USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=8 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+ 152:sc= 0.0118 (180deg=-0.00515) USER MOD Single : A 6 ASN : amide:sc= -1.51 K(o=-1.5,f=-5.7!) 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= -0.848! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -55:sc= 1.22 USER MOD Single : A 17 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.3!) 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=-0.00217 X(o=-0.0022,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 17.724 -18.210 7.219 1.00 0.00 N ATOM 2 CA TRP A 1 18.997 -17.843 7.814 1.00 0.00 C ATOM 3 C TRP A 1 18.861 -16.433 8.390 1.00 0.00 C ATOM 4 O TRP A 1 19.578 -15.520 7.983 1.00 0.00 O ATOM 5 CB TRP A 1 20.134 -17.967 6.797 1.00 0.00 C ATOM 6 CG TRP A 1 20.732 -19.371 6.699 1.00 0.00 C ATOM 7 CD1 TRP A 1 21.720 -19.900 7.435 1.00 0.00 C ATOM 8 CD2 TRP A 1 20.337 -20.412 5.780 1.00 0.00 C ATOM 9 NE1 TRP A 1 21.990 -21.200 7.058 1.00 0.00 N ATOM 10 CE2 TRP A 1 21.123 -21.521 6.020 1.00 0.00 C ATOM 11 CE3 TRP A 1 19.350 -20.416 4.780 1.00 0.00 C ATOM 12 CZ2 TRP A 1 21.002 -22.716 5.300 1.00 0.00 C ATOM 13 CZ3 TRP A 1 19.242 -21.617 4.070 1.00 0.00 C ATOM 14 CH2 TRP A 1 20.024 -22.743 4.299 1.00 0.00 C ATOM 0 H1 TRP A 1 17.884 -18.888 6.447 1.00 0.00 H new ATOM 0 H2 TRP A 1 17.116 -18.645 7.942 1.00 0.00 H new ATOM 0 H3 TRP A 1 17.259 -17.360 6.841 1.00 0.00 H new ATOM 0 HA TRP A 1 19.255 -18.526 8.623 1.00 0.00 H new ATOM 0 HB2 TRP A 1 19.763 -17.672 5.815 1.00 0.00 H new ATOM 0 HB3 TRP A 1 20.924 -17.265 7.063 1.00 0.00 H new ATOM 0 HD1 TRP A 1 22.239 -19.375 8.223 1.00 0.00 H new ATOM 0 HE1 TRP A 1 22.696 -21.813 7.466 1.00 0.00 H new ATOM 0 HE3 TRP A 1 18.724 -19.560 4.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 21.629 -23.571 5.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 18.498 -21.673 3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 1 19.878 -23.635 3.707 1.00 0.00 H new ATOM 25 N GLU A 2 17.934 -16.298 9.328 1.00 0.00 N ATOM 26 CA GLU A 2 17.695 -15.013 9.963 1.00 0.00 C ATOM 27 C GLU A 2 16.584 -15.137 11.008 1.00 0.00 C ATOM 28 O GLU A 2 15.925 -16.172 11.099 1.00 0.00 O ATOM 29 CB GLU A 2 17.354 -13.943 8.926 1.00 0.00 C ATOM 30 CG GLU A 2 16.073 -14.300 8.169 1.00 0.00 C ATOM 31 CD GLU A 2 15.541 -13.094 7.391 1.00 0.00 C ATOM 32 OE1 GLU A 2 15.496 -12.003 7.997 1.00 0.00 O ATOM 33 OE2 GLU A 2 15.193 -13.292 6.207 1.00 0.00 O ATOM 0 H GLU A 2 17.340 -17.057 9.663 1.00 0.00 H new ATOM 0 HA GLU A 2 18.610 -14.703 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.232 -12.979 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 2 18.179 -13.838 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.270 -15.123 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.316 -14.647 8.872 1.00 0.00 H new ATOM 40 N TRP A 3 16.410 -14.067 11.769 1.00 0.00 N ATOM 41 CA TRP A 3 15.390 -14.043 12.804 1.00 0.00 C ATOM 42 C TRP A 3 14.122 -14.681 12.233 1.00 0.00 C ATOM 43 O TRP A 3 13.325 -14.081 11.511 1.00 0.00 O ATOM 44 CB TRP A 3 15.163 -12.620 13.318 1.00 0.00 C ATOM 45 CG TRP A 3 16.340 -12.050 14.111 1.00 0.00 C ATOM 46 CD1 TRP A 3 17.018 -10.916 13.880 1.00 0.00 C ATOM 47 CD2 TRP A 3 16.955 -12.634 15.277 1.00 0.00 C ATOM 48 NE1 TRP A 3 18.021 -10.729 14.810 1.00 0.00 N ATOM 49 CE2 TRP A 3 17.981 -11.808 15.686 1.00 0.00 C ATOM 50 CE3 TRP A 3 16.656 -13.824 15.964 1.00 0.00 C ATOM 51 CZ2 TRP A 3 18.790 -12.080 16.797 1.00 0.00 C ATOM 52 CZ3 TRP A 3 17.472 -14.082 17.072 1.00 0.00 C ATOM 53 CH2 TRP A 3 18.509 -13.259 17.497 1.00 0.00 C ATOM 0 H TRP A 3 16.958 -13.210 11.690 1.00 0.00 H new ATOM 0 HA TRP A 3 15.709 -14.619 13.673 1.00 0.00 H new ATOM 0 HB2 TRP A 3 14.959 -11.966 12.470 1.00 0.00 H new ATOM 0 HB3 TRP A 3 14.274 -12.610 13.949 1.00 0.00 H new ATOM 0 HD1 TRP A 3 16.806 -10.235 13.069 1.00 0.00 H new ATOM 0 HE1 TRP A 3 18.671 -9.944 14.848 1.00 0.00 H new ATOM 0 HE3 TRP A 3 15.859 -14.487 15.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 19.587 -11.416 17.