USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 252 hydrogens (7 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 NoAdj-H: A 1 CYS H1 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD NoAdj-H: A 1 CYS H2 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD NoAdj-H: A 4 HYP H : A 4 HYP N : A 3 ILE C :(H bumps) USER MOD Set 1.1: A 5 ASN : amide:sc= -1.35 K(o=-1.3,f=-6.8!) USER MOD Set 1.2: A 6 GLN : amide:sc= 0 K(o=-1.3,f=-1.9) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HYP OD1 : rot 119:sc= 1.26 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0627) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -170:sc= -1.29 USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= 1.85 (180deg=1.35) USER MOD Single : A 21 ASN : amide:sc= 0.345 K(o=0.35,f=-9.7!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -0.792 8.946 -3.093 1.00 0.00 N ATOM 2 CA CYS A 1 -2.069 8.293 -3.190 1.00 0.00 C ATOM 3 C CYS A 1 -2.286 7.522 -1.887 1.00 0.00 C ATOM 4 O CYS A 1 -1.522 7.741 -0.927 1.00 0.00 O ATOM 5 CB CYS A 1 -2.071 7.357 -4.420 1.00 0.00 C ATOM 6 SG CYS A 1 -3.735 6.815 -4.977 1.00 0.00 S ATOM 0 H3 CYS A 1 -0.609 9.483 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.881 9.007 -3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.575 7.866 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.476 6.474 -4.187 1.00 0.00 H new ATOM 11 N ARG A 2 -3.327 6.675 -1.835 1.00 0.00 N ATOM 12 CA ARG A 2 -3.645 5.829 -0.679 1.00 0.00 C ATOM 13 C ARG A 2 -2.363 5.077 -0.270 1.00 0.00 C ATOM 14 O ARG A 2 -1.720 4.418 -1.121 1.00 0.00 O ATOM 15 CB ARG A 2 -4.770 4.866 -1.087 1.00 0.00 C ATOM 16 CG ARG A 2 -5.365 4.016 0.018 1.00 0.00 C ATOM 17 CD ARG A 2 -6.090 4.838 1.069 1.00 0.00 C ATOM 18 NE ARG A 2 -6.689 3.972 2.089 1.00 0.00 N ATOM 19 CZ ARG A 2 -7.007 4.348 3.335 1.00 0.00 C ATOM 20 NH1 ARG A 2 -6.923 5.632 3.698 1.00 0.00 N ATOM 21 NH2 ARG A 2 -7.434 3.443 4.209 1.00 0.00 N ATOM 0 H ARG A 2 -3.981 6.559 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.988 6.413 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.572 5.450 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.386 4.201 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.060 3.297 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.571 3.443 0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.393 5.531 1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.866 5.439 0.595 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.879 3.004 1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.615 6.333 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.167 5.910 4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.519 2.465 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.677 3.726 5.158 1.00 0.00 H new ATOM 35 N ILE A 3 -2.023 5.158 1.014 1.00 0.00 N ATOM 36 CA ILE A 3 -0.704 4.792 1.511 1.00 0.00 C ATOM 37 C ILE A 3 -0.358 3.314 1.383 1.00 0.00 C ATOM 38 O ILE A 3 -1.026 2.443 1.952 1.00 0.00 O ATOM 39 CB ILE A 3 -0.457 5.274 2.970 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.560 4.773 3.914 1.00 0.00 C ATOM 41 CG2 ILE A 3 -0.348 6.795 3.016 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.297 5.036 5.370 1.00 0.00 C ATOM 0 H ILE A 3 -2.661 5.482 1.741 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.027 5.325 0.844 1.00 0.00 H new ATOM 0 HB ILE A 3 0.487 4.851 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.502 5.246 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.687 3.700 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.175 7.117 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.483 7.119 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.274 7.237 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.125 4.650 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.374 4.540 5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.201 