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 Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HYP OD1 : rot 180:sc= -0.185 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0.675 K(o=0.67,f=-0.0062) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0.883 (180deg=0.881) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,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 180:sc= 0.0408 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 2.35 (180deg=2.26) USER MOD Single : A 21 ASN : amide:sc= -0.253 K(o=-0.25,f=-11!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= -0.0115 (180deg=-0.0992) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -0.331 7.926 -3.592 1.00 0.00 N ATOM 2 CA CYS A 1 -1.008 6.662 -3.424 1.00 0.00 C ATOM 3 C CYS A 1 -1.255 6.502 -1.939 1.00 0.00 C ATOM 4 O CYS A 1 -0.636 7.231 -1.144 1.00 0.00 O ATOM 5 CB CYS A 1 -0.137 5.506 -3.972 1.00 0.00 C ATOM 6 SG CYS A 1 -0.895 3.834 -3.878 1.00 0.00 S ATOM 0 H3 CYS A 1 -0.137 8.085 -4.601 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.947 6.637 -3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 1 0.105 5.718 -5.013 1.00 0.00 H new ATOM 0 HB3 CYS A 1 0.804 5.491 -3.422 1.00 0.00 H new ATOM 11 N ARG A 2 -2.150 5.603 -1.544 1.00 0.00 N ATOM 12 CA ARG A 2 -2.444 5.428 -0.136 1.00 0.00 C ATOM 13 C ARG A 2 -1.220 4.867 0.602 1.00 0.00 C ATOM 14 O ARG A 2 -0.396 4.157 -0.006 1.00 0.00 O ATOM 15 CB ARG A 2 -3.738 4.596 0.078 1.00 0.00 C ATOM 16 CG ARG A 2 -4.135 4.443 1.545 1.00 0.00 C ATOM 17 CD ARG A 2 -5.628 4.189 1.733 1.00 0.00 C ATOM 18 NE ARG A 2 -6.107 2.924 1.165 1.00 0.00 N ATOM 19 CZ ARG A 2 -7.288 2.771 0.544 1.00 0.00 C ATOM 20 NH1 ARG A 2 -8.026 3.828 0.221 1.00 0.00 N ATOM 21 NH2 ARG A 2 -7.707 1.561 0.230 1.00 0.00 N ATOM 0 H ARG A 2 -2.675 4.995 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.653 6.403 0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.557 5.069 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.599 3.606 -0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.573 3.619 1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.854 5.345 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.854 4.203 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.183 5.010 1.279 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.503 2.106 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.697 4.767 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.921 3.700 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.135 0.748 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.603 1.438 -0.242 1.00 0.00 H new ATOM 35 N ILE A 3 -1.097 5.244 1.892 1.00 0.00 N ATOM 36 CA ILE A 3 0.041 4.909 2.752 1.00 0.00 C ATOM 37 C ILE A 3 0.572 3.488 2.552 1.00 0.00 C ATOM 38 O ILE A 3 -0.175 2.510 2.657 1.00 0.00 O ATOM 39 CB ILE A 3 -0.261 5.142 4.260 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.534 4.389 4.705 1.00 0.00 C ATOM 41 CG2 ILE A 3 -0.367 6.627 4.547 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.854 4.514 6.181 1.00 0.00 C ATOM 0 H ILE A 3 -1.806 5.802 2.368 1.00 0.00 H new ATOM 0 HA ILE A 3 0.823 5.599 2.436 1.00 0.00 H new ATOM 0 HB ILE A 3 0.567 4.737 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.381 4.762 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.421 3.333 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.579 6.779 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.574 7.115 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.172 7.056 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.763 3.955 6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.027 4.113 6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.002 5.564 6.433 1.00 0.00 H new HETATM 54 N HYP A 4 1.875 3.345 2.263 1.00 0.00 N HETATM 55 CA HYP A 4 2.522 2.035 2.031 1.00 0.00 C HETATM 56 C HYP A 4 2.724 1.251 3.333 