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+ -118:sc= 1.74 (180deg=-0.118) USER MOD Single : A 6 ASN : amide:sc= -0.482 K(o=-0.48,f=-7.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HYP OD1 : rot 84:sc= 0.814 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 17 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3! C(o=-3!,f=-9.9!) 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= -0.139 X(o=-0.14,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 23.299 9.780 -13.322 1.00 0.00 N ATOM 2 CA TRP A 1 22.053 9.133 -13.692 1.00 0.00 C ATOM 3 C TRP A 1 21.975 7.796 -12.953 1.00 0.00 C ATOM 4 O TRP A 1 21.747 6.755 -13.566 1.00 0.00 O ATOM 5 CB TRP A 1 21.941 8.983 -15.210 1.00 0.00 C ATOM 6 CG TRP A 1 23.219 8.474 -15.880 1.00 0.00 C ATOM 7 CD1 TRP A 1 23.508 7.223 -16.264 1.00 0.00 C ATOM 8 CD2 TRP A 1 24.377 9.261 -16.233 1.00 0.00 C ATOM 9 NE1 TRP A 1 24.762 7.147 -16.835 1.00 0.00 N ATOM 10 CE2 TRP A 1 25.307 8.424 -16.817 1.00 0.00 C ATOM 11 CE3 TRP A 1 24.630 10.634 -16.066 1.00 0.00 C ATOM 12 CZ2 TRP A 1 26.552 8.866 -17.278 1.00 0.00 C ATOM 13 CZ3 TRP A 1 25.879 11.060 -16.533 1.00 0.00 C ATOM 14 CH2 TRP A 1 26.826 10.231 -17.121 1.00 0.00 C ATOM 0 H1 TRP A 1 23.094 10.680 -12.843 1.00 0.00 H new ATOM 0 H2 TRP A 1 23.835 9.161 -12.680 1.00 0.00 H new ATOM 0 H3 TRP A 1 23.862 9.963 -14.177 1.00 0.00 H new ATOM 0 HA TRP A 1 21.201 9.745 -13.396 1.00 0.00 H new ATOM 0 HB2 TRP A 1 21.125 8.297 -15.438 1.00 0.00 H new ATOM 0 HB3 TRP A 1 21.676 9.948 -15.642 1.00 0.00 H new ATOM 0 HD1 TRP A 1 22.843 6.381 -16.142 1.00 0.00 H new ATOM 0 HE1 TRP A 1 25.207 6.306 -17.203 1.00 0.00 H new ATOM 0 HE3 TRP A 1 23.917 11.307 -15.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 27.264 8.191 -17.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 26.124 12.107 -16.429 1.00 0.00 H new ATOM 0 HH2 TRP A 1 27.769 10.637 -17.456 1.00 0.00 H new ATOM 25 N GLU A 2 22.171 7.868 -11.644 1.00 0.00 N ATOM 26 CA GLU A 2 22.126 6.676 -10.814 1.00 0.00 C ATOM 27 C GLU A 2 22.181 7.058 -9.334 1.00 0.00 C ATOM 28 O GLU A 2 22.865 8.010 -8.959 1.00 0.00 O ATOM 29 CB GLU A 2 23.260 5.714 -11.175 1.00 0.00 C ATOM 30 CG GLU A 2 24.619 6.411 -11.086 1.00 0.00 C ATOM 31 CD GLU A 2 25.755 5.389 -10.998 1.00 0.00 C ATOM 32 OE1 GLU A 2 25.783 4.497 -11.874 1.00 0.00 O ATOM 33 OE2 GLU A 2 26.569 5.524 -10.060 1.00 0.00 O ATOM 0 H GLU A 2 22.361 8.733 -11.138 1.00 0.00 H new ATOM 0 HA GLU A 2 21.184 6.161 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 2 23.242 4.856 -10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 2 23.109 5.331 -12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 2 24.764 7.046 -11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 2 24.642 7.061 -10.212 1.00 0.00 H new ATOM 40 N TRP A 3 21.454 6.295 -8.531 1.00 0.00 N ATOM 41 CA TRP A 3 21.412 6.542 -7.100 1.00 0.00 C ATOM 42 C TRP A 3 20.858 5.287 -6.420 1.00 0.00 C ATOM 43 O TRP A 3 20.235 4.409 -7.018 1.00 0.00 O ATOM 44 CB TRP A 3 20.601 7.800 -6.784 1.00 0.00 C ATOM 45 CG TRP A 3 20.186 8.600 -8.019 1.00 0.00 C ATOM 46 CD1 TRP A 3 19.104 8.425 -8.792 1.00 0.00 C ATOM 47 CD2 TRP A 3 20.895 9.716 -8.599 1.00 0.00 C ATOM 48 NE1 TRP A 3 19.064 9.342 -9.822 1.00 0.00 N ATOM 49 CE2 TRP A 3 20.188 10.152 -9.701 1.00 0.00 C ATOM 50 CE3 TRP A 3 22.093 10.337 -8.205 1.00 0.00 C ATOM 51 CZ2 TRP A 3 20.599 11.226 -10.499 1.00 0.00 C ATOM 52 CZ3 TRP A 3 22.490 11.408 -9.013 1.00 0.00 C ATOM 53 CH2 TRP A 3 21.790 11.860 -10.126 1.00 0.00 C ATOM 0 H TRP A 3 20.889 5.505 -8.844 1.00 0.00 H new ATOM 0 HA TRP A 3 22.412 6.736 -6.713 1.00 0.00 H new ATOM 0 HB2 TRP A 3 19.706 7.513 -6.232 1.00 0.00 H new ATOM 0 HB3 TRP A 3 21.188 8.443 -6.128 1.00 0.00 H new ATOM 0 HD1 TRP A 3 18.358 7.662 -8.629 1.00 0.00 H new ATOM 0 HE1 TRP A 3 18.343 9.413 -10.540 1.00 0.00 H new ATOM 0 HE3 TRP A 3 22.662 10.013 -7.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 20.028 11.548 -11.