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= 0.685 K(o=1.9,f=-8.1!) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.09) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00532) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 11 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=-0.046) USER MOD Single : A 17 SER OG : rot 110:sc= -0.678 USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.73) USER MOD Single : A 21 ASN : amide:sc= -0.369 K(o=-0.37,f=-10!) USER MOD Single : A 24 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.134 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.898 8.181 -2.010 1.00 0.00 N ATOM 2 CA CYS A 1 0.512 7.836 -2.199 1.00 0.00 C ATOM 3 C CYS A 1 -0.014 7.234 -0.886 1.00 0.00 C ATOM 4 O CYS A 1 0.456 7.625 0.185 1.00 0.00 O ATOM 5 CB CYS A 1 0.397 6.845 -3.370 1.00 0.00 C ATOM 6 SG CYS A 1 -1.300 6.662 -4.028 1.00 0.00 S ATOM 0 H3 CYS A 1 2.276 8.591 -2.888 1.00 0.00 H new ATOM 0 HA CYS A 1 -0.088 8.712 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.054 7.173 -4.175 1.00 0.00 H new ATOM 0 HB3 CYS A 1 0.756 5.869 -3.043 1.00 0.00 H new ATOM 11 N ARG A 2 -0.992 6.324 -0.956 1.00 0.00 N ATOM 12 CA ARG A 2 -1.557 5.694 0.233 1.00 0.00 C ATOM 13 C ARG A 2 -0.451 4.960 1.016 1.00 0.00 C ATOM 14 O ARG A 2 0.315 4.183 0.425 1.00 0.00 O ATOM 15 CB ARG A 2 -2.686 4.723 -0.161 1.00 0.00 C ATOM 16 CG ARG A 2 -3.436 4.117 1.022 1.00 0.00 C ATOM 17 CD ARG A 2 -3.389 2.610 0.969 1.00 0.00 C ATOM 18 NE ARG A 2 -2.001 2.142 0.976 1.00 0.00 N ATOM 19 CZ ARG A 2 -1.562 1.048 0.399 1.00 0.00 C ATOM 20 NH1 ARG A 2 -2.422 0.115 -0.003 1.00 0.00 N ATOM 21 NH2 ARG A 2 -0.249 0.857 0.292 1.00 0.00 N ATOM 0 H ARG A 2 -1.408 6.009 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.982 6.465 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.398 5.251 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.263 3.916 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.996 4.467 1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.473 4.454 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.924 2.193 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.895 2.255 0.071 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.318 2.715 1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.423 0.250 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.080 -0.735 -0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.399 1.555 0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.109 0.012 -0.154 1.00 0.00 H new ATOM 35 N ILE A 3 -0.430 5.171 2.335 1.00 0.00 N ATOM 36 CA ILE A 3 0.628 4.671 3.244 1.00 0.00 C ATOM 37 C ILE A 3 1.021 3.179 3.019 1.00 0.00 C ATOM 38 O ILE A 3 0.153 2.308 2.883 1.00 0.00 O ATOM 39 CB ILE A 3 0.275 4.917 4.736 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.074 4.268 5.104 1.00 0.00 C ATOM 41 CG2 ILE A 3 0.257 6.416 5.024 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.458 4.414 6.565 1.00 0.00 C ATOM 0 H ILE A 3 -1.155 5.702 2.818 1.00 0.00 H new ATOM 0 HA ILE A 3 1.508 5.260 2.985 1.00 0.00 H new ATOM 0 HB ILE A 3 1.041 4.450 5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.857 4.711 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.034 3.208 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.009 6.582 6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.239 6.839 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.490 6.899 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.419 3.930 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.698 3.945 7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.533 5.472 6.817 1.00 0.00 H new HETATM 54 N HYP A 4 2.332 2.864 2.996 1.00 0.00 N HETATM 55 CA HYP A 4 2.847 1.516 2.691 1.00 0.00 C HETATM 56 C HYP A 4 2.869 0.578 3.911 1.00 0.00 C HETATM 57 O HYP A 4 3.844 -0.140 4.135 1.00 0.00 O HETATM 58 CB