1.00 0.00 C HETATM 57 O HYP A 4 3.780 0.702 3.587 1.00 0.00 O HETATM 58 CB HYP A 4 3.879 2.442 1.417 1.00 0.00 C HETATM 59 CG HYP A 4 3.678 3.862 1.027 1.00 0.00 C HETATM 60 CD HYP A 4 2.860 4.425 2.106 1.00 0.00 C HETATM 61 OD1 HYP A 4 2.891 3.945 -0.153 1.00 0.00 O HETATM 0 HD23 HYP A 4 2.399 5.373 1.829 1.00 0.00 H new HETATM 0 HD22 HYP A 4 3.434 4.603 3.016 1.00 0.00 H new HETATM 0 HG HYP A 4 4.632 4.363 0.863 1.00 0.00 H new HETATM 0 HD1 HYP A 4 2.765 4.886 -0.397 1.00 0.00 H new HETATM 0 HB3 HYP A 4 4.692 2.335 2.136 1.00 0.00 H new HETATM 0 HB2 HYP A 4 4.131 1.822 0.556 1.00 0.00 H new HETATM 0 HA HYP A 4 1.928 1.374 1.400 1.00 0.00 H new ATOM 69 N ASN A 5 1.691 1.197 4.132 1.00 0.00 N ATOM 70 CA ASN A 5 1.678 0.441 5.380 1.00 0.00 C ATOM 71 C ASN A 5 0.426 -0.379 5.449 1.00 0.00 C ATOM 72 O ASN A 5 0.085 -0.941 6.488 1.00 0.00 O ATOM 73 CB ASN A 5 1.764 1.349 6.621 1.00 0.00 C ATOM 74 CG ASN A 5 3.153 1.875 6.887 1.00 0.00 C ATOM 75 OD1 ASN A 5 3.950 1.211 7.545 1.00 0.00 O ATOM 76 ND2 ASN A 5 3.448 3.065 6.443 1.00 0.00 N ATOM 0 H ASN A 5 0.814 1.682 3.940 1.00 0.00 H new ATOM 0 HA ASN A 5 2.560 -0.200 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.084 2.191 6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.422 0.792 7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.363 3.470 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.764 3.591 5.899 1.00 0.00 H new ATOM 83 N GLN A 6 -0.255 -0.450 4.341 1.00 0.00 N ATOM 84 CA GLN A 6 -1.492 -1.176 4.256 1.00 0.00 C ATOM 85 C GLN A 6 -1.217 -2.614 3.879 1.00 0.00 C ATOM 86 O GLN A 6 -0.090 -2.966 3.497 1.00 0.00 O ATOM 87 CB GLN A 6 -2.401 -0.544 3.201 1.00 0.00 C ATOM 88 CG GLN A 6 -2.817 0.886 3.487 1.00 0.00 C ATOM 89 CD GLN A 6 -3.706 1.007 4.699 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.238 1.187 5.825 1.00 0.00 O ATOM 91 NE2 GLN A 6 -4.991 0.876 4.488 1.00 0.00 N ATOM 0 H GLN A 6 0.032 -0.006 3.469 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.987 -1.140 5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.890 -0.572 2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.298 -1.155 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.926 1.496 3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.339 1.288 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.340 0.728 3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.644 0.922 5.271 1.00 0.00 H new ATOM 100 N LYS A 7 -2.218 -3.439 4.004 1.00 0.00 N ATOM 101 CA LYS A 7 -2.120 -4.796 3.576 1.00 0.00 C ATOM 102 C LYS A 7 -2.566 -4.908 2.136 1.00 0.00 C ATOM 103 O LYS A 7 -3.398 -4.127 1.683 1.00 0.00 O ATOM 104 CB LYS A 7 -2.862 -5.777 4.544 1.00 0.00 C ATOM 105 CG LYS A 7 -4.324 -5.455 4.997 1.00 0.00 C ATOM 106 CD LYS A 7 -5.404 -5.661 3.917 1.00 0.00 C ATOM 107 CE LYS A 7 -5.878 -4.353 3.283 1.00 0.00 C ATOM 108 NZ LYS A 7 -6.599 -3.464 4.229 1.00 0.00 N ATOM 0 H LYS A 7 -3.121 -3.186 4.405 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.077 -5.108 3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.876 -6.757 4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.254 -5.869 5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.568 -6.080 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.363 -4.419 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.010 -6.313 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.258 -6.173 4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.016 -3.820 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.532 -4.582 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.862 -2.582 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.458 -3.942 4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.982 -3.244 5.037 1.00 0.00 H new ATOM 122 N CYS A 8 -2.007 -5.806 1.403 1.00 0.00 N ATOM 123 CA CYS A 8 -2.401 -5.938 0.036 1.00 0.00 C ATOM 124 C CYS A 8 -2.536 -7.377 -0.353 1.00 0.00 C ATOM 125 O CYS A 8 -1.692 -8.215 -0.018 1.00 0.00 O ATOM 126 CB CYS A 8 -1.441 -5.180 -0.886 1.00 0.00 C ATOM 127 SG CYS A 8 0.316 -5.571 -0.628 1.00 0.00 S ATOM 0 H CYS A 8 -1.285 -6.454 1.717 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.385 -5.485 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.701 -5.400 -1.921 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.587 -4.110 -0.741 1.00 0.00 H new ATOM 132 N PHE A 9 -3.621 -7.675 -1.014 1.00 0.00 N ATOM 133 CA PHE A 9 -3.904 -8.995 -1.484 1.00 0.00 C ATOM 134 C PHE A 9 -4.449 -8.873 -2.883 1.00 0.00 C ATOM 135 O PHE A 9 -4.633 -7.750 -3.381 1.00 0.00 O ATOM 136 CB PHE A 9 -4.928 -9.700 -0.573 1.00 0.00 C ATOM 137 CG PHE A 9 -4.487 -9.879 0.860 1.00 0.00 C ATOM 138 CD1 PHE A 9 -3.715 -10.967 1.227 1.00 0.00 C ATOM 139 CD2 PHE A 9 -4.845 -8.959 1.838 1.00 0.00 C ATOM 140 CE1 PHE A 9 -3.307 -11.135 2.535 1.00 0.00 C ATOM 141 CE2 PHE A 9 -4.438 -9.125 3.147 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.668 -10.212 3.496 1.00 0.00 C ATOM 0 H PHE A 9 -4.343 -6.992 -1.243 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.995 -9.596 -1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.856 -9.128 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.153 -10.680 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.428 -11.694 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.449 -8.104 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.705 -11.989 2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.724 -8.402 3.897 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.347 -10.342 4.519 1.00 0.00 H new ATOM 152 N GLN A 10 -4.716 -9.985 -3.508 1.00 0.00 N ATOM 153 CA GLN A 10 -5.232 -9.989 -4.858 1.00 0.00 C ATOM 154 C GLN A 10 -6.676 -9.508 -4.878 1.00 0.00 C ATOM 155 O GLN A 10 -7.032 -8.606 -5.633 1.00 0.00 O ATOM 156 CB GLN A 10 -5.134 -11.385 -5.455 1.00 0.00 C ATOM 157 CG GLN A 10 -3.716 -11.909 -5.579 1.00 0.00 C ATOM 158 CD GLN A 10 -3.671 -13.310 -6.142 1.00 0.00 C ATOM 159 OE1 GLN A 10 -3.609 -13.504 -7.345 1.00 0.00 O ATOM 160 NE2 GLN A 10 -3.698 -14.293 -5.285 1.00 0.00 N ATOM 0 H GLN A 10 -4.585 -10.912 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.632 -9.307 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.711 -12.073 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.595 -11.379 -6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.139 -11.243 -6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.240 -11.898 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.750 -14.097 -4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.667 -15.258 -5.614 1.00 0.00 H new ATOM 169 N HIS A 11 -7.486 -10.082 -4.015 1.00 0.00 N ATOM 170 CA HIS A 11 -8.900 -9.745 -3.937 1.00 0.00 C ATOM 171 C HIS A 11 -9.141 -8.575 -2.997 1.00 0.00 C ATOM 172 O HIS A 11 -10.149 -7.882 -3.098 1.00 0.00 O ATOM 173 CB HIS A 11 -9.733 -10.962 -3.514 1.00 0.00 C ATOM 174 CG HIS A 11 -9.725 -12.074 -4.517 1.00 0.00 C ATOM 175 ND1 HIS A 11 -9.201 -13.334 -4.286 1.00 0.00 N ATOM 176 CD2 HIS A 11 -10.226 -12.107 -5.774 1.00 0.00 C ATOM 177 CE1 HIS A 11 -9.398 -14.073 -5.381 1.00 0.00 C ATOM 178 NE2 HIS A 11 -10.017 -13.368 -6.320 1.00 0.00 N ATOM 0 H HIS A 11 -7.189 -10.794 -3.348 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.220 -9.442 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.354 -11.339 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -10.762 -10.646 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.712 -11.283 -6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -9.095 -15.104 -5.488 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -10.284 -13.686 -7.251 1.00 0.00 H new ATOM 186 N LEU A 12 -8.234 -8.375 -2.072 1.00 0.00 N ATOM 187 CA LEU A 12 -8.322 -7.245 -1.175 1.00 0.00 C ATOM 188 C LEU A 12 -7.321 -6.207 -1.615 1.00 0.00 C ATOM 