6.109 5.534 1.00 0.00 H new HETATM 54 N HYP A 4 0.657 2.995 0.579 1.00 0.00 N HETATM 55 CA HYP A 4 1.183 1.648 0.480 1.00 0.00 C HETATM 56 C HYP A 4 2.061 1.267 1.673 1.00 0.00 C HETATM 57 O HYP A 4 3.282 1.461 1.662 1.00 0.00 O HETATM 58 CB HYP A 4 2.004 1.671 -0.813 1.00 0.00 C HETATM 59 CG HYP A 4 1.536 2.905 -1.495 1.00 0.00 C HETATM 60 CD HYP A 4 1.326 3.873 -0.387 1.00 0.00 C HETATM 61 OD1 HYP A 4 0.258 2.684 -2.116 1.00 0.00 O HETATM 0 HD23 HYP A 4 0.706 4.720 -0.682 1.00 0.00 H new HETATM 0 HD22 HYP A 4 2.262 4.281 -0.004 1.00 0.00 H new HETATM 0 HG HYP A 4 2.242 3.234 -2.258 1.00 0.00 H new HETATM 0 HD1 HYP A 4 -0.404 3.295 -1.729 1.00 0.00 H new HETATM 0 HB3 HYP A 4 3.074 1.706 -0.609 1.00 0.00 H new HETATM 0 HB2 HYP A 4 1.824 0.783 -1.420 1.00 0.00 H new HETATM 0 HA HYP A 4 0.385 0.905 0.476 1.00 0.00 H new ATOM 69 N ASN A 5 1.409 0.845 2.728 1.00 0.00 N ATOM 70 CA ASN A 5 2.067 0.264 3.914 1.00 0.00 C ATOM 71 C ASN A 5 1.054 -0.557 4.685 1.00 0.00 C ATOM 72 O ASN A 5 1.297 -0.993 5.812 1.00 0.00 O ATOM 73 CB ASN A 5 2.682 1.344 4.830 1.00 0.00 C ATOM 74 CG ASN A 5 1.662 2.296 5.412 1.00 0.00 C ATOM 75 OD1 ASN A 5 1.337 3.300 4.803 1.00 0.00 O ATOM 76 ND2 ASN A 5 1.190 2.019 6.595 1.00 0.00 N ATOM 0 H ASN A 5 0.393 0.888 2.806 1.00 0.00 H new ATOM 0 HA ASN A 5 2.887 -0.367 3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.217 0.856 5.644 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.417 1.915 4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.526 2.652 7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.485 1.169 7.075 1.00 0.00 H new ATOM 83 N GLN A 6 -0.074 -0.771 4.055 1.00 0.00 N ATOM 84 CA GLN A 6 -1.185 -1.498 4.629 1.00 0.00 C ATOM 85 C GLN A 6 -1.041 -2.978 4.260 1.00 0.00 C ATOM 86 O GLN A 6 -0.054 -3.368 3.625 1.00 0.00 O ATOM 87 CB GLN A 6 -2.469 -0.949 4.013 1.00 0.00 C ATOM 88 CG GLN A 6 -2.577 0.570 4.060 1.00 0.00 C ATOM 89 CD GLN A 6 -2.807 1.133 5.442 1.00 0.00 C ATOM 90 OE1 GLN A 6 -1.873 1.402 6.198 1.00 0.00 O ATOM 91 NE2 GLN A 6 -4.039 1.400 5.743 1.00 0.00 N ATOM 0 H GLN A 6 -0.252 -0.438 3.107 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.207 -1.390 5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.531 -1.276 2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.324 -1.380 4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.662 1.001 3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.394 0.885 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.786 1.162 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.261 1.848 6.632 1.00 0.00 H new ATOM 100 N LYS A 7 -1.992 -3.793 4.649 1.00 0.00 N ATOM 101 CA LYS A 7 -1.976 -5.191 4.268 1.00 0.00 C ATOM 102 C LYS A 7 -2.654 -5.359 2.929 1.00 0.00 C ATOM 103 O LYS A 7 -3.709 -4.766 2.688 1.00 0.00 O ATOM 104 CB LYS A 7 -2.658 -6.069 5.329 1.00 0.00 C ATOM 105 CG LYS A 7 -1.946 -6.089 6.680 1.00 0.00 C ATOM 106 CD LYS A 7 -0.509 -6.583 6.558 1.00 0.00 C ATOM 107 CE LYS A 7 -0.428 -8.046 6.135 1.00 0.00 C ATOM 108 NZ LYS A 7 -0.927 -8.952 7.189 1.00 0.00 N ATOM 0 H LYS A 7 -2.786 -3.517 5.227 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.938 -5.515 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.679 -5.716 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.725 -7.089 4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.950 -5.086 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.494 -6.732 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.023 -5.968 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.002 -6.456 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.009 -8.193 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.605 -8.299 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.716 -9.937 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.462 -8.725 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.955 -8.833 7.291 1.00 0.00 