HYP A 4 4.299 1.797 2.230 1.00 0.00 C HETATM 59 CG HYP A 4 4.506 3.268 2.373 1.00 0.00 C HETATM 60 CD HYP A 4 3.445 3.775 3.280 1.00 0.00 C HETATM 61 OD1 HYP A 4 4.352 3.910 1.119 1.00 0.00 O HETATM 0 HD23 HYP A 4 3.187 4.812 3.065 1.00 0.00 H new HETATM 0 HD22 HYP A 4 3.749 3.732 4.326 1.00 0.00 H new HETATM 0 HG HYP A 4 5.506 3.467 2.758 1.00 0.00 H new HETATM 0 HD1 HYP A 4 4.488 4.874 1.226 1.00 0.00 H new HETATM 0 HB3 HYP A 4 5.014 1.243 2.838 1.00 0.00 H new HETATM 0 HB2 HYP A 4 4.447 1.482 1.197 1.00 0.00 H new HETATM 0 HA HYP A 4 2.219 1.009 1.959 1.00 0.00 H new ATOM 69 N ASN A 5 1.792 0.538 4.657 1.00 0.00 N ATOM 70 CA ASN A 5 1.729 -0.352 5.831 1.00 0.00 C ATOM 71 C ASN A 5 0.368 -1.022 5.881 1.00 0.00 C ATOM 72 O ASN A 5 -0.026 -1.645 6.869 1.00 0.00 O ATOM 73 CB ASN A 5 2.019 0.425 7.138 1.00 0.00 C ATOM 74 CG ASN A 5 2.205 -0.478 8.366 1.00 0.00 C ATOM 75 OD1 ASN A 5 2.671 -1.615 8.265 1.00 0.00 O ATOM 76 ND2 ASN A 5 1.858 0.019 9.526 1.00 0.00 N ATOM 0 H ASN A 5 0.952 1.093 4.492 1.00 0.00 H new ATOM 0 HA ASN A 5 2.498 -1.118 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.918 1.026 7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.199 1.117 7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.971 -0.537 10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.475 0.963 9.583 1.00 0.00 H new ATOM 83 N GLN A 6 -0.340 -0.917 4.795 1.00 0.00 N ATOM 84 CA GLN A 6 -1.640 -1.511 4.705 1.00 0.00 C ATOM 85 C GLN A 6 -1.480 -2.915 4.175 1.00 0.00 C ATOM 86 O GLN A 6 -0.631 -3.155 3.316 1.00 0.00 O ATOM 87 CB GLN A 6 -2.549 -0.689 3.792 1.00 0.00 C ATOM 88 CG GLN A 6 -2.711 0.767 4.217 1.00 0.00 C ATOM 89 CD GLN A 6 -3.230 0.917 5.632 1.00 0.00 C ATOM 90 OE1 GLN A 6 -2.459 0.989 6.587 1.00 0.00 O ATOM 91 NE2 GLN A 6 -4.523 0.981 5.780 1.00 0.00 N ATOM 0 H GLN A 6 -0.037 -0.423 3.956 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.106 -1.536 5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.149 -0.718 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.532 -1.158 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.749 1.273 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.395 1.266 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.133 0.918 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.925 1.094 6.711 1.00 0.00 H new ATOM 100 N LYS A 7 -2.243 -3.830 4.701 1.00 0.00 N ATOM 101 CA LYS A 7 -2.185 -5.217 4.285 1.00 0.00 C ATOM 102 C LYS A 7 -2.779 -5.405 2.914 1.00 0.00 C ATOM 103 O LYS A 7 -3.778 -4.770 2.565 1.00 0.00 O ATOM 104 CB LYS A 7 -2.918 -6.116 5.285 1.00 0.00 C ATOM 105 CG LYS A 7 -2.166 -6.386 6.584 1.00 0.00 C ATOM 106 CD LYS A 7 -0.875 -7.167 6.339 1.00 0.00 C ATOM 107 CE LYS A 7 -1.125 -8.491 5.610 1.00 0.00 C ATOM 108 NZ LYS A 7 -1.993 -9.414 6.372 1.00 0.00 N ATOM 0 H LYS A 7 -2.928 -3.643 5.433 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.133 -5.500 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.877 -5.658 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.133 -7.070 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.932 -5.440 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.806 -6.946 7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.189 -6.556 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.387 -7.367 7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.583 -8.286 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.170 -8.978 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.099 -10.305 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.564 -9.609 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.928 -8.979 6.508 1.00 0.00 H new ATOM 122 N CYS A 8 -2.180 -6.248 2.134 1.00 0.00 N ATOM 123 CA CYS A 8 -2.721 -6.546 0.844 1.00 0.00 C ATOM 124 C CYS A 8 -3.054 -8.015 0.773 1.00 0.00 C ATOM 125 O CYS A 8 -2.647 -8.796 1.643 1.00 0.00 O ATOM 