USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 294 hydrogens (35 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 9 HYP H : A 9 HYP N : A 8 LYS C :(H bumps) USER MOD NoAdj-H: A 13 HYP H : A 13 HYP N : A 12 PHE C :(H bumps) USER MOD NoAdj-H: A 15 HYP H : A 15 HYP N : A 14 ILE C :(H bumps) USER MOD NoAdj-H: A 17 HYP H : A 17 HYP N : A 16 SER C :(H bumps) USER MOD NoAdj-H: A 19 HYP H : A 19 HYP N : A 18 ASN C :(H bumps) USER MOD Single : A 1 TRP N :NH3+ -146:sc= 0.637 (180deg=0.0837) USER MOD Single : A 6 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.54) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= -0.192 (180deg=-1.11) USER MOD Single : A 13 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 15 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -1.87 USER MOD Single : A 17 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0212 K(o=-0.021,f=-1.8!) USER MOD Single : A 19 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 22.478 -6.667 9.420 1.00 0.00 N ATOM 2 CA TRP A 1 21.879 -6.710 10.742 1.00 0.00 C ATOM 3 C TRP A 1 21.706 -5.270 11.230 1.00 0.00 C ATOM 4 O TRP A 1 20.607 -4.867 11.607 1.00 0.00 O ATOM 5 CB TRP A 1 22.713 -7.568 11.695 1.00 0.00 C ATOM 6 CG TRP A 1 21.887 -8.326 12.737 1.00 0.00 C ATOM 7 CD1 TRP A 1 20.745 -7.941 13.323 1.00 0.00 C ATOM 8 CD2 TRP A 1 22.186 -9.624 13.293 1.00 0.00 C ATOM 9 NE1 TRP A 1 20.289 -8.891 14.214 1.00 0.00 N ATOM 10 CE2 TRP A 1 21.193 -9.946 14.195 1.00 0.00 C ATOM 11 CE3 TRP A 1 23.260 -10.495 13.043 1.00 0.00 C ATOM 12 CZ2 TRP A 1 21.175 -11.145 14.919 1.00 0.00 C ATOM 13 CZ3 TRP A 1 23.228 -11.688 13.775 1.00 0.00 C ATOM 14 CH2 TRP A 1 22.236 -12.028 14.687 1.00 0.00 C ATOM 0 H1 TRP A 1 22.109 -7.452 8.846 1.00 0.00 H new ATOM 0 H2 TRP A 1 22.243 -5.763 8.962 1.00 0.00 H new ATOM 0 H3 TRP A 1 23.511 -6.755 9.504 1.00 0.00 H new ATOM 0 HA TRP A 1 20.899 -7.185 10.706 1.00 0.00 H new ATOM 0 HB2 TRP A 1 23.289 -8.286 11.111 1.00 0.00 H new ATOM 0 HB3 TRP A 1 23.430 -6.928 12.210 1.00 0.00 H new ATOM 0 HD1 TRP A 1 20.245 -7.005 13.123 1.00 0.00 H new ATOM 0 HE1 TRP A 1 19.444 -8.830 14.782 1.00 0.00 H new ATOM 0 HE3 TRP A 1 24.048 -10.263 12.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 20.385 -11.376 15.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 24.031 -12.394 13.620 1.00 0.00 H new ATOM 0 HH2 TRP A 1 22.284 -12.969 15.214 1.00 0.00 H new ATOM 25 N GLU A 2 22.808 -4.536 11.210 1.00 0.00 N ATOM 26 CA GLU A 2 22.792 -3.150 11.645 1.00 0.00 C ATOM 27 C GLU A 2 21.958 -3.003 12.918 1.00 0.00 C ATOM 28 O GLU A 2 21.658 -3.992 13.586 1.00 0.00 O ATOM 29 CB GLU A 2 22.268 -2.232 10.537 1.00 0.00 C ATOM 30 CG GLU A 2 20.778 -2.473 10.285 1.00 0.00 C ATOM 31 CD GLU A 2 20.568 -3.609 9.281 1.00 0.00 C ATOM 32 OE1 GLU A 2 21.560 -3.958 8.605 1.00 0.00 O ATOM 33 OE2 GLU A 2 19.422 -4.101 9.212 1.00 0.00 O ATOM 0 H GLU A 2 23.718 -4.875 10.899 1.00 0.00 H new ATOM 0 HA GLU A 2 23.816 -2.848 11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 2 22.430 -1.191 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 2 22.829 -2.407 9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 2 20.281 -2.717 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 2 20.317 -1.560 9.908 1.00 0.00 H new ATOM 40 N TRP A 3 21.606 -1.761 13.218 1.00 0.00 N ATOM 41 CA TRP A 3 20.812 -1.473 14.400 1.00 0.00 C ATOM 42 C TRP A 3 19.450 -0.952 13.939 1.00 0.00 C ATOM 43 O TRP A 3 19.286 -0.298 12.908 1.00 0.00 O ATOM 44 CB TRP A 3 21.542 -0.498 15.327 1.00 0.00 C ATOM 45 CG TRP A 3 22.733 -1.114 16.064 1.00 0.00 C ATOM 46 CD1 TRP A 3 23.955 -1.378 15.583 1.00 0.00 C ATOM 47 CD2 TRP A 3 22.764 -1.535 17.444 1.00 0.00 C ATOM 48 NE1 TRP A 3 24.769 -1.936 16.547 1.00 0.00 N ATOM 49 CE2 TRP A 3 24.022 -2.035 17.716 1.00 0.00 C ATOM 50 CE3 TRP A 3 21.764 -1.496 18.431 1.00 0.00 C ATOM 51 CZ2 TRP A 3 24.396 -2.532 18.970 1.00 0.00 C ATOM 52 CZ3 TRP A 3 22.153 -1.996 19.680 1.00 0.00 C ATOM 53 CH2 TRP A 3 23.416 -2.503 19.968 1.00 0.00 C ATOM 0 H TRP A 3 21.856 -0.943 12.663 1.00 0.00 H new ATOM 0 HA TRP A 3 20.658 -2.376 14.990 1.00 0.00 H new ATOM 0 HB2 TRP A 3 21.891 0.352 14.741 1.00 0.00 H new ATOM 0 HB3 TRP A 3 20.835 -0.111 16.060 1.00 0.00 H new ATOM 0 HD1 TRP A 3 24.264 -1.179 14.568 1.00 0.00 H new ATOM 0 HE1 TRP A 3 25.740 -2.223 16.425 1.00 0.00 H new ATOM 0 HE3 TRP A 3 20.773 -1.111 18.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 25.388 -2.917 19.