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 Set 1.1: A 16 SER OG : rot 180:sc= 0.00149 USER MOD Set 1.2: A 22 LYS NZ :NH3+ -177:sc= 0.00197 (180deg=0) USER MOD Single : A 1 TRP N :NH3+ 149:sc= 0.693 (180deg=0.104) USER MOD Single : A 6 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4.7!) 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= -1.57! 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 17 HYP OD1 : rot 124:sc= 0.12 USER MOD Single : A 18 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.6!) USER MOD Single : A 19 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 26.052 -4.826 -12.879 1.00 0.00 N ATOM 2 CA TRP A 1 26.613 -5.498 -11.720 1.00 0.00 C ATOM 3 C TRP A 1 27.280 -4.442 -10.837 1.00 0.00 C ATOM 4 O TRP A 1 28.437 -4.591 -10.450 1.00 0.00 O ATOM 5 CB TRP A 1 27.571 -6.614 -12.144 1.00 0.00 C ATOM 6 CG TRP A 1 27.052 -7.476 -13.295 1.00 0.00 C ATOM 7 CD1 TRP A 1 26.205 -8.514 -13.232 1.00 0.00 C ATOM 8 CD2 TRP A 1 27.381 -7.334 -14.693 1.00 0.00 C ATOM 9 NE1 TRP A 1 25.967 -9.048 -14.482 1.00 0.00 N ATOM 10 CE2 TRP A 1 26.704 -8.307 -15.398 1.00 0.00 C ATOM 11 CE3 TRP A 1 28.223 -6.412 -15.339 1.00 0.00 C ATOM 12 CZ2 TRP A 1 26.799 -8.453 -16.787 1.00 0.00 C ATOM 13 CZ3 TRP A 1 28.307 -6.571 -16.728 1.00 0.00 C ATOM 14 CH2 TRP A 1 27.633 -7.546 -17.453 1.00 0.00 C ATOM 0 H1 TRP A 1 26.073 -5.468 -13.697 1.00 0.00 H new ATOM 0 H2 TRP A 1 25.069 -4.551 -12.679 1.00 0.00 H new ATOM 0 H3 TRP A 1 26.612 -3.976 -13.092 1.00 0.00 H new ATOM 0 HA TRP A 1 25.830 -5.990 -11.143 1.00 0.00 H new ATOM 0 HB2 TRP A 1 28.523 -6.170 -12.437 1.00 0.00 H new ATOM 0 HB3 TRP A 1 27.769 -7.255 -11.285 1.00 0.00 H new ATOM 0 HD1 TRP A 1 25.765 -8.885 -12.318 1.00 0.00 H new ATOM 0 HE1 TRP A 1 25.361 -9.841 -14.695 1.00 0.00 H new ATOM 0 HE3 TRP A 1 28.762 -5.642 -14.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 26.258 -9.224 -17.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 28.940 -5.888 -17.274 1.00 0.00 H new ATOM 0 HH2 TRP A 1 27.752 -7.604 -18.525 1.00 0.00 H new ATOM 25 N GLU A 2 26.519 -3.397 -10.544 1.00 0.00 N ATOM 26 CA GLU A 2 27.021 -2.315 -9.713 1.00 0.00 C ATOM 27 C GLU A 2 25.939 -1.251 -9.515 1.00 0.00 C ATOM 28 O GLU A 2 26.080 -0.123 -9.985 1.00 0.00 O ATOM 29 CB GLU A 2 28.287 -1.704 -10.316 1.00 0.00 C ATOM 30 CG GLU A 2 28.026 -1.187 -11.732 1.00 0.00 C ATOM 31 CD GLU A 2 28.894 0.037 -12.038 1.00 0.00 C ATOM 32 OE1 GLU A 2 30.100 -0.029 -11.719 1.00 0.00 O ATOM 33 OE2 GLU A 2 28.329 1.010 -12.584 1.00 0.00 O ATOM 0 H GLU A 2 25.559 -3.277 -10.867 1.00 0.00 H new ATOM 0 HA GLU A 2 27.283 -2.724 -8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.636 -0.887 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.080 -2.451 -10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.235 -1.975 -12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.973 -0.927 -11.840 1.00 0.00 H new ATOM 40 N TRP A 3 24.884 -1.649 -8.820 1.00 0.00 N ATOM 41 CA TRP A 3 23.779 -0.744 -8.555 1.00 0.00 C ATOM 42 C TRP A 3 22.966 -1.319 -7.394 1.00 0.00 C ATOM 43 O TRP A 3 22.816 -2.527 -7.202 1.00 0.00 O ATOM 44 CB TRP A 3 22.942 -0.516 -9.816 1.00 0.00 C ATOM 45 CG TRP A 3 23.682 0.233 -10.926 1.00 0.00 C ATOM 46 CD1 TRP A 3 24.422 -0.283 -11.917 1.00 0.00 C ATOM 47 CD2 TRP A 3 23.721 1.662 -11.121 1.00 0.00 C ATOM 48 NE1 TRP A 3 24.935 0.706 -12.732 1.00 0.00 N ATOM 49 CE2 TRP A 3 24.495 1.926 -12.232 1.00 0.00 C ATOM 50 CE3 TRP A 3 23.124 2.698 -10.381 1.00 0.00 C ATOM 51 CZ2 TRP A 3 24.742 3.221 -12.705 1.00 0.00 C ATOM 52 CZ3 TRP A 3 23.381 3.986 -10.866 1.00 0.00 C ATOM 53 CH2 TRP A 3 24.157 4.269 -11.983 1.00 0.00 C ATOM 0 H TRP A 3 24.771 -2.586 -8.432 1.00 0.00 H new ATOM 0 HA TRP A 3 24.147 0.241 -8.268 1.00 0.00 H new ATOM 0 HB2 TRP A 3 22.612 -1.481 -10.200 1.00 0.00 H new ATOM 0 HB3 TRP A 3 22.046 0.044 -9.549 1.00 0.00 H new ATOM 0 HD1 TRP A 3 24.595 -1.339 -12.060 1.00 0.00 H new ATOM 0 HE1 TRP A 3 25.528 0.567 -13.550 1.00 0.00 H new ATOM 0 HE3 TRP A 3 22.515 2.515 -9.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 25.350 3.402 -13.