USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 271 hydrogens (4 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 18 SEP H2 : A 18 SEP N : A 17 SER C :(H bumps) USER MOD NoAdj-H: A 18 SEP H : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= -1.18 X(o=-1,f=-0.58) USER MOD Set 1.2: A 12 THR OG1 : rot -173:sc= 0.16 USER MOD Single : A 1 GLU N :NH3+ -167:sc= -0.0212 (180deg=-0.349) USER MOD Single : A 2 LYS NZ :NH3+ 139:sc= -1.14 (180deg=-3.61!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 41:sc= 0.884 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 13:sc= 0.115 USER MOD Single : A 27 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.26) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 21.292 -2.202 -9.126 1.00 15.12 N ATOM 2 CA GLU A 1 21.041 -3.643 -8.869 1.00 14.81 C ATOM 3 C GLU A 1 21.617 -4.067 -7.522 1.00 14.09 C ATOM 4 O GLU A 1 21.079 -4.957 -6.859 1.00 14.04 O ATOM 5 CB GLU A 1 21.655 -4.497 -9.980 1.00 15.49 C ATOM 6 CG GLU A 1 21.067 -4.228 -11.355 1.00 16.22 C ATOM 7 CD GLU A 1 19.584 -4.537 -11.431 1.00 16.63 C ATOM 8 OE1 GLU A 1 19.232 -5.706 -11.691 1.00 17.01 O ATOM 9 OE2 GLU A 1 18.775 -3.605 -11.231 1.00 16.69 O ATOM 0 H1 GLU A 1 20.711 -1.886 -9.929 1.00 15.12 H new ATOM 0 H2 GLU A 1 21.043 -1.650 -8.280 1.00 15.12 H new ATOM 0 H3 GLU A 1 22.298 -2.059 -9.349 1.00 15.12 H new ATOM 0 HA GLU A 1 19.962 -3.796 -8.851 1.00 14.81 H new ATOM 0 HB2 GLU A 1 22.729 -4.316 -10.013 1.00 15.49 H new ATOM 0 HB3 GLU A 1 21.516 -5.550 -9.735 1.00 15.49 H new ATOM 0 HG2 GLU A 1 21.229 -3.182 -11.616 1.00 16.22 H new ATOM 0 HG3 GLU A 1 21.597 -4.828 -12.095 1.00 16.22 H new ATOM 18 N LYS A 2 22.710 -3.426 -7.122 1.00 13.72 N ATOM 19 CA LYS A 2 23.363 -3.740 -5.857 1.00 13.19 C ATOM 20 C LYS A 2 22.659 -3.052 -4.689 1.00 12.05 C ATOM 21 O LYS A 2 22.284 -1.884 -4.780 1.00 11.96 O ATOM 22 CB LYS A 2 24.835 -3.323 -5.899 1.00 13.87 C ATOM 23 CG LYS A 2 25.041 -1.840 -6.156 1.00 14.32 C ATOM 24 CD LYS A 2 26.496 -1.512 -6.462 1.00 15.08 C ATOM 25 CE LYS A 2 27.357 -1.517 -5.207 1.00 15.61 C ATOM 26 NZ LYS A 2 27.591 -2.896 -4.691 1.00 16.09 N ATOM 0 H LYS A 2 23.163 -2.685 -7.657 1.00 13.72 H new ATOM 0 HA LYS A 2 23.302 -4.818 -5.707 1.00 13.19 H new ATOM 0 HB2 LYS A 2 25.306 -3.588 -4.952 1.00 13.87 H new ATOM 0 HB3 LYS A 2 25.343 -3.892 -6.678 1.00 13.87 H new ATOM 0 HG2 LYS A 2 24.415 -1.526 -6.991 1.00 14.32 H new ATOM 0 HG3 LYS A 2 24.717 -1.272 -5.284 1.00 14.32 H new ATOM 0 HD2 LYS A 2 26.889 -2.237 -7.174 1.00 15.08 H new ATOM 0 HD3 LYS A 2 26.555 -0.533 -6.938 1.00 15.08 H new ATOM 0 HE2 LYS A 2 28.315 -1.044 -5.424 1.00 15.61 H new ATOM 0 HE3 LYS A 2 26.874 -0.919 -4.434 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 28.579 -2.987 -4.379 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 26.956 -3.078 -3.888 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 27.401 -3.586 -5.446 1.00 16.09 H new ATOM 40 N LEU A 3 22.479 -3.798 -3.598 1.00 11.32 N ATOM 41 CA LEU A 3 21.826 -3.282 -2.396 1.00 10.29 C ATOM 42 C LEU A 3 20.354 -2.981 -2.654 1.00 9.21 C ATOM 43 O LEU A 3 19.993 -2.411 -3.682 1.00 9.00 O ATOM 44 CB LEU A 3 22.538 -2.027 -1.886 1.00 10.27 C ATOM 45 CG LEU A 3 21.984 -1.451 -0.581 1.00 10.39 C ATOM 46 CD1 LEU A 3 22.186 -2.432 0.565 1.00 10.65 C ATOM 47 CD2 LEU A 3 22.646 -0.119 -0.267 1.00 10.84 C ATOM 0 H LEU A 3 22.780 -4.770 -3.523 1.00 11.32 H new ATOM 0 HA LEU A 3 21.888 -4.055 -1.630 1.00 10.29 H new ATOM 0 HB2 LEU A 3 23.593 -2.260 -1.743 1.00 10.27 H new ATOM 0 HB3 LEU A 3 22.483 -1.258 -2.657 1.00 10.27 H new ATOM 0 HG LEU A 3 20.914 -1.284 -0.704 1.00 10.39 H new ATOM 0 HD11 LEU A 3 21.786 -2.005 1.484 1.00 10.65 H new ATOM 0 HD12 LEU A 3 21.667 -3.364 0.342 1.00 10.65 H new ATOM 0 HD13 LEU A 3 23.250 -2.631 0.691 1.00 10.65 H new ATOM 0 HD21 LEU A 3 22.241 0.278 0.664 1.00 10.84 H new ATOM 0 HD22 LEU A 3 23.721 -0.263 -0.163 1.00 10.84 H new ATOM 0 HD23 LEU A 3 22.450 0.584 -1.077 1.00 10.84 H new ATOM 59 N LYS