189 O LEU A 12 -6.153 -6.204 -1.188 1.00 0.00 O ATOM 190 CB LEU A 12 -8.122 -7.611 0.320 1.00 0.00 C ATOM 191 CG LEU A 12 -9.179 -8.517 0.997 1.00 0.00 C ATOM 192 CD1 LEU A 12 -9.148 -9.946 0.464 1.00 0.00 C ATOM 193 CD2 LEU A 12 -8.993 -8.507 2.503 1.00 0.00 C ATOM 0 H LEU A 12 -7.426 -8.979 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.337 -6.854 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.153 -8.100 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.068 -6.681 0.886 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.159 -8.108 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.908 -10.540 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.348 -9.939 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.166 -10.381 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.743 -9.148 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.997 -8.876 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.105 -7.489 2.877 1.00 0.00 H new ATOM 205 N ASP A 13 -7.755 -5.386 -2.519 1.00 0.00 N ATOM 206 CA ASP A 13 -6.923 -4.373 -3.120 1.00 0.00 C ATOM 207 C ASP A 13 -7.033 -3.084 -2.326 1.00 0.00 C ATOM 208 O ASP A 13 -8.096 -2.451 -2.305 1.00 0.00 O ATOM 209 CB ASP A 13 -7.376 -4.154 -4.557 1.00 0.00 C ATOM 210 CG ASP A 13 -6.477 -3.239 -5.323 1.00 0.00 C ATOM 211 OD1 ASP A 13 -5.375 -3.666 -5.676 1.00 0.00 O ATOM 212 OD2 ASP A 13 -6.863 -2.086 -5.615 1.00 0.00 O ATOM 0 H ASP A 13 -8.712 -5.395 -2.871 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.881 -4.693 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.425 -5.116 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.386 -3.743 -4.555 1.00 0.00 H new ATOM 217 N ASP A 14 -5.971 -2.713 -1.645 1.00 0.00 N ATOM 218 CA ASP A 14 -6.005 -1.521 -0.793 1.00 0.00 C ATOM 219 C ASP A 14 -5.094 -0.440 -1.366 1.00 0.00 C ATOM 220 O ASP A 14 -5.514 0.689 -1.590 1.00 0.00 O ATOM 221 CB ASP A 14 -5.546 -1.873 0.630 1.00 0.00 C ATOM 222 CG ASP A 14 -5.977 -0.861 1.685 1.00 0.00 C ATOM 223 OD1 ASP A 14 -5.504 0.285 1.688 1.00 0.00 O ATOM 224 OD2 ASP A 14 -6.839 -1.212 2.529 1.00 0.00 O ATOM 0 H ASP A 14 -5.078 -3.206 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.029 -1.149 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.942 -2.853 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.459 -1.954 0.641 1.00 0.00 H new ATOM 229 N CYS A 15 -3.864 -0.801 -1.626 1.00 0.00 N ATOM 230 CA CYS A 15 -2.894 0.131 -2.164 1.00 0.00 C ATOM 231 C CYS A 15 -2.966 0.174 -3.671 1.00 0.00 C ATOM 232 O CYS A 15 -2.970 -0.868 -4.328 1.00 0.00 O ATOM 233 CB CYS A 15 -1.492 -0.267 -1.738 1.00 0.00 C ATOM 234 SG CYS A 15 -1.271 -0.340 0.051 1.00 0.00 S ATOM 0 H CYS A 15 -3.503 -1.743 -1.474 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.127 1.121 -1.773 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.255 -1.242 -2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.779 0.445 -2.155 1.00 0.00 H new ATOM 239 N CYS A 16 -2.972 1.379 -4.205 1.00 0.00 N ATOM 240 CA CYS A 16 -3.039 1.637 -5.644 1.00 0.00 C ATOM 241 C CYS A 16 -1.849 1.069 -6.380 1.00 0.00 C ATOM 242 O CYS A 16 -1.921 0.771 -7.560 1.00 0.00 O ATOM 243 CB CYS A 16 -3.081 3.133 -5.887 1.00 0.00 C ATOM 244 SG CYS A 16 -2.846 4.130 -4.370 1.00 0.00 S ATOM 0 H CYS A 16 -2.930 2.230 -3.645 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.940 1.152 -6.019 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.308 3.397 -6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.039 3.393 -6.337 1.00 0.00 H new ATOM 249 N SER A 17 -0.759 0.929 -5.687 1.00 0.00 N ATOM 250 CA SER A 17 0.439 0.459 -6.283 1.00 0.00 C ATOM 251 C SER A 17 0.427 -1.069 -6.478 1.00 0.00 C ATOM 252 O SER A 17 0.922 -1.590 -7.485 1.00 0.00 O ATOM 253 CB SER A 17 1.598 0.893 -5.402 1.00 0.00 C ATOM 254 OG SER A 17 1.328 0.552 -4.030 1.00 0.00 O ATOM 0 H SER A 17 -0.683 