GLY A 2 -3.641 -5.026 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.427 -4.974 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.138 -6.589 -3.001 1.00 0.00 H new ATOM 26 N ILE A 3 -0.669 -3.835 -4.439 1.00 0.00 N ATOM 27 CA ILE A 3 -0.423 -3.065 -5.640 1.00 0.00 C ATOM 28 C ILE A 3 0.978 -3.300 -6.181 1.00 0.00 C ATOM 29 O ILE A 3 1.792 -3.990 -5.565 1.00 0.00 O ATOM 30 CB ILE A 3 -0.623 -1.568 -5.359 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.556 -1.022 -4.554 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.930 -1.368 -4.601 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.447 0.448 -4.236 1.00 0.00 C ATOM 0 H ILE A 3 -0.455 -3.346 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.137 -3.396 -6.394 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.672 -1.023 -6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.637 -1.581 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.476 -1.196 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.075 -0.307 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.760 -1.740 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.891 -1.914 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.320 0.762 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.397 1.018 -5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.455 0.628 -3.651 1.00 0.00 H new ATOM 45 N ASN A 4 1.245 -2.700 -7.326 1.00 0.00 N ATOM 46 CA ASN A 4 2.520 -2.854 -8.004 1.00 0.00 C ATOM 47 C ASN A 4 3.320 -1.571 -7.852 1.00 0.00 C ATOM 48 O ASN A 4 3.222 -0.655 -8.669 1.00 0.00 O ATOM 49 CB ASN A 4 2.298 -3.187 -9.484 1.00 0.00 C ATOM 50 CG ASN A 4 3.580 -3.567 -10.203 1.00 0.00 C ATOM 51 OD1 ASN A 4 4.260 -2.720 -10.780 1.00 0.00 O ATOM 52 ND2 ASN A 4 3.914 -4.847 -10.185 1.00 0.00 N ATOM 0 H ASN A 4 0.585 -2.093 -7.812 1.00 0.00 H new ATOM 0 HA ASN A 4 3.077 -3.677 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.586 -4.008 -9.563 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.850 -2.327 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.761 -5.160 -10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.325 -5.521 -9.696 1.00 0.00 H new ATOM 59 N VAL A 5 4.097 -1.510 -6.787 1.00 0.00 N ATOM 60 CA VAL A 5 4.778 -0.288 -6.402 1.00 0.00 C ATOM 61 C VAL A 5 6.124 -0.634 -5.759 1.00 0.00 C ATOM 62 O VAL A 5 6.509 -1.802 -5.716 1.00 0.00 O ATOM 63 CB VAL A 5 3.897 0.520 -5.409 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.138 0.086 -3.981 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.105 2.020 -5.575 1.00 0.00 C ATOM 0 H VAL A 5 4.273 -2.301 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 5 4.953 0.323 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 5 2.855 0.306 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.507 0.670 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.896 -0.972 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.185 0.246 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.474 2.556 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.150 2.265 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.840 2.314 -6.590 1.00 0.00 H new ATOM 75 N ASP A 6 6.832 0.368 -5.267 1.00 0.00 N ATOM 76 CA ASP A 6 8.087 0.136 -4.572 1.00 0.00 C ATOM 77 C ASP A 6 8.098 0.867 -3.240 1.00 0.00 C ATOM 78 O ASP A 6 8.176 2.094 -3.175 1.00 0.00 O ATOM 79 CB ASP A 6 9.288 0.539 -5.429 1.00 0.00 C ATOM 80 CG ASP A 6 9.352 2.022 -5.751 1.00 0.00 C ATOM 81 OD1 ASP A 6 8.466 2.514 -6.482 1.00 0.00 O ATOM 82 OD2 ASP A 6 10.279 2.707 -5.267 1.00 0.00 O ATOM 0 H ASP A 6 6.560 1.349 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 6 8.171 -0.934 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.203 0.251 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.259 -0.023 -6.362 1.00 0.00 H new ATOM 87 N CYS A 7 7.985 0.100 -2.179 1.00 0.00 N ATOM 88 CA CYS A 7 7.930 