126 CB CYS A 8 -1.754 -6.134 -0.269 1.00 0.00 C ATOM 127 SG CYS A 8 -0.098 -6.853 -0.114 1.00 0.00 S ATOM 0 H CYS A 8 -1.318 -6.742 2.366 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.635 -5.971 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.177 -6.427 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.667 -5.047 -0.277 1.00 0.00 H new ATOM 132 N PHE A 9 -3.840 -8.379 -0.193 1.00 0.00 N ATOM 133 CA PHE A 9 -4.209 -9.751 -0.419 1.00 0.00 C ATOM 134 C PHE A 9 -4.075 -9.982 -1.894 1.00 0.00 C ATOM 135 O PHE A 9 -4.125 -9.012 -2.666 1.00 0.00 O ATOM 136 CB PHE A 9 -5.672 -10.022 0.016 1.00 0.00 C ATOM 137 CG PHE A 9 -5.968 -9.861 1.495 1.00 0.00 C ATOM 138 CD1 PHE A 9 -6.087 -8.603 2.071 1.00 0.00 C ATOM 139 CD2 PHE A 9 -6.147 -10.970 2.298 1.00 0.00 C ATOM 140 CE1 PHE A 9 -6.372 -8.459 3.409 1.00 0.00 C ATOM 141 CE2 PHE A 9 -6.440 -10.830 3.640 1.00 0.00 C ATOM 142 CZ PHE A 9 -6.553 -9.572 4.192 1.00 0.00 C ATOM 0 H PHE A 9 -4.252 -7.725 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.572 -10.417 0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.326 -9.350 -0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.935 -11.038 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.954 -7.723 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.057 -11.958 1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.453 -7.473 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.581 -11.705 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.784 -9.462 5.241 1.00 0.00 H new ATOM 152 N GLN A 10 -3.933 -11.223 -2.309 1.00 0.00 N ATOM 153 CA GLN A 10 -3.791 -11.550 -3.728 1.00 0.00 C ATOM 154 C GLN A 10 -5.046 -11.136 -4.494 1.00 0.00 C ATOM 155 O GLN A 10 -4.997 -10.800 -5.678 1.00 0.00 O ATOM 156 CB GLN A 10 -3.537 -13.052 -3.927 1.00 0.00 C ATOM 157 CG GLN A 10 -4.694 -13.956 -3.532 1.00 0.00 C ATOM 158 CD GLN A 10 -4.443 -15.392 -3.894 1.00 0.00 C ATOM 159 OE1 GLN A 10 -3.311 -15.855 -3.906 1.00 0.00 O ATOM 160 NE2 GLN A 10 -5.480 -16.098 -4.218 1.00 0.00 N ATOM 0 H GLN A 10 -3.912 -12.031 -1.687 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.933 -11.000 -4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.298 -13.229 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.659 -13.337 -3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.863 -13.878 -2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.605 -13.613 -4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.410 -15.679 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.367 -17.073 -4.495 1.00 0.00 H new ATOM 169 N HIS A 11 -6.143 -11.113 -3.775 1.00 0.00 N ATOM 170 CA HIS A 11 -7.440 -10.810 -4.319 1.00 0.00 C ATOM 171 C HIS A 11 -7.952 -9.465 -3.816 1.00 0.00 C ATOM 172 O HIS A 11 -9.137 -9.169 -3.930 1.00 0.00 O ATOM 173 CB HIS A 11 -8.428 -11.938 -3.950 1.00 0.00 C ATOM 174 CG HIS A 11 -8.547 -12.217 -2.470 1.00 0.00 C ATOM 175 ND1 HIS A 11 -7.929 -13.275 -1.836 1.00 0.00 N ATOM 176 CD2 HIS A 11 -9.242 -11.562 -1.508 1.00 0.00 C ATOM 177 CE1 HIS A 11 -8.259 -13.234 -0.542 1.00 0.00 C ATOM 178 NE2 HIS A 11 -9.058 -12.209 -0.289 1.00 0.00 N ATOM 0 H HIS A 11 -6.156 -11.309 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 11 -7.355 -10.743 -5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.414 -11.680 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.117 -12.853 -4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -9.843 -10.678 -1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -7.919 -13.943 0.199 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -9.456 -11.947 0.613 1.00 0.00 H new ATOM 186 N LEU A 12 -7.080 -8.645 -3.268 1.00 0.00 N ATOM 187 CA LEU A 12 -7.514 -7.382 -2.767 1.00 0.00 C ATOM 188 C LEU A 12 -6.483 -6.317 -3.040 1.00 0.00 C ATOM 189 O LEU A 12 -5.413 -6.283 -2.402 1.00 0.00 O ATOM 190 CB LEU A 12 -7.801 -7.442 -1.269 