1.140 -4.692 1.00 0.00 H new ATOM 0 HA SER A 17 0.541 0.887 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.517 0.409 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.753 1.968 -5.494 1.00 0.00 H new ATOM 0 HG SER A 17 2.080 0.833 -3.469 1.00 0.00 H new ATOM 260 N ARG A 18 -0.189 -1.772 -5.511 1.00 0.00 N ATOM 261 CA ARG A 18 -0.196 -3.254 -5.433 1.00 0.00 C ATOM 262 C ARG A 18 1.216 -3.793 -5.270 1.00 0.00 C ATOM 263 O ARG A 18 1.470 -4.986 -5.490 1.00 0.00 O ATOM 264 CB ARG A 18 -0.895 -3.963 -6.626 1.00 0.00 C ATOM 265 CG ARG A 18 -2.380 -3.696 -6.753 1.00 0.00 C ATOM 266 CD ARG A 18 -2.667 -2.369 -7.410 1.00 0.00 C ATOM 267 NE ARG A 18 -4.066 -2.008 -7.304 1.00 0.00 N ATOM 268 CZ ARG A 18 -4.687 -1.094 -8.041 1.00 0.00 C ATOM 269 NH1 ARG A 18 -4.124 -0.624 -9.148 1.00 0.00 N ATOM 270 NH2 ARG A 18 -5.900 -0.707 -7.699 1.00 0.00 N ATOM 0 H ARG A 18 -0.703 -1.327 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.794 -3.486 -4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.406 -3.653 -7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.742 -5.038 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.842 -4.494 -7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.837 -3.716 -5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.056 -1.594 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.382 -2.414 -8.461 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.622 -2.498 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.208 -0.965 -9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.608 0.078 -9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.351 -1.109 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.388 -0.006 -8.257 1.00 0.00 H new ATOM 284 N LYS A 19 2.113 -2.925 -4.846 1.00 0.00 N ATOM 285 CA LYS A 19 3.485 -3.281 -4.652 1.00 0.00 C ATOM 286 C LYS A 19 3.606 -3.845 -3.259 1.00 0.00 C ATOM 287 O LYS A 19 3.591 -3.104 -2.267 1.00 0.00 O ATOM 288 CB LYS A 19 4.384 -2.055 -4.837 1.00 0.00 C ATOM 289 CG LYS A 19 5.871 -2.362 -4.883 1.00 0.00 C ATOM 290 CD LYS A 19 6.680 -1.087 -5.047 1.00 0.00 C ATOM 291 CE LYS A 19 8.174 -1.363 -5.056 1.00 0.00 C ATOM 292 NZ LYS A 19 8.959 -0.118 -5.184 1.00 0.00 N ATOM 0 H LYS A 19 1.899 -1.952 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 19 3.805 -4.022 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.102 -1.550 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.196 -1.356 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.170 -2.873 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.081 -3.040 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.396 -0.594 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.442 -0.399 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.455 -1.877 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.416 -2.032 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.969 -0.329 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.812 0.289 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.650 0.563 -4.462 1.00 0.00 H new ATOM 306 N CYS A 20 3.661 -5.131 -3.192 1.00 0.00 N ATOM 307 CA CYS A 20 3.637 -5.837 -1.949 1.00 0.00 C ATOM 308 C CYS A 20 4.982 -6.429 -1.642 1.00 0.00 C ATOM 309 O CYS A 20 5.721 -6.830 -2.547 1.00 0.00 O ATOM 310 CB CYS A 20 2.596 -6.950 -2.019 1.00 0.00 C ATOM 311 SG CYS A 20 0.910 -6.372 -2.388 1.00 0.00 S ATOM 0 H CYS A 20 3.725 -5.735 -4.011 1.00 0.00 H new ATOM 0 HA CYS A 20 3.380 -5.134 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.898 -7.667 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.585 -7.483 -1.068 1.00 0.00 H new ATOM 316 N ASN A 21 5.311 -6.464 -0.387 1.00 0.00 N ATOM 317 CA ASN A 21 6.527 -7.087 0.065 1.00 0.00 C ATOM 318 C ASN A 21 6.247 -8.540 0.444 1.00 0.00 C ATOM 319 O ASN A 21 5.104 -9.010 0.342 1.00 0.00 O ATOM 320 CB ASN A 21 7.163 -6.311 1.254 1.00 0.00 C ATOM 