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 22.945 4.819 -10.334 1.00 0.00 H new ATOM 0 HH2 TRP A 3 24.308 5.292 -12.293 1.00 0.00 H new ATOM 64 N PRO A 4 22.412 -0.401 -6.577 1.00 0.00 N ATOM 65 CA PRO A 4 21.726 -0.783 -5.314 1.00 0.00 C ATOM 66 C PRO A 4 20.428 -1.654 -5.427 1.00 0.00 C ATOM 67 O PRO A 4 19.390 -0.995 -5.461 1.00 0.00 O ATOM 68 CB PRO A 4 21.522 0.604 -4.665 1.00 0.00 C ATOM 69 CG PRO A 4 21.473 1.608 -5.825 1.00 0.00 C ATOM 70 CD PRO A 4 22.447 1.044 -6.860 1.00 0.00 C ATOM 0 HA PRO A 4 22.313 -1.487 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 4 20.600 0.632 -4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 4 22.337 0.838 -3.980 1.00 0.00 H new ATOM 0 HG2 PRO A 4 20.466 1.694 -6.233 1.00 0.00 H new ATOM 0 HG3 PRO A 4 21.772 2.605 -5.500 1.00 0.00 H new ATOM 0 HD2 PRO A 4 22.130 1.266 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 4 23.449 1.457 -6.741 1.00 0.00 H new ATOM 78 N TRP A 5 20.479 -2.977 -5.475 1.00 0.00 N ATOM 79 CA TRP A 5 19.264 -3.769 -5.574 1.00 0.00 C ATOM 80 C TRP A 5 19.329 -4.869 -4.513 1.00 0.00 C ATOM 81 O TRP A 5 18.961 -6.013 -4.776 1.00 0.00 O ATOM 82 CB TRP A 5 19.079 -4.316 -6.991 1.00 0.00 C ATOM 83 CG TRP A 5 20.082 -5.408 -7.372 1.00 0.00 C ATOM 84 CD1 TRP A 5 21.317 -5.256 -7.870 1.00 0.00 C ATOM 85 CD2 TRP A 5 19.882 -6.833 -7.266 1.00 0.00 C ATOM 86 NE1 TRP A 5 21.925 -6.475 -8.092 1.00 0.00 N ATOM 87 CE2 TRP A 5 21.025 -7.464 -7.712 1.00 0.00 C ATOM 88 CE3 TRP A 5 18.774 -7.564 -6.806 1.00 0.00 C ATOM 89 CZ2 TRP A 5 21.170 -8.856 -7.743 1.00 0.00 C ATOM 90 CZ3 TRP A 5 18.933 -8.955 -6.845 1.00 0.00 C ATOM 91 CH2 TRP A 5 20.078 -9.606 -7.291 1.00 0.00 C ATOM 0 H TRP A 5 21.342 -3.520 -5.447 1.00 0.00 H new ATOM 0 HA TRP A 5 18.386 -3.152 -5.383 1.00 0.00 H new ATOM 0 HB2 TRP A 5 18.069 -4.715 -7.087 1.00 0.00 H new ATOM 0 HB3 TRP A 5 19.165 -3.494 -7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 5 21.778 -4.300 -8.072 1.00 0.00 H new ATOM 0 HE1 TRP A 5 22.862 -6.623 -8.466 1.00 0.00 H new ATOM 0 HE3 TRP A 5 17.871 -7.091 -6.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 22.076 -9.326 -8.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 18.109 -9.565 -6.505 1.00 0.00 H new ATOM 0 HH2 TRP A 5 20.124 -10.685 -7.289 1.00 0.00 H new ATOM 102 N ASN A 6 19.802 -4.485 -3.336 1.00 0.00 N ATOM 103 CA ASN A 6 19.920 -5.424 -2.234 1.00 0.00 C ATOM 104 C ASN A 6 18.692 -5.301 -1.331 1.00 0.00 C ATOM 105 O ASN A 6 18.050 -4.253 -1.288 1.00 0.00 O ATOM 106 CB ASN A 6 21.160 -5.127 -1.388 1.00 0.00 C ATOM 107 CG ASN A 6 21.051 -3.756 -0.717 1.00 0.00 C ATOM 108 OD1 ASN A 6 20.038 -3.399 -0.139 1.00 0.00 O ATOM 109 ND2 ASN A 6 22.147 -3.012 -0.825 1.00 0.00 N ATOM 0 H ASN A 6 20.108 -3.536 -3.122 1.00 0.00 H new ATOM 0 HA ASN A 6 20.000 -6.427 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 6 21.280 -5.899 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 6 22.050 -5.158 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 6 22.174 -2.081 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 6 22.961 -3.372 -1.323 1.00 0.00 H new ATOM 116 N ARG A 7 18.401 -6.388 -0.631 1.00 0.00 N ATOM 117 CA ARG A 7 17.260 -6.415 0.269 1.00 0.00 C ATOM 118 C ARG A 7 16.100 -5.609 -0.319 1.00 0.00 C ATOM 119 O ARG A 7 15.961 -4.420 -0.037 1.00 0.00 O ATOM 120 CB ARG A 7 17.626 -5.843 1.641 1.00 0.00 C ATOM 121 CG ARG A 7 17.071 -6.718 2.766 1.00 0.00 C ATOM 122 CD ARG A 7 17.986 -6.684 3.990 1.00 0.00 C ATOM 123 NE ARG A 7 18.622 -8.006 4.184 1.00 0.00 N ATOM 124 CZ ARG A 7 17.973 -9.095 4.619 1.00 0.00 C ATOM 125 NH1 ARG A 7 16.666 -9.025 4.907 1.00 0.00 N ATOM 126 NH2 ARG A 7 18.631 -10.253 4.765 1.00 0.00 N ATOM 0 H ARG A 7 18.935 -7.256 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 7 16.959 -7.456 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 7 18.710 -5.772 1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 7 17.231 -4.831 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.075 -6.372 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 7 16.966 -7.744 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 7 18.751 -5.919 3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.412 -6.414 4.876 1.00 0.00 H new ATOM 0 HE ARG A 7 19.616 -8.094 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.166 -8.143 4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.172 -9.853 5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 7 19.626 -10.306 4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.137 -11.082 5.096 1.00 0.00 H new ATOM 140 N LYS A 8 15.298 -6.288 -1.124 1.00 0.00 N ATOM 141 CA LYS A 8 14.155 -5.650 -1.755 1.00 0.00 C ATOM 142 C LYS A 8 13.105 -5.328 -0.689 1.00 0.00 C ATOM 143 O LYS A 8 13.084 -5.874 0.417 1.00 0.00 O ATOM 144 CB LYS A 8 13.624 -6.513 -2.901 1.00 0.00 C ATOM 145 CG LYS A 8 13.836 -5.823 -4.250 1.00 0.00 C ATOM 146 CD LYS A 8 14.004 -6.851 -5.371 1.00 0.00 C ATOM 147 CE LYS A 8 12.646 -7.370 -5.847 1.00 0.00 C ATOM 148 NZ LYS A 8 12.811 -8.258 -7.019 1.00 0.00 N ATOM 0 H LYS A 8 15.417 -7.275 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 