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 23.405 11.920 -8.754 1.00 0.00 H new ATOM 0 HH2 TRP A 3 22.163 12.696 -10.700 1.00 0.00 H new ATOM 64 N PRO A 4 21.100 5.202 -5.097 1.00 0.00 N ATOM 65 CA PRO A 4 20.775 3.981 -4.313 1.00 0.00 C ATOM 66 C PRO A 4 19.267 3.570 -4.202 1.00 0.00 C ATOM 67 O PRO A 4 18.850 2.946 -5.176 1.00 0.00 O ATOM 68 CB PRO A 4 21.460 4.310 -2.968 1.00 0.00 C ATOM 69 CG PRO A 4 21.499 5.841 -2.880 1.00 0.00 C ATOM 70 CD PRO A 4 21.702 6.303 -4.324 1.00 0.00 C ATOM 0 HA PRO A 4 21.129 3.073 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 4 20.904 3.885 -2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 4 22.465 3.891 -2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 4 20.574 6.238 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 4 22.311 6.181 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 4 21.207 7.254 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 4 22.757 6.437 -4.563 1.00 0.00 H new ATOM 78 N TRP A 5 18.535 3.888 -3.144 1.00 0.00 N ATOM 79 CA TRP A 5 17.135 3.505 -3.061 1.00 0.00 C ATOM 80 C TRP A 5 17.016 2.047 -3.510 1.00 0.00 C ATOM 81 O TRP A 5 16.183 1.719 -4.354 1.00 0.00 O ATOM 82 CB TRP A 5 16.257 4.456 -3.878 1.00 0.00 C ATOM 83 CG TRP A 5 16.396 4.285 -5.391 1.00 0.00 C ATOM 84 CD1 TRP A 5 17.355 4.770 -6.192 1.00 0.00 C ATOM 85 CD2 TRP A 5 15.503 3.557 -6.261 1.00 0.00 C ATOM 86 NE1 TRP A 5 17.147 4.408 -7.507 1.00 0.00 N ATOM 87 CE2 TRP A 5 15.985 3.647 -7.551 1.00 0.00 C ATOM 88 CE3 TRP A 5 14.326 2.845 -5.966 1.00 0.00 C ATOM 89 CZ2 TRP A 5 15.353 3.050 -8.648 1.00 0.00 C ATOM 90 CZ3 TRP A 5 13.707 2.254 -7.074 1.00 0.00 C ATOM 91 CH2 TRP A 5 14.180 2.336 -8.379 1.00 0.00 C ATOM 0 H TRP A 5 18.884 4.406 -2.338 1.00 0.00 H new ATOM 0 HA TRP A 5 16.774 3.584 -2.036 1.00 0.00 H new ATOM 0 HB2 TRP A 5 15.215 4.301 -3.599 1.00 0.00 H new ATOM 0 HB3 TRP A 5 16.508 5.483 -3.614 1.00 0.00 H new ATOM 0 HD1 TRP A 5 18.186 5.369 -5.851 1.00 0.00 H new ATOM 0 HE1 TRP A 5 17.738 4.654 -8.301 1.00 0.00 H new ATOM 0 HE3 TRP A 5 13.931 2.761 -4.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 15.750 3.136 -9.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 12.799 1.695 -6.903 1.00 0.00 H new ATOM 0 HH2 TRP A 5 13.644 1.851 -9.182 1.00 0.00 H new ATOM 102 N ASN A 6 17.863 1.211 -2.927 1.00 0.00 N ATOM 103 CA ASN A 6 17.863 -0.205 -3.257 1.00 0.00 C ATOM 104 C ASN A 6 17.616 -1.020 -1.986 1.00 0.00 C ATOM 105 O ASN A 6 18.554 -1.542 -1.387 1.00 0.00 O ATOM 106 CB ASN A 6 19.211 -0.633 -3.839 1.00 0.00 C ATOM 107 CG ASN A 6 20.356 -0.284 -2.887 1.00 0.00 C ATOM 108 OD1 ASN A 6 20.234 0.555 -2.010 1.00 0.00 O ATOM 109 ND2 ASN A 6 21.473 -0.973 -3.108 1.00 0.00 N ATOM 0 H ASN A 6 18.554 1.486 -2.229 1.00 0.00 H new ATOM 0 HA ASN A 6 17.079 -0.381 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 6 19.205 -1.707 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 6 19.369 -0.141 -4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 6 22.295 -0.813 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 6 21.507 -1.661 -3.860 1.00 0.00 H new ATOM 116 N ARG A 7 16.347 -1.103 -1.613 1.00 0.00 N ATOM 117 CA ARG A 7 15.964 -1.846 -0.424 1.00 0.00 C ATOM 118 C ARG A 7 14.540 -2.387 -0.572 1.00 0.00 C ATOM 119 O ARG A 7 13.579 -1.727 -0.181 1.00 0.00 O ATOM 120 CB ARG A 7 16.041 -0.965 0.824 1.00 0.00 C ATOM 121 CG ARG A 7 17.323 -1.243 1.613 1.00 0.00 C ATOM 122 CD ARG A 7 17.080 -1.107 3.118 1.00 0.00 C ATOM 123 NE ARG A 7 17.863 -2.128 3.850 1.00 0.00 N ATOM 124 CZ ARG A 7 19.186 -2.058 4.053 1.00 0.00 C ATOM 125 NH1 ARG A 7 19.881 -1.016 3.579 1.00 0.00 N ATOM 126 NH2 ARG A 7 19.811 -3.030 4.729 1.00 0.00 N ATOM 0 H ARG A 7 15.571 -0.668 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 7 16.662 -2.676 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.008 0.085 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 7 15.173 -1.148 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.682 -2.247 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 7 18.103 -0.548 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 7 17.365 -0.109 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.019 -1.225 3.336 1.00 0.00 H new ATOM 0 HE ARG A 7 17.364 -2.936 4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 7 19.403 -0.276 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 7 20.888 -0.962 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 7 19.280 -3.823 5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 7 20.818 -2.977 4.884 1.00 0.00 H new ATOM 140 N LYS A 8 14.451 -3.582 -1.136 1.00 0.00 N ATOM 141 CA LYS A 8 13.161 -4.219 -1.340 1.00 0.00 C ATOM 142 C LYS A 8 12.328 -4.093 -0.063 1.00 0.00 C ATOM 143 O LYS A 8 12.402 -4.901 0.866 1.00 0.00 O ATOM 144 CB LYS A 8 13.345 -5.662 -1.815 1.00 0.00 C ATOM 145 CG LYS A 8 12.589 -5.909 -3.121 1.00 0.00 C ATOM 146 CD LYS A 8 11.896 -7.274 -3.104 1.00 0.00 C ATOM 147 CE LYS A 8 10.854 -7.374 -4.221 1.00 0.00 C ATOM 148 NZ LYS A 8 10.842 -8.737 -4.797 1.00 0.00 N ATOM 0 H LYS A 8 15.251 -4.126 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 8 12.608 -3.715 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.405 -5.869 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.988 -6.349 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.849 -5.123 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.282 -5.859 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.638 -8.064 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.415 -7.430 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.867 -7.130 -3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.076 -6.645 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.130 -8.788 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.780 -8.956 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.608 -9.426 -4.054 1.00 0.00 H new HETATM 162 N HYP A 9 11.482 -3.006 -0.024 1.00 0.00 N HETATM 163 CA HYP A 9 10.667 -2.650 1.153 1.00 0.00 C HETATM 164 C HYP A 9 9.692 -3.739 1.664 1.00 0.00 C HETATM 165 O HYP A 9 9.036 -4.408 0.867 1.00 0.00 O HETATM 166 CB HYP A 9 9.885 -1.401 0.705 1.00 0.00 C HETATM 167 CG HYP A 9 10.714 -0.830 -0.448 1.00 0.00 C HETATM 168 CD HYP A 9 11.197 -2.109 -1.139 1.00 0.00 C HETATM 169 OD1 HYP A 9 11.822 -0.142 0.109 1.00 0.00 O HETATM 0 HD23 HYP A 9 12.084 -1.928 -1.746 1.00 0.00 H new HETATM 0 HD22 HYP A 9 10.436 -2.520 -1.802 1.00 0.00 H new HETATM 0 HG HYP A 9 10.186 -0.143 -1.109 1.00 0.00 H new HETATM 0 HD1 HYP A 9 12.541 -0.780 0.299 1.00 0.00 H new HETATM 0 HB3 HYP A 9 8.877 -1.658 0.381 1.00 0.00 H new HETATM 0 HB2 HYP A 9 9.785 -0.681 1.518 1.00 0.00 H new HETATM 0 HA HYP A 9 11.326 -2.499 2.008 1.00 0.00 H new ATOM 177 N THR A 10 9.527 -3.763 2.978 1.00 0.00 N ATOM 178 CA THR A 10 8.521 -4.613 3.590 1.00 0.00 C ATOM 179 C THR A 10 7.153 -3.925 3.562 1.00 0.00 C ATOM 180 O THR A 10 7.057 -2.742 3.240 1.00 0.00 O ATOM 181 CB THR A 10 8.994 -4.965 5.002 1.00 0.00 C ATOM 182 OG1 THR A 10 10.396 -5.171 4.856 1.00 0.00 O ATOM 183 CG2 THR A 10 8.466 -6.321 5.475 1.00 0.00 C ATOM 0 H THR A 10 10.073 -3.207 3.636 1.00 0.00 H new ATOM 0 HA THR A 10 8.396 -5.541 3.033 1.00 0.00 H new ATOM 0 HB THR A 10 8.674 -4.188 5.697 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.785 -5.402 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.831 -6.522 6.482 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.376 -6.305 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.814 -7.103 4.800 1.00 0.00 H new ATOM 191 N LYS A 11 6.132 -4.697 3.904 1.00 0.00 N ATOM 192 CA LYS A 11 4.775 -4.177 3.922 1.00 0.00 C ATOM 193 C LYS A 11 4.580 -3.232 2.734 1.00 0.00 C ATOM 194 O LYS A 11 4.736 -2.019 2.870 1.00 0.00 O ATOM 195 CB LYS A 11 4.465 -3.536 5.276 1.00 0.00 C ATOM 196 CG LYS A 11 3.362 -2.483 5.144 1.00 0.00 C ATOM 197 CD LYS A 11 2.453 -2.485 6.375 1.00 0.00 C ATOM 198 CE LYS A 11 1.550 -1.250 6.391 1.00 0.00 C ATOM 199 NZ LYS A 11 0.401 -1.437 5.476 1.00 0.00 N ATOM 0 H LYS A 11 6.217 -5.678 4.171 1.00 0.00 H new ATOM 0 HA LYS A 11 4.055 -4.987 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.156 -4.305 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.367 -3.075 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.809 -1.497 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.770 -2.681 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.841 -3.387 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.060 -2.508 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.190 -1.068 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.121 -0.371 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.202 -0.590 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.749 -1.588 4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.152 -2.264 5.778 1.00 0.00 H new ATOM 213 N PHE A 12 4.241 -3.822 1.598 1.00 0.00 N ATOM 214 CA PHE A 12 4.023 -3.049 0.388 1.00 0.00 C ATOM 215 C PHE A 12 3.214 -1.784 0.685 1.00 0.00 C ATOM 216 O PHE A 12 2.645 -1.591 1.761 1.00 0.00 O ATOM 217 CB PHE A 12 3.228 -3.935 -0.572 1.00 0.00 C ATOM 218 CG PHE A 12 2.206 -4.840 0.118 1.00 0.00 C ATOM 219 CD1 PHE A 12 1.079 -4.306 0.661 1.00 0.00 C ATOM 220 CD2 PHE A 12 2.425 -6.181 0.190 1.00 0.00 C ATOM 221 CE1 PHE A 12 0.132 -5.146 1.301 1.00 0.00 C ATOM 222 CE2 PHE A 12 1.476 -7.022 0.831 1.00 0.00 C ATOM 223 CZ PHE A 12 0.351 -6.487 1.373 1.00 0.00 C ATOM 0 H PHE A 12 4.112 -4.828 1.490 1.00 0.00 H new ATOM 0 HA PHE A 12 4.980 -2.745 -0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.709 -3.300 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.923 -4.555 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.905 -3.242 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.320 -6.606 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.763 -4.721 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.649 -8.087 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.370 -7.126 1.861 1.00 0.00 H new HETATM 233 N HYP A 13 3.168 -0.868 -0.344 1.00 0.00 N HETATM 234 CA HYP A 13 2.524 0.456 -0.228 1.00 0.00 C HETATM 235 C HYP A 13 1.008 0.452 0.082 1.00 0.00 C HETATM 236 O HYP A 13 0.296 -0.474 -0.305 1.00 0.00 O HETATM 237 CB HYP A 13 2.789 1.122 -1.592 1.00 0.00 C HETATM 238 CG HYP A 13 4.008 0.379 -2.144 1.00 0.00 C HETATM 239 CD HYP A 13 3.731 -1.052 -1.677 1.00 0.00 C HETATM 240 OD1 HYP A 13 5.160 0.881 -1.487 1.00 0.00 O HETATM 0 HD23 HYP A 13 4.642 -1.649 -1.650 1.00 0.00 H new HETATM 0 HD22 HYP A 13 3.034 -1.564 -2.341 1.00 0.00 H new HETATM 0 HG HYP A 13 4.165 0.470 -3.219 1.00 0.00 H new HETATM 0 HD1 HYP A 13 5.956 0.418 -1.823 1.00 0.00 H new HETATM 0 HB3 HYP A 13 1.930 1.025 -2.256 1.00 0.00 H new HETATM 0 HB2 HYP A 13 2.989 2.188 -1.482 1.00 0.00 H new HETATM 0 HA HYP A 13 2.942 0.981 0.631 1.00 0.00 H new ATOM 248 N ILE A 14 0.554 1.567 0.637 1.00 0.00 N ATOM 249 CA ILE A 14 -0.870 1.780 0.830 1.00 0.00 C ATOM 250 C ILE A 14 -1.425 0.685 1.744 1.00 0.00 C ATOM 251 O ILE A 14 -1.115 -0.503 1.629 1.00 0.00 O ATOM 252 CB ILE A 14 -1.586 1.877 -0.518 1.00 0.00 C ATOM 253 CG1 ILE A 14 -2.401 3.169 -0.615 1.00 0.00 C ATOM 254 CG2 ILE A 14 -2.445 0.637 -0.774 1.00 0.00 C ATOM 255 CD1 ILE A 14 -3.300 3.159 -1.853 1.00 0.00 C ATOM 0 H ILE A 14 1.147 2.332 0.959 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.048 2.733 1.328 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.831 1.913 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.011 3.286 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.728 4.025 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.943 0.732 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.811 -0.250 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.194 0.544 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.868 4.088 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.685 3.066 -2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.988 2.316 -1.796 1.00 0.00 H new HETATM 267 N HYP A 15 -2.304 1.124 2.710 1.00 0.00 N HETATM 268 CA HYP A 15 -2.876 0.246 3.749 1.00 0.00 C HETATM 269 C HYP A 15 -3.369 -1.143 3.275 1.00 0.00 C HETATM 270 O HYP A 15 -3.721 -1.312 2.108 1.00 0.00 O HETATM 271 CB HYP A 15 -4.050 1.061 4.326 1.00 0.00 C HETATM 272 CG HYP A 15 -3.707 2.512 3.977 1.00 0.00 C HETATM 273 CD HYP A 15 -3.081 2.353 2.589 1.00 0.00 C HETATM 274 OD1 HYP A 15 -2.725 2.962 4.896 1.00 0.00 O HETATM 0 HD23 HYP A 15 -2.450 3.204 2.332 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -3.841 2.274 1.812 1.00 0.00 H new HETATM 0 HG HYP A 15 -4.543 3.211 4.006 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -2.487 3.890 4.692 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -5.000 0.759 3.884 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -4.141 0.921 5.403 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.095 -0.009 4.466 1.00 0.00 H new ATOM 282 N SER A 16 -3.520 -2.036 4.241 1.00 0.00 N ATOM 283 CA SER A 16 -4.135 -3.326 3.978 1.00 0.00 C ATOM 284 C SER A 16 -5.530 -3.130 3.382 1.00 0.00 C ATOM 285 O SER A 16 -6.138 -2.059 3.441 1.00 0.00 O ATOM 286 CB SER A 16 -4.216 -4.169 5.252 1.00 0.00 C ATOM 287 OG SER A 16 -2.925 -4.510 5.750 1.00 0.00 O ATOM 0 H SER A 16 -3.227 -1.892 5.207 1.00 0.00 H new ATOM 0 HA SER A 16 -3.512 -3.860 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.766 -3.619 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.778 -5.080 5.048 1.00 0.00 H new ATOM 0 HG SER A 16 -3.020 -5.047 6.565 1.00 0.00 H new HETATM 293 N HYP A 17 -6.064 -4.243 2.769 1.00 0.00 N HETATM 294 CA HYP A 17 -7.353 -4.237 2.050 1.00 0.00 C HETATM 295 C HYP A 17 -8.602 -3.881 2.890 1.00 0.00 C HETATM 296 O HYP A 17 -8.816 -4.454 3.957 1.00 0.00 O HETATM 297 CB HYP A 17 -7.474 -5.667 1.487 1.00 0.00 C HETATM 298 CG HYP A 17 -6.034 -6.182 1.448 1.00 0.00 C HETATM 299 CD HYP A 17 -5.456 -5.568 2.727 1.00 0.00 C HETATM 300 OD1 HYP A 17 -5.397 -5.613 0.316 1.00 0.00 O HETATM 0 HD23 HYP A 17 -4.368 -5.510 2.689 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -5.713 -6.157 3.608 1.00 0.00 H new HETATM 0 HG HYP A 17 -5.925 -7.265 1.389 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -4.470 -5.927 0.270 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -8.103 -6.292 2.121 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -7.923 -5.667 0.494 1.00 0.00 H new HETATM 0 HA HYP A 17 -7.339 -3.446 1.300 1.00 0.00 H new ATOM 308 N ASN A 18 -9.454 -3.060 2.295 1.00 0.00 N ATOM 309 CA ASN A 18 -10.749 -2.768 2.885 1.00 0.00 C ATOM 310 C ASN A 18 -10.591 -2.608 4.399 1.00 0.00 