1.00 0.00 C ATOM 191 CG LEU A 12 -8.417 -6.186 -0.685 1.00 0.00 C ATOM 192 CD1 LEU A 12 -9.798 -5.953 -1.254 1.00 0.00 C ATOM 193 CD2 LEU A 12 -8.452 -6.232 0.829 1.00 0.00 C ATOM 0 H LEU A 12 -6.083 -8.836 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.439 -7.130 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.470 -8.281 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.869 -7.650 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.784 -5.345 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.222 -5.047 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.732 -5.842 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.438 -6.802 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.900 -5.315 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.044 -7.088 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.437 -6.327 1.214 1.00 0.00 H new ATOM 205 N ASP A 13 -6.765 -5.496 -3.996 1.00 0.00 N ATOM 206 CA ASP A 13 -5.942 -4.361 -4.292 1.00 0.00 C ATOM 207 C ASP A 13 -6.642 -3.100 -3.897 1.00 0.00 C ATOM 208 O ASP A 13 -7.711 -2.771 -4.404 1.00 0.00 O ATOM 209 CB ASP A 13 -5.526 -4.287 -5.752 1.00 0.00 C ATOM 210 CG ASP A 13 -4.953 -2.917 -6.096 1.00 0.00 C ATOM 211 OD1 ASP A 13 -3.946 -2.505 -5.494 1.00 0.00 O ATOM 212 OD2 ASP A 13 -5.523 -2.231 -6.978 1.00 0.00 O ATOM 0 H ASP A 13 -7.580 -5.591 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.028 -4.480 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.783 -5.057 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.386 -4.494 -6.388 1.00 0.00 H new ATOM 217 N ASP A 14 -6.048 -2.427 -2.981 1.00 0.00 N ATOM 218 CA ASP A 14 -6.528 -1.164 -2.482 1.00 0.00 C ATOM 219 C ASP A 14 -5.313 -0.241 -2.469 1.00 0.00 C ATOM 220 O ASP A 14 -5.201 0.716 -1.704 1.00 0.00 O ATOM 221 CB ASP A 14 -7.100 -1.393 -1.068 1.00 0.00 C ATOM 222 CG ASP A 14 -7.790 -0.187 -0.472 1.00 0.00 C ATOM 223 OD1 ASP A 14 -8.930 0.116 -0.877 1.00 0.00 O ATOM 224 OD2 ASP A 14 -7.232 0.445 0.448 1.00 0.00 O ATOM 0 H ASP A 14 -5.185 -2.739 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.321 -0.725 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.808 -2.221 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.289 -1.697 -0.406 1.00 0.00 H new ATOM 229 N CYS A 15 -4.404 -0.544 -3.371 1.00 0.00 N ATOM 230 CA CYS A 15 -3.127 0.102 -3.452 1.00 0.00 C ATOM 231 C CYS A 15 -3.018 0.993 -4.673 1.00 0.00 C ATOM 232 O CYS A 15 -3.807 0.894 -5.613 1.00 0.00 O ATOM 233 CB CYS A 15 -2.065 -0.966 -3.549 1.00 0.00 C ATOM 234 SG CYS A 15 -1.959 -2.066 -2.122 1.00 0.00 S ATOM 0 H CYS A 15 -4.543 -1.263 -4.081 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.001 0.724 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.255 -1.566 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.098 -0.484 -3.690 1.00 0.00 H new ATOM 239 N CYS A 16 -2.036 1.868 -4.655 1.00 0.00 N ATOM 240 CA CYS A 16 -1.760 2.727 -5.788 1.00 0.00 C ATOM 241 C CYS A 16 -0.887 1.981 -6.797 1.00 0.00 C ATOM 242 O CYS A 16 -1.160 1.973 -7.992 1.00 0.00 O ATOM 243 CB CYS A 16 -1.007 3.958 -5.305 1.00 0.00 C ATOM 244 SG CYS A 16 -1.722 4.703 -3.812 1.00 0.00 S ATOM 0 H CYS A 16 -1.410 2.004 -3.861 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.699 3.019 -6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.029 3.685 -5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.993 4.702 -6.102 1.00 0.00 H new ATOM 249 N SER A 17 0.145 1.335 -6.289 1.00 0.00 N ATOM 250 CA SER A 17 1.134 0.667 -7.113 1.00 0.00 C ATOM 251 C SER A 17 0.834 -0.832 -7.260 1.00 0.00 C ATOM 252 O SER A 17 1.515 -1.533 -7.999 1.00 0.00 O ATOM 253 CB SER A 17 2.462 0.851 -6.420 1.00 0.00 C ATOM 254 OG SER A 17 2.548 2.175 -5.919 1.00 0.00 O ATOM 0 H SER A 17 0.322 1.258 -5.287 1.00 0.00 H new ATOM 0 HA SER A 17 1.131 1.091 -8.117 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.563 