A 4 19.509 -3.372 -1.706 1.00 8.75 N ATOM 60 CA LYS A 4 18.072 -3.154 -1.822 1.00 7.88 C ATOM 61 C LYS A 4 17.597 -2.110 -0.814 1.00 6.56 C ATOM 62 O LYS A 4 17.809 -2.253 0.391 1.00 6.12 O ATOM 63 CB LYS A 4 17.322 -4.472 -1.603 1.00 8.37 C ATOM 64 CG LYS A 4 17.896 -5.640 -2.395 1.00 9.77 C ATOM 65 CD LYS A 4 19.013 -6.342 -1.636 1.00 10.39 C ATOM 66 CE LYS A 4 18.483 -7.106 -0.431 1.00 11.36 C ATOM 67 NZ LYS A 4 19.571 -7.809 0.305 1.00 12.01 N ATOM 0 H LYS A 4 19.795 -3.842 -0.847 1.00 8.75 H new ATOM 0 HA LYS A 4 17.862 -2.783 -2.825 1.00 7.88 H new ATOM 0 HB2 LYS A 4 17.342 -4.719 -0.542 1.00 8.37 H new ATOM 0 HB3 LYS A 4 16.276 -4.336 -1.879 1.00 8.37 H new ATOM 0 HG2 LYS A 4 17.103 -6.354 -2.617 1.00 9.77 H new ATOM 0 HG3 LYS A 4 18.277 -5.279 -3.351 1.00 9.77 H new ATOM 0 HD2 LYS A 4 19.530 -7.030 -2.304 1.00 10.39 H new ATOM 0 HD3 LYS A 4 19.747 -5.606 -1.306 1.00 10.39 H new ATOM 0 HE2 LYS A 4 17.977 -6.415 0.243 1.00 11.36 H new ATOM 0 HE3 LYS A 4 17.740 -7.832 -0.760 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 19.168 -8.317 1.118 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 20.038 -8.487 -0.330 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 20.268 -7.114 0.642 1.00 12.01 H new ATOM 81 N GLN A 5 16.950 -1.060 -1.317 1.00 6.18 N ATOM 82 CA GLN A 5 16.447 0.011 -0.461 1.00 5.10 C ATOM 83 C GLN A 5 15.087 -0.352 0.130 1.00 4.85 C ATOM 84 O GLN A 5 14.214 -0.866 -0.572 1.00 5.41 O ATOM 85 CB GLN A 5 16.335 1.318 -1.248 1.00 5.37 C ATOM 86 CG GLN A 5 17.609 1.704 -1.981 1.00 6.31 C ATOM 87 CD GLN A 5 18.804 1.822 -1.054 1.00 6.77 C ATOM 88 OE1 GLN A 5 19.083 2.894 -0.517 1.00 6.74 O ATOM 89 NE2 GLN A 5 19.517 0.719 -0.864 1.00 7.51 N ATOM 0 H GLN A 5 16.762 -0.929 -2.311 1.00 6.18 H new ATOM 0 HA GLN A 5 17.156 0.145 0.356 1.00 5.10 H new ATOM 0 HB2 GLN A 5 15.524 1.228 -1.971 1.00 5.37 H new ATOM 0 HB3 GLN A 5 16.063 2.121 -0.563 1.00 5.37 H new ATOM 0 HG2 GLN A 5 17.822 0.960 -2.748 1.00 6.31 H new ATOM 0 HG3 GLN A 5 17.456 2.654 -2.492 1.00 6.31 H new ATOM 0 HE21 GLN A 5 19.249 -0.148 -1.330 1.00 7.51 H new ATOM 0 HE22 GLN A 5 20.333 0.738 -0.252 1.00 7.51 H new ATOM 98 N ASP A 6 14.913 -0.076 1.418 1.00 4.37 N ATOM 99 CA ASP A 6 13.658 -0.373 2.104 1.00 4.44 C ATOM 100 C ASP A 6 13.433 0.589 3.267 1.00 3.95 C ATOM 101 O ASP A 6 14.370 0.948 3.979 1.00 4.03 O ATOM 102 CB ASP A 6 13.661 -1.816 2.612 1.00 5.16 C ATOM 103 CG ASP A 6 13.618 -2.827 1.484 1.00 6.02 C ATOM 104 OD1 ASP A 6 12.502 -3.197 1.061 1.00 6.55 O ATOM 105 OD2 ASP A 6 14.698 -3.250 1.022 1.00 6.42 O ATOM 0 H ASP A 6 15.625 0.353 2.009 1.00 4.37 H new ATOM 0 HA ASP A 6 12.843 -0.248 1.391 1.00 4.44 H new ATOM 0 HB2 ASP A 6 14.554 -1.985 3.213 1.00 5.16 H new ATOM 0 HB3 ASP A 6 12.803 -1.969 3.266 1.00 5.16 H new ATOM 110 N ILE A 7 12.180 0.998 3.456 1.00 4.03 N ATOM 111 CA ILE A 7 11.829 1.918 4.533 1.00 4.18 C ATOM 112 C ILE A 7 11.568 1.160 5.832 1.00 4.03 C ATOM 113 O ILE A 7 10.903 1.662 6.739 1.00 4.59 O ATOM 114 CB ILE A 7 10.587 2.760 4.167 1.00 5.06 C ATOM 115 CG1 ILE A 7 10.630 3.155 2.687 1.00 5.77 C ATOM 116 CG2 ILE A 7 10.508 4.003 5.045 1.00 5.52 C ATOM 117 CD1 ILE A 7 9.372 3.844 2.203 1.00 6.57 C ATOM 0 H ILE A 7 11.392 0.706 2.877 1.00 4.03 H new ATOM 0 HA ILE A 7 12.676 2.589 4.676 1.00 4.18 H new ATOM 0 HB ILE A 7 9.696 2.157 4.341 1.00 5.06 H new ATOM 0 HG12 ILE A 7 11.482 3.815 2.521 1.00 5.77 H new ATOM 0 HG13 ILE A 7 10.798 2.261 2.086 1.00 5.77 H new ATOM 0 HG21 ILE A 7 9.627 4.585 4.774 1.00 5.52 H new ATOM 0 HG22 ILE A 7 10.438 3.706 6.091 1.00 5.52 H new ATOM 0 HG23 ILE A 7 11.402 4.609 4.899 1.00 5.52 H new ATOM 0 HD11 ILE A 7 9.477 4.093 1.147 1.00 6.57 H new ATOM 0 HD12 ILE A 7 8.519 3.179 2.336 1.00 6.57 H new ATOM 0 HD13 ILE A 7 9.213 4.757 2.777 1.00 6.57 H new ATOM 129 N LEU A 8 12.101 -0.057 5.915 1.00 3.78 N ATOM 130 CA LEU A 8 11.934 -0.889 7.102 1.00 4.24 C ATOM 131 C LEU A 8 13.275 -1.099 7.795 1.00 4.15 C ATOM 132 O LEU A 8 13.410 -1.956 8.670 1.00 