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 21.422 -1.987 20.475 1.00 0.00 H new ATOM 0 HH2 TRP A 3 23.639 -2.873 20.958 1.00 0.00 H new ATOM 64 N PRO A 4 18.418 -1.261 14.749 1.00 0.00 N ATOM 65 CA PRO A 4 17.008 -0.974 14.374 1.00 0.00 C ATOM 66 C PRO A 4 16.590 0.529 14.220 1.00 0.00 C ATOM 67 O PRO A 4 16.117 1.019 15.244 1.00 0.00 O ATOM 68 CB PRO A 4 16.252 -1.748 15.476 1.00 0.00 C ATOM 69 CG PRO A 4 17.206 -1.812 16.677 1.00 0.00 C ATOM 70 CD PRO A 4 18.598 -1.924 16.053 1.00 0.00 C ATOM 0 HA PRO A 4 16.782 -1.285 13.354 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.324 -1.242 15.741 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.984 -2.749 15.137 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.121 -0.922 17.300 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.986 -2.669 17.314 1.00 0.00 H new ATOM 0 HD2 PRO A 4 19.356 -1.428 16.659 1.00 0.00 H new ATOM 0 HD3 PRO A 4 18.910 -2.962 15.941 1.00 0.00 H new ATOM 78 N TRP A 5 16.742 1.181 13.077 1.00 0.00 N ATOM 79 CA TRP A 5 16.342 2.572 12.949 1.00 0.00 C ATOM 80 C TRP A 5 16.036 2.844 11.476 1.00 0.00 C ATOM 81 O TRP A 5 16.529 3.815 10.903 1.00 0.00 O ATOM 82 CB TRP A 5 17.414 3.505 13.518 1.00 0.00 C ATOM 83 CG TRP A 5 18.673 3.605 12.655 1.00 0.00 C ATOM 84 CD1 TRP A 5 19.704 2.751 12.597 1.00 0.00 C ATOM 85 CD2 TRP A 5 18.995 4.659 11.724 1.00 0.00 C ATOM 86 NE1 TRP A 5 20.663 3.174 11.699 1.00 0.00 N ATOM 87 CE2 TRP A 5 20.218 4.372 11.151 1.00 0.00 C ATOM 88 CE3 TRP A 5 18.276 5.816 11.376 1.00 0.00 C ATOM 89 CZ2 TRP A 5 20.829 5.195 10.197 1.00 0.00 C ATOM 90 CZ3 TRP A 5 18.901 6.627 10.420 1.00 0.00 C ATOM 91 CH2 TRP A 5 20.131 6.353 9.835 1.00 0.00 C ATOM 0 H TRP A 5 17.137 0.771 12.230 1.00 0.00 H new ATOM 0 HA TRP A 5 15.443 2.769 13.533 1.00 0.00 H new ATOM 0 HB2 TRP A 5 16.988 4.501 13.638 1.00 0.00 H new ATOM 0 HB3 TRP A 5 17.694 3.157 14.512 1.00 0.00 H new ATOM 0 HD1 TRP A 5 19.776 1.845 13.180 1.00 0.00 H new ATOM 0 HE1 TRP A 5 21.537 2.696 11.478 1.00 0.00 H new ATOM 0 HE3 TRP A 5 17.318 6.060 11.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 21.787 4.949 9.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 18.391 7.529 10.116 1.00 0.00 H new ATOM 0 HH2 TRP A 5 20.547 7.031 9.104 1.00 0.00 H new ATOM 102 N ASN A 6 15.222 1.970 10.902 1.00 0.00 N ATOM 103 CA ASN A 6 14.843 2.102 9.506 1.00 0.00 C ATOM 104 C ASN A 6 14.067 0.857 9.072 1.00 0.00 C ATOM 105 O ASN A 6 14.648 -0.214 8.903 1.00 0.00 O ATOM 106 CB ASN A 6 16.077 2.226 8.610 1.00 0.00 C ATOM 107 CG ASN A 6 16.092 3.570 7.879 1.00 0.00 C ATOM 108 OD1 ASN A 6 15.067 4.104 7.488 1.00 0.00 O ATOM 109 ND2 ASN A 6 17.307 4.083 7.716 1.00 0.00 N ATOM 0 H ASN A 6 14.814 1.166 11.380 1.00 0.00 H new ATOM 0 HA ASN A 6 14.233 2.999 9.406 1.00 0.00 H new ATOM 0 HB2 ASN A 6 16.980 2.126 9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 6 16.087 1.413 7.884 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.423 4.977 7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 6 18.123 3.583 8.068 1.00 0.00 H new ATOM 116 N ARG A 7 12.765 1.040 8.904 1.00 0.00 N ATOM 117 CA ARG A 7 11.903 -0.055 8.492 1.00 0.00 C ATOM 118 C ARG A 7 11.028 0.373 7.312 1.00 0.00 C ATOM 119 O ARG A 7 9.819 0.544 7.461 1.00 0.00 O ATOM 120 CB ARG A 7 11.006 -0.512 9.645 1.00 0.00 C ATOM 121 CG ARG A 7 11.549 -1.788 10.290 1.00 0.00 C ATOM 122 CD ARG A 7 10.430 -2.807 10.518 1.00 0.00 C ATOM 123 NE ARG A 7 10.546 -3.389 11.873 1.00 0.00 N ATOM 124 CZ ARG A 7 9.748 -4.357 12.346 1.00 0.00 C ATOM 125 NH1 ARG A 7 8.772 -4.856 11.576 1.00 0.00 N ATOM 126 NH2 ARG A 7 9.926 -4.825 13.589 1.00 0.00 N ATOM 0 H ARG A 7 12.287 1.930 9.046 1.00 0.00 H new ATOM 0 HA ARG A 7 12.542 -0.886 8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.939 0.278 10.393 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.996 -0.688 9.276 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.318 -2.224 9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.024 -1.545 11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.459 -2.326 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.487 -3.596 9.768 1.00 0.00 H new ATOM 0 HE ARG A 7 11.279 -3.032 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.636 -4.500 10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.165 -5.592 11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.669 -4.445 14.176 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.319 -5.561 13.949 1.00 0.00 H new ATOM 140 N LYS A 8 11.674 0.534 6.166 1.00 0.00 N ATOM 141 CA LYS A 8 10.969 0.939 4.961 1.00 0.00 C ATOM 142 C LYS A 8 11.437 0.075 3.788 1.00 0.00 C ATOM 143 O LYS A 8 12.157 0.508 2.885 1.00 0.00 O ATOM 144 CB LYS A 8 11.135 2.441 4.724 1.00 0.00 C ATOM 145 CG LYS A 8 9.778 3.114 4.505 1.00 0.00 C ATOM 146 CD LYS A 8 9.797 4.560 5.003 1.00 0.00 C ATOM 147 CE LYS A 8 8.551 4.870 5.836 1.00 0.00 C