C ATOM 311 O ASN A 18 -10.661 -3.557 5.182 1.00 0.00 O ATOM 312 CB ASN A 18 -11.739 -3.908 2.631 1.00 0.00 C ATOM 313 CG ASN A 18 -13.101 -3.600 3.257 1.00 0.00 C ATOM 314 OD1 ASN A 18 -13.223 -3.335 4.442 1.00 0.00 O ATOM 315 ND2 ASN A 18 -14.114 -3.650 2.397 1.00 0.00 N ATOM 0 H ASN A 18 -9.273 -2.587 1.410 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.128 -1.852 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.854 -4.062 1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.345 -4.836 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.064 -3.460 2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.941 -3.878 1.418 1.00 0.00 H new HETATM 322 N HYP A 19 -10.363 -1.318 4.826 1.00 0.00 N HETATM 323 CA HYP A 19 -10.087 -0.964 6.232 1.00 0.00 C HETATM 324 C HYP A 19 -11.248 -1.184 7.232 1.00 0.00 C HETATM 325 O HYP A 19 -11.125 -0.847 8.409 1.00 0.00 O HETATM 326 CB HYP A 19 -9.706 0.529 6.175 1.00 0.00 C HETATM 327 CG HYP A 19 -9.256 0.747 4.728 1.00 0.00 C HETATM 328 CD HYP A 19 -10.236 -0.147 3.965 1.00 0.00 C HETATM 329 OD1 HYP A 19 -7.940 0.235 4.597 1.00 0.00 O HETATM 0 HD23 HYP A 19 -9.854 -0.412 2.979 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -11.196 0.347 3.813 1.00 0.00 H new HETATM 0 HG HYP A 19 -9.250 1.783 4.390 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -7.630 0.362 3.676 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -10.553 1.166 6.429 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -8.908 0.764 6.880 1.00 0.00 H new HETATM 0 HA HYP A 19 -9.310 -1.624 6.619 1.00 0.00 H new ATOM 337 N ARG A 20 -12.266 -1.884 6.753 1.00 0.00 N ATOM 338 CA ARG A 20 -13.349 -2.317 7.619 1.00 0.00 C ATOM 339 C ARG A 20 -13.656 -3.797 7.385 1.00 0.00 C ATOM 340 O ARG A 20 -14.764 -4.256 7.661 1.00 0.00 O ATOM 341 CB ARG A 20 -14.616 -1.495 7.370 1.00 0.00 C ATOM 342 CG ARG A 20 -15.534 -1.518 8.594 1.00 0.00 C ATOM 343 CD ARG A 20 -16.405 -0.262 8.649 1.00 0.00 C ATOM 344 NE ARG A 20 -17.084 -0.173 9.961 1.00 0.00 N ATOM 345 CZ ARG A 20 -17.869 0.845 10.334 1.00 0.00 C ATOM 346 NH1 ARG A 20 -18.081 1.869 9.496 1.00 0.00 N ATOM 347 NH2 ARG A 20 -18.444 0.841 11.545 1.00 0.00 N ATOM 0 H ARG A 20 -12.363 -2.162 5.776 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.029 -2.167 8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.345 -0.466 7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.147 -1.892 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.168 -2.404 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.934 -1.589 9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.791 0.624 8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.145 -0.287 7.849 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.945 -0.936 10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.644 1.872 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.679 2.645 9.780 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.283 0.062 12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.042 1.617 11.828 1.00 0.00 H new ATOM 361 N ASP A 21 -12.656 -4.504 6.881 1.00 0.00 N ATOM 362 CA ASP A 21 -12.805 -5.923 6.607 1.00 0.00 C ATOM 363 C ASP A 21 -12.080 -6.726 7.689 1.00 0.00 C ATOM 364 O ASP A 21 -10.895 -6.510 7.937 1.00 0.00 O ATOM 365 CB ASP A 21 -12.191 -6.291 5.255 1.00 0.00 C ATOM 366 CG ASP A 21 -12.595 -7.663 4.712 1.00 0.00 C ATOM 367 OD1 ASP A 21 -13.761 -8.045 4.950 1.00 0.00 O ATOM 368 OD2 ASP A 21 -11.730 -8.298 4.072 1.00 0.00 O ATOM 0 H ASP A 21 -11.738 -4.120 6.655 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.870 -6.153 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.473 -5.531 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.105 -6.258 5.345 1.00 0.00 H new ATOM 373 N LYS A 22 -12.822 -7.635 8.304 1.00 0.00 N ATOM 374 CA LYS A 22 -12.265 -8.470 9.353 1.00 0.00 C ATOM 375 C LYS A 22 -11.521 -7.590 10.359 1.00 0.00 C ATOM 376 O LYS A 22 -10.642 -8.067 11.076 1.00 0.00 O ATOM 377 CB LYS A 22 -11.402 -9.582 8.752 1.00 0.00 C ATOM 378 CG LYS A 22 -10.161 -9.004 8.070 1.00 0.00 C ATOM 379 CD LYS A 22 -9.129 -10.099 7.791 1.00 0.00 C ATOM 380 CE LYS A 22 -7.736 -9.669 8.256 1.00 0.00 C ATOM 381 NZ LYS A 22 -6.693 -10.278 7.400 1.00 0.00 N ATOM 0 H LYS A 22 -13.805 -7.811 8.095 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.061 -8.976 9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.100 -10.277 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.987 -10.151 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.447 -8.522 7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.719 -8.235 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.420 -11.017 8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.108 -10.321 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.654 -8.583 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.584 -9.968 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.754 -9.976 7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.762 -11.314 7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.830 -9.972 6.415 1.00 0.00 H new ATOM 395 N TRP A 23 -11.901 -6.321 10.382 1.00 0.00 N ATOM 396 CA TRP A 23 -11.280 -5.370 11.288 1.00 0.00 C ATOM 397 C TRP A 23 -11.761 -5.686 12.706 1.00 0.00 C ATOM 398 O TRP A 23 -12.506 -6.642 12.914 1.00 0.00 O ATOM 399 CB TRP A 23 -11.579 -3.932 10.861 1.00 0.00 C ATOM 400 CG TRP A 23 -12.322 -3.111 11.916 1.00 0.00 C ATOM 401 CD1 TRP A 23 -13.582 -3.269 12.347 1.00 0.00 C ATOM 402 CD2 TRP A 23 -11.799 -1.992 12.662 1.00 0.00 C ATOM 403 NE1 TRP A 23 -13.907 -2.336 13.311 1.00 0.00 N ATOM 404 CE2 TRP A 23 -12.788 -1.536 13.509 1.00 0.00 C ATOM 405 CE3 TRP A 23 -10.531 -1.384 12.622 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -12.613 -0.452 14.379 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -10.373 -0.304 13.497 1.00 0.00 C ATOM 408 CH2 TRP A 23 -11.359 0.167 14.356 1.00 0.00 C ATOM 0 H TRP A 23 -12.631 -5.929 9.788 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.194 -5.462 11.260 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -10.640 -3.432 10.622 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -12.172 -3.951 9.947 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -14.257 -4.030 11.985 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -14.803 -2.250 13.790 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -9.742 -1.724 11.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -13.403 -0.113 15.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -9.417 0.199 13.506 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -11.158 1.008 15.003 1.00 0.00 H new ATOM 419 N CYS A 24 -11.316 -4.862 13.644 1.00 0.00 N ATOM 420 CA CYS A 24 -11.692 -5.041 15.036 1.00 0.00 C ATOM 421 C CYS A 24 -11.051 -6.334 15.544 1.00 0.00 C ATOM 422 O CYS A 24 -11.546 -7.426 15.271 1.00 0.00 O ATOM 423 CB CYS A 24 -13.212 -5.049 15.215 1.00 0.00 C ATOM 424 SG CYS A 24 -13.816 -6.088 16.594 1.00 0.00 S ATOM 0 H CYS A 24 -10.699 -4.069 13.467 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.327 -4.200 15.625 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -13.550 -4.025 15.375 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -13.671 -5.396 14.289 1.00 0.00 H new ATOM 429 N ARG A 25 -9.958 -6.167 16.276 1.00 0.00 N ATOM 430 CA ARG A 25 -9.244 -7.307 16.824 1.00 0.00 C ATOM 431 C ARG A 25 -9.608 -7.502 18.297 1.00 0.00 C ATOM 432 O ARG A 25 -9.388 -8.575 18.858 1.00 0.00 O ATOM 433 CB ARG A 25 -7.730 -7.120 16.701 1.00 0.00 C ATOM 434 CG ARG A 25 -7.042 -8.439 16.348 1.00 0.00 C ATOM 435 CD ARG A 25 -6.191 -8.293 15.083 1.00 0.00 C ATOM 436 NE ARG A 25 -5.921 -9.625 14.498 1.00 0.00 N ATOM 437 CZ ARG A 25 -5.119 -9.834 13.445 1.00 0.00 C ATOM 438 NH1 ARG A 25 -4.505 -8.799 12.855 1.00 0.00 N ATOM 439 NH2 ARG A 25 -4.932 -11.078 12.982 1.00 0.00 N ATOM 0 H ARG A 25 -9.550 -5.260 16.502 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.537 -8.188 16.253 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.513 -6.376 15.935 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.330 -6.737 17.640 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.413 -8.759 17.179 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.792 -9.216 16.198 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.709 -7.666 14.357 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.252 -7.795 15.322 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.373 -10.435 14.923 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.648 -7.853 13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.894 -8.958 12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.400 -11.865 13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.322 -11.237 12.180 1.00 0.00 H new ATOM 453 N LEU A 26 -10.160 -6.449 18.882 1.00 0.00 N ATOM 454 CA LEU A 26 -10.558 -6.491 20.279 1.00 0.00 C ATOM 455 C LEU A 26 -12.085 -6.496 20.370 1.00 0.00 C ATOM 456 O LEU A 26 -12.769 -6.683 19.366 1.00 0.00 O ATOM 457 CB LEU A 26 -9.899 -5.351 21.058 1.00 0.00 C ATOM 458 CG LEU A 26 -8.369 -5.332 21.052 1.00 0.00 C ATOM 459 CD1 LEU A 26 -7.802 -6.753 21.065 1.00 0.00 C ATOM 460 CD2 LEU A 26 -7.836 -4.511 19.876 1.00 0.00 C ATOM 0 H LEU A 26 -10.341 -5.561 18.414 