0.134 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.279 0.659 -7.116 1.00 0.00 H new ATOM 0 HG SER A 17 2.499 2.158 -4.940 1.00 0.00 H new ATOM 260 N ARG A 18 -0.213 -1.298 -6.559 1.00 0.00 N ATOM 261 CA ARG A 18 -0.620 -2.719 -6.516 1.00 0.00 C ATOM 262 C ARG A 18 0.511 -3.679 -6.081 1.00 0.00 C ATOM 263 O ARG A 18 0.418 -4.885 -6.310 1.00 0.00 O ATOM 264 CB ARG A 18 -1.186 -3.139 -7.877 1.00 0.00 C ATOM 265 CG ARG A 18 -2.345 -2.276 -8.306 1.00 0.00 C ATOM 266 CD ARG A 18 -2.942 -2.700 -9.623 1.00 0.00 C ATOM 267 NE ARG A 18 -1.988 -2.615 -10.736 1.00 0.00 N ATOM 268 CZ ARG A 18 -2.311 -2.460 -12.032 1.00 0.00 C ATOM 269 NH1 ARG A 18 -3.584 -2.294 -12.409 1.00 0.00 N ATOM 270 NH2 ARG A 18 -1.353 -2.443 -12.943 1.00 0.00 N ATOM 0 H ARG A 18 -0.811 -0.692 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.390 -2.799 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.398 -3.085 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.509 -4.179 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.117 -2.307 -7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.011 -1.241 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.304 -3.725 -9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.806 -2.073 -9.843 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.996 -2.679 -10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.326 -2.284 -11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.812 -2.178 -13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.378 -2.547 -12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.588 -2.326 -13.929 1.00 0.00 H new ATOM 284 N LYS A 19 1.532 -3.176 -5.397 1.00 0.00 N ATOM 285 CA LYS A 19 2.652 -4.027 -5.057 1.00 0.00 C ATOM 286 C LYS A 19 2.651 -4.362 -3.590 1.00 0.00 C ATOM 287 O LYS A 19 2.356 -3.514 -2.734 1.00 0.00 O ATOM 288 CB LYS A 19 3.988 -3.380 -5.386 1.00 0.00 C ATOM 289 CG LYS A 19 5.073 -4.407 -5.738 1.00 0.00 C ATOM 290 CD LYS A 19 6.460 -3.795 -5.784 1.00 0.00 C ATOM 291 CE LYS A 19 7.060 -3.652 -4.394 1.00 0.00 C ATOM 292 NZ LYS A 19 7.365 -4.976 -3.782 1.00 0.00 N ATOM 0 H LYS A 19 1.603 -2.210 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 19 2.533 -4.930 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.858 -2.693 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.319 -2.786 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.059 -5.212 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.845 -4.855 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.111 -4.416 -6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.410 -2.816 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.973 -3.060 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.367 -3.107 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.059 -4.853 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.493 -5.389 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.756 -5.611 -4.506 1.00 0.00 H new ATOM 306 N CYS A 20 3.007 -5.562 -3.310 1.00 0.00 N ATOM 307 CA CYS A 20 3.132 -6.045 -1.979 1.00 0.00 C ATOM 308 C CYS A 20 4.590 -6.306 -1.690 1.00 0.00 C ATOM 309 O CYS A 20 5.382 -6.504 -2.615 1.00 0.00 O ATOM 310 CB CYS A 20 2.321 -7.321 -1.808 1.00 0.00 C ATOM 311 SG CYS A 20 0.533 -7.084 -2.019 1.00 0.00 S ATOM 0 H CYS A 20 3.227 -6.259 -4.021 1.00 0.00 H new ATOM 0 HA CYS A 20 2.750 -5.302 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.668 -8.061 -2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.510 -7.731 -0.816 1.00 0.00 H new ATOM 316 N ASN A 21 4.966 -6.205 -0.451 1.00 0.00 N ATOM 317 CA ASN A 21 6.304 -6.543 -0.042 1.00 0.00 C ATOM 318 C ASN A 21 6.324 -7.987 0.439 1.00 0.00 C ATOM 319 O ASN A 21 5.271 -8.661 0.471 1.00 0.00 O ATOM 320 CB ASN A 21 6.863 -5.582 1.057 1.00 0.00 C ATOM 321 CG ASN A 21 6.056 -5.532 2.356 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.349 -6.459 2.704 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.219 -4.481 3.107 1.00 0.00 N ATOM 0 H ASN A 21 4.360 -5.888 0.306 1.00 0.00 H new ATOM 0 HA ASN A 21 6.960 -6.427 -0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.883 -5.883 1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.916 -4.575 0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.749 -4.422 4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.817 -3.717 2.792 1.00 0.00 H new ATOM 330 N ARG A 22 7.482 -8.449 0.857 1.00 0.00 N ATOM 331 CA ARG A 22 7.669 -9.821 1.333 1.00 0.00 C ATOM 332 C ARG A 22 6.926 -10.085 2.663 1.00 0.00 C ATOM 333 O ARG A 22 6.855 -11.217 3.134 1.00 0.00 O ATOM 334 CB ARG A 22 9.161 -10.108 1.494 1.00 0.00 C ATOM 335 CG ARG A 22 9.836 -9.307 2.595 1.00 0.00 C ATOM 336 CD ARG A 22 11.339 -9.450 2.538 1.00 0.00 C ATOM 337 NE ARG A 22 11.772 -10.844 2.590 1.00 0.00 N ATOM 338 CZ ARG A 22 13.025 -11.259 2.422 1.00 0.00 C ATOM 339 NH1 ARG A 22 14.026 -10.376 2.344 1.00 0.00 N ATOM 340 NH2 ARG A 22 13.277 -12.553 2.374 1.00 0.00 N ATOM 0 H ARG A 22 8.333 -7.887 0.880 1.00 0.00 H new ATOM 0 HA ARG A 22 7.241 -10.493 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.295 -11.170 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.663 -9.900 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.565 -8.255 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.473 -9.643 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.709 -8.992 1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.784 -8.904 3.369 1.00 0.00 H new ATOM 0 HE ARG A 22 11.060 -11.553 2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.831 -9.377 2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.984 -10.701 2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.515 -13.225 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.234 -12.882 2.246 1.00 0.00 H new ATOM 354 N PHE A 23 6.374 -9.045 3.245 1.00 0.00 N ATOM 355 CA PHE A 23 5.665 -9.141 4.502 1.00 0.00 C ATOM 356 C PHE A 23 4.157 -9.112 4.260 1.00 0.00 C ATOM 357 O PHE A 23 3.374 -9.035 5.202 1.00 0.00 O ATOM 358 CB PHE A 23 6.067 -7.982 5.419 1.00 0.00 C ATOM 359 CG PHE A 23 7.534 -7.942 5.710 1.00 0.00 C ATOM 360 CD1 PHE A 23 8.096 -8.863 6.561 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.352 -6.996 5.117 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.441 -8.849 6.827 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.706 -6.975 5.377 1.00 0.00 C ATOM 364 CZ PHE A 23 10.253 -7.904 6.235 1.00 0.00 C ATOM 0 H PHE A 23 6.404 -8.102 2.857 1.00 0.00 H new ATOM 0 HA PHE A 23 5.928 -10.084 4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.769 -7.041 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.519 -8.063 6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.469 -9.609 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.926 -6.267 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.865 -9.579 7.501 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.336 -6.233 4.910 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.313 -7.892 6.443 1.00 0.00 H new ATOM 374 N ASN A 24 3.770 -9.116 2.969 1.00 0.00 N ATOM 375 CA ASN A 24 2.347 -9.137 2.526 1.00 0.00 C ATOM 376 C ASN A 24 1.659 -7.776 2.829 1.00 0.00 C ATOM 377 O ASN A 24 0.410 -7.632 2.883 1.00 0.00 O ATOM 378 CB ASN A 24 1.595 -10.341 3.149 1.00 0.00 C ATOM 379 CG ASN A 24 0.213 -10.587 2.563 1.00 0.00 C ATOM 380 OD1 ASN A 24 -0.050 -10.314 1.392 1.00 0.00 O ATOM 381 ND2 ASN A 24 -0.661 -11.131 3.365 1.00 0.00 N ATOM 0 H ASN A 24 4.433 -9.105 2.194 1.00 0.00 H new ATOM 0 HA ASN A 24 2.314 -9.273 1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.198 -11.239 3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.498 -10.178 4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.600 -11.344 