4.91 O ATOM 133 CB LEU A 8 11.317 -2.247 6.736 1.00 5.10 C ATOM 134 CG LEU A 8 9.861 -2.216 6.249 1.00 6.03 C ATOM 135 CD1 LEU A 8 8.975 -1.467 7.232 1.00 6.66 C ATOM 136 CD2 LEU A 8 9.767 -1.599 4.861 1.00 6.63 C ATOM 0 H LEU A 8 12.652 -0.488 5.173 1.00 3.78 H new ATOM 0 HA LEU A 8 11.258 -0.373 7.784 1.00 4.24 H new ATOM 0 HB2 LEU A 8 11.929 -2.704 5.959 1.00 5.10 H new ATOM 0 HB3 LEU A 8 11.373 -2.896 7.610 1.00 5.10 H new ATOM 0 HG LEU A 8 9.505 -3.244 6.189 1.00 6.03 H new ATOM 0 HD11 LEU A 8 7.949 -1.459 6.864 1.00 6.66 H new ATOM 0 HD12 LEU A 8 9.009 -1.962 8.203 1.00 6.66 H new ATOM 0 HD13 LEU A 8 9.331 -0.442 7.335 1.00 6.66 H new ATOM 0 HD21 LEU A 8 8.726 -1.588 4.537 1.00 6.63 H new ATOM 0 HD22 LEU A 8 10.149 -0.578 4.890 1.00 6.63 H new ATOM 0 HD23 LEU A 8 10.359 -2.188 4.160 1.00 6.63 H new ATOM 148 N ASN A 9 14.265 -0.304 7.399 1.00 3.64 N ATOM 149 CA ASN A 9 15.603 -0.396 7.970 1.00 4.09 C ATOM 150 C ASN A 9 16.432 0.830 7.604 1.00 3.65 C ATOM 151 O ASN A 9 17.193 1.347 8.424 1.00 4.39 O ATOM 152 CB ASN A 9 16.302 -1.665 7.482 1.00 4.82 C ATOM 153 CG ASN A 9 16.333 -1.767 5.969 1.00 5.28 C ATOM 154 OD1 ASN A 9 15.408 -2.294 5.351 1.00 5.88 O ATOM 155 ND2 ASN A 9 17.405 -1.265 5.363 1.00 5.40 N ATOM 0 H ASN A 9 14.164 0.414 6.682 1.00 3.64 H new ATOM 0 HA ASN A 9 15.508 -0.438 9.055 1.00 4.09 H new ATOM 0 HB2 ASN A 9 17.322 -1.684 7.865 1.00 4.82 H new ATOM 0 HB3 ASN A 9 15.792 -2.537 7.891 1.00 4.82 H new ATOM 0 HD21 ASN A 9 17.483 -1.308 4.347 1.00 5.40 H new ATOM 0 HD22 ASN A 9 18.149 -0.837 5.914 1.00 5.40 H new ATOM 162 N LEU A 10 16.279 1.290 6.367 1.00 2.89 N ATOM 163 CA LEU A 10 17.011 2.455 5.885 1.00 3.16 C ATOM 164 C LEU A 10 16.096 3.386 5.095 1.00 3.00 C ATOM 165 O LEU A 10 15.851 3.168 3.908 1.00 3.34 O ATOM 166 CB LEU A 10 18.194 2.026 5.013 1.00 4.00 C ATOM 167 CG LEU A 10 19.328 1.316 5.756 1.00 4.95 C ATOM 168 CD1 LEU A 10 20.341 0.756 4.771 1.00 5.53 C ATOM 169 CD2 LEU A 10 20.005 2.270 6.730 1.00 5.82 C ATOM 0 H LEU A 10 15.653 0.872 5.679 1.00 2.89 H new ATOM 0 HA LEU A 10 17.389 2.994 6.754 1.00 3.16 H new ATOM 0 HB2 LEU A 10 17.826 1.365 4.228 1.00 4.00 H new ATOM 0 HB3 LEU A 10 18.601 2.909 4.521 1.00 4.00 H new ATOM 0 HG LEU A 10 18.903 0.487 6.323 1.00 4.95 H new ATOM 0 HD11 LEU A 10 21.140 0.255 5.317 1.00 5.53 H new ATOM 0 HD12 LEU A 10 19.850 0.042 4.110 1.00 5.53 H new ATOM 0 HD13 LEU A 10 20.761 1.569 4.179 1.00 5.53 H new ATOM 0 HD21 LEU A 10 20.809 1.749 7.250 1.00 5.82 H new ATOM 0 HD22 LEU A 10 20.417 3.118 6.182 1.00 5.82 H new ATOM 0 HD23 LEU A 10 19.275 2.627 7.456 1.00 5.82 H new ATOM 181 N ARG A 11 15.590 4.417 5.761 1.00 3.22 N ATOM 182 CA ARG A 11 14.706 5.381 5.118 1.00 3.83 C ATOM 183 C ARG A 11 15.486 6.263 4.149 1.00 3.89 C ATOM 184 O ARG A 11 16.072 7.271 4.548 1.00 4.53 O ATOM 185 CB ARG A 11 14.005 6.249 6.164 1.00 4.72 C ATOM 186 CG ARG A 11 13.230 5.451 7.198 1.00 5.10 C ATOM 187 CD ARG A 11 12.508 6.360 8.179 1.00 6.23 C ATOM 188 NE ARG A 11 11.836 5.610 9.235 1.00 6.90 N ATOM 189 CZ ARG A 11 11.295 6.172 10.311 1.00 7.99 C ATOM 190 NH1 ARG A 11 11.343 7.488 10.472 1.00 8.52 N ATOM 191 NH2 ARG A 11 10.703 5.420 11.227 1.00 8.73 N ATOM 0 H ARG A 11 15.777 4.607 6.746 1.00 3.22 H new ATOM 0 HA ARG A 11 13.952 4.827 4.558 1.00 3.83 H new ATOM 0 HB2 ARG A 11 14.749 6.861 6.673 1.00 4.72 H new ATOM 0 HB3 ARG A 11 13.322 6.932 5.658 1.00 4.72 H new ATOM 0 HG2 ARG A 11 12.506 4.809 6.696 1.00 5.10 H new ATOM 0 HG3 ARG A 11 13.913 4.798 7.741 1.00 5.10 H new ATOM 0 HD2 ARG A 11 13.223 7.051 8.625 1.00 6.23 H new ATOM 0 HD3 ARG A 11 11.776 6.963 7.642 1.00 6.23 H new ATOM 0 HE ARG A 11 11.778 4.596 9.142 1.00 6.90 H new ATOM 0 HH11 ARG A 11 11.796 8.072 9.769 1.00 8.52 H new ATOM 0 HH12 ARG A 11 10.927 7.916 11.299 1.00 8.52 H new ATOM 0 HH21 ARG A 11 10.662 4.408 11.107 1.00 8.73 H new ATOM 0 HH22 ARG A 11 10.288 5.853 12.052 1.00 8.73 H new ATOM 205 N THR A 12 15.496 5.875 2.879 1.00 3.70 N ATOM 206 CA THR A 12 16.205 6.630 1.853 