321 CG ASN A 21 6.277 -6.164 2.491 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.402 -6.979 2.758 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.524 -5.144 3.266 1.00 0.00 N ATOM 0 H ASN A 21 4.744 -6.061 0.359 1.00 0.00 H new ATOM 0 HA ASN A 21 7.250 -7.064 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.083 -6.817 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.443 -5.316 0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.982 -5.009 4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.259 -4.481 3.018 1.00 0.00 H new ATOM 330 N ARG A 22 7.266 -9.233 0.917 1.00 0.00 N ATOM 331 CA ARG A 22 7.169 -10.649 1.327 1.00 0.00 C ATOM 332 C ARG A 22 6.300 -10.849 2.575 1.00 0.00 C ATOM 333 O ARG A 22 6.079 -11.969 3.013 1.00 0.00 O ATOM 334 CB ARG A 22 8.562 -11.230 1.567 1.00 0.00 C ATOM 335 CG ARG A 22 9.359 -10.508 2.638 1.00 0.00 C ATOM 336 CD ARG A 22 10.768 -11.040 2.717 1.00 0.00 C ATOM 337 NE ARG A 22 11.600 -10.281 3.655 1.00 0.00 N ATOM 338 CZ ARG A 22 12.942 -10.255 3.629 1.00 0.00 C ATOM 339 NH1 ARG A 22 13.609 -11.022 2.765 1.00 0.00 N ATOM 340 NH2 ARG A 22 13.612 -9.475 4.480 1.00 0.00 N ATOM 0 H ARG A 22 8.199 -8.838 1.034 1.00 0.00 H new ATOM 0 HA ARG A 22 6.683 -11.179 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.463 -12.279 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.122 -11.202 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.382 -9.440 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.867 -10.627 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.742 -12.086 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.221 -11.009 1.726 1.00 0.00 H new ATOM 0 HE ARG A 22 11.128 -9.736 4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.099 -11.629 2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.629 -11.001 2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.104 -8.898 5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.632 -9.456 4.460 1.00 0.00 H new ATOM 354 N PHE A 23 5.816 -9.770 3.132 1.00 0.00 N ATOM 355 CA PHE A 23 4.978 -9.815 4.302 1.00 0.00 C ATOM 356 C PHE A 23 3.536 -9.517 3.927 1.00 0.00 C ATOM 357 O PHE A 23 2.665 -9.406 4.799 1.00 0.00 O ATOM 358 CB PHE A 23 5.464 -8.804 5.327 1.00 0.00 C ATOM 359 CG PHE A 23 6.840 -9.079 5.836 1.00 0.00 C ATOM 360 CD1 PHE A 23 7.055 -10.105 6.725 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.920 -8.317 5.418 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.310 -10.376 7.197 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.185 -8.582 5.889 1.00 0.00 C ATOM 364 CZ PHE A 23 9.381 -9.615 6.779 1.00 0.00 C ATOM 0 H PHE A 23 5.993 -8.828 2.784 1.00 0.00 H new ATOM 0 HA PHE A 23 5.031 -10.815 4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.443 -7.809 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.771 -8.791 6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.221 -10.706 7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.767 -7.509 4.717 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.462 -11.185 7.896 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.022 -7.982 5.562 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.373 -9.829 7.149 1.00 0.00 H new ATOM 374 N ASN A 24 3.298 -9.380 2.610 1.00 0.00 N ATOM 375 CA ASN A 24 1.965 -9.081 2.039 1.00 0.00 C ATOM 376 C ASN A 24 1.491 -7.695 2.448 1.00 0.00 C ATOM 377 O ASN A 24 0.280 -7.399 2.468 1.00 0.00 O ATOM 378 CB ASN A 24 0.911 -10.154 2.398 1.00 0.00 C ATOM 379 CG ASN A 24 1.200 -11.513 1.792 1.00 0.00 C ATOM 380 OD1 ASN A 24 0.795 -11.800 0.660 1.00 0.00 O ATOM 381 ND2 ASN A 24 1.857 -12.372 2.533 1.00 0.00 N ATOM 0 H ASN A 24 4.028 -9.474 1.904 1.00 0.00 H new ATOM 0 HA ASN A 24 2.079 -9.100 0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.859 -10.252 3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.069 -9.816 