0.658 -0.838 1.00 0.00 C ATOM 89 C CYS A 7 9.302 0.738 -0.206 1.00 0.00 C ATOM 90 O CYS A 7 10.102 -0.193 -0.294 1.00 0.00 O ATOM 91 CB CYS A 7 7.019 -0.165 0.070 1.00 0.00 C ATOM 92 SG CYS A 7 7.270 -1.969 -0.044 1.00 0.00 S ATOM 0 H CYS A 7 7.929 -0.918 -2.215 1.00 0.00 H new ATOM 0 HA CYS A 7 7.527 1.665 -0.942 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.178 0.147 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.981 0.061 -0.176 1.00 0.00 H new ATOM 97 N LYS A 8 9.575 1.868 0.411 1.00 0.00 N ATOM 98 CA LYS A 8 10.684 1.965 1.331 1.00 0.00 C ATOM 99 C LYS A 8 10.217 1.456 2.692 1.00 0.00 C ATOM 100 O LYS A 8 11.012 1.014 3.518 1.00 0.00 O ATOM 101 CB LYS A 8 11.175 3.410 1.443 1.00 0.00 C ATOM 102 CG LYS A 8 12.390 3.559 2.331 1.00 0.00 C ATOM 103 CD LYS A 8 12.905 4.987 2.357 1.00 0.00 C ATOM 104 CE LYS A 8 14.104 5.121 3.282 1.00 0.00 C ATOM 105 NZ LYS A 8 15.187 4.168 2.926 1.00 0.00 N ATOM 0 H LYS A 8 9.044 2.731 0.291 1.00 0.00 H new ATOM 0 HA LYS A 8 11.517 1.363 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.413 3.784 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.369 4.032 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.139 3.246 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.180 2.895 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.184 5.295 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.111 5.657 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.487 6.140 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.790 4.946 4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.069 4.452 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.922 3.211 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.329 4.173 1.896 1.00 0.00 H new ATOM 119 N HIS A 9 8.902 1.524 2.899 1.00 0.00 N ATOM 120 CA HIS A 9 8.270 1.083 4.143 1.00 0.00 C ATOM 121 C HIS A 9 6.756 1.136 3.994 1.00 0.00 C ATOM 122 O HIS A 9 6.252 1.738 3.045 1.00 0.00 O ATOM 123 CB HIS A 9 8.719 1.934 5.347 1.00 0.00 C ATOM 124 CG HIS A 9 8.763 3.403 5.068 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.885 4.028 4.581 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.808 4.356 5.146 1.00 0.00 C ATOM 127 CE1 HIS A 9 9.618 5.295 4.354 1.00 0.00 C ATOM 128 NE2 HIS A 9 8.363 5.526 4.693 1.00 0.00 N ATOM 0 H HIS A 9 8.244 1.887 2.209 1.00 0.00 H new ATOM 0 HA HIS A 9 8.583 0.057 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.041 1.753 6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.709 1.604 5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.796 4.222 5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.309 6.024 3.957 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.885 6.425 4.629 1.00 0.00 H new ATOM 137 N SER A 10 6.038 0.533 4.927 1.00 0.00 N ATOM 138 CA SER A 10 4.586 0.439 4.843 1.00 0.00 C ATOM 139 C SER A 10 3.925 1.812 4.943 1.00 0.00 C ATOM 140 O SER A 10 2.863 2.041 4.365 1.00 0.00 O ATOM 141 CB SER A 10 4.073 -0.487 5.941 1.00 0.00 C ATOM 142 OG SER A 10 4.588 -0.106 7.207 1.00 0.00 O ATOM 0 H SER A 10 6.439 0.098 5.758 1.00 0.00 H new ATOM 0 HA SER A 10 4.324 0.027 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.984 -0.461 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.363 -1.514 5.720 1.00 0.00 H new ATOM 0 HG SER A 10 4.244 -0.712 7.896 1.00 0.00 H new ATOM 148 N GLY A 11 4.569 2.722 5.666 1.00 0.00 N ATOM 149 CA GLY A 11 4.053 4.072 5.808 1.00 0.00 C ATOM 150 C GLY A 11 3.798 4.739 4.471 1.00 0.00 C ATOM 151 O GLY A 11 2.800 5.436 4.299 1.00 0.00 O ATOM 0 H GLY A 11 5.445 2.547 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.125 4.045 6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.762 4.670 6.380 1.00 0.00 H new ATOM 155 N GLN A 12 4.691 4.518 3.511 1.00 0.00 N ATOM 156 CA GLN A 12 4.516 5.092 2.182 1.00 0.00 C ATOM 157 C GLN A 12 3.764 4.146 1.247 1.00 0.00 C ATOM 