H new ATOM 122 N CYS A 8 -2.064 -6.136 2.061 1.00 0.00 N ATOM 123 CA CYS A 8 -2.627 -6.347 0.753 1.00 0.00 C ATOM 124 C CYS A 8 -3.022 -7.801 0.564 1.00 0.00 C ATOM 125 O CYS A 8 -2.299 -8.720 0.986 1.00 0.00 O ATOM 126 CB CYS A 8 -1.655 -5.886 -0.348 1.00 0.00 C ATOM 127 SG CYS A 8 -0.017 -6.688 -0.310 1.00 0.00 S ATOM 0 H CYS A 8 -1.192 -6.635 2.236 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.530 -5.741 0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.113 -6.074 -1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.518 -4.808 -0.263 1.00 0.00 H new ATOM 132 N PHE A 9 -4.167 -8.000 -0.034 1.00 0.00 N ATOM 133 CA PHE A 9 -4.709 -9.311 -0.334 1.00 0.00 C ATOM 134 C PHE A 9 -5.152 -9.290 -1.784 1.00 0.00 C ATOM 135 O PHE A 9 -5.217 -8.203 -2.373 1.00 0.00 O ATOM 136 CB PHE A 9 -5.907 -9.639 0.586 1.00 0.00 C ATOM 137 CG PHE A 9 -5.567 -9.925 2.035 1.00 0.00 C ATOM 138 CD1 PHE A 9 -5.431 -8.904 2.961 1.00 0.00 C ATOM 139 CD2 PHE A 9 -5.407 -11.227 2.468 1.00 0.00 C ATOM 140 CE1 PHE A 9 -5.142 -9.181 4.278 1.00 0.00 C ATOM 141 CE2 PHE A 9 -5.123 -11.510 3.782 1.00 0.00 C ATOM 142 CZ PHE A 9 -4.990 -10.490 4.688 1.00 0.00 C ATOM 0 H PHE A 9 -4.771 -7.236 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.954 -10.079 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.605 -8.802 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.429 -10.504 0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.553 -7.878 2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.507 -12.037 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.034 -8.375 4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.005 -12.535 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.767 -10.710 5.721 1.00 0.00 H new ATOM 152 N GLN A 10 -5.483 -10.453 -2.348 1.00 0.00 N ATOM 153 CA GLN A 10 -5.869 -10.560 -3.769 1.00 0.00 C ATOM 154 C GLN A 10 -7.037 -9.653 -4.113 1.00 0.00 C ATOM 155 O GLN A 10 -7.001 -8.928 -5.095 1.00 0.00 O ATOM 156 CB GLN A 10 -6.276 -11.984 -4.148 1.00 0.00 C ATOM 157 CG GLN A 10 -5.206 -13.046 -4.010 1.00 0.00 C ATOM 158 CD GLN A 10 -5.688 -14.405 -4.509 1.00 0.00 C ATOM 159 OE1 GLN A 10 -6.975 -14.655 -4.426 1.00 0.00 O flip ATOM 160 NE2 GLN A 10 -4.897 -15.224 -4.979 1.00 0.00 N flip ATOM 0 H GLN A 10 -5.493 -11.341 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.982 -10.260 -4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.126 -12.273 -3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.621 -11.978 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.321 -12.746 -4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.908 -13.128 -2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.903 -15.001 -5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.236 -16.125 -5.317 1.00 0.00 H new ATOM 169 N HIS A 11 -8.055 -9.683 -3.288 1.00 0.00 N ATOM 170 CA HIS A 11 -9.282 -8.960 -3.582 1.00 0.00 C ATOM 171 C HIS A 11 -9.355 -7.680 -2.772 1.00 0.00 C ATOM 172 O HIS A 11 -10.392 -7.019 -2.720 1.00 0.00 O ATOM 173 CB HIS A 11 -10.511 -9.850 -3.301 1.00 0.00 C ATOM 174 CG HIS A 11 -10.435 -11.209 -3.953 1.00 0.00 C ATOM 175 ND1 HIS A 11 -10.768 -11.461 -5.261 1.00 0.00 N ATOM 176 CD2 HIS A 11 -10.002 -12.394 -3.447 1.00 0.00 C ATOM 177 CE1 HIS A 11 -10.529 -12.752 -5.509 1.00 0.00 C ATOM 178 NE2 HIS A 11 -10.061 -13.365 -4.434 1.00 0.00 N ATOM 0 H HIS A 11 -8.065 -10.198 -2.407 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.281 -8.695 -4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -10.617 -9.979 -2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.407 -9.338 -3.651 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -9.665 -12.554 -2.434 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -10.696 -13.232 -6.462 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -9.798 -14.347 -4.349 1.00 0.00 H new ATOM 186 N LEU A 12 -8.251 -7.320 -2.165 1.00 