8 14.449 -4.704 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.130 -7.478 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.562 -6.709 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.987 -5.176 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.718 -5.185 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.538 -6.399 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.612 -7.684 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.154 -7.912 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.001 -6.531 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.879 -8.601 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.261 -7.730 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.409 -9.068 -6.759 1.00 0.00 H new HETATM 162 N HYP A 9 12.176 -4.378 -1.056 1.00 0.00 N HETATM 163 CA HYP A 9 11.141 -3.856 -0.142 1.00 0.00 C HETATM 164 C HYP A 9 10.186 -4.905 0.477 1.00 0.00 C HETATM 165 O HYP A 9 10.246 -6.082 0.128 1.00 0.00 O HETATM 166 CB HYP A 9 10.349 -2.854 -1.005 1.00 0.00 C HETATM 167 CG HYP A 9 11.319 -2.476 -2.127 1.00 0.00 C HETATM 168 CD HYP A 9 12.017 -3.813 -2.390 1.00 0.00 C HETATM 169 OD1 HYP A 9 12.251 -1.545 -1.606 1.00 0.00 O HETATM 0 HD23 HYP A 9 12.978 -3.674 -2.885 1.00 0.00 H new HETATM 0 HD22 HYP A 9 11.418 -4.460 -3.032 1.00 0.00 H new HETATM 0 HG HYP A 9 10.861 -2.035 -3.012 1.00 0.00 H new HETATM 0 HD1 HYP A 9 12.885 -1.289 -2.308 1.00 0.00 H new HETATM 0 HB3 HYP A 9 9.438 -3.302 -1.401 1.00 0.00 H new HETATM 0 HB2 HYP A 9 10.049 -1.980 -0.427 1.00 0.00 H new HETATM 0 HA HYP A 9 11.625 -3.427 0.735 1.00 0.00 H new ATOM 177 N THR A 10 9.240 -4.401 1.256 1.00 0.00 N ATOM 178 CA THR A 10 8.170 -5.237 1.771 1.00 0.00 C ATOM 179 C THR A 10 6.925 -4.394 2.058 1.00 0.00 C ATOM 180 O THR A 10 6.826 -3.254 1.607 1.00 0.00 O ATOM 181 CB THR A 10 8.699 -5.977 3.001 1.00 0.00 C ATOM 182 OG1 THR A 10 10.026 -6.346 2.640 1.00 0.00 O ATOM 183 CG2 THR A 10 7.989 -7.314 3.230 1.00 0.00 C ATOM 0 H THR A 10 9.193 -3.423 1.543 1.00 0.00 H new ATOM 0 HA THR A 10 7.859 -5.979 1.036 1.00 0.00 H new ATOM 0 HB THR A 10 8.580 -5.347 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.444 -6.830 3.382 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.402 -7.798 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.923 -7.140 3.376 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.136 -7.957 2.362 1.00 0.00 H new ATOM 191 N LYS A 11 6.006 -4.988 2.805 1.00 0.00 N ATOM 192 CA LYS A 11 4.772 -4.307 3.157 1.00 0.00 C ATOM 193 C LYS A 11 4.287 -3.490 1.957 1.00 0.00 C ATOM 194 O LYS A 11 4.538 -2.288 1.878 1.00 0.00 O ATOM 195 CB LYS A 11 4.961 -3.479 4.429 1.00 0.00 C ATOM 196 CG LYS A 11 3.969 -2.315 4.479 1.00 0.00 C ATOM 197 CD LYS A 11 3.692 -1.893 5.923 1.00 0.00 C ATOM 198 CE LYS A 11 2.647 -2.805 6.570 1.00 0.00 C ATOM 199 NZ LYS A 11 1.336 -2.122 6.642 1.00 0.00 N ATOM 0 H LYS A 11 6.092 -5.934 3.176 1.00 0.00 H new ATOM 0 HA LYS A 11 3.990 -5.030 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.826 -4.115 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.980 -3.095 4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.367 -1.469 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.036 -2.606 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.617 -1.927 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.342 -0.861 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.553 -3.726 5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.972 -3.087 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.639 -2.755 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.427 -1.256 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.020 -1.875 5.682 1.00 0.00 H new ATOM 213 N PHE A 12 3.599 -4.173 1.055 1.00 0.00 N ATOM 214 CA PHE A 12 3.077 -3.526 -0.136 1.00 0.00 C ATOM 215 C PHE A 12 2.427 -2.184 0.210 1.00 0.00 C ATOM 216 O PHE A 12 2.197 -1.831 1.369 1.00 0.00 O ATOM 217 CB PHE A 12 2.013 -4.457 -0.722 1.00 0.00 C ATOM 218 CG PHE A 12 1.187 -5.200 0.332 1.00 0.00 C ATOM 219 CD1 PHE A 12 0.427 -4.500 1.216 1.00 0.00 C ATOM 220 CD2 PHE A 12 1.214 -6.558 0.383 1.00 0.00 C ATOM 221 CE1 PHE A 12 -0.339 -5.189 2.194 1.00 0.00 C ATOM 222 CE2 PHE A 12 0.448 -7.247 1.361 1.00 0.00 C ATOM 223 CZ PHE A 12 -0.312 -6.547 2.246 1.00 0.00 C ATOM 0 H PHE A 12 3.391 -5.169 1.125 1.00 0.00 H new ATOM 0 HA PHE A 12 3.886 -3.338 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.341 -3.873 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.500 -5.187 -1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.406 -3.421 