158 O GLN A 12 3.765 4.337 0.034 1.00 0.00 O ATOM 159 CB GLN A 12 5.850 5.519 1.559 1.00 0.00 C ATOM 160 CG GLN A 12 6.972 4.512 1.680 1.00 0.00 C ATOM 161 CD GLN A 12 8.068 4.771 0.668 1.00 0.00 C ATOM 162 OE1 GLN A 12 8.088 4.172 -0.403 1.00 0.00 O ATOM 163 NE2 GLN A 12 8.963 5.695 0.980 1.00 0.00 N ATOM 0 H GLN A 12 5.532 3.953 3.626 1.00 0.00 H new ATOM 0 HA GLN A 12 3.909 5.988 2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.687 5.731 0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.168 6.451 2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.389 4.551 2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.576 3.507 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.912 6.171 1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.703 5.931 0.320 1.00 0.00 H new ATOM 172 N CYS A 13 3.129 3.129 1.809 1.00 0.00 N ATOM 173 CA CYS A 13 2.262 2.254 1.031 1.00 0.00 C ATOM 174 C CYS A 13 0.840 2.785 1.039 1.00 0.00 C ATOM 175 O CYS A 13 0.051 2.481 0.154 1.00 0.00 O ATOM 176 CB CYS A 13 2.273 0.828 1.585 1.00 0.00 C ATOM 177 SG CYS A 13 3.742 -0.144 1.135 1.00 0.00 S ATOM 0 H CYS A 13 3.197 2.889 2.798 1.00 0.00 H new ATOM 0 HA CYS A 13 2.641 2.233 0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.202 0.873 2.672 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.385 0.306 1.229 1.00 0.00 H new ATOM 182 N LEU A 14 0.540 3.605 2.035 1.00 0.00 N ATOM 183 CA LEU A 14 -0.815 4.082 2.270 1.00 0.00 C ATOM 184 C LEU A 14 -1.347 4.881 1.088 1.00 0.00 C ATOM 185 O LEU A 14 -2.392 4.556 0.525 1.00 0.00 O ATOM 186 CB LEU A 14 -0.844 4.949 3.524 1.00 0.00 C ATOM 187 CG LEU A 14 -0.342 4.275 4.804 1.00 0.00 C ATOM 188 CD1 LEU A 14 -0.488 5.211 5.992 1.00 0.00 C ATOM 189 CD2 LEU A 14 -1.079 2.968 5.053 1.00 0.00 C ATOM 0 H LEU A 14 1.227 3.958 2.702 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.456 3.210 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.242 5.839 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.868 5.285 3.689 1.00 0.00 H new ATOM 0 HG LEU A 14 0.716 4.046 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.126 4.715 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.095 6.115 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.538 5.475 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.705 2.508 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.146 3.166 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.915 2.292 4.214 1.00 0.00 H new ATOM 201 N LYS A 15 -0.612 5.919 0.724 1.00 0.00 N ATOM 202 CA LYS A 15 -1.005 6.819 -0.340 1.00 0.00 C ATOM 203 C LYS A 15 -1.234 6.088 -1.675 1.00 0.00 C ATOM 204 O LYS A 15 -2.328 6.175 -2.233 1.00 0.00 O ATOM 205 CB LYS A 15 0.042 7.930 -0.475 1.00 0.00 C ATOM 206 CG LYS A 15 -0.075 8.728 -1.752 1.00 0.00 C ATOM 207 CD LYS A 15 -1.341 9.579 -1.808 1.00 0.00 C ATOM 208 CE LYS A 15 -1.216 10.875 -1.008 1.00 0.00 C ATOM 209 NZ LYS A 15 -1.208 10.654 0.464 1.00 0.00 N ATOM 0 H LYS A 15 0.277 6.159 1.162 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.966 7.262 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.049 8.607 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.037 7.487 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.796 9.375 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.064 8.046 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.567 9.819 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.181 9.000 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.298 11.387 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.044 11.535 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.741 11.415 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.651 9.738 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.227 10.655 0.810 1.00 0.00 H new ATOM 223 N PRO A 16 -0.242 5.340 -2.212 1.00 0.00 N ATOM 224 CA PRO A 16 -0.414 4.655 -3.496 