0.00 N ATOM 187 CA LEU A 12 -8.180 -6.132 -1.369 1.00 0.00 C ATOM 188 C LEU A 12 -7.357 -5.100 -2.099 1.00 0.00 C ATOM 189 O LEU A 12 -6.111 -5.163 -2.115 1.00 0.00 O ATOM 190 CB LEU A 12 -7.578 -6.427 0.008 1.00 0.00 C ATOM 191 CG LEU A 12 -7.411 -5.226 0.945 1.00 0.00 C ATOM 192 CD1 LEU A 12 -8.738 -4.576 1.242 1.00 0.00 C ATOM 193 CD2 LEU A 12 -6.733 -5.638 2.226 1.00 0.00 C ATOM 0 H LEU A 12 -7.379 -7.847 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.188 -5.749 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.207 -7.165 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.600 -6.887 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.782 -4.496 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.586 -3.727 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.190 -4.230 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.399 -5.299 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.625 -4.770 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.335 -6.395 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.748 -6.048 2.001 1.00 0.00 H new ATOM 205 N ASP A 13 -8.025 -4.187 -2.731 1.00 0.00 N ATOM 206 CA ASP A 13 -7.354 -3.178 -3.482 1.00 0.00 C ATOM 207 C ASP A 13 -7.467 -1.847 -2.781 1.00 0.00 C ATOM 208 O ASP A 13 -8.517 -1.196 -2.803 1.00 0.00 O ATOM 209 CB ASP A 13 -7.883 -3.119 -4.911 1.00 0.00 C ATOM 210 CG ASP A 13 -7.073 -2.206 -5.781 1.00 0.00 C ATOM 211 OD1 ASP A 13 -5.914 -2.538 -6.090 1.00 0.00 O ATOM 212 OD2 ASP A 13 -7.570 -1.138 -6.182 1.00 0.00 O ATOM 0 H ASP A 13 -9.043 -4.121 -2.740 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.296 -3.431 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.880 -4.122 -5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.919 -2.781 -4.899 1.00 0.00 H new ATOM 217 N ASP A 14 -6.401 -1.468 -2.121 1.00 0.00 N ATOM 218 CA ASP A 14 -6.359 -0.233 -1.353 1.00 0.00 C ATOM 219 C ASP A 14 -5.114 0.559 -1.692 1.00 0.00 C ATOM 220 O ASP A 14 -5.203 1.712 -2.112 1.00 0.00 O ATOM 221 CB ASP A 14 -6.390 -0.546 0.152 1.00 0.00 C ATOM 222 CG ASP A 14 -6.328 0.693 1.029 1.00 0.00 C ATOM 223 OD1 ASP A 14 -7.355 1.379 1.189 1.00 0.00 O ATOM 224 OD2 ASP A 14 -5.275 0.981 1.613 1.00 0.00 O ATOM 0 H ASP A 14 -5.533 -2.003 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.233 0.365 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.301 -1.099 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.551 -1.198 0.397 1.00 0.00 H new ATOM 229 N CYS A 15 -3.967 -0.089 -1.598 1.00 0.00 N ATOM 230 CA CYS A 15 -2.690 0.549 -1.843 1.00 0.00 C ATOM 231 C CYS A 15 -2.557 0.855 -3.325 1.00 0.00 C ATOM 232 O CYS A 15 -2.518 -0.060 -4.131 1.00 0.00 O ATOM 233 CB CYS A 15 -1.559 -0.390 -1.412 1.00 0.00 C ATOM 234 SG CYS A 15 -1.706 -1.013 0.299 1.00 0.00 S ATOM 0 H CYS A 15 -3.897 -1.076 -1.349 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.629 1.476 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.529 -1.240 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.609 0.134 -1.514 1.00 0.00 H new ATOM 239 N CYS A 16 -2.482 2.135 -3.678 1.00 0.00 N ATOM 240 CA CYS A 16 -2.406 2.572 -5.086 1.00 0.00 C ATOM 241 C CYS A 16 -1.192 2.004 -5.812 1.00 0.00 C ATOM 242 O CYS A 16 -1.223 1.791 -7.025 1.00 0.00 O ATOM 243 CB CYS A 16 -2.397 4.091 -5.173 1.00 0.00 C ATOM 244 SG CYS A 16 -3.861 4.868 -4.426 1.00 0.00 S ATOM 0 H CYS A 16 -2.472 2.903 -3.006 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.294 2.182 -5.583 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.502 4.470 -4.679 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.333 4.387 -6.220 1.00 0.00 H new ATOM 249 N SER A 17 -0.146 1.741 -5.084 1.00 0.00 N ATOM 250 CA SER A 17 1.037 1.184 -5.664 1.00 0.00 C ATOM 251 C SER A 17 0.831 -0.289 -6.041 1.00 0.00 C ATOM 252 O SER A 17 1.307 -0.734 -7.076 1.00 0.00 O ATOM 253 CB SER A 17 2.181 1.324 -4.676 1.00 0.00 