ATOM 148 NZ LYS A 8 8.229 6.312 5.770 1.00 0.00 N ATOM 0 H LYS A 8 12.677 0.392 6.046 1.00 0.00 H new ATOM 0 HA LYS A 8 9.897 0.774 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.636 2.895 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.772 2.608 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.525 3.094 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.002 2.555 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.691 4.730 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.849 5.240 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.707 4.286 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.717 4.575 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.381 6.505 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.029 6.864 6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.050 6.583 4.782 1.00 0.00 H new HETATM 162 N HYP A 9 10.995 -1.229 3.813 1.00 0.00 N HETATM 163 CA HYP A 9 11.410 -2.249 2.830 1.00 0.00 C HETATM 164 C HYP A 9 11.047 -1.960 1.353 1.00 0.00 C HETATM 165 O HYP A 9 10.217 -1.096 1.074 1.00 0.00 O HETATM 166 CB HYP A 9 10.715 -3.539 3.309 1.00 0.00 C HETATM 167 CG HYP A 9 10.436 -3.286 4.794 1.00 0.00 C HETATM 168 CD HYP A 9 10.070 -1.799 4.786 1.00 0.00 C HETATM 169 OD1 HYP A 9 11.648 -3.476 5.504 1.00 0.00 O HETATM 0 HD23 HYP A 9 10.195 -1.349 5.771 1.00 0.00 H new HETATM 0 HD22 HYP A 9 9.032 -1.642 4.493 1.00 0.00 H new HETATM 0 HG HYP A 9 9.677 -3.925 5.245 1.00 0.00 H new HETATM 0 HD1 HYP A 9 11.496 -3.318 6.459 1.00 0.00 H new HETATM 0 HB3 HYP A 9 9.794 -3.724 2.756 1.00 0.00 H new HETATM 0 HB2 HYP A 9 11.353 -4.411 3.167 1.00 0.00 H new HETATM 0 HA HYP A 9 12.499 -2.295 2.805 1.00 0.00 H new ATOM 177 N THR A 10 11.573 -2.806 0.479 1.00 0.00 N ATOM 178 CA THR A 10 11.190 -2.768 -0.922 1.00 0.00 C ATOM 179 C THR A 10 9.665 -2.772 -1.059 1.00 0.00 C ATOM 180 O THR A 10 8.951 -2.980 -0.078 1.00 0.00 O ATOM 181 CB THR A 10 11.865 -3.945 -1.630 1.00 0.00 C ATOM 182 OG1 THR A 10 13.161 -4.005 -1.042 1.00 0.00 O ATOM 183 CG2 THR A 10 12.139 -3.661 -3.108 1.00 0.00 C ATOM 0 H THR A 10 12.261 -3.521 0.714 1.00 0.00 H new ATOM 0 HA THR A 10 11.526 -1.847 -1.398 1.00 0.00 H new ATOM 0 HB THR A 10 11.236 -4.831 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.668 -4.742 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 10 12.618 -4.528 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.198 -3.457 -3.620 1.00 0.00 H new ATOM 0 HG23 THR A 10 12.796 -2.795 -3.197 1.00 0.00 H new ATOM 191 N LYS A 11 9.212 -2.538 -2.281 1.00 0.00 N ATOM 192 CA LYS A 11 7.786 -2.511 -2.558 1.00 0.00 C ATOM 193 C LYS A 11 7.057 -1.836 -1.394 1.00 0.00 C ATOM 194 O LYS A 11 6.568 -2.511 -0.489 1.00 0.00 O ATOM 195 CB LYS A 11 7.274 -3.919 -2.871 1.00 0.00 C ATOM 196 CG LYS A 11 5.763 -4.015 -2.647 1.00 0.00 C ATOM 197 CD LYS A 11 5.089 -4.788 -3.783 1.00 0.00 C ATOM 198 CE LYS A 11 4.315 -5.992 -3.242 1.00 0.00 C ATOM 199 NZ LYS A 11 5.188 -6.829 -2.388 1.00 0.00 N ATOM 0 H LYS A 11 9.807 -2.365 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 11 7.582 -1.917 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.509 -4.174 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.786 -4.645 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.563 -4.510 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.337 -3.014 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.411 -4.128 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.842 -5.125 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.454 -5.650 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.929 -6.586 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.912 -7.827 -2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.178 -6.714 -2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.088 -6.535 -1.396 1.00 0.00 H new ATOM 213 N PHE A 12 7.008 -0.514 -1.455 1.00 0.00 N ATOM 214 CA PHE A 12 6.347 0.259 -0.418 1.00 0.00 C ATOM 215 C PHE A 12 5.018 -0.384 -0.017 1.00 0.00 C ATOM 216 O PHE A 12 4.493 -1.295 -0.662 1.00 0.00 O ATOM 217 CB PHE A 12 6.072 1.648 -1.001 1.00 0.00 C ATOM 218 CG PHE A 12 5.722 1.639 -2.490 1.00 0.00 C ATOM 219 CD1 PHE A 12 4.713 0.849 -2.946 1.00 0.00 C ATOM 220 CD2 PHE A 12 6.420 2.420 -3.357 1.00 0.00 C ATOM 221 CE1 PHE A 12 4.388 0.842 -4.329 1.00 0.00 C ATOM 222 CE2 PHE A 12 6.095 2.413 -4.739 1.00 0.00 C ATOM 223 CZ PHE A 12 5.086 1.623 -5.196 1.00 0.00 C ATOM 0 H PHE A 12 7.416 0.042 -2.207 1.00 0.00 H new ATOM 0 HA PHE A 12 6.979 0.307 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.252 2.107 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.950 2.275 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.160 