1.00 0.00 C ATOM 225 C PRO A 16 -1.455 3.543 -3.424 1.00 0.00 C ATOM 226 O PRO A 16 -2.050 3.169 -4.435 1.00 0.00 O ATOM 227 CB PRO A 16 0.970 4.085 -3.809 1.00 0.00 C ATOM 228 CG PRO A 16 1.675 4.011 -2.499 1.00 0.00 C ATOM 229 CD PRO A 16 1.100 5.107 -1.642 1.00 0.00 C ATOM 0 HA PRO A 16 -0.778 5.335 -4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.894 3.100 -4.270 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.508 4.724 -4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.527 3.037 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.749 4.143 -2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.043 4.807 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.712 6.008 -1.682 1.00 0.00 H new ATOM 237 N CYS A 17 -1.678 3.029 -2.226 1.00 0.00 N ATOM 238 CA CYS A 17 -2.693 2.012 -2.000 1.00 0.00 C ATOM 239 C CYS A 17 -4.085 2.629 -2.099 1.00 0.00 C ATOM 240 O CYS A 17 -5.017 2.022 -2.631 1.00 0.00 O ATOM 241 CB CYS A 17 -2.499 1.372 -0.628 1.00 0.00 C ATOM 242 SG CYS A 17 -3.668 0.039 -0.254 1.00 0.00 S ATOM 0 H CYS A 17 -1.165 3.302 -1.388 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.595 1.241 -2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.485 0.978 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.590 2.144 0.136 1.00 0.00 H new ATOM 247 N LYS A 18 -4.210 3.853 -1.609 1.00 0.00 N ATOM 248 CA LYS A 18 -5.477 4.566 -1.662 1.00 0.00 C ATOM 249 C LYS A 18 -5.695 5.129 -3.058 1.00 0.00 C ATOM 250 O LYS A 18 -6.830 5.320 -3.501 1.00 0.00 O ATOM 251 CB LYS A 18 -5.510 5.676 -0.614 1.00 0.00 C ATOM 252 CG LYS A 18 -5.706 5.157 0.804 1.00 0.00 C ATOM 253 CD LYS A 18 -5.834 6.293 1.805 1.00 0.00 C ATOM 254 CE LYS A 18 -6.192 5.785 3.193 1.00 0.00 C ATOM 255 NZ LYS A 18 -5.151 4.878 3.744 1.00 0.00 N ATOM 0 H LYS A 18 -3.450 4.373 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.286 3.870 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.578 6.240 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.315 6.370 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.600 4.535 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.863 4.523 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.895 6.845 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.598 6.992 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.326 6.633 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.145 5.258 3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.216 4.865 4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.298 3.916 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.210 5.217 3.460 1.00 0.00 H new ATOM 269 N LYS A 19 -4.593 5.382 -3.749 1.00 0.00 N ATOM 270 CA LYS A 19 -4.635 5.768 -5.148 1.00 0.00 C ATOM 271 C LYS A 19 -5.045 4.564 -5.992 1.00 0.00 C ATOM 272 O LYS A 19 -5.664 4.705 -7.048 1.00 0.00 O ATOM 273 CB LYS A 19 -3.268 6.294 -5.592 1.00 0.00 C ATOM 274 CG LYS A 19 -3.269 6.909 -6.981 1.00 0.00 C ATOM 275 CD LYS A 19 -1.898 7.449 -7.352 1.00 0.00 C ATOM 276 CE LYS A 19 -1.924 8.149 -8.701 1.00 0.00 C ATOM 277 NZ LYS A 19 -2.313 7.228 -9.800 1.00 0.00 N ATOM 0 H LYS A 19 -3.653 5.326 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.367 6.564 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.926 7.040 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.549 5.475 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.576 6.160 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.002 7.715 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.560 8.146 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.178 6.631 -7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.624 8.983 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.940 8.568 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.172 7.701 -10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.726 6.371 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.314 