C ATOM 254 OG SER A 17 3.370 0.753 -5.154 1.00 0.00 O ATOM 0 H SER A 17 -0.090 1.906 -4.079 1.00 0.00 H new ATOM 0 HA SER A 17 1.272 1.725 -6.581 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.347 2.380 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.905 0.849 -3.734 1.00 0.00 H new ATOM 0 HG SER A 17 4.032 0.724 -4.432 1.00 0.00 H new ATOM 260 N ARG A 18 0.058 -1.016 -5.215 1.00 0.00 N ATOM 261 CA ARG A 18 -0.118 -2.486 -5.327 1.00 0.00 C ATOM 262 C ARG A 18 1.226 -3.216 -5.184 1.00 0.00 C ATOM 263 O ARG A 18 1.354 -4.384 -5.533 1.00 0.00 O ATOM 264 CB ARG A 18 -0.832 -2.945 -6.635 1.00 0.00 C ATOM 265 CG ARG A 18 -2.323 -2.622 -6.744 1.00 0.00 C ATOM 266 CD ARG A 18 -2.588 -1.159 -6.996 1.00 0.00 C ATOM 267 NE ARG A 18 -4.019 -0.860 -7.049 1.00 0.00 N ATOM 268 CZ ARG A 18 -4.552 0.249 -7.566 1.00 0.00 C ATOM 269 NH1 ARG A 18 -3.776 1.199 -8.062 1.00 0.00 N ATOM 270 NH2 ARG A 18 -5.854 0.416 -7.557 1.00 0.00 N ATOM 0 H ARG A 18 -0.468 -0.603 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.777 -2.757 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.320 -2.488 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.708 -4.024 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.759 -3.210 -7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.824 -2.924 -5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.123 -0.566 -6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.121 -0.863 -7.935 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.659 -1.553 -6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.762 1.087 -8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.192 2.043 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.457 -0.301 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.262 1.263 -7.952 1.00 0.00 H new ATOM 284 N LYS A 19 2.199 -2.534 -4.635 1.00 0.00 N ATOM 285 CA LYS A 19 3.512 -3.089 -4.453 1.00 0.00 C ATOM 286 C LYS A 19 3.536 -3.795 -3.115 1.00 0.00 C ATOM 287 O LYS A 19 3.408 -3.154 -2.071 1.00 0.00 O ATOM 288 CB LYS A 19 4.550 -1.967 -4.487 1.00 0.00 C ATOM 289 CG LYS A 19 5.994 -2.410 -4.412 1.00 0.00 C ATOM 290 CD LYS A 19 6.921 -1.204 -4.329 1.00 0.00 C ATOM 291 CE LYS A 19 8.364 -1.633 -4.177 1.00 0.00 C ATOM 292 NZ LYS A 19 9.282 -0.492 -3.985 1.00 0.00 N ATOM 0 H LYS A 19 2.100 -1.575 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 19 3.749 -3.796 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.411 -1.396 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.353 -1.289 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.140 -3.048 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.243 -3.007 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.812 -0.596 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.634 -0.579 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.450 -2.310 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.667 -2.193 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.162 -0.825 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.499 -0.062 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.832 0.216 -3.370 1.00 0.00 H new ATOM 306 N CYS A 20 3.656 -5.084 -3.144 1.00 0.00 N ATOM 307 CA CYS A 20 3.631 -5.864 -1.937 1.00 0.00 C ATOM 308 C CYS A 20 4.965 -6.523 -1.690 1.00 0.00 C ATOM 309 O CYS A 20 5.742 -6.759 -2.629 1.00 0.00 O ATOM 310 CB CYS A 20 2.507 -6.900 -1.978 1.00 0.00 C ATOM 311 SG CYS A 20 0.833 -6.177 -2.081 1.00 0.00 S ATOM 0 H CYS A 20 3.774 -5.629 -3.998 1.00 0.00 H new ATOM 0 HA CYS A 20 3.434 -5.188 -1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.662 -7.555 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.568 -7.523 -1.086 1.00 0.00 H new ATOM 316 N ASN A 21 5.259 -6.755 -0.435 1.00 0.00 N ATOM 317 CA ASN A 21 6.486 -7.412 -0.040 1.00 0.00 C ATOM 318 C ASN A 21 6.216 -8.816 0.474 1.00 0.00 C ATOM 319 O ASN A 21 5.067 -9.273 0.515 1.00 