2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.048 -13.309 2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.177 -12.103 3.463 1.00 0.00 H new ATOM 388 N LYS A 25 2.445 -6.851 2.764 1.00 0.00 N ATOM 389 CA LYS A 25 2.189 -5.475 3.102 1.00 0.00 C ATOM 390 C LYS A 25 2.654 -4.633 1.945 1.00 0.00 C ATOM 391 O LYS A 25 3.531 -5.059 1.184 1.00 0.00 O ATOM 392 CB LYS A 25 2.969 -5.064 4.360 1.00 0.00 C ATOM 393 CG LYS A 25 2.607 -5.811 5.638 1.00 0.00 C ATOM 394 CD LYS A 25 1.168 -5.555 6.057 1.00 0.00 C ATOM 395 CE LYS A 25 0.863 -6.195 7.405 1.00 0.00 C ATOM 396 NZ LYS A 25 1.057 -7.665 7.396 1.00 0.00 N ATOM 0 H LYS A 25 3.432 -7.106 2.793 1.00 0.00 H new ATOM 0 HA LYS A 25 1.126 -5.338 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.033 -5.206 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.815 -3.998 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.757 -6.880 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.279 -5.505 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.989 -4.481 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.491 -5.953 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.505 -5.752 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.166 -5.970 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.709 -8.067 8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.530 -8.080 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.069 -7.881 7.291 1.00 0.00 H new ATOM 410 N CYS A 26 2.090 -3.483 1.795 1.00 0.00 N ATOM 411 CA CYS A 26 2.483 -2.590 0.733 1.00 0.00 C ATOM 412 C CYS A 26 3.833 -1.962 1.049 1.00 0.00 C ATOM 413 O CYS A 26 4.193 -1.799 2.222 1.00 0.00 O ATOM 414 CB CYS A 26 1.453 -1.485 0.575 1.00 0.00 C ATOM 415 SG CYS A 26 -0.250 -2.060 0.320 1.00 0.00 S ATOM 0 H CYS A 26 1.347 -3.127 2.396 1.00 0.00 H new ATOM 0 HA CYS A 26 2.553 -3.163 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.479 -0.854 1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.740 -0.858 -0.269 1.00 0.00 H new ATOM 420 N VAL A 27 4.586 -1.663 0.027 1.00 0.00 N ATOM 421 CA VAL A 27 5.838 -0.950 0.170 1.00 0.00 C ATOM 422 C VAL A 27 5.817 0.310 -0.667 1.00 0.00 C ATOM 423 O VAL A 27 4.834 0.554 -1.381 1.00 0.00 O ATOM 424 CB VAL A 27 7.094 -1.809 -0.149 1.00 0.00 C ATOM 425 CG1 VAL A 27 7.379 -2.767 0.982 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.920 -2.582 -1.441 1.00 0.00 C ATOM 0 H VAL A 27 4.353 -1.906 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 27 5.925 -0.689 1.225 1.00 0.00 H new ATOM 0 HB VAL A 27 7.937 -1.128 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.261 -3.361 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.558 -2.205 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.524 -3.428 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.816 -3.172 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.060 -3.246 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.760 -1.885 -2.263 1.00 0.00 H new ATOM 436 N LEU A 28 6.873 1.100 -0.561 1.00 0.00 N ATOM 437 CA LEU A 28 6.988 2.387 -1.239 1.00 0.00 C ATOM 438 C LEU A 28 6.846 2.234 -2.754 1.00 0.00 C ATOM 439 O LEU A 28 7.627 1.510 -3.385 1.00 0.00 O ATOM 440 CB LEU A 28 8.347 3.021 -0.917 1.00 0.00 C ATOM 441 CG LEU A 28 8.637 4.396 -1.535 1.00 0.00 C ATOM 442 CD1 LEU A 28 7.747 5.468 -0.938 1.00 0.00 C ATOM 443 CD2 LEU A 28 10.099 4.759 -1.355 1.00 0.00 C ATOM 0 H LEU A 28 7.688 0.865 0.006 1.00 0.00 H new ATOM 0 HA LEU A 28 6.182 3.029 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.431 3.112 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.128 2.332 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 28 8.418 4.337 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.978 6.429 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.702 5.218 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.920 5.528 