1.00 4.16 C ATOM 207 C THR A 12 15.240 7.161 0.799 1.00 3.92 C ATOM 208 O THR A 12 15.316 8.323 0.403 1.00 4.67 O ATOM 209 CB THR A 12 17.285 5.773 1.168 1.00 5.12 C ATOM 210 OG1 THR A 12 16.685 4.627 0.551 1.00 5.44 O ATOM 211 CG2 THR A 12 18.332 5.322 2.174 1.00 5.83 C ATOM 0 H THR A 12 15.020 5.041 2.535 1.00 3.70 H new ATOM 0 HA THR A 12 16.688 7.470 2.353 1.00 4.16 H new ATOM 0 HB THR A 12 17.772 6.381 0.406 1.00 5.12 H new ATOM 0 HG1 THR A 12 17.387 4.035 0.208 1.00 5.44 H new ATOM 0 HG21 THR A 12 19.086 4.718 1.669 1.00 5.83 H new ATOM 0 HG22 THR A 12 18.807 6.195 2.621 1.00 5.83 H new ATOM 0 HG23 THR A 12 17.855 4.729 2.954 1.00 5.83 H new ATOM 219 N ASP A 13 14.334 6.300 0.348 1.00 3.22 N ATOM 220 CA ASP A 13 13.347 6.686 -0.656 1.00 3.33 C ATOM 221 C ASP A 13 12.180 7.422 -0.009 1.00 3.09 C ATOM 222 O ASP A 13 11.288 6.805 0.571 1.00 3.22 O ATOM 223 CB ASP A 13 12.839 5.453 -1.406 1.00 3.75 C ATOM 224 CG ASP A 13 13.892 4.851 -2.315 1.00 4.30 C ATOM 225 OD1 ASP A 13 14.772 4.127 -1.804 1.00 4.64 O ATOM 226 OD2 ASP A 13 13.836 5.104 -3.537 1.00 4.78 O ATOM 0 H ASP A 13 14.262 5.332 0.661 1.00 3.22 H new ATOM 0 HA ASP A 13 13.829 7.357 -1.367 1.00 3.33 H new ATOM 0 HB2 ASP A 13 12.513 4.702 -0.686 1.00 3.75 H new ATOM 0 HB3 ASP A 13 11.966 5.726 -1.998 1.00 3.75 H new ATOM 231 N ILE A 14 12.195 8.747 -0.114 1.00 3.29 N ATOM 232 CA ILE A 14 11.143 9.571 0.463 1.00 3.41 C ATOM 233 C ILE A 14 10.014 9.808 -0.533 1.00 3.25 C ATOM 234 O ILE A 14 10.228 10.347 -1.619 1.00 3.86 O ATOM 235 CB ILE A 14 11.691 10.925 0.944 1.00 4.31 C ATOM 236 CG1 ILE A 14 12.543 11.583 -0.148 1.00 4.96 C ATOM 237 CG2 ILE A 14 12.504 10.737 2.215 1.00 4.85 C ATOM 238 CD1 ILE A 14 12.913 13.020 0.156 1.00 5.69 C ATOM 0 H ILE A 14 12.926 9.272 -0.594 1.00 3.29 H new ATOM 0 HA ILE A 14 10.750 9.025 1.320 1.00 3.41 H new ATOM 0 HB ILE A 14 10.850 11.584 1.161 1.00 4.31 H new ATOM 0 HG12 ILE A 14 13.455 11.003 -0.284 1.00 4.96 H new ATOM 0 HG13 ILE A 14 11.999 11.548 -1.092 1.00 4.96 H new ATOM 0 HG21 ILE A 14 12.888 11.702 2.548 1.00 4.85 H new ATOM 0 HG22 ILE A 14 11.870 10.311 2.993 1.00 4.85 H new ATOM 0 HG23 ILE A 14 13.338 10.063 2.017 1.00 4.85 H new ATOM 0 HD11 ILE A 14 13.515 13.421 -0.659 1.00 5.69 H new ATOM 0 HD12 ILE A 14 12.006 13.614 0.263 1.00 5.69 H new ATOM 0 HD13 ILE A 14 13.485 13.060 1.083 1.00 5.69 H new ATOM 250 N SER A 15 8.810 9.399 -0.151 1.00 2.93 N ATOM 251 CA SER A 15 7.635 9.564 -1.000 1.00 3.17 C ATOM 252 C SER A 15 6.957 10.905 -0.732 1.00 3.04 C ATOM 253 O SER A 15 6.647 11.236 0.412 1.00 3.46 O ATOM 254 CB SER A 15 6.644 8.425 -0.762 1.00 3.92 C ATOM 255 OG SER A 15 7.234 7.167 -1.043 1.00 4.48 O ATOM 0 H SER A 15 8.621 8.949 0.745 1.00 2.93 H new ATOM 0 HA SER A 15 7.962 9.541 -2.040 1.00 3.17 H new ATOM 0 HB2 SER A 15 6.302 8.447 0.273 1.00 3.92 H new ATOM 0 HB3 SER A 15 5.765 8.566 -1.391 1.00 3.92 H new ATOM 0 HG SER A 15 6.580 6.455 -0.881 1.00 4.48 H new ATOM 261 N THR A 16 6.730 11.669 -1.795 1.00 3.11 N ATOM 262 CA THR A 16 6.085 12.971 -1.676 1.00 3.49 C ATOM 263 C THR A 16 4.584 12.857 -1.926 1.00 3.37 C ATOM 264 O THR A 16 4.142 12.763 -3.071 1.00 3.91 O ATOM 265 CB THR A 16 6.688 13.990 -2.661 1.00 4.41 C ATOM 266 OG1 THR A 16 6.544 13.517 -4.005 1.00 5.01 O ATOM 267 CG2 THR A 16 8.161 14.228 -2.359 1.00 4.91 C ATOM 0 H THR A 16 6.983 11.409 -2.748 1.00 3.11 H new ATOM 0 HA THR A 16 6.257 13.323 -0.659 1.00 3.49 H new ATOM 0 HB THR A 16 6.152 14.932 -2.548 1.00 4.41 H new ATOM 0 HG1 THR A 16 5.657 13.115 -4.117 1.00 5.01 H new ATOM 0 HG21 THR A 16 8.565 14.951 -3.067 1.00 4.91 H new ATOM 0 HG22 THR A 16 8.267 14.615 -1.345 1.00 4.91 H new ATOM 0 HG23 THR A 16 8.707 13.289 -2.448 1.00 4.91 H new ATOM 275 N SER A 17 3.810 12.860 -0.845 1.00 3.24 N ATOM 276 CA SER A 17 2.358 12.751 -0.933 1.00 3.69 C ATOM 277 C SER A 17 1.952 11.485 -1.685 1.00 3.45 C ATOM 278 O SER A 17 1.674 11.524 -2.885 1.00 3.97 O ATOM 279 CB SER A 17 1.770 13.983 -1.623 1.00 4.53 C ATOM 280 OG