0.228 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.222 3.046 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.586 0.216 -4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.649 3.035 -5.427 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.839 1.616 -6.247 1.00 0.00 H new HETATM 233 N HYP A 13 4.443 0.130 1.126 1.00 0.00 N HETATM 234 CA HYP A 13 3.215 -0.415 1.736 1.00 0.00 C HETATM 235 C HYP A 13 1.941 -0.376 0.857 1.00 0.00 C HETATM 236 O HYP A 13 1.551 0.688 0.377 1.00 0.00 O HETATM 237 CB HYP A 13 3.016 0.437 3.005 1.00 0.00 C HETATM 238 CG HYP A 13 4.410 0.994 3.306 1.00 0.00 C HETATM 239 CD HYP A 13 4.943 1.263 1.896 1.00 0.00 C HETATM 240 OD1 HYP A 13 5.170 -0.036 3.915 1.00 0.00 O HETATM 0 HD23 HYP A 13 6.032 1.311 1.880 1.00 0.00 H new HETATM 0 HD22 HYP A 13 4.576 2.211 1.501 1.00 0.00 H new HETATM 0 HG HYP A 13 4.435 1.865 3.961 1.00 0.00 H new HETATM 0 HD1 HYP A 13 6.070 0.297 4.116 1.00 0.00 H new HETATM 0 HB3 HYP A 13 2.295 1.237 2.838 1.00 0.00 H new HETATM 0 HB2 HYP A 13 2.640 -0.164 3.833 1.00 0.00 H new HETATM 0 HA HYP A 13 3.350 -1.482 1.914 1.00 0.00 H new ATOM 248 N ILE A 14 1.263 -1.513 0.815 1.00 0.00 N ATOM 249 CA ILE A 14 -0.039 -1.584 0.172 1.00 0.00 C ATOM 250 C ILE A 14 -1.132 -1.560 1.242 1.00 0.00 C ATOM 251 O ILE A 14 -1.077 -2.238 2.271 1.00 0.00 O ATOM 252 CB ILE A 14 -0.113 -2.798 -0.756 1.00 0.00 C ATOM 253 CG1 ILE A 14 1.265 -3.130 -1.335 1.00 0.00 C ATOM 254 CG2 ILE A 14 -1.159 -2.586 -1.853 1.00 0.00 C ATOM 255 CD1 ILE A 14 1.897 -4.312 -0.598 1.00 0.00 C ATOM 0 H ILE A 14 1.590 -2.392 1.215 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.197 -0.715 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.432 -3.659 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.171 -3.366 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.916 -2.259 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.192 -3.463 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.138 -2.434 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.894 -1.710 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.875 -4.528 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.011 -4.064 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.256 -5.188 -0.697 1.00 0.00 H new HETATM 267 N HYP A 15 -2.193 -0.722 0.973 1.00 0.00 N HETATM 268 CA HYP A 15 -3.301 -0.483 1.918 1.00 0.00 C HETATM 269 C HYP A 15 -3.895 -1.735 2.606 1.00 0.00 C HETATM 270 O HYP A 15 -4.020 -2.786 1.981 1.00 0.00 O HETATM 271 CB HYP A 15 -4.375 0.220 1.064 1.00 0.00 C HETATM 272 CG HYP A 15 -3.594 0.815 -0.110 1.00 0.00 C HETATM 273 CD HYP A 15 -2.553 -0.278 -0.369 1.00 0.00 C HETATM 274 OD1 HYP A 15 -2.948 1.992 0.346 1.00 0.00 O HETATM 0 HD23 HYP A 15 -1.689 0.109 -0.910 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -2.964 -1.092 -0.965 1.00 0.00 H new HETATM 0 HG HYP A 15 -4.189 1.074 -0.986 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -2.438 2.391 -0.390 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -5.134 -0.483 0.721 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -4.891 0.994 1.632 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.930 0.097 2.763 1.00 0.00 H new ATOM 282 N SER A 16 -4.379 -1.521 3.821 1.00 0.00 N ATOM 283 CA SER A 16 -5.119 -2.556 4.524 1.00 0.00 C ATOM 284 C SER A 16 -6.562 -2.601 4.020 1.00 0.00 C ATOM 285 O SER A 16 -7.093 -1.659 3.425 1.00 0.00 O ATOM 286 CB SER A 16 -5.092 -2.322 6.035 1.00 0.00 C ATOM 287 OG SER A 16 -5.035 -3.545 6.764 1.00 0.00 O ATOM 0 H SER A 16 -4.273 -0.647 4.336 1.00 0.00 H new ATOM 0 HA SER A 16 -4.641 -3.515 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.229 -1.707 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.980 -1.764 6.331 1.00 0.00 H new ATOM 0 HG SER A 16 -5.018 -3.353 7.725 1.00 0.00 H new HETATM 293 N HYP A 17 -7.234 -3.775 4.280 1.00 0.00 N HETATM 294 CA HYP A 17 -8.600 -4.058 3.795 1.00 0.00 C HETATM 295 C HYP A 17 -9.700 -3.063 4.236 1.00 0.00 C HETATM 296 O HYP A 17 -9.840 -2.780 5.425 1.00 0.00 O HETATM 297 CB HYP A 17 -8.905 -5.469 4.334 1.00 0.00 C HETATM 298 CG HYP A 17 -7.526 -6.082 4.587 1.00 0.00 C HETATM 299 CD HYP A 17 -6.743 -4.873 5.105 1.00 0.00 C HETATM 300 OD1 HYP A 17 -6.995 -6.495 3.338 1.00 0.00 O HETATM 0 HD23 HYP A 17 -5.668 -5.012 4.991 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -6.931 -4.696 6.164 1.00 0.00 H new HETATM 0 HG HYP A 17 -7.511 -6.939 5.261 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -6.109 -6.891 3.474 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -9.496 -5.426 5.249 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -9.475 -6.056 3.614 1.00 