6.967 -9.696 1.00 0.00 H new ATOM 291 N ALA A 20 -4.698 3.378 -5.504 1.00 0.00 N ATOM 292 CA ALA A 20 -5.082 2.133 -6.151 1.00 0.00 C ATOM 293 C ALA A 20 -6.565 1.864 -5.947 1.00 0.00 C ATOM 294 O ALA A 20 -7.300 1.621 -6.904 1.00 0.00 O ATOM 295 CB ALA A 20 -4.260 0.975 -5.607 1.00 0.00 C ATOM 0 H ALA A 20 -4.147 3.255 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.887 2.227 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.560 0.051 -6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.202 1.160 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.427 0.882 -4.534 1.00 0.00 H new ATOM 301 N GLY A 21 -7.002 1.917 -4.695 1.00 0.00 N ATOM 302 CA GLY A 21 -8.407 1.729 -4.398 1.00 0.00 C ATOM 303 C GLY A 21 -8.646 0.932 -3.130 1.00 0.00 C ATOM 304 O GLY A 21 -9.777 0.532 -2.849 1.00 0.00 O ATOM 0 H GLY A 21 -6.409 2.086 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.886 2.704 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.884 1.220 -5.235 1.00 0.00 H new ATOM 308 N MET A 22 -7.593 0.692 -2.364 1.00 0.00 N ATOM 309 CA MET A 22 -7.720 -0.051 -1.120 1.00 0.00 C ATOM 310 C MET A 22 -7.564 0.885 0.071 1.00 0.00 C ATOM 311 O MET A 22 -7.464 2.101 -0.103 1.00 0.00 O ATOM 312 CB MET A 22 -6.701 -1.194 -1.043 1.00 0.00 C ATOM 313 CG MET A 22 -6.866 -2.247 -2.131 1.00 0.00 C ATOM 314 SD MET A 22 -6.298 -1.684 -3.751 1.00 0.00 S ATOM 315 CE MET A 22 -6.699 -3.099 -4.771 1.00 0.00 C ATOM 0 H MET A 22 -6.645 0.999 -2.581 1.00 0.00 H new ATOM 0 HA MET A 22 -8.716 -0.494 -1.093 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.696 -0.776 -1.106 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.785 -1.677 -0.069 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.312 -3.142 -1.849 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.916 -2.530 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.676 -2.809 -5.821 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.970 -3.891 -4.597 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.695 -3.461 -4.516 1.00 0.00 H new ATOM 325 N ARG A 23 -7.542 0.333 1.276 1.00 0.00 N ATOM 326 CA ARG A 23 -7.501 1.159 2.475 1.00 0.00 C ATOM 327 C ARG A 23 -6.089 1.255 3.039 1.00 0.00 C ATOM 328 O ARG A 23 -5.408 2.274 2.880 1.00 0.00 O ATOM 329 CB ARG A 23 -8.470 0.615 3.533 1.00 0.00 C ATOM 330 CG ARG A 23 -9.928 0.767 3.141 1.00 0.00 C ATOM 331 CD ARG A 23 -10.865 0.564 4.319 1.00 0.00 C ATOM 332 NE ARG A 23 -10.962 -0.838 4.712 1.00 0.00 N ATOM 333 CZ ARG A 23 -11.683 -1.272 5.743 1.00 0.00 C ATOM 334 NH1 ARG A 23 -12.375 -0.418 6.487 1.00 0.00 N ATOM 335 NH2 ARG A 23 -11.712 -2.563 6.026 1.00 0.00 N ATOM 0 H ARG A 23 -7.552 -0.672 1.449 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.814 2.166 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.255 -0.439 3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.298 1.134 4.476 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.087 1.760 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.169 0.047 2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.514 1.153 5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.856 0.936 4.061 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.446 -1.526 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.357 0.579 6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.925 -0.758 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.183 -3.222 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.263 -2.900 6.815 1.00 0.00 H new ATOM 349 N PHE A 24 -5.649 0.189 3.680 1.00 0.00 N ATOM 350 CA PHE A 24 -4.363 0.169 4.361 1.00 0.00 C ATOM 351 C PHE A 24 -3.342 -0.561 3.514 1.00 0.00 C ATOM 352 O PHE A 24 -3.703 -1.389 2.682 1.00 0.00 O ATOM 353 CB PHE A 24 -4.483 -0.528 5.719 1.00 0.00 C ATOM 354 CG PHE A 24 -5.900 -0.790 6.132 1.00 0.00 C ATOM 355 CD1 PHE A 24 -6.607 -1.823 