SER A 17 2.042 15.161 -0.882 1.00 5.14 O ATOM 0 H SER A 17 4.167 12.937 0.107 1.00 3.24 H new ATOM 0 HA SER A 17 1.962 12.692 0.081 1.00 3.69 H new ATOM 0 HB2 SER A 17 2.187 14.076 -2.626 1.00 4.53 H new ATOM 0 HB3 SER A 17 0.693 13.861 -1.736 1.00 4.53 H new ATOM 0 HG SER A 17 1.657 15.935 -1.345 1.00 5.14 H new HETATM 286 N SEP A 18 1.929 10.364 -0.971 1.00 3.24 N HETATM 287 CA SEP A 18 1.561 9.083 -1.565 1.00 3.51 C HETATM 288 CB SEP A 18 2.761 8.463 -2.283 1.00 4.22 C HETATM 289 OG SEP A 18 3.265 9.331 -3.282 1.00 4.91 O HETATM 290 C SEP A 18 1.043 8.124 -0.499 1.00 3.38 C HETATM 291 O SEP A 18 1.744 7.820 0.467 1.00 3.80 O HETATM 292 P SEP A 18 2.760 8.824 -4.724 1.00 5.94 P HETATM 293 O1P SEP A 18 1.177 9.091 -4.849 1.00 6.40 O HETATM 294 O2P SEP A 18 3.404 9.761 -5.864 1.00 6.72 O HETATM 295 O3P SEP A 18 3.382 7.368 -5.015 1.00 6.40 O HETATM 0 HB3 SEP A 18 3.546 8.242 -1.560 1.00 4.22 H new HETATM 0 HB2 SEP A 18 2.468 7.515 -2.735 1.00 4.22 H new HETATM 0 HA SEP A 18 0.767 9.261 -2.290 1.00 3.51 H new ATOM 300 N SER A 19 -0.185 7.650 -0.680 1.00 3.41 N ATOM 301 CA SER A 19 -0.796 6.727 0.269 1.00 3.79 C ATOM 302 C SER A 19 -1.247 5.448 -0.427 1.00 3.53 C ATOM 303 O SER A 19 -1.730 5.482 -1.558 1.00 4.02 O ATOM 304 CB SER A 19 -1.984 7.388 0.962 1.00 4.61 C ATOM 305 OG SER A 19 -1.593 8.588 1.610 1.00 5.16 O ATOM 0 H SER A 19 -0.777 7.890 -1.475 1.00 3.41 H new ATOM 0 HA SER A 19 -0.046 6.467 1.016 1.00 3.79 H new ATOM 0 HB2 SER A 19 -2.763 7.603 0.230 1.00 4.61 H new ATOM 0 HB3 SER A 19 -2.413 6.700 1.691 1.00 4.61 H new ATOM 0 HG SER A 19 -2.372 8.994 2.045 1.00 5.16 H new ATOM 311 N SER A 20 -1.087 4.320 0.259 1.00 3.31 N ATOM 312 CA SER A 20 -1.478 3.027 -0.293 1.00 3.51 C ATOM 313 C SER A 20 -2.987 2.951 -0.473 1.00 3.30 C ATOM 314 O SER A 20 -3.743 3.001 0.497 1.00 3.79 O ATOM 315 CB SER A 20 -1.005 1.893 0.620 1.00 4.38 C ATOM 316 OG SER A 20 -1.359 0.629 0.086 1.00 4.81 O ATOM 0 H SER A 20 -0.690 4.275 1.197 1.00 3.31 H new ATOM 0 HA SER A 20 -1.005 2.918 -1.269 1.00 3.51 H new ATOM 0 HB2 SER A 20 0.076 1.949 0.745 1.00 4.38 H new ATOM 0 HB3 SER A 20 -1.447 2.010 1.610 1.00 4.38 H new ATOM 0 HG SER A 20 -1.045 -0.079 0.686 1.00 4.81 H new ATOM 322 N ILE A 21 -3.420 2.834 -1.723 1.00 3.09 N ATOM 323 CA ILE A 21 -4.841 2.751 -2.036 1.00 3.24 C ATOM 324 C ILE A 21 -5.201 1.369 -2.574 1.00 2.99 C ATOM 325 O ILE A 21 -4.404 0.740 -3.270 1.00 3.33 O ATOM 326 CB ILE A 21 -5.249 3.824 -3.065 1.00 4.14 C ATOM 327 CG1 ILE A 21 -6.757 3.771 -3.327 1.00 4.88 C ATOM 328 CG2 ILE A 21 -4.468 3.641 -4.359 1.00 4.64 C ATOM 329 CD1 ILE A 21 -7.257 4.872 -4.239 1.00 5.67 C ATOM 0 H ILE A 21 -2.806 2.794 -2.537 1.00 3.09 H new ATOM 0 HA ILE A 21 -5.387 2.927 -1.109 1.00 3.24 H new ATOM 0 HB ILE A 21 -5.010 4.806 -2.657 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -7.006 2.806 -3.767 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -7.284 3.833 -2.375 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -4.767 4.406 -5.076 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -3.401 3.731 -4.156 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -4.676 2.654 -4.773 1.00 4.64 H new ATOM 0 HD11 ILE A 21 -8.333 4.769 -4.378 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -7.040 5.842 -3.791 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -6.758 4.799 -5.205 1.00 5.67 H new ATOM 341 N SER A 22 -6.403 0.906 -2.241 1.00 3.04 N ATOM 342 CA SER A 22 -6.881 -0.403 -2.685 1.00 3.37 C ATOM 343 C SER A 22 -5.995 -1.522 -2.146 1.00 3.04 C ATOM 344 O SER A 22 -4.895 -1.755 -2.649 1.00 3.30 O ATOM 345 CB SER A 22 -6.932 -0.464 -4.214 1.00 4.25 C ATOM 346 OG SER A 22 -7.775 0.548 -4.737 1.00 4.88 O ATOM 0 H SER A 22 -7.068 1.420 -1.662 1.00 3.04 H new ATOM 0 HA SER A 22 -7.888 -0.543 -2.291 1.00 3.37 H new ATOM 0 HB2 SER A 22 -5.927 -0.350 -4.619 1.00 4.25 H new ATOM 0 HB3 SER A 22 -7.294 -1.442 -4.530 1.00 4.25 H new ATOM 0 HG SER A 22 -7.789 0.489 -5.715 1.00 4.88 H new ATOM 352 N SER