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.818 -7.113 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.943 -4.634 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.469 -8.326 1.402 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.894 -7.070 2.990 1.00 0.00 H new HETATM 233 N HYP A 13 2.115 -1.393 -0.873 1.00 0.00 N HETATM 234 CA HYP A 13 1.572 -0.025 -0.754 1.00 0.00 C HETATM 235 C HYP A 13 0.210 0.109 -0.033 1.00 0.00 C HETATM 236 O HYP A 13 -0.632 -0.782 -0.126 1.00 0.00 O HETATM 237 CB HYP A 13 1.458 0.463 -2.211 1.00 0.00 C HETATM 238 CG HYP A 13 2.443 -0.418 -2.982 1.00 0.00 C HETATM 239 CD HYP A 13 2.266 -1.765 -2.276 1.00 0.00 C HETATM 240 OD1 HYP A 13 3.750 0.077 -2.744 1.00 0.00 O HETATM 0 HD23 HYP A 13 3.127 -2.415 -2.429 1.00 0.00 H new HETATM 0 HD22 HYP A 13 1.392 -2.301 -2.646 1.00 0.00 H new HETATM 0 HG HYP A 13 2.288 -0.461 -4.060 1.00 0.00 H new HETATM 0 HD1 HYP A 13 4.401 -0.473 -3.227 1.00 0.00 H new HETATM 0 HB3 HYP A 13 0.442 0.350 -2.590 1.00 0.00 H new HETATM 0 HB2 HYP A 13 1.716 1.519 -2.298 1.00 0.00 H new HETATM 0 HA HYP A 13 2.235 0.566 -0.121 1.00 0.00 H new ATOM 248 N ILE A 14 -0.006 1.290 0.528 1.00 0.00 N ATOM 249 CA ILE A 14 -1.302 1.624 1.093 1.00 0.00 C ATOM 250 C ILE A 14 -1.633 0.640 2.217 1.00 0.00 C ATOM 251 O ILE A 14 -1.495 -0.580 2.101 1.00 0.00 O ATOM 252 CB ILE A 14 -2.366 1.683 -0.005 1.00 0.00 C ATOM 253 CG1 ILE A 14 -2.644 3.129 -0.422 1.00 0.00 C ATOM 254 CG2 ILE A 14 -3.641 0.957 0.427 1.00 0.00 C ATOM 255 CD1 ILE A 14 -3.772 3.734 0.415 1.00 0.00 C ATOM 0 H ILE A 14 0.695 2.027 0.603 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.279 2.619 1.537 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.980 1.163 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.739 3.725 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.912 3.161 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.381 1.014 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.412 -0.088 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.040 1.427 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.949 4.762 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.682 3.150 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.490 3.722 1.468 1.00 0.00 H new HETATM 267 N HYP A 15 -2.100 1.218 3.378 1.00 0.00 N HETATM 268 CA HYP A 15 -2.385 0.456 4.609 1.00 0.00 C HETATM 269 C HYP A 15 -3.145 -0.880 4.426 1.00 0.00 C HETATM 270 O HYP A 15 -3.580 -1.201 3.321 1.00 0.00 O HETATM 271 CB HYP A 15 -3.214 1.430 5.471 1.00 0.00 C HETATM 272 CG HYP A 15 -2.859 2.813 4.921 1.00 0.00 C HETATM 273 CD HYP A 15 -2.744 2.526 3.421 1.00 0.00 C HETATM 274 OD1 HYP A 15 -1.589 3.176 5.436 1.00 0.00 O HETATM 0 HD23 HYP A 15 -2.150 3.284 2.911 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -3.721 2.509 2.939 1.00 0.00 H new HETATM 0 HG HYP A 15 -3.563 3.609 5.166 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -1.338 4.060 5.095 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -4.282 1.229 5.384 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -2.958 1.344 6.527 1.00 0.00 H new HETATM 0 HA HYP A 15 -1.443 0.135 5.053 1.00 0.00 H new ATOM 282 N SER A 16 -3.407 -1.527 5.553 1.00 0.00 N ATOM 283 CA SER A 16 -4.257 -2.705 5.559 1.00 0.00 C ATOM 284 C SER A 16 -5.423 -2.513 4.586 1.00 0.00 C ATOM 285 O SER A 16 -6.468 -1.939 4.899 1.00 0.00 O ATOM 286 CB SER A 16 -4.782 -2.998 6.965 1.00 0.00 C ATOM 287 OG SER A 16 -4.163 -4.145 7.539 1.00 0.00 O ATOM 0 H SER A 16 -3.045 -1.257 6.468 1.00 0.00 H new ATOM 0 HA SER A 16 -3.661 -3.559 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.606 -2.133 7.605 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.861 -3.151 6.924 1.00 0.00 H new ATOM 0 HG SER A 16 -4.525 -4.297 8.437 1.00 0.00 H new HETATM 293 N HYP A 17 -5.220 -3.033 3.326 1.00 0.00 N HETATM 294 CA HYP A 17 -6.178 -2.870 2.214 1.00 0.00 C HETATM 295 C HYP A 17 -7.583 -3.482 2.429 1.00 0.00 C HETATM 296 O HYP A 17 -7.705 -4.591 2.948 1.00 0.00 O HETATM 297 CB HYP A 17 -5.479 -3.540 1.015 1.00 0.00 C HETATM 298 CG HYP A 17 -3.995 -3.522 1.386 1.00 0.00 C HETATM 299 CD HYP A 17 -4.053 -3.793 2.893 1.00 0.00 C HETATM 300 OD1 HYP A 17 -3.501 -2.212 1.155 1.00 0.00 O HETATM 0 HD23 HYP A 17 -3.146 -3.459 3.397 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -4.163 -4.856 3.107 1.00 0.00 H new HETATM 0 HG HYP A 17 -3.366 -4.222 0.835 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -3.109 -1.860 1.981 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -5.839 -4.558 0.862 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -5.665 -2.994 0.090 1.00 0.00 