0.00 O ATOM 320 CB ASN A 21 7.249 -6.609 1.040 1.00 0.00 C ATOM 321 CG ASN A 21 6.489 -6.408 2.360 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.609 -7.180 2.740 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.869 -5.421 3.086 1.00 0.00 N ATOM 0 H ASN A 21 4.655 -6.494 0.345 1.00 0.00 H new ATOM 0 HA ASN A 21 7.109 -7.469 -0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.189 -7.119 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.503 -5.631 0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.440 -5.264 3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.600 -4.793 2.751 1.00 0.00 H new ATOM 330 N ARG A 22 7.279 -9.453 0.920 1.00 0.00 N ATOM 331 CA ARG A 22 7.292 -10.812 1.479 1.00 0.00 C ATOM 332 C ARG A 22 6.419 -10.984 2.732 1.00 0.00 C ATOM 333 O ARG A 22 6.187 -12.105 3.173 1.00 0.00 O ATOM 334 CB ARG A 22 8.728 -11.196 1.814 1.00 0.00 C ATOM 335 CG ARG A 22 9.426 -10.208 2.749 1.00 0.00 C ATOM 336 CD ARG A 22 10.868 -10.584 2.948 1.00 0.00 C ATOM 337 NE ARG A 22 11.636 -9.559 3.660 1.00 0.00 N ATOM 338 CZ ARG A 22 12.850 -9.758 4.194 1.00 0.00 C ATOM 339 NH1 ARG A 22 13.433 -10.959 4.107 1.00 0.00 N ATOM 340 NH2 ARG A 22 13.492 -8.758 4.787 1.00 0.00 N ATOM 0 H ARG A 22 8.206 -9.028 0.907 1.00 0.00 H new ATOM 0 HA ARG A 22 6.867 -11.465 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.733 -12.184 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.299 -11.273 0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.362 -9.202 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.915 -10.189 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.920 -11.520 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.328 -10.765 1.976 1.00 0.00 H new ATOM 0 HE ARG A 22 11.220 -8.633 3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.954 -11.725 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.356 -11.108 4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.062 -7.835 4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.415 -8.913 5.192 1.00 0.00 H new ATOM 354 N PHE A 23 5.963 -9.902 3.309 1.00 0.00 N ATOM 355 CA PHE A 23 5.133 -9.969 4.497 1.00 0.00 C ATOM 356 C PHE A 23 3.686 -9.698 4.131 1.00 0.00 C ATOM 357 O PHE A 23 2.829 -9.560 5.002 1.00 0.00 O ATOM 358 CB PHE A 23 5.608 -8.960 5.545 1.00 0.00 C ATOM 359 CG PHE A 23 7.021 -9.179 5.999 1.00 0.00 C ATOM 360 CD1 PHE A 23 7.362 -10.325 6.691 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.009 -8.242 5.731 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.653 -10.539 7.110 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.306 -8.451 6.152 1.00 0.00 C ATOM 364 CZ PHE A 23 9.630 -9.601 6.844 1.00 0.00 C ATOM 0 H PHE A 23 6.151 -8.956 2.977 1.00 0.00 H new ATOM 0 HA PHE A 23 5.214 -10.970 4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.520 -7.954 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.946 -9.010 6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.603 -11.063 6.906 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.760 -7.342 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.903 -11.442 7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.068 -7.715 5.940 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.644 -9.766 7.176 1.00 0.00 H new ATOM 374 N ASN A 24 3.436 -9.605 2.818 1.00 0.00 N ATOM 375 CA ASN A 24 2.102 -9.342 2.237 1.00 0.00 C ATOM 376 C ASN A 24 1.622 -7.959 2.629 1.00 0.00 C ATOM 377 O ASN A 24 0.413 -7.667 2.691 1.00 0.00 O ATOM 378 CB ASN A 24 1.065 -10.420 2.616 1.00 0.00 C ATOM 379 CG ASN A 24 1.455 -11.816 2.159 1.00 0.00 C ATOM 380 OD1 ASN A 24 2.089 -12.565 2.894 1.00 0.00 O ATOM 381 ND2 ASN A 24 1.107 -12.169 0.948 1.00 0.00 N ATOM 0 H ASN A 24 4.165 -9.712 2.113 1.00 0.00 H new ATOM 0 HA ASN A 24 2.207 -9.386 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.933 -10.423 3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.102 -10.158 2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.363 -13.090 0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.580 -11.523 0.360 1.00 0.00 H new ATOM 388 N LYS A 25 2.579 -7.103 2.880 1.00 0.00 N ATOM 389 CA LYS A 25 2.321 -5.742 3.192 1.00 0.00 C ATOM 390 C LYS A 25 2.635 -4.921 1.986 1.00 0.00 C ATOM 391 O LYS A 25 3.455 -5.328 1.150 1.00 0.00 O ATOM 392 CB LYS A 25 3.192 -5.262 4.340 1.00 0.00 C ATOM 393 CG LYS A 25 2.985 -6.002 5.634 1.00 0.00 C ATOM 394 CD LYS A 25 3.717 -5.307 6.735 1.00 0.00 C ATOM 395 CE LYS A 25 3.553 -6.020 8.064 1.00 0.00 C ATOM 396 NZ LYS A 25 4.145 -5.240 9.166 1.00 0.00 N ATOM 0 H LYS A 25 3.569 -7.346 2.870 1.00 0.00 H new ATOM 0 HA LYS A 25 1.276 -5.642 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.238 -5.353 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.999 -4.202 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.922 -6.054 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.341 -7.028 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.776 -5.246 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.351 -4.284 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.494 -6.187 8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.026 -7.001 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.017 -5.753 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.160 -5.102 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.676 -4.314 9.227 1.00 0.00 H new ATOM 410 N CYS A 26 2.003 -3.809 1.871 1.00 0.00 N ATOM 411 CA CYS A 26 2.288 -2.908 0.806 1.00 0.00 C ATOM 412 C CYS A 26 3.537 -2.124 1.162 1.00 0.00 C ATOM 413 O CYS A 26 3.781 -1.827 2.347 1.00 0.00 O ATOM 414 CB CYS A 26 1.146 -1.927 0.610 1.00 0.00 C ATOM 415 SG CYS A 26 -0.495 -2.647 0.322 1.00 0.00 S ATOM 0 H CYS A 26 1.273 -3.495 2.511 1.00 0.00 H new ATOM 0 HA CYS A 26 2.427 -3.478 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.089 -1.288 1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.390 -1.283 -0.235 1.00 0.00 H new ATOM 420 N VAL A 27 4.328 -1.820 0.179 1.00 0.00 N ATOM 421 CA VAL A 27 5.492 -1.002 0.378 1.00 0.00 C ATOM 422 C VAL A 27 5.470 0.180 -0.551 1.00 0.00 C ATOM 423 O VAL A 27 4.695 0.203 -1.507 1.00 0.00 O ATOM 424 CB VAL A 27 6.838 -1.775 0.301 1.00 0.00 C ATOM 425 CG1 VAL A 27 7.017 -2.642 1.522 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.905 -2.636 -0.943 1.00 0.00 C ATOM 0 H VAL A 27 4.188 -2.129 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 27 5.439 -0.644 1.406 1.00 0.00 H new ATOM 0 HB VAL A 27 7.640 -1.038 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.964 -3.177 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.017 -2.017 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.199 -3.360 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.858 -3.164 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.089 -3.359 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.816 -2.005 -1.827 1.00 0.00 H new ATOM 436 N LEU A 28 6.301 1.150 -0.265 1.00 0.00 N ATOM 437 CA LEU A 28 6.306 2.404 -0.978 1.00 0.00 C ATOM 438 C LEU A 28 6.888 2.223 -2.381 1.00 0.00 C ATOM 439 O LEU A 28 7.960 1.606 -2.544 1.00 0.00 O ATOM 440 CB LEU A 28 7.147 3.432 -0.207 1.00 0.00 C ATOM 441 CG LEU A 28 7.034 4.885 -0.666 1.00 0.00 C ATOM 442 CD1 LEU A 28 5.679 5.463 -0.281 1.00 0.00 C ATOM 443 CD2 LEU A 28 8.160 5.719 -0.090 1.00 0.00 C ATOM 0 H LEU A 28 7.000 1.092 0.476 1.00 0.00 H new ATOM 0 HA LEU A 28 5.279 2.758 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.866 3.383 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.194 3.134 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 28 7.119 4.909 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.617 6.498 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.888 4.881 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.561 5.424 