A 23 -6.483 -2.212 -1.120 1.00 3.13 N ATOM 353 CA SER A 23 -5.737 -3.307 -0.511 1.00 3.35 C ATOM 354 C SER A 23 -6.676 -4.430 -0.081 1.00 3.36 C ATOM 355 O SER A 23 -7.707 -4.184 0.545 1.00 3.88 O ATOM 356 CB SER A 23 -4.945 -2.799 0.694 1.00 4.13 C ATOM 357 OG SER A 23 -4.189 -3.843 1.286 1.00 4.88 O ATOM 0 H SER A 23 -7.392 -2.032 -0.693 1.00 3.13 H new ATOM 0 HA SER A 23 -5.044 -3.702 -1.254 1.00 3.35 H new ATOM 0 HB2 SER A 23 -4.278 -1.995 0.382 1.00 4.13 H new ATOM 0 HB3 SER A 23 -5.629 -2.378 1.431 1.00 4.13 H new ATOM 0 HG SER A 23 -3.691 -3.492 2.053 1.00 4.88 H new ATOM 363 N SER A 24 -6.311 -5.662 -0.423 1.00 3.40 N ATOM 364 CA SER A 24 -7.118 -6.826 -0.072 1.00 3.90 C ATOM 365 C SER A 24 -6.628 -7.454 1.228 1.00 3.96 C ATOM 366 O SER A 24 -5.836 -6.857 1.957 1.00 4.39 O ATOM 367 CB SER A 24 -7.076 -7.860 -1.199 1.00 4.61 C ATOM 368 OG SER A 24 -5.748 -8.279 -1.458 1.00 5.15 O ATOM 0 H SER A 24 -5.461 -5.880 -0.943 1.00 3.40 H new ATOM 0 HA SER A 24 -8.147 -6.495 0.070 1.00 3.90 H new ATOM 0 HB2 SER A 24 -7.686 -8.722 -0.929 1.00 4.61 H new ATOM 0 HB3 SER A 24 -7.509 -7.434 -2.104 1.00 4.61 H new ATOM 0 HG SER A 24 -5.161 -7.972 -0.735 1.00 5.15 H new ATOM 374 N GLU A 25 -7.107 -8.663 1.515 1.00 4.07 N ATOM 375 CA GLU A 25 -6.719 -9.369 2.731 1.00 4.62 C ATOM 376 C GLU A 25 -6.070 -10.713 2.403 1.00 4.68 C ATOM 377 O GLU A 25 -5.124 -11.131 3.070 1.00 5.17 O ATOM 378 CB GLU A 25 -7.936 -9.582 3.630 1.00 5.35 C ATOM 379 CG GLU A 25 -7.600 -10.206 4.974 1.00 5.98 C ATOM 380 CD GLU A 25 -6.681 -9.334 5.806 1.00 6.66 C ATOM 381 OE1 GLU A 25 -7.192 -8.470 6.549 1.00 7.02 O ATOM 382 OE2 GLU A 25 -5.448 -9.514 5.716 1.00 7.09 O ATOM 0 H GLU A 25 -7.763 -9.172 0.922 1.00 4.07 H new ATOM 0 HA GLU A 25 -5.988 -8.756 3.258 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -8.426 -8.623 3.797 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -8.652 -10.220 3.112 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -8.522 -10.388 5.527 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -7.128 -11.175 4.813 1.00 5.98 H new ATOM 389 N GLU A 26 -6.584 -11.382 1.377 1.00 4.59 N ATOM 390 CA GLU A 26 -6.053 -12.681 0.969 1.00 4.97 C ATOM 391 C GLU A 26 -4.721 -12.520 0.239 1.00 5.28 C ATOM 392 O GLU A 26 -3.997 -13.491 0.019 1.00 5.48 O ATOM 393 CB GLU A 26 -7.063 -13.407 0.073 1.00 5.48 C ATOM 394 CG GLU A 26 -6.626 -14.804 -0.344 1.00 6.31 C ATOM 395 CD GLU A 26 -6.423 -15.731 0.839 1.00 7.06 C ATOM 396 OE1 GLU A 26 -7.403 -16.382 1.256 1.00 7.35 O ATOM 397 OE2 GLU A 26 -5.284 -15.803 1.349 1.00 7.57 O ATOM 0 H GLU A 26 -7.366 -11.049 0.813 1.00 4.59 H new ATOM 0 HA GLU A 26 -5.881 -13.277 1.865 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -8.015 -13.477 0.598 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -7.236 -12.809 -0.822 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -7.375 -15.231 -1.011 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -5.697 -14.736 -0.911 1.00 6.31 H new ATOM 404 N ASN A 27 -4.403 -11.284 -0.126 1.00 5.74 N ATOM 405 CA ASN A 27 -3.162 -10.988 -0.831 1.00 6.47 C ATOM 406 C ASN A 27 -2.597 -9.638 -0.402 1.00 6.96 C ATOM 407 O ASN A 27 -3.148 -8.589 -0.736 1.00 7.28 O ATOM 408 CB ASN A 27 -3.397 -11.000 -2.344 1.00 7.13 C ATOM 409 CG ASN A 27 -3.663 -12.394 -2.876 1.00 7.39 C ATOM 410 OD1 ASN A 27 -4.803 -12.862 -2.882 1.00 7.45 O ATOM 411 ND2 ASN A 27 -2.612 -13.066 -3.329 1.00 7.88 N ATOM 0 H ASN A 27 -4.989 -10.469 0.055 1.00 5.74 H new ATOM 0 HA ASN A 27 -2.436 -11.760 -0.576 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -4.243 -10.355 -2.583 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -2.525 -10.582 -2.848 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -2.731 -14.008 -3.701 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -1.685 -12.640 -3.305 1.00 7.88 H new ATOM 418 N ASP A 28 -1.493 -9.671 0.338 1.00 7.36 N ATOM 419 CA ASP A 28 -0.853 -8.449 0.816 1.00 8.13 C ATOM 420 C ASP A 28 0.562 -8.728 1.312 1.00 8.78 