5.553 1.00 0.00 C ATOM 356 CD2 PHE A 24 -6.526 -0.005 7.085 1.00 0.00 C ATOM 357 CE1 PHE A 24 -7.912 -2.076 5.908 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.835 -0.253 7.448 1.00 0.00 C ATOM 359 CZ PHE A 24 -8.528 -1.290 6.858 1.00 0.00 C ATOM 0 H PHE A 24 -6.169 -0.686 3.745 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.042 1.199 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.943 -1.474 5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.999 0.086 6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.129 -2.443 4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.986 0.808 7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.452 -2.888 5.444 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.316 0.364 8.193 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.552 -1.486 7.140 1.00 0.00 H new ATOM 369 N GLY A 25 -2.075 -0.284 3.759 1.00 0.00 N ATOM 370 CA GLY A 25 -1.023 -0.855 2.950 1.00 0.00 C ATOM 371 C GLY A 25 0.184 -1.250 3.770 1.00 0.00 C ATOM 372 O GLY A 25 0.559 -0.555 4.716 1.00 0.00 O ATOM 0 H GLY A 25 -1.754 0.330 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.406 -1.731 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.722 -0.135 2.189 1.00 0.00 H new ATOM 376 N LYS A 26 0.786 -2.369 3.410 1.00 0.00 N ATOM 377 CA LYS A 26 1.972 -2.870 4.084 1.00 0.00 C ATOM 378 C LYS A 26 3.064 -3.129 3.061 1.00 0.00 C ATOM 379 O LYS A 26 2.779 -3.415 1.900 1.00 0.00 O ATOM 380 CB LYS A 26 1.646 -4.168 4.823 1.00 0.00 C ATOM 381 CG LYS A 26 2.779 -4.715 5.677 1.00 0.00 C ATOM 382 CD LYS A 26 2.401 -6.053 6.291 1.00 0.00 C ATOM 383 CE LYS A 26 3.568 -6.679 7.036 1.00 0.00 C ATOM 384 NZ LYS A 26 3.200 -7.982 7.642 1.00 0.00 N ATOM 0 H LYS A 26 0.466 -2.958 2.641 1.00 0.00 H new ATOM 0 HA LYS A 26 2.314 -2.127 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.778 -3.999 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.362 -4.925 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.675 -4.831 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.020 -4.004 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.564 -5.916 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.064 -6.731 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.403 -6.820 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.908 -5.998 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.022 -8.377 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.420 -7.844 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.900 -8.640 6.895 1.00 0.00 H new ATOM 398 N CYS A 27 4.302 -3.047 3.495 1.00 0.00 N ATOM 399 CA CYS A 27 5.429 -3.283 2.614 1.00 0.00 C ATOM 400 C CYS A 27 5.908 -4.711 2.800 1.00 0.00 C ATOM 401 O CYS A 27 6.299 -5.108 3.898 1.00 0.00 O ATOM 402 CB CYS A 27 6.559 -2.293 2.894 1.00 0.00 C ATOM 403 SG CYS A 27 7.997 -2.475 1.785 1.00 0.00 S ATOM 0 H CYS A 27 4.557 -2.818 4.456 1.00 0.00 H new ATOM 0 HA CYS A 27 5.115 -3.136 1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.170 -1.279 2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.890 -2.417 3.925 1.00 0.00 H new ATOM 408 N ILE A 28 5.844 -5.491 1.736 1.00 0.00 N ATOM 409 CA ILE A 28 6.122 -6.912 1.825 1.00 0.00 C ATOM 410 C ILE A 28 7.333 -7.282 0.948 1.00 0.00 C ATOM 411 O ILE A 28 8.421 -6.742 1.150 1.00 0.00 O ATOM 412 CB ILE A 28 4.834 -7.711 1.475 1.00 0.00 C ATOM 413 CG1 ILE A 28 3.727 -7.339 2.469 1.00 0.00 C ATOM 414 CG2 ILE A 28 5.037 -9.216 1.482 1.00 0.00 C ATOM 415 CD1 ILE A 28 2.554 -8.294 2.472 1.00 0.00 C ATOM 0 H ILE A 28 5.602 -5.164 0.801 1.00 0.00 H new ATOM 0 HA ILE A 28 6.400 -7.181 2.844 1.00 0.00 H new ATOM 0 HB ILE A 28 4.556 -7.439 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.152 -7.299 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.366 -6.337 2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.099 -9.711 