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.208 -7.411 20.748 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.256 -4.405 20.651 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.238 -5.401 22.093 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.030 -4.843 21.965 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.713 -6.710 21.060 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.141 -7.272 21.962 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.148 -7.291 20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.746 -4.513 19.895 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.184 -4.948 18.940 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.198 -3.486 19.954 1.00 0.00 H new ATOM 472 N ASN A 27 -12.574 -6.291 21.584 1.00 0.00 N ATOM 473 CA ASN A 27 -14.008 -6.269 21.820 1.00 0.00 C ATOM 474 C ASN A 27 -14.587 -4.957 21.291 1.00 0.00 C ATOM 475 O ASN A 27 -14.219 -3.879 21.757 1.00 0.00 O ATOM 476 CB ASN A 27 -14.321 -6.357 23.315 1.00 0.00 C ATOM 477 CG ASN A 27 -15.145 -7.606 23.630 1.00 0.00 C ATOM 478 OD1 ASN A 27 -15.987 -8.037 22.860 1.00 0.00 O ATOM 479 ND2 ASN A 27 -14.856 -8.163 24.803 1.00 0.00 N ATOM 0 H ASN A 27 -12.003 -6.139 22.415 1.00 0.00 H new ATOM 0 HA ASN A 27 -14.448 -7.126 21.309 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.392 -6.377 23.884 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.868 -5.468 23.629 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.351 -9.002 25.105 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.139 -7.751 25.400 1.00 0.00 H new ATOM 486 N LEU A 28 -15.485 -5.090 20.325 1.00 0.00 N ATOM 487 CA LEU A 28 -16.119 -3.927 19.728 1.00 0.00 C ATOM 488 C LEU A 28 -17.371 -3.566 20.531 1.00 0.00 C ATOM 489 O LEU A 28 -17.539 -4.018 21.662 1.00 0.00 O ATOM 490 CB LEU A 28 -16.390 -4.169 18.242 1.00 0.00 C ATOM 491 CG LEU A 28 -16.141 -2.979 17.312 1.00 0.00 C ATOM 492 CD1 LEU A 28 -14.646 -2.687 17.183 1.00 0.00 C ATOM 493 CD2 LEU A 28 -16.801 -3.201 15.949 1.00 0.00 C ATOM 0 H LEU A 28 -15.788 -5.985 19.941 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.453 -3.065 19.771 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -15.768 -5.000 17.910 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -17.428 -4.482 18.129 1.00 0.00 H new ATOM 0 HG LEU A 28 -16.604 -2.097 17.755 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.497 -1.837 16.517 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.235 -2.454 18.165 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.138 -3.561 16.775 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.609 -2.341 15.307 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.389 -4.098 15.487 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -17.876 -3.322 16.081 1.00 0.00 H new ATOM 505 N GLY A 29 -18.216 -2.753 19.913 1.00 0.00 N ATOM 506 CA GLY A 29 -19.447 -2.325 20.556 1.00 0.00 C ATOM 507 C GLY A 29 -20.430 -1.754 19.533 1.00 0.00 C ATOM 508 O GLY A 29 -21.141 -2.452 18.809 1.00 0.00 O ATOM 0 H GLY A 29 -18.072 -2.380 18.975 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.904 -3.169 21.073 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.224 -1.571 21.311 1.00 0.00 H new ATOM 512 N PRO A 30 -20.469 -0.408 19.472 1.00 0.00 N ATOM 513 CA PRO A 30 -21.477 0.314 18.650 1.00 0.00 C ATOM 514 C PRO A 30 -21.533 -0.011 17.119 1.00 0.00 C ATOM 515 O PRO A 30 -21.299 0.958 16.397 1.00 0.00 O ATOM 516 CB PRO A 30 -21.131 1.781 18.991 1.00 0.00 C ATOM 517 CG PRO A 30 -19.646 1.783 19.380 1.00 0.00 C ATOM 518 CD PRO A 30 -19.433 0.442 20.084 1.00 0.00 C ATOM 0 HA PRO A 30 -22.496 0.012 18.891 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.312 2.434 18.137 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -21.750 2.148 19.810 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -19.006 1.877 18.503 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.409 2.619 20.038 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -18.431 0.048 19.912 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.562 0.525 21.163 1.00 0.00 H new ATOM 526 N ALA A 31 -21.814 -1.227 16.675 1.00 0.00 N ATOM 527 CA ALA A 31 -21.869 -1.510 15.250 1.00 0.00 C ATOM 528 C ALA A 31 -21.594 -2.997 15.019 1.00 0.00 C ATOM 529 O ALA A 31 -21.955 -3.544 13.978 1.00 0.00 O ATOM 530 CB ALA A 31 -20.873 -0.611 14.513 1.00 0.00 C ATOM 0 H ALA A 31 -22.006 -2.028 17.277 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.861 -1.293 14.853 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.914 -0.823 13.444 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.129 0.434 14.686 