0.00 H new HETATM 0 HA HYP A 17 -8.618 -3.967 2.709 1.00 0.00 H new ATOM 308 N ASN A 18 -10.534 -2.697 3.274 1.00 0.00 N ATOM 309 CA ASN A 18 -11.716 -1.906 3.569 1.00 0.00 C ATOM 310 C ASN A 18 -12.941 -2.573 2.939 1.00 0.00 C ATOM 311 O ASN A 18 -12.860 -3.387 2.017 1.00 0.00 O ATOM 312 CB ASN A 18 -11.593 -0.496 2.987 1.00 0.00 C ATOM 313 CG ASN A 18 -10.965 0.462 4.000 1.00 0.00 C ATOM 314 OD1 ASN A 18 -11.398 0.578 5.135 1.00 0.00 O ATOM 315 ND2 ASN A 18 -9.924 1.142 3.529 1.00 0.00 N ATOM 0 H ASN A 18 -10.414 -2.934 2.289 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.818 -1.842 4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.986 -0.524 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.578 -0.131 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.437 1.808 4.128 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.613 0.997 2.569 1.00 0.00 H new HETATM 322 N HYP A 19 -14.151 -2.195 3.480 1.00 0.00 N HETATM 323 CA HYP A 19 -15.442 -2.791 3.082 1.00 0.00 C HETATM 324 C HYP A 19 -15.764 -2.774 1.569 1.00 0.00 C HETATM 325 O HYP A 19 -16.215 -1.758 1.041 1.00 0.00 O HETATM 326 CB HYP A 19 -16.489 -1.971 3.862 1.00 0.00 C HETATM 327 CG HYP A 19 -15.705 -1.376 5.034 1.00 0.00 C HETATM 328 CD HYP A 19 -14.360 -1.061 4.373 1.00 0.00 C HETATM 329 OD1 HYP A 19 -15.534 -2.393 6.006 1.00 0.00 O HETATM 0 HD23 HYP A 19 -13.560 -0.976 5.109 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -14.392 -0.119 3.826 1.00 0.00 H new HETATM 0 HG HYP A 19 -16.169 -0.518 5.521 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -15.032 -2.036 6.768 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -16.928 -1.191 3.240 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -17.309 -2.600 4.210 1.00 0.00 H new HETATM 0 HA HYP A 19 -15.427 -3.857 3.310 1.00 0.00 H new ATOM 337 N ARG A 20 -15.664 -3.950 0.969 1.00 0.00 N ATOM 338 CA ARG A 20 -16.097 -4.128 -0.407 1.00 0.00 C ATOM 339 C ARG A 20 -15.735 -2.898 -1.241 1.00 0.00 C ATOM 340 O ARG A 20 -16.427 -2.569 -2.203 1.00 0.00 O ATOM 341 CB ARG A 20 -17.608 -4.360 -0.483 1.00 0.00 C ATOM 342 CG ARG A 20 -18.060 -4.553 -1.933 1.00 0.00 C ATOM 343 CD ARG A 20 -18.920 -5.811 -2.076 1.00 0.00 C ATOM 344 NE ARG A 20 -20.203 -5.474 -2.733 1.00 0.00 N ATOM 345 CZ ARG A 20 -21.200 -4.808 -2.136 1.00 0.00 C ATOM 346 NH1 ARG A 20 -21.069 -4.403 -0.866 1.00 0.00 N ATOM 347 NH2 ARG A 20 -22.329 -4.548 -2.810 1.00 0.00 N ATOM 0 H ARG A 20 -15.289 -4.790 1.410 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.585 -5.004 -0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.875 -5.238 0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.133 -3.511 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.627 -3.681 -2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.188 -4.628 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.388 -6.561 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.108 -6.247 -1.095 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.336 -5.767 -3.701 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.210 -4.602 -0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.828 -3.896 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.428 -4.857 -3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.089 -4.041 -2.356 1.00 0.00 H new ATOM 361 N ASP A 21 -14.649 -2.250 -0.842 1.00 0.00 N ATOM 362 CA ASP A 21 -14.185 -1.063 -1.540 1.00 0.00 C ATOM 363 C ASP A 21 -13.918 -1.412 -3.005 1.00 0.00 C ATOM 364 O ASP A 21 -14.518 -2.339 -3.547 1.00 0.00 O ATOM 365 CB ASP A 21 -12.883 -0.540 -0.932 1.00 0.00 C ATOM 366 CG ASP A 21 -12.758 0.984 -0.886 1.00 0.00 C ATOM 367 OD1 ASP A 21 -13.732 1.646 -1.302 1.00 0.00 O ATOM 368 OD2 ASP A 21 -11.689 1.452 -0.436 1.00 0.00 O ATOM 0 H ASP A 21 -14.077 -2.525 -0.044 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.955 -0.297 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.792 -0.928 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.046 -0.941 -1.503 1.00 0.00 H new ATOM 373 N LYS A 22 -13.016 -0.649 -3.607 1.00 0.00 N ATOM 374 CA LYS A 22 -12.661 -0.864 -4.999 1.00 0.00 C ATOM 375 C LYS A 22 -11.945 -2.209 -5.135 1.00 0.00 C ATOM 376 O LYS A 22 -10.826 -2.273 -5.642 1.00 0.00 O ATOM 377 CB LYS A 22 -11.854 0.319 -5.536 1.00 0.00 C ATOM 378 CG LYS A 22 -12.726 1.228 -6.404 1.00 0.00 C ATOM 379 CD LYS A 22 -12.077 2.602 -6.584 1.00 0.00 C ATOM 380 CE LYS A 22 -12.535 3.572 -5.493 1.00 0.00 C ATOM 381 NZ LYS A 22 -11.402 4.402 -5.029 1.00 0.00 N ATOM 0 H LYS A 22 -12.520 0.119 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.557 -0.914 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.442 0.890 