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.797 -9.484 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.360 -9.535 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.816 -7.961 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.101 -8.317 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.899 -9.294 2.736 1.00 0.00 H new ATOM 427 N ASN A 29 7.153 -8.149 -0.038 1.00 0.00 N ATOM 428 CA ASN A 29 8.266 -8.623 -0.856 1.00 0.00 C ATOM 429 C ASN A 29 8.457 -7.736 -2.074 1.00 0.00 C ATOM 430 O ASN A 29 8.622 -8.215 -3.193 1.00 0.00 O ATOM 431 CB ASN A 29 8.054 -10.091 -1.266 1.00 0.00 C ATOM 432 CG ASN A 29 6.669 -10.387 -1.832 1.00 0.00 C ATOM 433 OD1 ASN A 29 6.123 -11.463 -1.607 1.00 0.00 O ATOM 434 ND2 ASN A 29 6.092 -9.453 -2.572 1.00 0.00 N ATOM 0 H ASN A 29 6.246 -8.540 -0.293 1.00 0.00 H new ATOM 0 HA ASN A 29 9.176 -8.570 -0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.804 -10.361 -2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.223 -10.727 -0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.169 -9.618 -2.973 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.571 -8.568 -2.741 1.00 0.00 H new ATOM 441 N GLY A 30 8.427 -6.439 -1.841 1.00 0.00 N ATOM 442 CA GLY A 30 8.534 -5.488 -2.922 1.00 0.00 C ATOM 443 C GLY A 30 7.177 -4.983 -3.352 1.00 0.00 C ATOM 444 O GLY A 30 7.065 -4.194 -4.287 1.00 0.00 O ATOM 0 H GLY A 30 8.330 -6.023 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.153 -4.648 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.035 -5.955 -3.770 1.00 0.00 H new ATOM 448 N LYS A 31 6.140 -5.441 -2.670 1.00 0.00 N ATOM 449 CA LYS A 31 4.791 -5.023 -2.982 1.00 0.00 C ATOM 450 C LYS A 31 4.188 -4.291 -1.802 1.00 0.00 C ATOM 451 O LYS A 31 4.461 -4.629 -0.645 1.00 0.00 O ATOM 452 CB LYS A 31 3.916 -6.233 -3.326 1.00 0.00 C ATOM 453 CG LYS A 31 3.686 -7.164 -2.144 1.00 0.00 C ATOM 454 CD LYS A 31 2.726 -8.300 -2.464 1.00 0.00 C ATOM 455 CE LYS A 31 1.351 -7.793 -2.878 1.00 0.00 C ATOM 456 NZ LYS A 31 0.335 -8.883 -2.908 1.00 0.00 N ATOM 0 H LYS A 31 6.211 -6.103 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 31 4.832 -4.357 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.953 -5.883 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.384 -6.793 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.641 -7.581 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.294 -6.589 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.143 -8.910 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.626 -8.945 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.028 -7.016 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.417 -7.333 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.253 -8.786 -3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.816 -9.805 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.267 -8.819 -2.063 1.00 0.00 H new ATOM 470 N CYS A 32 3.396 -3.283 -2.091 1.00 0.00 N ATOM 471 CA CYS A 32 2.561 -2.677 -1.081 1.00 0.00 C ATOM 472 C CYS A 32 1.254 -3.455 -1.011 1.00 0.00 C ATOM 473 O CYS A 32 0.286 -3.138 -1.703 1.00 0.00 O ATOM 474 CB CYS A 32 2.326 -1.188 -1.381 1.00 0.00 C ATOM 475 SG CYS A 32 3.724 -0.110 -0.895 1.00 0.00 S ATOM 0 H CYS A 32 3.313 -2.866 -3.018 1.00 0.00 H new ATOM 0 HA CYS A 32 3.056 -2.721 -0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.139 -1.067 -2.448 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.427 -0.859 -0.860 1.00 0.00 H new ATOM 480 N ASP A 33 1.260 -4.520 -0.210 1.00 0.00 N ATOM 481 CA ASP A 33 0.097 -5.377 -0.069 1.00 0.00 C ATOM 482 C ASP A 33 -0.935 -4.716 0.831 1.00 0.00 C ATOM 483 O ASP A 33 -0.600 -4.168 1.881 1.00 0.00 O ATOM 484 CB ASP A 33 0.516 -6.726 0.499 1.00 0.00 C ATOM 485 CG ASP A 33 -0.625 -7.714 0.558 1.00 0.00 C ATOM 486 OD1 ASP A 33 -0.979 -8.267 -0.503 1.00 0.00 O ATOM 487 OD2 ASP A 33 -1.163 -7.946 1.661 1.00 0.00 O