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 17.283 -14.983 17.636 1.00 0.00 H new ATOM 0 HH2 TRP A 3 19.095 -13.528 18.363 1.00 0.00 H new ATOM 64 N PRO A 4 13.927 -15.970 12.578 1.00 0.00 N ATOM 65 CA PRO A 4 12.836 -16.787 11.986 1.00 0.00 C ATOM 66 C PRO A 4 11.361 -16.329 12.249 1.00 0.00 C ATOM 67 O PRO A 4 10.850 -16.849 13.241 1.00 0.00 O ATOM 68 CB PRO A 4 13.191 -18.186 12.540 1.00 0.00 C ATOM 69 CG PRO A 4 13.960 -17.940 13.845 1.00 0.00 C ATOM 70 CD PRO A 4 14.755 -16.660 13.584 1.00 0.00 C ATOM 0 HA PRO A 4 12.810 -16.713 10.899 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.291 -18.774 12.722 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.798 -18.745 11.828 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.281 -17.821 14.689 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.619 -18.776 14.081 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.874 -16.065 14.489 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.756 -16.873 13.209 1.00 0.00 H new ATOM 78 N TRP A 5 10.747 -15.465 11.455 1.00 0.00 N ATOM 79 CA TRP A 5 9.377 -15.057 11.709 1.00 0.00 C ATOM 80 C TRP A 5 8.603 -15.148 10.393 1.00 0.00 C ATOM 81 O TRP A 5 8.414 -16.238 9.855 1.00 0.00 O ATOM 82 CB TRP A 5 9.328 -13.661 12.335 1.00 0.00 C ATOM 83 CG TRP A 5 9.984 -13.574 13.714 1.00 0.00 C ATOM 84 CD1 TRP A 5 11.292 -13.550 14.006 1.00 0.00 C ATOM 85 CD2 TRP A 5 9.306 -13.499 14.986 1.00 0.00 C ATOM 86 NE1 TRP A 5 11.506 -13.467 15.367 1.00 0.00 N ATOM 87 CE2 TRP A 5 10.260 -13.434 15.981 1.00 0.00 C ATOM 88 CE3 TRP A 5 7.933 -13.486 15.285 1.00 0.00 C ATOM 89 CZ2 TRP A 5 9.942 -13.352 17.343 1.00 0.00 C ATOM 90 CZ3 TRP A 5 7.632 -13.404 16.650 1.00 0.00 C ATOM 91 CH2 TRP A 5 8.580 -13.337 17.665 1.00 0.00 C ATOM 0 H TRP A 5 11.174 -15.036 10.634 1.00 0.00 H new ATOM 0 HA TRP A 5 8.907 -15.720 12.435 1.00 0.00 H new ATOM 0 HB2 TRP A 5 9.820 -12.956 11.665 1.00 0.00 H new ATOM 0 HB3 TRP A 5 8.287 -13.348 12.419 1.00 0.00 H new ATOM 0 HD1 TRP A 5 12.080 -13.591 13.268 1.00 0.00 H new ATOM 0 HE1 TRP A 5 12.412 -13.436 15.835 1.00 0.00 H new ATOM 0 HE3 TRP A 5 7.170 -13.535 14.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 10.707 -13.303 18.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 6.590 -13.392 16.935 1.00 0.00 H new ATOM 0 HH2 TRP A 5 8.267 -13.274 18.697 1.00 0.00 H new ATOM 102 N ASN A 6 8.177 -13.990 9.911 1.00 0.00 N ATOM 103 CA ASN A 6 7.428 -13.926 8.668 1.00 0.00 C ATOM 104 C ASN A 6 7.099 -12.466 8.349 1.00 0.00 C ATOM 105 O ASN A 6 5.933 -12.076 8.343 1.00 0.00 O ATOM 106 CB ASN A 6 6.110 -14.694 8.779 1.00 0.00 C ATOM 107 CG ASN A 6 5.295 -14.213 9.981 1.00 0.00 C ATOM 108 OD1 ASN A 6 5.824 -13.749 10.978 1.00 0.00 O ATOM 109 ND2 ASN A 6 3.980 -14.348 9.832 1.00 0.00 N ATOM 0 H ASN A 6 8.337 -13.088 10.359 1.00 0.00 H new ATOM 0 HA ASN A 6 8.040 -14.371 7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.530 -14.562 7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.313 -15.760 8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.349 -14.055 10.578 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.602 -14.744 8.971 1.00 0.00 H new ATOM 116 N ARG A 7 8.149 -11.699 8.093 1.00 0.00 N ATOM 117 CA ARG A 7 7.987 -10.291 7.775 1.00 0.00 C ATOM 118 C ARG A 7 9.174 -9.794 6.947 1.00 0.00 C ATOM 119 O ARG A 7 10.218 -9.448 7.497 1.00 0.00 O ATOM 120 CB ARG A 7 7.873 -9.449 9.046 1.00 0.00 C ATOM 121 CG ARG A 7 6.411 -9.123 9.358 1.00 0.00 C ATOM 122 CD ARG A 7 6.304 -7.892 10.262 1.00 0.00 C ATOM 123 NE ARG A 7 4.905 -7.411 10.297 1.00 0.00 N ATOM 124 CZ ARG A 7 3.903 -8.058 10.906 1.00 0.00 C ATOM 125 NH1 ARG A 7 4.138 -9.218 11.534 1.00 0.00 N ATOM 126 NH2 ARG A 7 2.664 -7.546 10.887 1.00 0.00 N ATOM 0 H ARG A 7 9.115 -12.026 8.099 1.00 0.00 H new ATOM 0 HA ARG A 7 7.068 -10.185 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.316 -9.987 9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.438 -8.525 8.926 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.868 -8.945 8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.940 -9.977 9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.637 -8.140 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.960 -7.103 9.895 1.00 0.00 H new ATOM 0 HE ARG A 7 4.690 -6.531 9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.080 -9.608 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.375 -9.711 11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.484 -6.663 10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.901 -8.039 11.351 1.00 0.00 H new ATOM 140 N LYS A 8 8.974 -9.775 5.638 1.00 0.00 N ATOM 141 CA LYS A 8 10.015 -9.327 4.728 1.00 0.00 C ATOM 142 C LYS A 8 9.399 -8.419 3.661 1.00 0.00 C ATOM 143 O LYS A 8 9.318 -8.741 2.474 1.00 0.00 O ATOM 144 CB LYS A 8 10.776 -10.523 4.152 1.00 0.00 C ATOM 145 CG LYS A 8 12.287 -10.338 4.308 1.00 0.00 C ATOM 146 CD LYS A 8 13.022 -10.726 3.023 1.00 0.00 C ATOM 147 CE LYS A 8 14.495 -11.029 3.305 1.00 0.00 C ATOM 148 NZ LYS A 8 15.199 -11.389 2.053 1.00 0.00 N ATOM 0 H LYS A 8 8.106 -10.063 5.185 1.00 0.00 H new ATOM 0 HA LYS A 8 10.757 -8.734 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.463 -11.436 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.528 -10.643 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.506 -9.300 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.648 -10.948 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.546 -11.599 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.946 -9.916 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.971 -10.160 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.574 -11.847 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.197 -11.592 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.755 -12.231 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.140 -10.597 1.381 1.00 0.00 H new HETATM 162 N HYP A 9 8.936 -7.207 4.126 1.00 0.00 N HETATM 163 CA HYP A 9 8.222 -6.230 3.280 1.00 0.00 C HETATM 164 C HYP A 9 9.005 -5.675 2.067 1.00 0.00 C HETATM 165 O HYP A 9 10.150 -5.249 2.209 1.00 0.00 O HETATM 166 CB HYP A 9 7.859 -5.088 4.250 1.00 0.00 C HETATM 167 CG HYP A 9 7.891 -5.745 5.633 1.00 0.00 C HETATM 168 CD HYP A 9 9.074 -6.705 5.488 1.00 0.00 C HETATM 169 OD1 HYP A 9 6.693 -6.485 5.793 1.00 0.00 O HETATM 0 HD23 HYP A 9 9.029 -7.511 6.220 1.00 0.00 H new HETATM 0 HD22 HYP A 9 10.026 -6.195 5.634 1.00 0.00 H new HETATM 0 HG HYP A 9 7.980 -5.059 6.475 1.00 0.00 H new HETATM 0 HD1 HYP A 9 6.691 -6.917 6.672 1.00 0.00 H new HETATM 0 HB3 HYP A 9 8.572 -4.267 4.183 1.00 0.00 H new HETATM 0 HB2 HYP A 9 6.875 -4.675 4.028 1.00 0.00 H new HETATM 0 HA HYP A 9 7.372 -6.723 2.809 1.00 0.00 H new ATOM 177 N THR A 10 8.295 -5.564 0.953 1.00 0.00 N ATOM 178 CA THR A 10 8.842 -4.903 -0.220 1.00 0.00 C ATOM 179 C THR A 10 8.065 -3.620 -0.521 1.00 0.00 C ATOM 180 O THR A 10 7.049 -3.342 0.115 1.00 0.00 O ATOM 181 CB THR A 10 8.830 -5.906 -1.375 1.00 0.00 C ATOM 182 OG1 THR A 10 8.502 -5.117 -2.515 1.00 0.00 O ATOM 183 CG2 THR A 10 7.678 -6.907 -1.269 1.00 0.00 C ATOM 0 H THR A 10 7.346 -5.921 0.838 1.00 0.00 H new ATOM 0 HA THR A 10 9.872 -4.589 -0.053 1.00 0.00 H new ATOM 0 HB THR A 10 9.777 -6.445 -1.398 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.474 -5.688 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.716 -7.596 -2.113 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.768 -7.468 -0.339 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.729 -6.372 -1.280 1.00 0.00 H new ATOM 191 N LYS A 11 8.571 -2.872 -1.489 1.00 0.00 N ATOM 192 CA LYS A 11 7.938 -1.625 -1.882 1.00 0.00 C ATOM 193 C LYS A 11 6.576 -1.926 -2.510 1.00 0.00 C ATOM 194 O LYS A 11 6.497 -2.607 -3.532 1.00 0.00 O ATOM 195 CB LYS A 11 8.867 -0.814 -2.787 1.00 0.00 C ATOM 196 CG LYS A 11 9.502 -1.701 -3.859 1.00 0.00 C ATOM 197 CD LYS A 11 9.539 -0.987 -5.212 1.00 0.00 C ATOM 198 CE LYS A 11 9.947 -1.950 -6.328 1.00 0.00 C ATOM 199 NZ LYS A 11 11.391 -1.821 -6.621 1.00 0.00 N ATOM 0 H LYS A 11 9.414 -3.106 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 11 7.756 -0.998 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.306 -0.009 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.648 -0.347 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.514 -1.972 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.937 -2.629 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.558 -0.565 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.242 -0.155 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.720 -2.975 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.367 -1.741 -7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.651 -2.482 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.598 -0.847 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.940 -2.043 -5.766 1.00 0.00 H new ATOM 213 N PHE A 12 5.538 -1.405 -1.874 1.00 0.00 N ATOM 214 CA PHE A 12 4.183 -1.610 -2.358 1.00 0.00 C ATOM 215 C PHE A 12 3.158 -1.306 -1.263 1.00 0.00 C ATOM 216 O PHE A 12 2.516 -0.253 -1.221 1.00 0.00 O ATOM 217 CB PHE A 12 4.068 -3.083 -2.754 1.00 0.00 C ATOM 218 CG PHE A 12 3.955 -3.314 -4.263 1.00 0.00 C ATOM 219 CD1 PHE A 12 3.221 -2.464 -5.028 1.00 0.00 C ATOM 220 CD2 PHE A 12 4.590 -4.371 -4.837 1.00 0.00 C ATOM 221 CE1 PHE A 12 3.117 -2.680 -6.428 1.00 0.00 C ATOM 222 CE2 PHE A 12 4.487 -4.586 -6.237 1.00 0.00 C ATOM 223 CZ PHE A 12 3.752 -3.736 -7.003 1.00 0.00 C ATOM 0 H PHE A 12 5.607 -0.841 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 12 3.983 -0.946 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.940 -3.619 -2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.194 -3.513 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.717 -1.625 -4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.172 -5.047 -4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.533 -2.005 -7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.992 -5.424 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.673 -3.900 -8.068 1.00 0.00 H new HETATM 233 N HYP A 13 3.001 -2.299 -0.321 1.00 0.00 N HETATM 234 CA HYP A 13 1.997 -2.244 0.759 1.00 0.00 C HETATM 235 C HYP A 13 1.241 -0.903 0.923 1.00 0.00 C HETATM 236 O HYP A 13 1.857 0.129 1.186 1.00 0.00 O HETATM 237 CB HYP A 13 2.800 -2.566 2.035 1.00 0.00 C HETATM 238 CG HYP A 13 4.035 -3.312 1.525 1.00 0.00 C HETATM 239 CD HYP A 13 4.329 -2.561 0.223 1.00 0.00 C HETATM 240 OD1 HYP A 13 3.650 -4.645 1.231 1.00 0.00 O HETATM 0 HD23 HYP A 13 4.932 -3.160 -0.459 1.00 0.00 H new HETATM 0 HD22 HYP A 13 4.878 -1.637 0.407 1.00 0.00 H new HETATM 0 HG HYP A 13 4.879 -3.348 2.214 1.00 0.00 H new HETATM 0 HD1 HYP A 13 4.426 -5.144 0.900 1.00 0.00 H new HETATM 0 HB3 HYP A 13 3.077 -1.658 2.571 1.00 0.00 H new HETATM 0 HB2 HYP A 13 2.221 -3.180 2.725 1.00 0.00 H new HETATM 0 HA HYP A 13 1.193 -2.944 0.531 1.00 0.00 H new ATOM 248 N ILE A 14 -0.079 -1.008 0.913 1.00 0.00 N ATOM 249 CA ILE A 14 -0.922 0.134 1.225 1.00 0.00 C ATOM 250 C ILE A 14 -1.737 -0.167 2.484 1.00 0.00 C ATOM 251 O ILE A 14 -2.321 -1.238 2.662 1.00 0.00 O ATOM 252 CB ILE A 14 -1.778 0.514 0.014 1.00 0.00 C ATOM 253 CG1 ILE A 14 -0.906 1.018 -1.138 1.00 0.00 C ATOM 254 CG2 ILE A 14 -2.856 1.528 0.403 1.00 0.00 C ATOM 255 CD1 ILE A 14 0.048 2.116 -0.663 1.00 0.00 C ATOM 0 H ILE A 14 -0.586 -1.866 0.694 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.311 1.010 1.443 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.289 -0.382 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.334 0.189 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.540 1.402 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.451 1.782 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.503 1.096 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.384 2.429 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.656 2.457 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.528 2.953 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.696 1.721 0.119 1.00 0.00 H new HETATM 267 N HYP A 15 -1.773 0.851 3.412 1.00 0.00 N HETATM 268 CA HYP A 15 -2.421 0.727 4.733 1.00 0.00 C HETATM 269 C HYP A 15 -3.823 0.070 4.746 1.00 0.00 C HETATM 270 O HYP A 15 -4.675 0.409 3.927 1.00 0.00 O HETATM 271 CB HYP A 15 -2.504 2.177 5.247 1.00 0.00 C HETATM 272 CG HYP A 15 -1.420 2.919 4.461 1.00 0.00 C HETATM 273 CD HYP A 15 -1.529 2.252 3.087 1.00 0.00 C HETATM 274 OD1 HYP A 15 -0.168 2.608 5.045 1.00 0.00 O HETATM 0 HD23 HYP A 15 -0.615 2.377 2.506 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -2.342 2.676 2.498 1.00 0.00 H new HETATM 0 HG HYP A 15 -1.520 4.004 4.434 1.00 0.00 H new HETATM 0 HD1 HYP A 15 0.545 3.071 4.557 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -3.490 2.607 5.068 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -2.323 2.230 6.321 1.00 0.00 H new HETATM 0 HA HYP A 15 -1.835 0.051 5.355 1.00 0.00 H new ATOM 282 N SER A 16 -4.048 -0.730 5.777 1.00 0.00 N ATOM 283 CA SER A 16 -5.370 -1.284 6.019 1.00 0.00 C ATOM 284 C SER A 16 -5.864 -2.023 4.773 1.00 0.00 C ATOM 285 O SER A 16 -5.312 -1.924 3.674 1.00 0.00 O ATOM 286 CB SER A 16 -6.362 -0.189 6.415 1.00 0.00 C ATOM 287 OG SER A 16 -6.934 0.451 5.278 1.00 0.00 O ATOM 0 H SER A 16 -3.338 -1.008 6.454 1.00 0.00 H new ATOM 0 HA SER A 16 -5.299 -1.989 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.155 -0.622 7.024 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.855 0.553 7.032 1.00 0.00 H new ATOM 0 HG SER A 16 -6.219 0.789 4.699 1.00 0.00 H new HETATM 293 N HYP A 17 -6.978 -2.810 4.966 1.00 0.00 N HETATM 294 CA HYP A 17 -7.554 -3.677 3.920 1.00 0.00 C HETATM 295 C HYP A 17 -8.054 -2.963 2.641 1.00 0.00 C HETATM 296 O HYP A 17 -7.811 -1.772 2.459 1.00 0.00 O HETATM 297 CB HYP A 17 -8.721 -4.394 4.626 1.00 0.00 C HETATM 298 CG HYP A 17 -8.371 -4.309 6.114 1.00 0.00 C HETATM 299 CD HYP A 17 -7.746 -2.913 6.202 1.00 0.00 C HETATM 300 OD1 HYP A 17 -7.385 -5.291 6.386 1.00 0.00 O HETATM 0 HD23 HYP A 17 -7.109 -2.812 7.081 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -8.507 -2.135 6.269 1.00 0.00 H new HETATM 0 HG HYP A 17 -9.203 -4.464 6.801 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -7.142 -5.256 7.335 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -9.674 -3.909 4.413 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -8.810 -5.429 4.297 1.00 0.00 H new HETATM 0 HA HYP A 17 -6.775 -4.336 3.536 1.00 0.00 H new ATOM 