3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.406 -11.343 4.330 1.00 0.00 H new ATOM 388 N LYS A 25 2.485 -6.774 3.004 1.00 0.00 N ATOM 389 CA LYS A 25 2.022 -5.433 3.167 1.00 0.00 C ATOM 390 C LYS A 25 2.168 -4.726 1.853 1.00 0.00 C ATOM 391 O LYS A 25 3.022 -5.085 1.045 1.00 0.00 O ATOM 392 CB LYS A 25 2.793 -4.698 4.242 1.00 0.00 C ATOM 393 CG LYS A 25 2.622 -5.289 5.617 1.00 0.00 C ATOM 394 CD LYS A 25 3.284 -4.424 6.639 1.00 0.00 C ATOM 395 CE LYS A 25 3.165 -5.008 8.038 1.00 0.00 C ATOM 396 NZ LYS A 25 3.736 -4.106 9.056 1.00 0.00 N ATOM 0 H LYS A 25 3.500 -6.874 3.036 1.00 0.00 H new ATOM 0 HA LYS A 25 0.978 -5.453 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.852 -4.700 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.471 -3.657 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.561 -5.390 5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.051 -6.291 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.337 -4.302 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.835 -3.431 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.116 -5.196 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.677 -5.970 8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.419 -4.404 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.774 -4.145 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.418 -3.133 8.875 1.00 0.00 H new ATOM 410 N CYS A 26 1.372 -3.756 1.633 1.00 0.00 N ATOM 411 CA CYS A 26 1.376 -3.053 0.390 1.00 0.00 C ATOM 412 C CYS A 26 2.337 -1.911 0.468 1.00 0.00 C ATOM 413 O CYS A 26 2.238 -1.100 1.384 1.00 0.00 O ATOM 414 CB CYS A 26 0.019 -2.495 0.127 1.00 0.00 C ATOM 415 SG CYS A 26 -0.099 -1.673 -1.483 1.00 0.00 S ATOM 0 H CYS A 26 0.688 -3.415 2.309 1.00 0.00 H new ATOM 0 HA CYS A 26 1.664 -3.741 -0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.715 -3.299 0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.236 -1.784 0.913 1.00 0.00 H new ATOM 420 N VAL A 27 3.226 -1.795 -0.490 1.00 0.00 N ATOM 421 CA VAL A 27 4.207 -0.745 -0.431 1.00 0.00 C ATOM 422 C VAL A 27 4.307 0.029 -1.720 1.00 0.00 C ATOM 423 O VAL A 27 4.025 -0.498 -2.807 1.00 0.00 O ATOM 424 CB VAL A 27 5.627 -1.240 -0.014 1.00 0.00 C ATOM 425 CG1 VAL A 27 5.639 -1.726 1.420 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.129 -2.334 -0.952 1.00 0.00 C ATOM 0 H VAL A 27 3.289 -2.405 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 27 3.841 -0.081 0.352 1.00 0.00 H new ATOM 0 HB VAL A 27 6.304 -0.389 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.642 -2.064 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.347 -0.911 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.937 -2.553 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.120 -2.658 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.444 -3.181 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.182 -1.945 -1.969 1.00 0.00 H new ATOM 436 N LEU A 28 4.659 1.279 -1.582 1.00 0.00 N ATOM 437 CA LEU A 28 4.968 2.127 -2.696 1.00 0.00 C ATOM 438 C LEU A 28 6.449 1.940 -2.948 1.00 0.00 C ATOM 439 O LEU A 28 7.246 2.086 -2.020 1.00 0.00 O ATOM 440 CB LEU A 28 4.698 3.600 -2.330 1.00 0.00 C ATOM 441 CG LEU A 28 5.033 4.658 -3.399 1.00 0.00 C ATOM 442 CD1 LEU A 28 4.044 4.621 -4.545 1.00 0.00 C ATOM 443 CD2 LEU A 28 5.089 6.042 -2.790 1.00 0.00 C ATOM 0 H LEU A 28 4.740 1.742 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 28 4.363 1.880 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.643 3.698 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.266 3.835 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 28 6.018 4.417 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.311 5.380 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.067 3.637 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.041 4.819 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.327 