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.866 -0.804 14.883 1.00 0.00 H new ATOM 536 N TRP A 32 -20.956 -3.608 16.006 1.00 0.00 N ATOM 537 CA TRP A 32 -20.628 -5.022 15.923 1.00 0.00 C ATOM 538 C TRP A 32 -20.974 -5.667 17.266 1.00 0.00 C ATOM 539 O TRP A 32 -21.915 -5.246 17.937 1.00 0.00 O ATOM 540 CB TRP A 32 -19.165 -5.222 15.522 1.00 0.00 C ATOM 541 CG TRP A 32 -18.946 -6.351 14.513 1.00 0.00 C ATOM 542 CD1 TRP A 32 -18.617 -7.626 14.760 1.00 0.00 C ATOM 543 CD2 TRP A 32 -19.054 -6.255 13.077 1.00 0.00 C ATOM 544 NE1 TRP A 32 -18.505 -8.355 13.594 1.00 0.00 N ATOM 545 CE2 TRP A 32 -18.780 -7.495 12.538 1.00 0.00 C ATOM 546 CE3 TRP A 32 -19.373 -5.155 12.261 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -18.796 -7.754 11.162 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -19.385 -5.430 10.888 1.00 0.00 C ATOM 549 CH2 TRP A 32 -19.112 -6.673 10.329 1.00 0.00 C ATOM 0 H TRP A 32 -20.657 -3.151 16.867 1.00 0.00 H new ATOM 0 HA TRP A 32 -21.213 -5.509 15.143 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -18.784 -4.292 15.100 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -18.579 -5.429 16.417 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -18.459 -8.032 15.748 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -18.265 -9.344 13.521 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -19.591 -4.176 12.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.577 -8.734 10.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -19.623 -4.619 10.216 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.143 -6.805 9.258 1.00 0.00 H new ATOM 560 N GLY A 33 -20.194 -6.679 17.619 1.00 0.00 N ATOM 561 CA GLY A 33 -20.406 -7.385 18.870 1.00 0.00 C ATOM 562 C GLY A 33 -20.391 -8.900 18.653 1.00 0.00 C ATOM 563 O GLY A 33 -21.079 -9.412 17.770 1.00 0.00 O ATOM 0 H GLY A 33 -19.415 -7.026 17.060 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.630 -7.108 19.584 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.360 -7.085 19.304 1.00 0.00 H new ATOM 567 N GLY A 34 -19.600 -9.576 19.472 1.00 0.00 N ATOM 568 CA GLY A 34 -19.486 -11.021 19.381 1.00 0.00 C ATOM 569 C GLY A 34 -18.074 -11.436 18.965 1.00 0.00 C ATOM 570 O GLY A 34 -17.112 -10.711 19.213 1.00 0.00 O ATOM 0 H GLY A 34 -19.031 -9.149 20.203 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.732 -11.470 20.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.208 -11.401 18.658 1.00 0.00 H new ATOM 574 N ARG A 35 -17.994 -12.600 18.337 1.00 0.00 N ATOM 575 CA ARG A 35 -16.715 -13.118 17.883 1.00 0.00 C ATOM 576 C ARG A 35 -16.082 -12.161 16.871 1.00 0.00 C ATOM 577 O ARG A 35 -16.479 -12.131 15.707 1.00 0.00 O ATOM 578 CB ARG A 35 -16.877 -14.496 17.238 1.00 0.00 C ATOM 579 CG ARG A 35 -16.738 -15.609 18.278 1.00 0.00 C ATOM 580 CD ARG A 35 -18.110 -16.060 18.786 1.00 0.00 C ATOM 581 NE ARG A 35 -17.951 -16.904 19.992 1.00 0.00 N ATOM 582 CZ ARG A 35 -18.865 -17.786 20.416 1.00 0.00 C ATOM 583 NH1 ARG A 35 -20.009 -17.945 19.737 1.00 0.00 N ATOM 584 NH2 ARG A 35 -18.636 -18.509 21.521 1.00 0.00 N ATOM 0 H ARG A 35 -18.794 -13.199 18.132 1.00 0.00 H new ATOM 0 HA ARG A 35 -16.067 -13.210 18.755 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.853 -14.563 16.756 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -16.127 -14.627 16.458 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.212 -16.457 17.840 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.134 -15.257 19.114 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -18.725 -15.190 19.019 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -18.630 -16.618 18.007 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.092 -16.808 20.533 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -20.184 -17.394 18.897 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.705 -18.617 20.060 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.766 -18.387 22.039 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.332 -19.181 21.844 1.00 0.00 H new ATOM 598 N CYS A 36 -15.109 -11.402 17.352 1.00 0.00 N ATOM 599 CA CYS A 36 -14.417 -10.445 16.505 1.00 0.00 C ATOM 600 C CYS A 36 -12.911 -10.635 16.696 1.00 0.00 C ATOM 601 O CYS A 36 -12.319 -11.549 16.125 1.00 0.00 O ATOM 602 CB CYS A 36 -14.854 -9.009 16.800 1.00 0.00 C ATOM 603 SG CYS A 36 -14.401 -7.790 15.512 1.00 0.00 S ATOM 0 H CYS A 36 -14.783 -11.430 18.318 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.675 -10.626 15.461 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.936 -8.993 16.931 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.413 -8.697 17.747 1.00 0.00 H new TER 608 CYS A 36