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.060 6.750 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.114 5.690 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.117 5.318 -0.424 1.00 0.00 H new ATOM 455 N PRO A 29 6.204 2.730 -3.411 1.00 0.00 N ATOM 456 CA PRO A 29 6.700 2.686 -4.772 1.00 0.00 C ATOM 457 C PRO A 29 7.789 3.727 -4.969 1.00 0.00 C ATOM 458 O PRO A 29 8.102 4.508 -4.056 1.00 0.00 O ATOM 459 CB PRO A 29 5.477 3.062 -5.605 1.00 0.00 C ATOM 460 CG PRO A 29 4.684 3.933 -4.714 1.00 0.00 C ATOM 461 CD PRO A 29 4.881 3.382 -3.333 1.00 0.00 C ATOM 0 HA PRO A 29 7.129 1.720 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.763 3.582 -6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.912 2.179 -5.904 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.021 4.968 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.630 3.924 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.865 4.170 -2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.098 2.672 -3.068 1.00 0.00 H new ATOM 469 N GLU A 30 8.336 3.774 -6.138 1.00 0.00 N ATOM 470 CA GLU A 30 9.369 4.722 -6.436 1.00 0.00 C ATOM 471 C GLU A 30 8.752 6.080 -6.727 1.00 0.00 C ATOM 472 O GLU A 30 9.392 7.120 -6.547 1.00 0.00 O ATOM 473 CB GLU A 30 10.272 4.234 -7.579 1.00 0.00 C ATOM 474 CG GLU A 30 11.191 3.053 -7.213 1.00 0.00 C ATOM 475 CD GLU A 30 10.459 1.780 -6.829 1.00 0.00 C ATOM 476 OE1 GLU A 30 10.096 0.999 -7.726 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.246 1.525 -5.620 1.00 0.00 O ATOM 0 H GLU A 30 8.084 3.161 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 30 10.015 4.824 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.644 3.941 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.889 5.066 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.843 2.840 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.833 3.352 -6.384 1.00 0.00 H new ATOM 484 N THR A 31 7.490 6.055 -7.129 1.00 0.00 N ATOM 485 CA THR A 31 6.721 7.255 -7.378 1.00 0.00 C ATOM 486 C THR A 31 6.528 8.064 -6.063 1.00 0.00 C ATOM 487 O THR A 31 6.532 9.295 -6.062 1.00 0.00 O ATOM 488 CB THR A 31 5.350 6.876 -7.986 1.00 0.00 C ATOM 489 OG1 THR A 31 5.564 5.988 -9.098 1.00 0.00 O ATOM 490 CG2 THR A 31 4.618 8.103 -8.489 1.00 0.00 C ATOM 0 H THR A 31 6.971 5.192 -7.291 1.00 0.00 H new ATOM 0 HA THR A 31 7.263 7.883 -8.085 1.00 0.00 H new ATOM 0 HB THR A 31 4.749 6.399 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.701 5.740 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.658 7.806 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.453 8.793 -7.661 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.216 8.594 -9.257 1.00 0.00 H new ATOM 498 N GLY A 32 6.394 7.365 -4.958 1.00 0.00 N ATOM 499 CA GLY A 32 6.252 8.030 -3.687 1.00 0.00 C ATOM 500 C GLY A 32 4.932 7.737 -3.025 1.00 0.00 C ATOM 501 O GLY A 32 4.365 6.663 -3.210 1.00 0.00 O ATOM 0 H GLY A 32 6.381 6.346 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.062 7.721 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.351 9.106 -3.831 1.00 0.00 H new ATOM 505 N GLY A 33 4.436 8.685 -2.280 1.00 0.00 N ATOM 506 CA GLY A 33 3.215 8.497 -1.554 1.00 0.00 C ATOM 507 C GLY A 33 2.200 9.549 -1.892 1.00 0.00 C ATOM 508 O GLY A 33 1.762 10.307 -1.018 1.00 0.00 O ATOM 0 H GLY A 33 4.864 9.603 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.806 7.512 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.421 8.520 -0.484 1.00 0.00 H new ATOM 512 N GLY A 34 1.822 9.603 -3.143 1.00 0.00 N ATOM 513 CA GLY A 34 0.872 10.591 -3.597 1.00 0.00 C ATOM 514 C GLY A 34 -0.513 10.018 -3.779 1.00 0.00 C ATOM 515 O GLY A 34 -1.332 10.559 -4.534 1.00 0.00 O ATOM 0 H GLY A 34 2.158 8.972 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.832 11.409 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.215 11.013 -4.542 1.00 0.00 H new TER 519 GLY A 34