6.771 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.122 6.284 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.858 6.069 -2.018 1.00 0.00 H new ATOM 455 N PRO A 29 6.850 1.564 -4.151 1.00 0.00 N ATOM 456 CA PRO A 29 8.256 1.374 -4.471 1.00 0.00 C ATOM 457 C PRO A 29 8.985 2.710 -4.625 1.00 0.00 C ATOM 458 O PRO A 29 8.426 3.777 -4.339 1.00 0.00 O ATOM 459 CB PRO A 29 8.212 0.630 -5.801 1.00 0.00 C ATOM 460 CG PRO A 29 6.935 1.057 -6.426 1.00 0.00 C ATOM 461 CD PRO A 29 5.974 1.294 -5.299 1.00 0.00 C ATOM 0 HA PRO A 29 8.795 0.838 -3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.066 0.887 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.239 -0.450 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.074 1.963 -7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.558 0.291 -7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.313 2.136 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.339 0.425 -5.124 1.00 0.00 H new ATOM 469 N GLU A 30 10.216 2.651 -5.082 1.00 0.00 N ATOM 470 CA GLU A 30 11.031 3.844 -5.286 1.00 0.00 C ATOM 471 C GLU A 30 10.451 4.717 -6.394 1.00 0.00 C ATOM 472 O GLU A 30 10.676 5.924 -6.438 1.00 0.00 O ATOM 473 CB GLU A 30 12.458 3.430 -5.591 1.00 0.00 C ATOM 474 CG GLU A 30 13.100 2.697 -4.432 1.00 0.00 C ATOM 475 CD GLU A 30 14.381 2.032 -4.801 1.00 0.00 C ATOM 476 OE1 GLU A 30 15.431 2.699 -4.792 1.00 0.00 O ATOM 477 OE2 GLU A 30 14.364 0.819 -5.097 1.00 0.00 O ATOM 0 H GLU A 30 10.687 1.779 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 30 11.029 4.443 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.468 2.791 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.048 4.315 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.283 3.401 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.404 1.948 -4.053 1.00 0.00 H new ATOM 484 N THR A 31 9.701 4.107 -7.266 1.00 0.00 N ATOM 485 CA THR A 31 9.026 4.810 -8.300 1.00 0.00 C ATOM 486 C THR A 31 7.691 5.349 -7.760 1.00 0.00 C ATOM 487 O THR A 31 6.739 4.593 -7.547 1.00 0.00 O ATOM 488 CB THR A 31 8.816 3.885 -9.500 1.00 0.00 C ATOM 489 OG1 THR A 31 8.245 2.661 -9.029 1.00 0.00 O ATOM 490 CG2 THR A 31 10.138 3.594 -10.195 1.00 0.00 C ATOM 0 H THR A 31 9.544 3.099 -7.273 1.00 0.00 H new ATOM 0 HA THR A 31 9.626 5.657 -8.633 1.00 0.00 H new ATOM 0 HB THR A 31 8.153 4.368 -10.218 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.101 2.055 -9.785 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.965 2.934 -11.045 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.579 4.528 -10.544 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.819 3.111 -9.494 1.00 0.00 H new ATOM 498 N GLY A 32 7.665 6.622 -7.468 1.00 0.00 N ATOM 499 CA GLY A 32 6.499 7.249 -6.926 1.00 0.00 C ATOM 500 C GLY A 32 6.894 8.333 -5.955 1.00 0.00 C ATOM 501 O GLY A 32 7.937 8.224 -5.285 1.00 0.00 O ATOM 0 H GLY A 32 8.456 7.251 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.898 7.673 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.879 6.507 -6.422 1.00 0.00 H new ATOM 505 N GLY A 33 6.103 9.370 -5.878 1.00 0.00 N ATOM 506 CA GLY A 33 6.395 10.469 -4.996 1.00 0.00 C ATOM 507 C GLY A 33 5.788 10.269 -3.630 1.00 0.00 C ATOM 508 O GLY A 33 6.394 10.623 -2.613 1.00 0.00 O ATOM 0 H GLY A 33 5.245 9.477 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.475 10.581 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.016 11.394 -5.430 1.00 0.00 H new ATOM 512 N GLY A 34 4.595 9.720 -3.603 1.00 0.00 N ATOM 513 CA GLY A 34 3.908 9.447 -2.365 1.00 0.00 C ATOM 514 C GLY A 34 2.434 9.211 -2.604 1.00 0.00 C ATOM 515 O GLY A 34 1.786 9.968 -3.341 1.00 0.00 O ATOM 0 H GLY A 34 4.075 9.451 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.347 8.572 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.039 10.284 -1.680 1.00 0.00 H new TER 519 GLY A 34