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.010 -0.047 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.882 0.765 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.708 1.343 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.992 2.502 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.334 3.004 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.329 4.212 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.953 3.015 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.730 5.055 -4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.657 3.788 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.022 4.948 -5.828 1.00 0.00 H new ATOM 395 N TRP A 23 -12.620 -3.252 -4.674 1.00 0.00 N ATOM 396 CA TRP A 23 -12.062 -4.592 -4.738 1.00 0.00 C ATOM 397 C TRP A 23 -12.384 -5.174 -6.116 1.00 0.00 C ATOM 398 O TRP A 23 -12.930 -4.481 -6.973 1.00 0.00 O ATOM 399 CB TRP A 23 -12.580 -5.458 -3.588 1.00 0.00 C ATOM 400 CG TRP A 23 -13.490 -6.605 -4.033 1.00 0.00 C ATOM 401 CD1 TRP A 23 -14.658 -6.526 -4.685 1.00 0.00 C ATOM 402 CD2 TRP A 23 -13.258 -8.015 -3.831 1.00 0.00 C ATOM 403 NE1 TRP A 23 -15.194 -7.776 -4.917 1.00 0.00 N ATOM 404 CE2 TRP A 23 -14.315 -8.710 -4.382 1.00 0.00 C ATOM 405 CE3 TRP A 23 -12.190 -8.681 -3.205 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -14.408 -10.107 -4.361 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -12.297 -10.076 -3.193 1.00 0.00 C ATOM 408 CH2 TRP A 23 -13.355 -10.792 -3.741 1.00 0.00 C ATOM 0 H TRP A 23 -13.548 -3.196 -4.255 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.979 -4.564 -4.616 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -11.729 -5.872 -3.047 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -13.126 -4.826 -2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.122 -5.600 -4.991 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -16.073 -7.977 -5.393 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -11.353 -8.157 -2.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -15.246 -10.628 -4.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -11.501 -10.636 -2.725 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -13.365 -11.871 -3.689 1.00 0.00 H new ATOM 419 N CYS A 24 -12.033 -6.440 -6.287 1.00 0.00 N ATOM 420 CA CYS A 24 -12.279 -7.121 -7.546 1.00 0.00 C ATOM 421 C CYS A 24 -11.262 -6.618 -8.572 1.00 0.00 C ATOM 422 O CYS A 24 -11.609 -6.372 -9.726 1.00 0.00 O ATOM 423 CB CYS A 24 -13.719 -6.924 -8.025 1.00 0.00 C ATOM 424 SG CYS A 24 -14.255 -8.078 -9.340 1.00 0.00 S ATOM 0 H CYS A 24 -11.580 -7.012 -5.574 1.00 0.00 H new ATOM 0 HA CYS A 24 -12.155 -8.195 -7.410 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.389 -7.031 -7.172 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -13.829 -5.903 -8.390 1.00 0.00 H new ATOM 429 N ARG A 25 -10.027 -6.478 -8.114 1.00 0.00 N ATOM 430 CA ARG A 25 -8.957 -6.007 -8.977 1.00 0.00 C ATOM 431 C ARG A 25 -8.549 -7.103 -9.963 1.00 0.00 C ATOM 432 O ARG A 25 -7.963 -6.820 -11.006 1.00 0.00 O ATOM 433 CB ARG A 25 -7.735 -5.585 -8.160 1.00 0.00 C ATOM 434 CG ARG A 25 -7.042 -4.377 -8.794 1.00 0.00 C ATOM 435 CD ARG A 25 -5.826 -3.947 -7.970 1.00 0.00 C ATOM 436 NE ARG A 25 -4.721 -3.546 -8.869 1.00 0.00 N ATOM 437 CZ ARG A 25 -3.528 -3.109 -8.443 1.00 0.00 C ATOM 438 NH1 ARG A 25 -3.279 -3.012 -7.130 1.00 0.00 N ATOM 439 NH2 ARG A 25 -2.585 -2.767 -9.331 1.00 0.00 N ATOM 0 H ARG A 25 -9.743 -6.683 -7.156 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.330 -5.141 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.040 -5.341 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.034 -6.417 -8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.729 -4.624 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.746 -3.548 -8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.094 -3.116 -7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.504 -4.766 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.877 -3.606 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.998 -3.271 -6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.371 -2.679 -6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.775 -2.839 -10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.677 -2.434 -9.008 1.00 0.00 H new ATOM 453 N LEU A 26 -8.874 -8.335 -9.596 1.00 0.00 N ATOM 454 CA LEU A 26 -8.549 -9.475 -10.436 1.00 0.00 C ATOM 455 C LEU A 26 -9.835 -10.224 -10.793 1.00 0.00 C ATOM 456 O LEU A 26 -10.933 -9.752 -10.503 1.00 0.00 O ATOM 457 CB LEU A 26 -7.495 -10.355 -9.759 1.00 0.00 C ATOM 458 CG LEU A 26 -6.092 -9.754 -9.649 1.00 0.00 C ATOM 459 CD1 LEU A 26 -5.582 -9.813 -8.207 1.00 0.00 C ATOM 460 CD2 LEU A 26 -5.127 -10.429 -10.625 1.00 0.00 C ATOM 0 H LEU A 26 -9.358 -8.568 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.102 -9.142 -11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.844 -10.599 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.425 -11.293 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.149 -8.702 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.583 -9.380 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.255 -9.250 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.544 -10.851 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.138 -9.983 -10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.069 -11.494 -10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.486 -10.292 -11.645 1.00 0.00 H new ATOM 472 N ASN A 27 -9.656 -11.377 -11.419 1.00 0.00 N ATOM 473 CA ASN A 27 -10.788 -12.196 -11.819 1.00 0.00 C ATOM 474 C ASN A 27 -11.543 -12.660 -10.572 1.00 0.00 C ATOM 475 O ASN A 27 -10.959 -13.284 -9.687 1.00 0.00 O ATOM 476 CB ASN A 27 -10.327 -13.437 -12.585 1.00 0.00 C ATOM 477 CG ASN A 27 -10.720 -13.349 -14.061 1.00 0.00 C ATOM 478 OD1 ASN A 27 -11.866 -13.125 -14.412 1.00 0.00 O ATOM 479 ND2 ASN A 27 -9.708 -13.539 -14.902 1.00 0.00 N ATOM 0 H ASN A 27 -8.744 -11.764 -11.660 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.429 -11.594 -12.463 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.245 -13.541 -12.499 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.769 -14.328 -12.140 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.868 -13.501 -15.909 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.772 -13.722 -14.540 1.00 0.00 H new ATOM 486 N LEU A 28 -12.828 -12.341 -10.543 1.00 0.00 N ATOM 487 CA LEU A 28 -13.667 -12.718 -9.419 1.00 0.00 C ATOM 488 C LEU A 28 -14.363 -14.044 -9.731 1.00 0.00 C ATOM 489 O LEU A 28 -13.961 -14.760 -10.647 1.00 0.00 O ATOM 490 CB LEU A 28 -14.633 -11.585 -9.068 1.00 0.00 C ATOM 491 CG LEU A 28 -14.846 -11.323 -7.575 1.00 0.00 C ATOM 492 CD1 LEU A 28 -13.554 -10.841 -6.913 1.00 0.00 C ATOM 493 CD2 LEU A 28 -16.004 -10.349 -7.349 1.00 0.00 C ATOM 0 H LEU A 28 -13.309 -11.825 -11.280 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.061 -12.877 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.268 -10.667 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.600 -11.806 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.120 -12.264 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.733 -10.662 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.781 -11.601 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.226 -9.916 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.134 -10.180 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.784 -9.402 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.920 -10.770 -7.764 1.00 0.00 H new ATOM 505 N GLY A 29 -15.395 -14.332 -8.952 1.00 0.00 N ATOM 506 CA GLY A 29 -16.151 -15.560 -9.133 1.00 0.00 C ATOM 507 C GLY A 29 -17.471 -15.510 -8.363 1.00 0.00 C ATOM 508 O GLY A 29 -18.478 -14.932 -8.777 1.00 0.00 O ATOM 0 H GLY A 29 -15.726 -13.736 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.350 -15.716 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.559 -16.409 -8.792 1.00 0.00 H new ATOM 512 N PRO A 30 -17.466 -16.152 -7.178 1.00 0.00 N ATOM 513 CA PRO A 30 -18.704 -16.338 -6.376 1.00 0.00 C ATOM 514 C PRO A 30 -19.504 -15.054 -5.968 1.00 0.00 C ATOM 515 O PRO A 30 -19.590 -14.890 -4.752 1.00 0.00 O ATOM 516 CB PRO A 30 -18.160 -17.169 -5.193 1.00 0.00 C ATOM 517 CG PRO A 30 -16.673 -16.809 -5.074 1.00 0.00 C ATOM 518 CD PRO A 30 -16.219 -16.576 -6.517 1.00 0.00 C ATOM 0 HA PRO A 30 -19.498 -16.817 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.694 -16.933 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -18.290 -18.236 -5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -16.528 -15.918 -4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.106 -17.613 -4.604 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.445 -15.811 -6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.810 -17.481 -6.965 1.00 0.00 H new ATOM 526 N ALA A 31 -20.031 -14.244 -6.873 1.00 0.00 N ATOM 527 CA ALA A 31 -20.776 -13.061 -6.475 1.00 0.00 C ATOM 528 C ALA A 31 -20.750 -12.041 -7.616 1.00 0.00 C ATOM 529 O ALA A 31 -21.606 -11.160 -7.685 1.00 0.00 O ATOM 530 CB ALA A 31 -20.191 -12.501 -5.178 1.00 0.00 C ATOM 0 H ALA A 31 -19.957 -14.383 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 31 -21.819 -13.311 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.750 -11.614 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.260 -13.254 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.146 -12.235 -5.335 1.00 0.00 H new ATOM 536 N TRP A 32 -19.758 -12.192 -8.481 1.00 0.00 N ATOM 537 CA TRP A 32 -19.609 -11.295 -9.614 1.00 0.00 C ATOM 538 C TRP A 32 -19.427 -12.147 -10.872 1.00 0.00 C ATOM 539 O TRP A 32 -19.961 -13.252 -10.960 1.00 0.00 O ATOM 540 CB TRP A 32 -18.459 -10.311 -9.387 1.00 0.00 C ATOM 541 CG TRP A 32 -18.758 -8.886 -9.857 1.00 0.00 C ATOM 542 CD1 TRP A 32 -18.419 -8.313 -11.020 1.00 0.00 C ATOM 543 CD2 TRP A 32 -19.474 -7.871 -9.123 1.00 0.00 C ATOM 544 NE1 TRP A 32 -18.862 -7.009 -11.089 1.00 0.00 N ATOM 545 CE2 TRP A 32 -19.524 -6.731 -9.899 1.00 0.00 C ATOM 546 CE3 TRP A 32 -20.060 -7.914 -7.845 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -20.150 -5.549 -9.485 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -20.681 -6.725 -7.446 1.00 0.00 C ATOM 549 CH2 TRP A 32 -20.741 -5.569 -8.216 1.00 0.00 C ATOM 0 H TRP A 32 -19.049 -12.923 -8.420 1.00 0.00 H new ATOM 0 HA TRP A 32 -20.500 -10.679 -9.737 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -18.218 -10.289 -8.324 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -17.574 -10.676 -9.908 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -17.868 -8.810 -11.805 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -18.728 -6.367 -11.870 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -20.033 -8.795 -7.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -20.176 -4.669 -10.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -21.146 -6.704 -6.472 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -21.241 -4.690 -7.837 1.00 0.00 H new ATOM 560 N GLY A 33 -18.670 -11.603 -11.813 1.00 0.00 N ATOM 561 CA GLY A 33 -18.410 -12.299 -13.061 1.00 0.00 C ATOM 562 C GLY A 33 -17.534 -11.454 -13.989 1.00 0.00 C ATOM 563 O GLY A 33 -16.424 -11.071 -13.621 1.00 0.00 O ATOM 0 H GLY A 33 -18.228 -10.687 -11.736 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.917 -13.249 -12.856 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.353 -12.530 -13.556 1.00 0.00 H new ATOM 567 N GLY A 34 -18.066 -11.188 -15.172 1.00 0.00 N ATOM 568 CA GLY A 34 -17.346 -10.396 -16.155 1.00 0.00 C ATOM 569 C GLY A 34 -15.847 -10.701 -16.114 1.00 0.00 C ATOM 570 O GLY A 34 -15.448 -11.844 -15.892 1.00 0.00 O ATOM 0 H GLY A 34 -18.987 -11.507 -15.473 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.736 -10.604 -17.151 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.510 -9.336 -15.964 1.00 0.00 H new ATOM 574 N ARG A 35 -15.057 -9.660 -16.331 1.00 0.00 N ATOM 575 CA ARG A 35 -13.611 -9.802 -16.323 1.00 0.00 C ATOM 576 C ARG A 35 -12.969 -8.645 -15.555 1.00 0.00 C ATOM 577 O ARG A 35 -12.446 -7.709 -16.158 1.00 0.00 O ATOM 578 CB ARG A 35 -13.052 -9.833 -17.746 1.00 0.00 C ATOM 579 CG ARG A 35 -11.783 -10.685 -17.819 1.00 0.00 C ATOM 580 CD ARG A 35 -10.613 -9.985 -17.123 1.00 0.00 C ATOM 581 NE ARG A 35 -9.382 -10.794 -17.268 1.00 0.00 N ATOM 582 CZ ARG A 35 -8.201 -10.468 -16.725 1.00 0.00 C ATOM 583 NH1 ARG A 35 -8.084 -9.348 -15.999 1.00 0.00 N ATOM 584 NH2 ARG A 35 -7.137 -11.262 -16.908 1.00 0.00 N ATOM 0 H ARG A 35 -15.391 -8.714 -16.514 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.373 -10.746 -15.832 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.803 -10.234 -18.427 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.832 -8.818 -18.076 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.963 -11.653 -17.351 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.529 -10.877 -18.861 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.461 -8.996 -17.555 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.841 -9.840 -16.067 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.436 -11.653 -17.815 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.894 -8.744 -15.860 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.185 -9.100 -15.586 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.226 -12.115 -17.461 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.238 -11.014 -16.495 1.00 0.00 H new ATOM 598 N CYS A 36 -13.029 -8.747 -14.234 1.00 0.00 N ATOM 599 CA CYS A 36 -12.459 -7.721 -13.378 1.00 0.00 C ATOM 600 C CYS A 36 -10.968 -7.604 -13.696 1.00 0.00 C ATOM 601 O CYS A 36 -10.302 -8.607 -13.950 1.00 0.00 O ATOM 602 CB CYS A 36 -12.707 -8.019 -11.898 1.00 0.00 C ATOM 603 SG CYS A 36 -13.971 -6.963 -11.102 1.00 0.00 S ATOM 0 H CYS A 36 -13.464 -9.524 -13.737 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.946 -6.766 -13.575 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.010 -9.061 -11.798 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.767 -7.907 -11.357 1.00 0.00 H new TER 608 CYS A 36