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.288 5.736 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.338 4.790 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.723 4.011 -1.845 1.00 0.00 H new ATOM 455 N PRO A 29 5.841 2.891 -3.349 1.00 0.00 N ATOM 456 CA PRO A 29 5.629 2.867 -4.786 1.00 0.00 C ATOM 457 C PRO A 29 6.663 3.734 -5.498 1.00 0.00 C ATOM 458 O PRO A 29 7.395 4.513 -4.848 1.00 0.00 O ATOM 459 CB PRO A 29 4.232 3.469 -4.944 1.00 0.00 C ATOM 460 CG PRO A 29 4.072 4.363 -3.773 1.00 0.00 C ATOM 461 CD PRO A 29 4.831 3.712 -2.655 1.00 0.00 C ATOM 0 HA PRO A 29 5.721 1.869 -5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.143 4.022 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.466 2.694 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.464 5.358 -3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.020 4.483 -3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.296 4.451 -2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.179 3.101 -2.031 1.00 0.00 H new ATOM 469 N GLU A 30 6.695 3.660 -6.817 1.00 0.00 N ATOM 470 CA GLU A 30 7.683 4.398 -7.608 1.00 0.00 C ATOM 471 C GLU A 30 7.398 5.901 -7.540 1.00 0.00 C ATOM 472 O GLU A 30 8.244 6.723 -7.883 1.00 0.00 O ATOM 473 CB GLU A 30 7.692 3.939 -9.069 1.00 0.00 C ATOM 474 CG GLU A 30 7.677 2.428 -9.271 1.00 0.00 C ATOM 475 CD GLU A 30 8.689 1.669 -8.440 1.00 0.00 C ATOM 476 OE1 GLU A 30 9.881 1.629 -8.792 1.00 0.00 O ATOM 477 OE2 GLU A 30 8.289 1.047 -7.439 1.00 0.00 O ATOM 0 H GLU A 30 6.049 3.097 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 30 8.666 4.193 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.825 4.366 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.578 4.347 -9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.681 2.054 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.858 2.214 -10.324 1.00 0.00 H new ATOM 484 N THR A 31 6.184 6.216 -7.095 1.00 0.00 N ATOM 485 CA THR A 31 5.699 7.560 -6.864 1.00 0.00 C ATOM 486 C THR A 31 5.224 8.226 -8.156 1.00 0.00 C ATOM 487 O THR A 31 6.010 8.483 -9.080 1.00 0.00 O ATOM 488 CB THR A 31 6.718 8.442 -6.087 1.00 0.00 C ATOM 489 OG1 THR A 31 7.138 7.734 -4.891 1.00 0.00 O ATOM 490 CG2 THR A 31 6.090 9.767 -5.673 1.00 0.00 C ATOM 0 H THR A 31 5.486 5.504 -6.878 1.00 0.00 H new ATOM 0 HA THR A 31 4.827 7.465 -6.216 1.00 0.00 H new ATOM 0 HB THR A 31 7.568 8.644 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.782 8.282 -4.396 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.824 10.364 -5.132 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.765 10.309 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.231 9.577 -5.030 1.00 0.00 H new ATOM 498 N GLY A 32 3.932 8.440 -8.222 1.00 0.00 N ATOM 499 CA GLY A 32 3.316 9.080 -9.349 1.00 0.00 C ATOM 500 C GLY A 32 2.175 9.939 -8.884 1.00 0.00 C ATOM 501 O GLY A 32 1.007 9.624 -9.113 1.00 0.00 O ATOM 0 H GLY A 32 3.277 8.171 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.049 9.688 -9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.955 8.330 -10.053 1.00 0.00 H new ATOM 505 N GLY A 33 2.506 10.986 -8.174 1.00 0.00 N ATOM 506 CA GLY A 33 1.507 11.879 -7.643 1.00 0.00 C ATOM 507 C GLY A 33 1.192 11.554 -6.206 1.00 0.00 C ATOM 508 O GLY A 33 1.479 12.345 -5.299 1.00 0.00 O ATOM 0 H GLY A 33 3.467 11.243 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.859 12.908 -7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.599 11.810 -8.242 1.00 0.00 H new ATOM 512 N GLY A 34 0.629 10.395 -5.986 1.00 0.00 N ATOM 513 CA GLY A 34 0.315 9.962 -4.655 1.00 0.00 C ATOM 514 C GLY A 34 -0.423 8.651 -4.665 1.00 0.00 C ATOM 515 O GLY A 34 -1.051 8.299 -5.665 1.00 0.00 O ATOM 0 H GLY A 34 0.378 9.732 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.234 9.860 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.291 10.719 -4.158 1.00 0.00 H new TER 519 GLY A 34