308 N ASN A 18 -8.866 -3.688 1.884 1.00 0.00 N ATOM 309 CA ASN A 18 -9.551 -3.100 0.746 1.00 0.00 C ATOM 310 C ASN A 18 -10.185 -4.212 -0.093 1.00 0.00 C ATOM 311 O ASN A 18 -11.370 -4.201 -0.432 1.00 0.00 O ATOM 312 CB ASN A 18 -8.575 -2.332 -0.147 1.00 0.00 C ATOM 313 CG ASN A 18 -9.077 -0.911 -0.414 1.00 0.00 C ATOM 314 OD1 ASN A 18 -10.218 -0.570 -0.154 1.00 0.00 O ATOM 315 ND2 ASN A 18 -8.163 -0.106 -0.948 1.00 0.00 N ATOM 0 H ASN A 18 -9.064 -4.677 2.037 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.309 -2.414 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.595 -2.292 0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.449 -2.860 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.400 0.862 -1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.225 -0.457 -1.141 1.00 0.00 H new HETATM 322 N HYP A 19 -9.330 -5.235 -0.444 1.00 0.00 N HETATM 323 CA HYP A 19 -9.717 -6.351 -1.329 1.00 0.00 C HETATM 324 C HYP A 19 -10.893 -7.232 -0.843 1.00 0.00 C HETATM 325 O HYP A 19 -10.713 -8.085 0.026 1.00 0.00 O HETATM 326 CB HYP A 19 -8.432 -7.194 -1.452 1.00 0.00 C HETATM 327 CG HYP A 19 -7.306 -6.217 -1.106 1.00 0.00 C HETATM 328 CD HYP A 19 -7.952 -5.388 0.008 1.00 0.00 C HETATM 329 OD1 HYP A 19 -7.076 -5.396 -2.239 1.00 0.00 O HETATM 0 HD23 HYP A 19 -7.459 -4.423 0.129 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -7.898 -5.897 0.971 1.00 0.00 H new HETATM 0 HG HYP A 19 -6.359 -6.676 -0.823 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -6.358 -4.759 -2.041 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -8.446 -8.043 -0.769 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -8.315 -7.596 -2.458 1.00 0.00 H new HETATM 0 HA HYP A 19 -10.095 -5.946 -2.268 1.00 0.00 H new ATOM 337 N ARG A 20 -12.013 -7.092 -1.536 1.00 0.00 N ATOM 338 CA ARG A 20 -13.149 -7.970 -1.310 1.00 0.00 C ATOM 339 C ARG A 20 -13.094 -8.553 0.103 1.00 0.00 C ATOM 340 O ARG A 20 -13.220 -9.763 0.285 1.00 0.00 O ATOM 341 CB ARG A 20 -13.171 -9.114 -2.325 1.00 0.00 C ATOM 342 CG ARG A 20 -11.867 -9.911 -2.282 1.00 0.00 C ATOM 343 CD ARG A 20 -11.139 -9.846 -3.627 1.00 0.00 C ATOM 344 NE ARG A 20 -10.620 -8.479 -3.855 1.00 0.00 N ATOM 345 CZ ARG A 20 -10.342 -7.974 -5.064 1.00 0.00 C ATOM 346 NH1 ARG A 20 -10.531 -8.719 -6.162 1.00 0.00 N ATOM 347 NH2 ARG A 20 -9.875 -6.722 -5.176 1.00 0.00 N ATOM 0 H ARG A 20 -12.159 -6.383 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.056 -7.377 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.012 -9.775 -2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.323 -8.713 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.222 -9.518 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.080 -10.950 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.318 -10.563 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.819 -10.125 -4.432 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.464 -7.884 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.887 -9.671 -6.077 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.319 -8.334 -7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.732 -6.155 -4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.663 -6.337 -6.097 1.00 0.00 H new ATOM 361 N ASP A 21 -12.909 -7.665 1.069 1.00 0.00 N ATOM 362 CA ASP A 21 -12.837 -8.076 2.461 1.00 0.00 C ATOM 363 C ASP A 21 -14.251 -8.154 3.039 1.00 0.00 C ATOM 364 O ASP A 21 -14.783 -7.156 3.525 1.00 0.00 O ATOM 365 CB ASP A 21 -12.041 -7.069 3.292 1.00 0.00 C ATOM 366 CG ASP A 21 -10.813 -6.481 2.595 1.00 0.00 C ATOM 367 OD1 ASP A 21 -9.814 -7.224 2.483 1.00 0.00 O ATOM 368 OD2 ASP A 21 -10.900 -5.302 2.190 1.00 0.00 O ATOM 0 H ASP A 21 -12.807 -6.662 0.915 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.343 -9.047 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.704 -6.252 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.719 -7.555 4.213 1.00 0.00 H new ATOM 373 N LYS A 22 -14.821 -9.348 2.967 1.00 0.00 N ATOM 374 CA LYS A 22 -16.164 -9.568 3.477 1.00 0.00 C ATOM 375 C LYS A 22 -17.119 -8.557 2.841 1.00 0.00 C ATOM 376 O LYS A 22 -18.200 -8.299 3.370 1.00 0.00 O ATOM 377 CB LYS A 22 -16.167 -9.539 5.007 1.00 0.00 C ATOM 378 CG LYS A 22 -15.686 -10.872 5.581 1.00 0.00 C ATOM 379 CD LYS A 22 -14.181 -10.838 5.859 1.00 0.00 C ATOM 380 CE LYS A 22 -13.401 -11.530 4.739 1.00 0.00 C ATOM 381 NZ LYS A 22 -12.339 -12.392 5.302 1.00 0.00 N ATOM 0 H LYS A 22 -14.377 -10.173 2.563 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.519 -10.560 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.523 -8.733 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.173 -9.325 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.225 -11.091 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.912 -11.676 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.848 -9.804 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.972 -11.329 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.080 -12.129 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.959 -10.782 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.820 -12.854 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.682 -11.812 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.767 -13.117 5.912 1.00 0.00 H new ATOM 395 N TRP A 23 -16.686 -8.010 1.714 1.00 0.00 N ATOM 396 CA TRP A 23 -17.490 -7.032 0.999 1.00 0.00 C ATOM 397 C TRP A 23 -18.854 -7.662 0.709 1.00 0.00 C ATOM 398 O TRP A 23 -19.166 -8.738 1.220 1.00 0.00 O ATOM 399 CB TRP A 23 -16.773 -6.552 -0.263 1.00 0.00 C ATOM 400 CG TRP A 23 -17.484 -6.929 -1.565 1.00 0.00 C ATOM 401 CD1 TRP A 23 -17.720 -8.155 -2.050 1.00 0.00 C ATOM 402 CD2 TRP A 23 -18.046 -6.018 -2.533 1.00 0.00 C ATOM 403 NE1 TRP A 23 -18.390 -8.102 -3.256 1.00 0.00 N ATOM 404 CE2 TRP A 23 -18.595 -6.761 -3.559 1.00 0.00 C ATOM 405 CE3 TRP A 23 -18.090 -4.613 -2.542 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -19.226 -6.186 -4.668 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -18.724 -4.054 -3.657 1.00 0.00 C ATOM 408 CH2 TRP A 23 -19.281 -4.788 -4.699 1.00 0.00 C ATOM 0 H TRP A 23 -15.789 -8.225 1.278 1.00 0.00 H new ATOM 0 HA TRP A 23 -17.641 -6.139 1.606 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.669 -5.468 -0.219 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.766 -6.969 -0.277 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -17.423 -9.070 -1.559 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -18.681 -8.900 -3.821 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -17.668 -4.012 -1.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.648 -6.789 -5.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -18.785 -2.977 -3.712 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -19.753 -4.282 -5.528 1.00 0.00 H new ATOM 419 N CYS A 24 -19.630 -6.966 -0.108 1.00 0.00 N ATOM 420 CA CYS A 24 -20.953 -7.443 -0.472 1.00 0.00 C ATOM 421 C CYS A 24 -21.649 -7.943 0.796 1.00 0.00 C ATOM 422 O CYS A 24 -21.600 -9.132 1.108 1.00 0.00 O ATOM 423 CB CYS A 24 -20.886 -8.526 -1.550 1.00 0.00 C ATOM 424 SG CYS A 24 -19.840 -9.967 -1.129 1.00 0.00 S ATOM 0 H CYS A 24 -19.368 -6.075 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 24 -21.531 -6.626 -0.905 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -21.897 -8.877 -1.755 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -20.511 -8.079 -2.471 1.00 0.00 H new ATOM 429 N ARG A 25 -22.280 -7.009 1.493 1.00 0.00 N ATOM 430 CA ARG A 25 -22.984 -7.339 2.720 1.00 0.00 C ATOM 431 C ARG A 25 -24.261 -8.121 2.405 1.00 0.00 C ATOM 432 O ARG A 25 -24.799 -8.813 3.269 1.00 0.00 O ATOM 433 CB ARG A 25 -23.349 -6.076 3.503 1.00 0.00 C ATOM 434 CG ARG A 25 -23.242 -6.316 5.010 1.00 0.00 C ATOM 435 CD ARG A 25 -21.786 -6.243 5.476 1.00 0.00 C ATOM 436 NE ARG A 25 -21.666 -6.788 6.846 1.00 0.00 N ATOM 437 CZ ARG A 25 -20.630 -6.547 7.662 1.00 0.00 C ATOM 438 NH1 ARG A 25 -19.620 -5.769 7.250 1.00 0.00 N ATOM 439 NH2 ARG A 25 -20.605 -7.084 8.890 1.00 0.00 N ATOM 0 H ARG A 25 -22.318 -6.024 1.231 1.00 0.00 H new ATOM 0 HA ARG A 25 -22.319 -7.951 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -22.687 -5.260 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -24.364 -5.768 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -23.836 -5.573 5.543 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -23.658 -7.293 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -21.149 -6.806 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -21.440 -5.210 5.455 1.00 0.00 H new ATOM 0 HE ARG A 25 -22.418 -7.384 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -19.639 -5.360 6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -18.832 -5.585 7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -21.374 -7.676 9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -19.817 -6.901 9.511 1.00 0.00 H new ATOM 453 N LEU A 26 -24.708 -7.988 1.165 1.00 0.00 N ATOM 454 CA LEU A 26 -25.911 -8.673 0.725 1.00 0.00 C ATOM 455 C LEU A 26 -25.605 -9.466 -0.547 1.00 0.00 C ATOM 456 O LEU A 26 -24.450 -9.567 -0.956 1.00 0.00 O ATOM 457 CB LEU A 26 -27.066 -7.682 0.569 1.00 0.00 C ATOM 458 CG LEU A 26 -26.677 -6.255 0.176 1.00 0.00 C ATOM 459 CD1 LEU A 26 -27.604 -5.715 -0.916 1.00 0.00 