ATOM 0 H ASP A 33 2.063 -4.805 0.350 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.352 -5.534 -1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.318 -7.140 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.920 -6.584 1.501 1.00 0.00 H new ATOM 492 N CYS A 34 -2.186 -4.773 0.417 1.00 0.00 N ATOM 493 CA CYS A 34 -3.227 -3.977 1.043 1.00 0.00 C ATOM 494 C CYS A 34 -4.405 -4.820 1.493 1.00 0.00 C ATOM 495 O CYS A 34 -4.521 -5.991 1.140 1.00 0.00 O ATOM 496 CB CYS A 34 -3.738 -2.936 0.051 1.00 0.00 C ATOM 497 SG CYS A 34 -2.542 -1.641 -0.381 1.00 0.00 S ATOM 0 H CYS A 34 -2.508 -5.362 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.785 -3.505 1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.045 -3.446 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.628 -2.464 0.468 1.00 0.00 H new ATOM 502 N THR A 35 -5.270 -4.205 2.283 1.00 0.00 N ATOM 503 CA THR A 35 -6.580 -4.746 2.561 1.00 0.00 C ATOM 504 C THR A 35 -7.611 -3.734 2.078 1.00 0.00 C ATOM 505 O THR A 35 -7.524 -2.546 2.403 1.00 0.00 O ATOM 506 CB THR A 35 -6.779 -5.040 4.063 1.00 0.00 C ATOM 507 OG1 THR A 35 -5.815 -6.009 4.502 1.00 0.00 O ATOM 508 CG2 THR A 35 -8.184 -5.562 4.329 1.00 0.00 C ATOM 0 H THR A 35 -5.079 -3.317 2.747 1.00 0.00 H new ATOM 0 HA THR A 35 -6.694 -5.697 2.041 1.00 0.00 H new ATOM 0 HB THR A 35 -6.641 -4.111 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.945 -6.190 5.456 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.302 -5.763 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.915 -4.816 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.343 -6.482 3.767 1.00 0.00 H new ATOM 516 N PRO A 36 -8.568 -4.176 1.258 1.00 0.00 N ATOM 517 CA PRO A 36 -9.549 -3.289 0.646 1.00 0.00 C ATOM 518 C PRO A 36 -10.663 -2.902 1.617 1.00 0.00 C ATOM 519 O PRO A 36 -10.496 -2.993 2.835 1.00 0.00 O ATOM 520 CB PRO A 36 -10.074 -4.132 -0.515 1.00 0.00 C ATOM 521 CG PRO A 36 -9.988 -5.533 -0.026 1.00 0.00 C ATOM 522 CD PRO A 36 -8.784 -5.587 0.877 1.00 0.00 C ATOM 0 HA PRO A 36 -9.128 -2.333 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.099 -3.863 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.474 -3.988 -1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.893 -5.814 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.883 -6.230 -0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.966 -6.214 1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.916 -6.000 0.363 1.00 0.00 H new ATOM 530 N LYS A 37 -11.787 -2.460 1.082 1.00 0.00 N ATOM 531 CA LYS A 37 -12.903 -2.029 1.915 1.00 0.00 C ATOM 532 C LYS A 37 -13.786 -3.219 2.268 1.00 0.00 C ATOM 533 O LYS A 37 -14.726 -3.511 1.503 1.00 0.00 O ATOM 534 CB LYS A 37 -13.737 -0.942 1.223 1.00 0.00 C ATOM 535 CG LYS A 37 -13.046 0.413 1.108 1.00 0.00 C ATOM 536 CD LYS A 37 -12.029 0.458 -0.025 1.00 0.00 C ATOM 537 CE LYS A 37 -12.700 0.452 -1.394 1.00 0.00 C ATOM 538 NZ LYS A 37 -13.570 1.641 -1.606 1.00 0.00 N ATOM 539 OXT LYS A 37 -13.527 -3.870 3.299 1.00 0.00 O ATOM 0 H LYS A 37 -11.954 -2.389 0.078 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.490 -1.603 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.001 -1.287 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.670 -0.814 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.797 1.187 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.546 0.643 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.415 1.353 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.359 -0.398 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.935 0.422 -2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.296 -0.454 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.770 1.748 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.463 1.514 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.085 2.492 -1.257 1.00 0.00 H new TER 553 LYS A 37