H new HETATM 0 HA HYP A 17 -6.397 -1.810 2.086 1.00 0.00 H new ATOM 308 N ASN A 18 -8.575 -2.800 1.876 1.00 0.00 N ATOM 309 CA ASN A 18 -9.925 -3.335 1.845 1.00 0.00 C ATOM 310 C ASN A 18 -9.971 -4.539 0.903 1.00 0.00 C ATOM 311 O ASN A 18 -10.429 -5.634 1.237 1.00 0.00 O ATOM 312 CB ASN A 18 -10.919 -2.291 1.330 1.00 0.00 C ATOM 313 CG ASN A 18 -12.184 -2.267 2.189 1.00 0.00 C ATOM 314 OD1 ASN A 18 -12.159 -2.517 3.383 1.00 0.00 O ATOM 315 ND2 ASN A 18 -13.289 -1.953 1.518 1.00 0.00 N ATOM 0 H ASN A 18 -8.470 -1.881 1.446 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.198 -3.622 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.453 -1.306 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.182 -2.513 0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.185 -1.910 2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.240 -1.755 0.519 1.00 0.00 H new HETATM 322 N HYP A 19 -9.461 -4.311 -0.357 1.00 0.00 N HETATM 323 CA HYP A 19 -9.499 -5.311 -1.443 1.00 0.00 C HETATM 324 C HYP A 19 -8.775 -6.650 -1.165 1.00 0.00 C HETATM 325 O HYP A 19 -7.551 -6.723 -1.246 1.00 0.00 O HETATM 326 CB HYP A 19 -8.849 -4.588 -2.640 1.00 0.00 C HETATM 327 CG HYP A 19 -9.007 -3.101 -2.314 1.00 0.00 C HETATM 328 CD HYP A 19 -8.788 -3.095 -0.799 1.00 0.00 C HETATM 329 OD1 HYP A 19 -10.345 -2.731 -2.604 1.00 0.00 O HETATM 0 HD23 HYP A 19 -9.216 -2.207 -0.334 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -7.728 -3.107 -0.546 1.00 0.00 H new HETATM 0 HG HYP A 19 -8.344 -2.429 -2.858 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -10.473 -1.781 -2.401 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -7.800 -4.862 -2.748 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -9.344 -4.845 -3.577 1.00 0.00 H new HETATM 0 HA HYP A 19 -10.530 -5.627 -1.599 1.00 0.00 H new ATOM 337 N ARG A 20 -9.580 -7.691 -1.003 1.00 0.00 N ATOM 338 CA ARG A 20 -9.048 -9.039 -0.904 1.00 0.00 C ATOM 339 C ARG A 20 -7.753 -9.040 -0.092 1.00 0.00 C ATOM 340 O ARG A 20 -6.734 -9.564 -0.540 1.00 0.00 O ATOM 341 CB ARG A 20 -8.773 -9.625 -2.291 1.00 0.00 C ATOM 342 CG ARG A 20 -8.126 -11.008 -2.182 1.00 0.00 C ATOM 343 CD ARG A 20 -8.851 -12.023 -3.069 1.00 0.00 C ATOM 344 NE ARG A 20 -7.867 -12.846 -3.806 1.00 0.00 N ATOM 345 CZ ARG A 20 -6.968 -13.647 -3.217 1.00 0.00 C ATOM 346 NH1 ARG A 20 -6.923 -13.738 -1.881 1.00 0.00 N ATOM 347 NH2 ARG A 20 -6.113 -14.358 -3.965 1.00 0.00 N ATOM 0 H ARG A 20 -10.596 -7.627 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.795 -9.655 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.706 -9.699 -2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.118 -8.956 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.078 -10.947 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.149 -11.344 -1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.487 -12.663 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.502 -11.504 -3.772 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.873 -12.801 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.573 -13.197 -1.311 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.238 -14.348 -1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.146 -14.289 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.429 -14.968 -3.517 1.00 0.00 H new ATOM 361 N ASP A 21 -7.833 -8.449 1.092 1.00 0.00 N ATOM 362 CA ASP A 21 -6.679 -8.375 1.972 1.00 0.00 C ATOM 363 C ASP A 21 -7.153 -8.355 3.426 1.00 0.00 C ATOM 364 O ASP A 21 -7.560 -7.312 3.936 1.00 0.00 O ATOM 365 CB ASP A 21 -5.873 -7.099 1.719 1.00 0.00 C ATOM 366 CG ASP A 21 -5.032 -7.108 0.441 1.00 0.00 C ATOM 367 OD1 ASP A 21 -4.107 -7.945 0.378 1.00 0.00 O ATOM 368 OD2 ASP A 21 -5.333 -6.277 -0.442 1.00 0.00 O ATOM 0 H ASP A 21 -8.680 -8.017 1.462 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.049 -9.243 1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.561 -6.255 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.213 -6.930 2.569 1.00 0.00 H new ATOM 373 N LYS A 22 -7.086 -9.520 4.053 1.00 0.00 N ATOM 374 CA LYS A 22 -7.502 -9.648 5.439 1.00 0.00 C ATOM 375 C LYS A 22 -9.019 -9.465 5.530 1.00 0.00 C ATOM 376 O LYS A 22 -9.571 -9.369 6.626 1.00 0.00 O ATOM 377 CB LYS A 22 -6.711 -8.686 6.329 1.00 0.00 C ATOM 378 CG LYS A 22 -6.577 -9.239 7.750 1.00 0.00 C ATOM 379 CD LYS A 22 -6.114 -8.150 8.720 1.00 0.00 C ATOM 380 CE LYS A 22 -4.617 -8.271 9.006 1.00 0.00 C ATOM 381 NZ LYS A 22 -4.052 -6.954 9.378 1.00 0.00 N ATOM 0 H LYS A 22 -6.750 -10.384 3.627 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.277 -10.647 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.721 -8.522 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.210 -7.717 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.535 -9.641 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.865 -10.064 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.329 -7.168 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.673 -8.227 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.451 -8.985 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.103 -8.659 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.026 -7.044 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.238 -6.269 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.495 -6.622 10.259 1.00 0.00 H new ATOM 395 N TRP A 23 -9.648 -9.421 4.366 1.00 0.00 N ATOM 396 CA TRP A 23 -11.090 -9.250 4.300 1.00 0.00 C ATOM 397 C TRP A 23 -11.739 -10.417 5.047 1.00 0.00 C ATOM 398 O TRP A 23 -11.044 -11.262 5.608 1.00 0.00 O ATOM 399 CB TRP A 23 -11.562 -9.132 2.850 1.00 0.00 C ATOM 400 CG TRP A 23 -12.484 -10.269 2.401 1.00 0.00 C ATOM 401 CD1 TRP A 23 -12.185 -11.568 2.267 1.00 0.00 C ATOM 402 CD2 TRP A 23 -13.873 -10.153 2.029 1.00 0.00 C ATOM 403 NE1 TRP A 23 -13.277 -12.296 1.839 1.00 0.00 N ATOM 404 CE2 TRP A 23 -14.336 -11.407 1.690 1.00 0.00 C ATOM 405 CE3 TRP A 23 -14.711 -9.025 1.983 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -15.651 -11.655 1.279 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -16.023 -9.288 1.570 1.00 0.00 C ATOM 408 CH2 TRP A 23 -16.504 -10.546 1.223 1.00 0.00 C ATOM 0 H TRP A 23 -9.186 -9.501 3.460 1.00 0.00 H new ATOM 0 HA TRP A 23 -11.391 -8.319 4.780 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.084 -8.183 2.725 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -10.690 -9.105 2.196 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.212 -11.992 2.468 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.302 -13.301 1.664 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.370 -8.034 2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -15.989 -12.647 1.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -16.709 -8.456 1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.531 -10.667 0.912 1.00 0.00 H new ATOM 419 N CYS A 24 -13.063 -10.426 5.029 1.00 0.00 N ATOM 420 CA CYS A 24 -13.813 -11.475 5.699 1.00 0.00 C ATOM 421 C CYS A 24 -13.830 -11.173 7.199 1.00 0.00 C ATOM 422 O CYS A 24 -12.779 -11.122 7.836 1.00 0.00 O ATOM 423 CB CYS A 24 -13.237 -12.860 5.401 1.00 0.00 C ATOM 424 SG CYS A 24 -12.182 -13.553 6.726 1.00 0.00 S ATOM 0 H CYS A 24 -13.636 -9.724 4.561 1.00 0.00 H new ATOM 0 HA CYS A 24 -14.836 -11.491 5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.061 -13.548 5.215 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -12.653 -12.805 4.482 1.00 0.00 H new ATOM 429 N ARG A 25 -15.033 -10.980 7.718 1.00 0.00 N ATOM 430 CA ARG A 25 -15.199 -10.684 9.131 1.00 0.00 C ATOM 431 C ARG A 25 -15.942 -11.826 9.829 1.00 0.00 C ATOM 432 O ARG A 25 -15.923 -11.927 11.054 1.00 0.00 O ATOM 433 CB ARG A 25 -15.974 -9.381 9.334 1.00 0.00 C ATOM 434 CG ARG A 25 -15.425 -8.596 10.527 1.00 0.00 C ATOM 435 CD ARG A 25 -16.442 -7.565 11.020 1.00 0.00 C ATOM 436 NE ARG A 25 -17.147 -8.081 12.215 1.00 0.00 N ATOM 437 CZ ARG A 25 -18.336 -7.631 12.639 1.00 0.00 C ATOM 438 NH1 ARG A 25 -18.961 -6.655 11.967 1.00 0.00 N ATOM 439 NH2 ARG A 25 -18.900 -8.159 13.733 1.00 0.00 N ATOM 0 H ARG A 25 -15.902 -11.023 7.186 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.205 -10.573 9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.910 -8.771 8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -17.029 -9.603 9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.177 -9.283 11.336 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -14.501 -8.093 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -15.937 -6.630 11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.161 -7.344 10.231 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.700 -8.826 12.749 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.532 -6.255 11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -19.866 -6.312 12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.425 -8.903 14.243 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -19.805 -7.817 14.056 1.00 0.00 H new ATOM 453 N LEU A 26 -16.580 -12.656 9.017 1.00 0.00 N ATOM 454 CA LEU A 26 -17.328 -13.787 9.541 1.00 0.00 C ATOM 455 C LEU A 26 -17.051 -15.019 8.678 1.00 0.00 C ATOM 456 O LEU A 26 -16.186 -14.989 7.804 1.00 0.00 O ATOM 457 CB LEU A 26 -18.814 -13.438 9.657 1.00 0.00 C ATOM 458 CG LEU A 26 -19.348 -12.431 