C ATOM 460 CD2 LEU A 26 -26.640 -5.340 1.402 1.00 0.00 C ATOM 0 H LEU A 26 -24.258 -7.415 0.451 1.00 0.00 H new ATOM 0 HA LEU A 26 -26.237 -9.391 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -27.753 -8.070 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -27.614 -7.642 1.510 1.00 0.00 H new ATOM 0 HG LEU A 26 -25.670 -6.277 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -27.306 -4.700 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -27.536 -6.351 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -28.631 -5.709 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -26.361 -4.332 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -27.625 -5.318 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -25.908 -5.718 2.116 1.00 0.00 H new ATOM 472 N ASN A 27 -26.660 -10.009 -1.137 1.00 0.00 N ATOM 473 CA ASN A 27 -26.518 -10.789 -2.354 1.00 0.00 C ATOM 474 C ASN A 27 -25.791 -9.953 -3.409 1.00 0.00 C ATOM 475 O ASN A 27 -25.846 -8.725 -3.379 1.00 0.00 O ATOM 476 CB ASN A 27 -27.885 -11.180 -2.920 1.00 0.00 C ATOM 477 CG ASN A 27 -27.961 -12.686 -3.179 1.00 0.00 C ATOM 478 OD1 ASN A 27 -28.141 -13.488 -2.279 1.00 0.00 O ATOM 479 ND2 ASN A 27 -27.814 -13.023 -4.457 1.00 0.00 N ATOM 0 H ASN A 27 -27.617 -9.924 -0.794 1.00 0.00 H new ATOM 0 HA ASN A 27 -25.956 -11.691 -2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -28.669 -10.888 -2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -28.067 -10.638 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -27.849 -14.004 -4.733 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -27.666 -12.300 -5.161 1.00 0.00 H new ATOM 486 N LEU A 28 -25.126 -10.653 -4.317 1.00 0.00 N ATOM 487 CA LEU A 28 -24.389 -9.991 -5.379 1.00 0.00 C ATOM 488 C LEU A 28 -24.883 -10.504 -6.733 1.00 0.00 C ATOM 489 O LEU A 28 -25.958 -11.095 -6.823 1.00 0.00 O ATOM 490 CB LEU A 28 -22.883 -10.157 -5.171 1.00 0.00 C ATOM 491 CG LEU A 28 -21.999 -9.047 -5.743 1.00 0.00 C ATOM 492 CD1 LEU A 28 -21.498 -8.118 -4.635 1.00 0.00 C ATOM 493 CD2 LEU A 28 -20.848 -9.631 -6.565 1.00 0.00 C ATOM 0 H LEU A 28 -25.083 -11.672 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 28 -24.573 -8.917 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -22.691 -10.232 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -22.577 -11.103 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 28 -22.604 -8.444 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -20.872 -7.338 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -22.349 -7.661 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -20.915 -8.692 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -20.235 -8.821 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.236 -10.272 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -21.251 -10.217 -7.391 1.00 0.00 H new ATOM 505 N GLY A 29 -24.073 -10.260 -7.754 1.00 0.00 N ATOM 506 CA GLY A 29 -24.414 -10.690 -9.099 1.00 0.00 C ATOM 507 C GLY A 29 -24.469 -12.216 -9.189 1.00 0.00 C ATOM 508 O GLY A 29 -24.366 -12.958 -8.211 1.00 0.00 O ATOM 0 H GLY A 29 -23.182 -9.770 -7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -25.378 -10.270 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -23.677 -10.307 -9.805 1.00 0.00 H new ATOM 512 N PRO A 30 -24.641 -12.708 -10.431 1.00 0.00 N ATOM 513 CA PRO A 30 -24.875 -14.155 -10.681 1.00 0.00 C ATOM 514 C PRO A 30 -23.757 -15.158 -10.237 1.00 0.00 C ATOM 515 O PRO A 30 -23.576 -16.082 -11.028 1.00 0.00 O ATOM 516 CB PRO A 30 -25.171 -14.143 -12.198 1.00 0.00 C ATOM 517 CG PRO A 30 -24.449 -12.910 -12.757 1.00 0.00 C ATOM 518 CD PRO A 30 -24.546 -11.870 -11.639 1.00 0.00 C ATOM 0 HA PRO A 30 -25.675 -14.556 -10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -24.811 -15.055 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -26.243 -14.087 -12.386 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -23.411 -13.135 -13.001 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -24.922 -12.554 -13.672 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -23.672 -11.219 -11.614 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -25.419 -11.228 -11.757 1.00 0.00 H new ATOM 526 N ALA A 31 -23.090 -15.001 -9.103 1.00 0.00 N ATOM 527 CA ALA A 31 -22.061 -15.945 -8.702 1.00 0.00 C ATOM 528 C ALA A 31 -21.592 -15.612 -7.284 1.00 0.00 C ATOM 529 O ALA A 31 -20.419 -15.787 -6.958 1.00 0.00 O ATOM 530 CB ALA A 31 -20.916 -15.913 -9.718 1.00 0.00 C ATOM 0 H ALA A 31 -23.242 -14.233 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.457 -16.961 -8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.143 -16.621 -9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.296 -16.186 -10.703 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -20.493 -14.909 -9.758 1.00 0.00 H new ATOM 536 N TRP A 32 -22.532 -15.137 -6.482 1.00 0.00 N ATOM 537 CA TRP A 32 -22.230 -14.777 -5.106 1.00 0.00 C ATOM 538 C TRP A 32 -23.437 -15.151 -4.244 1.00 0.00 C ATOM 539 O TRP A 32 -24.194 -16.058 -4.590 1.00 0.00 O ATOM 540 CB TRP A 32 -21.853 -13.298 -4.996 1.00 0.00 C ATOM 541 CG TRP A 32 -20.555 -13.043 -4.228 1.00 0.00 C ATOM 542 CD1 TRP A 32 -20.331 -13.186 -2.914 1.00 0.00 C ATOM 543 CD2 TRP A 32 -19.302 -12.591 -4.784 1.00 0.00 C ATOM 544 NE1 TRP A 32 -19.032 -12.860 -2.584 1.00 0.00 N ATOM 545 CE2 TRP A 32 -18.386 -12.487 -3.756 1.00 0.00 C ATOM 546 CE3 TRP A 32 -18.954 -12.279 -6.110 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -17.063 -12.071 -3.949 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -17.628 -11.866 -6.285 1.00 0.00 C ATOM 549 CH2 TRP A 32 -16.694 -11.756 -5.262 1.00 0.00 C ATOM 0 H TRP A 32 -23.503 -14.993 -6.757 1.00 0.00 H new ATOM 0 HA TRP A 32 -21.360 -15.327 -4.746 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -21.757 -12.882 -5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -22.665 -12.762 -4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -21.074 -13.515 -2.203 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -18.621 -12.888 -1.651 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -19.654 -12.352 -6.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -16.365 -11.997 -3.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.308 -11.615 -7.286 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.688 -11.429 -5.479 1.00 0.00 H new ATOM 560 N GLY A 33 -23.578 -14.437 -3.137 1.00 0.00 N ATOM 561 CA GLY A 33 -24.680 -14.683 -2.222 1.00 0.00 C ATOM 562 C GLY A 33 -24.238 -15.574 -1.060 1.00 0.00 C ATOM 563 O GLY A 33 -23.647 -16.632 -1.274 1.00 0.00 O ATOM 0 H GLY A 33 -22.947 -13.688 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.056 -13.735 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.503 -15.158 -2.757 1.00 0.00 H new ATOM 567 N GLY A 34 -24.543 -15.115 0.145 1.00 0.00 N ATOM 568 CA GLY A 34 -24.185 -15.859 1.341 1.00 0.00 C ATOM 569 C GLY A 34 -22.762 -15.521 1.792 1.00 0.00 C ATOM 570 O GLY A 34 -22.432 -14.353 1.992 1.00 0.00 O ATOM 0 H GLY A 34 -25.034 -14.238 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -24.888 -15.628 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -24.264 -16.928 1.146 1.00 0.00 H new ATOM 574 N ARG A 35 -21.959 -16.564 1.936 1.00 0.00 N ATOM 575 CA ARG A 35 -20.579 -16.392 2.358 1.00 0.00 C ATOM 576 C ARG A 35 -19.888 -15.333 1.498 1.00 0.00 C ATOM 577 O ARG A 35 -19.329 -15.650 0.449 1.00 0.00 O ATOM 578 CB ARG A 35 -19.803 -17.708 2.258 1.00 0.00 C ATOM 579 CG ARG A 35 -20.272 -18.703 3.322 1.00 0.00 C ATOM 580 CD ARG A 35 -19.096 -19.184 4.175 1.00 0.00 C ATOM 581 NE ARG A 35 -19.502 -20.361 4.976 1.00 0.00 N ATOM 582 CZ ARG A 35 -18.819 -20.821 6.033 1.00 0.00 C ATOM 583 NH1 ARG A 35 -17.694 -20.206 6.424 1.00 0.00 N ATOM 584 NH2 ARG A 35 -19.262 -21.896 6.701 1.00 0.00 N ATOM 0 H ARG A 35 -22.237 -17.531 1.768 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.589 -16.068 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -19.938 -18.140 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.737 -17.516 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -21.021 -18.234 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -20.751 -19.556 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -18.253 -19.443 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -18.762 -18.383 4.834 1.00 0.00 H new ATOM 0 HE ARG A 35 -20.354 -20.852 4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.358 -19.387 5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.174 -20.557 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -20.119 -22.363 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.742 -22.246 7.506 1.00 0.00 H new ATOM 598 N CYS A 36 -19.948 -14.098 1.973 1.00 0.00 N ATOM 599 CA CYS A 36 -19.335 -12.990 1.260 1.00 0.00 C ATOM 600 C CYS A 36 -17.988 -12.684 1.915 1.00 0.00 C ATOM 601 O CYS A 36 -17.118 -13.550 1.989 1.00 0.00 O ATOM 602 CB CYS A 36 -20.248 -11.763 1.228 1.00 0.00 C ATOM 603 SG CYS A 36 -21.003 -11.409 -0.400 1.00 0.00 S ATOM 0 H CYS A 36 -20.412 -13.840 2.844 1.00 0.00 H new ATOM 0 HA CYS A 36 -19.175 -13.268 0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -21.044 -11.901 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -19.673 -10.892 1.543 1.00 0.00 H new TER 608 CYS A 36