C ATOM 421 O ASP A 28 0.767 -9.541 2.214 1.00 8.92 O ATOM 422 CB ASP A 28 -1.684 -7.820 1.934 1.00 8.07 C ATOM 423 CG ASP A 28 -1.887 -8.762 3.103 1.00 8.34 C ATOM 424 OD1 ASP A 28 -2.828 -9.581 3.051 1.00 8.86 O ATOM 425 OD2 ASP A 28 -1.106 -8.680 4.074 1.00 8.25 O ATOM 0 H ASP A 28 -1.022 -10.531 0.620 1.00 7.36 H new ATOM 0 HA ASP A 28 -0.791 -7.752 -0.020 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -1.191 -6.913 2.283 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -2.655 -7.522 1.538 1.00 8.07 H new ATOM 430 N PHE A 29 1.537 -8.046 0.716 1.00 9.40 N ATOM 431 CA PHE A 29 2.936 -8.212 1.100 1.00 10.21 C ATOM 432 C PHE A 29 3.809 -7.164 0.420 1.00 10.89 C ATOM 433 O PHE A 29 4.809 -6.711 0.980 1.00 11.63 O ATOM 434 CB PHE A 29 3.426 -9.618 0.742 1.00 10.26 C ATOM 435 CG PHE A 29 4.607 -10.067 1.556 1.00 10.82 C ATOM 436 CD1 PHE A 29 5.886 -9.644 1.233 1.00 11.23 C ATOM 437 CD2 PHE A 29 4.438 -10.911 2.641 1.00 11.17 C ATOM 438 CE1 PHE A 29 6.976 -10.055 1.979 1.00 11.94 C ATOM 439 CE2 PHE A 29 5.522 -11.325 3.390 1.00 11.89 C ATOM 440 CZ PHE A 29 6.789 -10.899 3.063 1.00 12.27 C ATOM 0 H PHE A 29 1.384 -7.373 -0.035 1.00 9.40 H new ATOM 0 HA PHE A 29 3.011 -8.078 2.179 1.00 10.21 H new ATOM 0 HB2 PHE A 29 2.609 -10.325 0.882 1.00 10.26 H new ATOM 0 HB3 PHE A 29 3.692 -9.643 -0.315 1.00 10.26 H new ATOM 0 HD1 PHE A 29 6.034 -8.986 0.389 1.00 11.23 H new ATOM 0 HD2 PHE A 29 3.447 -11.249 2.905 1.00 11.17 H new ATOM 0 HE1 PHE A 29 7.969 -9.720 1.718 1.00 11.94 H new ATOM 0 HE2 PHE A 29 5.375 -11.984 4.233 1.00 11.89 H new ATOM 0 HZ PHE A 29 7.636 -11.222 3.650 1.00 12.27 H new ATOM 450 N TRP A 30 3.421 -6.787 -0.790 1.00 10.80 N ATOM 451 CA TRP A 30 4.154 -5.785 -1.559 1.00 11.62 C ATOM 452 C TRP A 30 3.196 -4.758 -2.157 1.00 11.74 C ATOM 453 O TRP A 30 2.884 -3.746 -1.528 1.00 11.80 O ATOM 454 CB TRP A 30 4.964 -6.450 -2.675 1.00 11.83 C ATOM 455 CG TRP A 30 6.219 -7.110 -2.194 1.00 12.25 C ATOM 456 CD1 TRP A 30 6.451 -8.449 -2.084 1.00 11.96 C ATOM 457 CD2 TRP A 30 7.413 -6.456 -1.758 1.00 13.24 C ATOM 458 NE1 TRP A 30 7.722 -8.668 -1.606 1.00 12.75 N ATOM 459 CE2 TRP A 30 8.332 -7.459 -1.399 1.00 13.51 C ATOM 460 CE3 TRP A 30 7.793 -5.117 -1.639 1.00 14.04 C ATOM 461 CZ2 TRP A 30 9.609 -7.165 -0.930 1.00 14.52 C ATOM 462 CZ3 TRP A 30 9.061 -4.827 -1.173 1.00 15.00 C ATOM 463 CH2 TRP A 30 9.956 -5.845 -0.824 1.00 15.22 C ATOM 0 H TRP A 30 2.599 -7.161 -1.264 1.00 10.80 H new ATOM 0 HA TRP A 30 4.839 -5.275 -0.882 1.00 11.62 H new ATOM 0 HB2 TRP A 30 4.340 -7.193 -3.172 1.00 11.83 H new ATOM 0 HB3 TRP A 30 5.222 -5.699 -3.422 1.00 11.83 H new ATOM 0 HD1 TRP A 30 5.741 -9.223 -2.335 1.00 11.96 H new ATOM 0 HE1 TRP A 30 8.142 -9.582 -1.434 1.00 12.75 H new ATOM 0 HE3 TRP A 30 7.109 -4.325 -1.906 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 10.301 -7.949 -0.660 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 9.367 -3.796 -1.076 1.00 15.00 H new ATOM 0 HH2 TRP A 30 10.940 -5.584 -0.464 1.00 15.22 H new ATOM 474 N GLN A 31 2.734 -5.027 -3.375 1.00 12.00 N ATOM 475 CA GLN A 31 1.807 -4.134 -4.059 1.00 12.38 C ATOM 476 C GLN A 31 0.791 -4.935 -4.873 1.00 12.61 C ATOM 477 O GLN A 31 0.782 -4.872 -6.103 1.00 13.31 O ATOM 478 CB GLN A 31 2.569 -3.172 -4.977 1.00 13.13 C ATOM 479 CG GLN A 31 3.493 -2.220 -4.237 1.00 13.49 C ATOM 480 CD GLN A 31 4.230 -1.281 -5.173 1.00 14.38 C ATOM 481 OE1 GLN A 31 4.515 -1.625 -6.320 1.00 14.83 O ATOM 482 NE2 GLN A 31 4.544 -0.084 -4.687 1.00 14.79 N ATOM 0 H GLN A 31 2.988 -5.858 -3.909 1.00 12.00 H new ATOM 0 HA GLN A 31 1.274 -3.555 -3.305 1.00 12.38 H new ATOM 0 HB2 GLN A 31 3.156 -3.752 -5.689 1.00 13.13 H new ATOM 0 HB3 GLN A 31 1.851 -2.590 -5.555 1.00 13.13 H new ATOM 0 HG2 GLN A 31 2.912 -1.635 -3.524 1.00 13.49 H new ATOM 0 HG3 GLN A 31 4.217 -2.796 -3.661 1.00 13.49 H new ATOM 0 HE21 GLN A 31 4.289 0.161 -3.730 1.00 14.79 H new ATOM 0 HE22 GLN A 31 5.040 0.589 -5.271 1.00 14.79 H new ATOM 491 N PRO A 32 -0.079 -5.706 -4.193 