8.637 1.00 0.00 C ATOM 459 CD1 LEU A 26 -20.517 -13.020 7.846 1.00 0.00 C ATOM 460 CD2 LEU A 26 -19.721 -11.110 9.313 1.00 0.00 C ATOM 0 H LEU A 26 -16.595 -12.568 8.001 1.00 0.00 H new ATOM 0 HA LEU A 26 -17.000 -14.026 10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.391 -14.358 9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.997 -13.044 10.657 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.553 -12.214 7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.878 -12.284 7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.184 -13.912 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.323 -13.285 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -20.098 -10.412 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.492 -11.290 10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.840 -10.686 9.794 1.00 0.00 H new ATOM 472 N ASN A 27 -17.802 -16.075 8.954 1.00 0.00 N ATOM 473 CA ASN A 27 -17.648 -17.317 8.214 1.00 0.00 C ATOM 474 C ASN A 27 -18.069 -17.094 6.760 1.00 0.00 C ATOM 475 O ASN A 27 -19.217 -16.746 6.488 1.00 0.00 O ATOM 476 CB ASN A 27 -18.534 -18.419 8.799 1.00 0.00 C ATOM 477 CG ASN A 27 -18.575 -18.339 10.326 1.00 0.00 C ATOM 478 OD1 ASN A 27 -19.562 -17.947 10.927 1.00 0.00 O ATOM 479 ND2 ASN A 27 -17.450 -18.729 10.918 1.00 0.00 N ATOM 0 H ASN A 27 -18.519 -16.097 9.679 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.603 -17.621 8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.544 -18.328 8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.157 -19.395 8.493 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -17.376 -18.711 11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.661 -19.046 10.355 1.00 0.00 H new ATOM 486 N LEU A 28 -17.115 -17.304 5.863 1.00 0.00 N ATOM 487 CA LEU A 28 -17.372 -17.130 4.444 1.00 0.00 C ATOM 488 C LEU A 28 -18.155 -18.335 3.920 1.00 0.00 C ATOM 489 O LEU A 28 -18.810 -19.036 4.690 1.00 0.00 O ATOM 490 CB LEU A 28 -16.066 -16.870 3.691 1.00 0.00 C ATOM 491 CG LEU A 28 -16.120 -15.794 2.606 1.00 0.00 C ATOM 492 CD1 LEU A 28 -16.137 -14.395 3.221 1.00 0.00 C ATOM 493 CD2 LEU A 28 -14.975 -15.966 1.605 1.00 0.00 C ATOM 0 H LEU A 28 -16.164 -17.593 6.092 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.991 -16.249 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -15.302 -16.589 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.742 -17.804 3.232 1.00 0.00 H new ATOM 0 HG LEU A 28 -17.052 -15.914 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.176 -13.649 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -17.013 -14.289 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.235 -14.247 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.037 -15.188 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.021 -15.888 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.050 -16.944 1.130 1.00 0.00 H new ATOM 505 N GLY A 29 -18.060 -18.542 2.615 1.00 0.00 N ATOM 506 CA GLY A 29 -18.751 -19.650 1.979 1.00 0.00 C ATOM 507 C GLY A 29 -17.919 -20.229 0.832 1.00 0.00 C ATOM 508 O GLY A 29 -17.028 -21.064 0.993 1.00 0.00 O ATOM 0 H GLY A 29 -17.514 -17.960 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.953 -20.428 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.715 -19.312 1.599 1.00 0.00 H new ATOM 512 N PRO A 30 -18.232 -19.757 -0.391 1.00 0.00 N ATOM 513 CA PRO A 30 -17.636 -20.325 -1.629 1.00 0.00 C ATOM 514 C PRO A 30 -16.117 -20.710 -1.594 1.00 0.00 C ATOM 515 O PRO A 30 -15.387 -19.897 -2.160 1.00 0.00 O ATOM 516 CB PRO A 30 -18.006 -19.232 -2.656 1.00 0.00 C ATOM 517 CG PRO A 30 -18.142 -17.930 -1.853 1.00 0.00 C ATOM 518 CD PRO A 30 -18.716 -18.370 -0.506 1.00 0.00 C ATOM 0 HA PRO A 30 -18.023 -21.319 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.237 -19.140 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -18.938 -19.475 -3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.178 -17.436 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -18.802 -17.222 -2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -18.356 -17.746 0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.805 -18.318 -0.492 1.00 0.00 H new ATOM 526 N ALA A 31 -15.693 -21.818 -1.006 1.00 0.00 N ATOM 527 CA ALA A 31 -14.281 -22.163 -0.989 1.00 0.00 C ATOM 528 C ALA A 31 -13.662 -21.691 0.328 1.00 0.00 C ATOM 529 O ALA A 31 -12.469 -21.393 0.386 1.00 0.00 O ATOM 530 CB ALA A 31 -13.592 -21.551 -2.210 1.00 0.00 C ATOM 0 H ALA A 31 -16.302 -22.489 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.148 -23.243 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.533 -21.809 