1.00 12.22 N ATOM 492 CA PRO A 32 -1.095 -6.528 -4.860 1.00 12.64 C ATOM 493 C PRO A 32 -2.117 -5.684 -5.612 1.00 13.28 C ATOM 494 O PRO A 32 -2.469 -4.587 -5.179 1.00 13.53 O ATOM 495 CB PRO A 32 -1.773 -7.287 -3.711 1.00 12.20 C ATOM 496 CG PRO A 32 -0.850 -7.152 -2.549 1.00 11.50 C ATOM 497 CD PRO A 32 -0.149 -5.838 -2.729 1.00 11.56 C ATOM 0 HA PRO A 32 -0.651 -7.183 -5.610 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -2.753 -6.865 -3.486 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -1.929 -8.334 -3.970 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -1.401 -7.175 -1.609 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -0.136 -7.975 -2.520 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -0.704 -5.017 -2.275 1.00 11.56 H new ATOM 0 HD3 PRO A 32 0.842 -5.842 -2.275 1.00 11.56 H new ATOM 505 N LYS A 33 -2.592 -6.206 -6.739 1.00 13.73 N ATOM 506 CA LYS A 33 -3.575 -5.502 -7.553 1.00 14.53 C ATOM 507 C LYS A 33 -4.994 -5.833 -7.092 1.00 14.94 C ATOM 508 O LYS A 33 -5.236 -6.910 -6.547 1.00 14.74 O ATOM 509 CB LYS A 33 -3.411 -5.871 -9.031 1.00 15.05 C ATOM 510 CG LYS A 33 -2.206 -5.227 -9.699 1.00 15.26 C ATOM 511 CD LYS A 33 -0.896 -5.748 -9.128 1.00 15.45 C ATOM 512 CE LYS A 33 0.292 -5.294 -9.960 1.00 15.92 C ATOM 513 NZ LYS A 33 1.585 -5.708 -9.352 1.00 15.96 N ATOM 0 H LYS A 33 -2.311 -7.114 -7.109 1.00 13.73 H new ATOM 0 HA LYS A 33 -3.408 -4.432 -7.434 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -3.326 -6.954 -9.117 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -4.312 -5.578 -9.570 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -2.238 -5.422 -10.771 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -2.254 -4.146 -9.570 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -0.779 -5.397 -8.103 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -0.921 -6.837 -9.091 1.00 15.45 H new ATOM 0 HE2 LYS A 33 0.213 -5.711 -10.964 1.00 15.92 H new ATOM 0 HE3 LYS A 33 0.270 -4.209 -10.063 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 2.370 -5.380 -9.949 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 1.673 -5.290 -8.404 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 1.617 -6.745 -9.277 1.00 15.96 H new ATOM 527 N PRO A 34 -5.951 -4.910 -7.303 1.00 15.67 N ATOM 528 CA PRO A 34 -7.345 -5.123 -6.905 1.00 16.28 C ATOM 529 C PRO A 34 -8.076 -6.081 -7.838 1.00 16.68 C ATOM 530 O PRO A 34 -9.303 -6.183 -7.794 1.00 17.30 O ATOM 531 CB PRO A 34 -7.947 -3.720 -6.997 1.00 17.11 C ATOM 532 CG PRO A 34 -7.150 -3.042 -8.057 1.00 17.01 C ATOM 533 CD PRO A 34 -5.753 -3.593 -7.943 1.00 16.12 C ATOM 0 HA PRO A 34 -7.427 -5.577 -5.917 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -9.004 -3.758 -7.258 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -7.873 -3.193 -6.046 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -7.567 -3.238 -9.045 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -7.156 -1.961 -7.918 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -5.279 -3.689 -8.920 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -5.115 -2.946 -7.341 1.00 16.12 H new ATOM 541 N THR A 35 -7.307 -6.786 -8.674 1.00 16.46 N ATOM 542 CA THR A 35 -7.855 -7.745 -9.637 1.00 16.96 C ATOM 543 C THR A 35 -9.196 -7.281 -10.204 1.00 17.77 C ATOM 544 O THR A 35 -9.183 -6.428 -11.117 1.00 18.01 O ATOM 545 CB THR A 35 -8.006 -9.159 -9.024 1.00 16.93 C ATOM 546 OG1 THR A 35 -8.765 -9.997 -9.902 1.00 16.96 O ATOM 547 CG2 THR A 35 -8.679 -9.113 -7.659 1.00 16.89 C ATOM 548 OXT THR A 35 -10.246 -7.771 -9.736 1.00 18.27 O ATOM 0 H THR A 35 -6.290 -6.708 -8.702 1.00 16.46 H new ATOM 0 HA THR A 35 -7.135 -7.799 -10.454 1.00 16.96 H new ATOM 0 HB THR A 35 -7.004 -9.569 -8.895 1.00 16.93 H new ATOM 0 HG1 THR A 35 -9.692 -9.680 -9.937 1.00 16.96 H new ATOM 0 HG21 THR A 35 -8.767 -10.124 -7.262 1.00 16.89 H new ATOM 0 HG22 THR A 35 -8.081 -8.507 -6.979 1.00 16.89 H new ATOM 0 HG23 THR A 35 -9.672 -8.675 -7.758 1.00 16.89 H new TER 556 THR A 35