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.050 -21.940 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.701 -20.467 -2.184 1.00 0.00 H new ATOM 536 N TRP A 32 -14.499 -21.639 1.353 1.00 0.00 N ATOM 537 CA TRP A 32 -14.047 -21.208 2.666 1.00 0.00 C ATOM 538 C TRP A 32 -14.709 -22.108 3.712 1.00 0.00 C ATOM 539 O TRP A 32 -15.078 -23.243 3.415 1.00 0.00 O ATOM 540 CB TRP A 32 -14.339 -19.722 2.886 1.00 0.00 C ATOM 541 CG TRP A 32 -13.118 -18.905 3.310 1.00 0.00 C ATOM 542 CD1 TRP A 32 -12.488 -18.917 4.494 1.00 0.00 C ATOM 543 CD2 TRP A 32 -12.399 -17.948 2.502 1.00 0.00 C ATOM 544 NE1 TRP A 32 -11.420 -18.042 4.507 1.00 0.00 N ATOM 545 CE2 TRP A 32 -11.365 -17.434 3.258 1.00 0.00 C ATOM 546 CE3 TRP A 32 -12.616 -17.532 1.177 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -10.466 -16.476 2.775 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -11.710 -16.573 0.710 1.00 0.00 C ATOM 549 CH2 TRP A 32 -10.663 -16.046 1.457 1.00 0.00 C ATOM 0 H TRP A 32 -15.487 -21.888 1.302 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.965 -21.308 2.754 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -14.743 -19.301 1.965 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -15.112 -19.623 3.648 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.779 -19.533 5.332 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.788 -17.873 5.289 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -13.418 -17.921 0.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -9.664 -16.089 3.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.833 -16.217 -0.302 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.004 -15.308 1.023 1.00 0.00 H new ATOM 560 N GLY A 33 -14.840 -21.567 4.914 1.00 0.00 N ATOM 561 CA GLY A 33 -15.450 -22.307 6.005 1.00 0.00 C ATOM 562 C GLY A 33 -14.498 -22.412 7.197 1.00 0.00 C ATOM 563 O GLY A 33 -13.335 -22.781 7.037 1.00 0.00 O ATOM 0 H GLY A 33 -14.534 -20.625 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.371 -21.813 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.723 -23.306 5.664 1.00 0.00 H new ATOM 567 N GLY A 34 -15.025 -22.081 8.367 1.00 0.00 N ATOM 568 CA GLY A 34 -14.236 -22.133 9.585 1.00 0.00 C ATOM 569 C GLY A 34 -13.159 -21.047 9.589 1.00 0.00 C ATOM 570 O GLY A 34 -13.130 -20.198 10.479 1.00 0.00 O ATOM 0 H GLY A 34 -15.990 -21.776 8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.887 -22.007 10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.769 -23.113 9.678 1.00 0.00 H new ATOM 574 N ARG A 35 -12.299 -21.107 8.582 1.00 0.00 N ATOM 575 CA ARG A 35 -11.222 -20.139 8.458 1.00 0.00 C ATOM 576 C ARG A 35 -11.785 -18.765 8.090 1.00 0.00 C ATOM 577 O ARG A 35 -12.998 -18.600 7.963 1.00 0.00 O ATOM 578 CB ARG A 35 -10.213 -20.572 7.392 1.00 0.00 C ATOM 579 CG ARG A 35 -9.519 -21.875 7.792 1.00 0.00 C ATOM 580 CD ARG A 35 -8.014 -21.662 7.968 1.00 0.00 C ATOM 581 NE ARG A 35 -7.291 -22.140 6.768 1.00 0.00 N ATOM 582 CZ ARG A 35 -5.993 -22.473 6.754 1.00 0.00 C ATOM 583 NH1 ARG A 35 -5.267 -22.381 7.877 1.00 0.00 N ATOM 584 NH2 ARG A 35 -5.422 -22.896 5.619 1.00 0.00 N ATOM 0 H ARG A 35 -12.326 -21.811 7.844 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.714 -20.082 9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.722 -20.705 6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.469 -19.788 7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.948 -22.250 8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.696 -22.634 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.805 -20.605 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.664 -22.197 8.851 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.814 -22.221 5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.703 -22.058 8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.279 -22.634 7.868 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.975 -22.965 4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.434 -23.149 5.609 1.00 0.00 H new ATOM 598 N CYS A 36 -10.877 -17.813 7.929 1.00 0.00 N ATOM 599 CA CYS A 36 -11.268 -16.458 7.578 1.00 0.00 C ATOM 600 C CYS A 36 -12.378 -16.535 6.527 1.00 0.00 C ATOM 601 O CYS A 36 -13.496 -16.080 6.764 1.00 0.00 O ATOM 602 CB CYS A 36 -10.075 -15.634 7.089 1.00 0.00 C ATOM 603 SG CYS A 36 -10.501 -14.272 5.945 1.00 0.00 S ATOM 0 H CYS A 36 -9.872 -17.953 8.035 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.642 -15.944 8.463 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.561 -15.215 7.954 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.370 -16.301 6.592 1.00 0.00 H new TER 608 CYS A 36