USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) 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 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= 0.456 X(o=0.46,f=-0.0019) 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= -0.371 K(o=-0.37,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 17.448 -5.675 -16.778 1.00 0.00 N ATOM 2 CA TRP A 1 18.181 -6.663 -16.007 1.00 0.00 C ATOM 3 C TRP A 1 18.166 -7.979 -16.788 1.00 0.00 C ATOM 4 O TRP A 1 17.614 -8.976 -16.323 1.00 0.00 O ATOM 5 CB TRP A 1 17.601 -6.799 -14.597 1.00 0.00 C ATOM 6 CG TRP A 1 18.039 -5.694 -13.635 1.00 0.00 C ATOM 7 CD1 TRP A 1 19.287 -5.317 -13.323 1.00 0.00 C ATOM 8 CD2 TRP A 1 17.175 -4.830 -12.867 1.00 0.00 C ATOM 9 NE1 TRP A 1 19.290 -4.279 -12.414 1.00 0.00 N ATOM 10 CE2 TRP A 1 17.964 -3.973 -12.128 1.00 0.00 C ATOM 11 CE3 TRP A 1 15.771 -4.774 -12.799 1.00 0.00 C ATOM 12 CZ2 TRP A 1 17.443 -2.999 -11.269 1.00 0.00 C ATOM 13 CZ3 TRP A 1 15.265 -3.796 -11.935 1.00 0.00 C ATOM 14 CH2 TRP A 1 16.048 -2.926 -11.185 1.00 0.00 C ATOM 0 H1 TRP A 1 17.444 -4.769 -16.267 1.00 0.00 H new ATOM 0 H2 TRP A 1 17.905 -5.548 -17.704 1.00 0.00 H new ATOM 0 H3 TRP A 1 16.469 -5.999 -16.916 1.00 0.00 H new ATOM 0 HA TRP A 1 19.216 -6.352 -15.868 1.00 0.00 H new ATOM 0 HB2 TRP A 1 16.513 -6.800 -14.661 1.00 0.00 H new ATOM 0 HB3 TRP A 1 17.897 -7.764 -14.185 1.00 0.00 H new ATOM 0 HD1 TRP A 1 20.178 -5.769 -13.732 1.00 0.00 H new ATOM 0 HE1 TRP A 1 20.113 -3.821 -12.024 1.00 0.00 H new ATOM 0 HE3 TRP A 1 15.134 -5.434 -13.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 18.083 -2.339 -10.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 14.192 -3.711 -11.845 1.00 0.00 H new ATOM 0 HH2 TRP A 1 15.581 -2.196 -10.540 1.00 0.00 H new ATOM 25 N GLU A 2 18.779 -7.940 -17.962 1.00 0.00 N ATOM 26 CA GLU A 2 18.842 -9.116 -18.813 1.00 0.00 C ATOM 27 C GLU A 2 17.511 -9.869 -18.777 1.00 0.00 C ATOM 28 O GLU A 2 17.485 -11.080 -18.567 1.00 0.00 O ATOM 29 CB GLU A 2 20.000 -10.028 -18.400 1.00 0.00 C ATOM 30 CG GLU A 2 19.885 -10.428 -16.928 1.00 0.00 C ATOM 31 CD GLU A 2 20.974 -11.434 -16.546 1.00 0.00 C ATOM 32 OE1 GLU A 2 22.112 -11.247 -17.027 1.00 0.00 O ATOM 33 OE2 GLU A 2 20.642 -12.366 -15.783 1.00 0.00 O ATOM 0 H GLU A 2 19.237 -7.112 -18.344 1.00 0.00 H new ATOM 0 HA GLU A 2 19.025 -8.791 -19.837 1.00 0.00 H new ATOM 0 HB2 GLU A 2 20.004 -10.922 -19.024 1.00 0.00 H new ATOM 0 HB3 GLU A 2 20.948 -9.517 -18.569 1.00 0.00 H new ATOM 0 HG2 GLU A 2 19.967 -9.542 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.903 -10.862 -16.741 1.00 0.00 H new ATOM 40 N TRP A 3 16.439 -9.120 -18.988 1.00 0.00 N ATOM 41 CA TRP A 3 15.107 -9.702 -18.983 1.00 0.00 C ATOM 42 C TRP A 3 14.818 -10.208 -17.569 1.00 0.00 C ATOM 43 O TRP A 3 15.687 -10.640 -16.810 1.00 0.00 O ATOM 44 CB TRP A 3 14.983 -10.795 -20.047 1.00 0.00 C ATOM 45 CG TRP A 3 15.012 -10.272 -21.484 1.00 0.00 C ATOM 46 CD1 TRP A 3 16.084 -9.977 -22.232 1.00 0.00 C ATOM 47 CD2 TRP A 3 13.871 -9.993 -22.321 1.00 0.00 C ATOM 48 NE1 TRP A 3 15.717 -9.528 -23.485 1.00 0.00 N ATOM 49 CE2 TRP A 3 14.329 -9.539 -23.540 1.00 0.00 C ATOM 50 CE3 TRP A 3 12.495 -10.120 -22.056 1.00 0.00 C ATOM 51 CZ2 TRP A 3 13.479 -9.176 -24.592 1.00 0.00 C ATOM 52 CZ3 TRP A 3 11.659 -9.753 -23.117 1.00 0.00 C ATOM 53 CH2 TRP A 3 12.104 -9.294 -24.351 1.00 0.00 C ATOM 0 H TRP A 3 16.465 -8.116 -19.163 1.00 0.00 H new ATOM 0 HA TRP A 3 14.358 -8.955 -19.245 1.00 0.00 H new ATOM 0 HB2 TRP A 3 15.795 -11.510 -19.915 1.00 0.00 H new ATOM 0 HB3 TRP A 3 14.052 -11.338 -19.888 1.00 0.00 H new ATOM 0 HD1 TRP A 3 17.106 -10.078 -21.897 1.00 0.00 H new ATOM 0 HE1 TRP A 3 16.349 -9.241 -24.233 1.00 0.00 H new ATOM 0 HE3 TRP A 3 12.114 -10.473 -21.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 13.863 -8.824 -25.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 10.593 -9.832 -22.966 1.00 0.00 H new ATOM 0 HH2 TRP A 3 11.393 -9.030 -25.120 1.00 0.00 H new ATOM 64 N PRO A 4 13.523 -10.152 -17.197 1.00 0.00 N ATOM 65 CA PRO A 4 13.089 -10.451 -15.808 1.00 0.00 C ATOM 66 C PRO A 4 13.299 -11.912 -15.281 1.00 0.00 C ATOM 67 O PRO A 4 12.321 -12.642 -15.440 1.00 0.00 O ATOM 68 CB PRO A 4 11.616 -9.985 -15.858 1.00 0.00 C ATOM 69 CG PRO A 4 11.185 -10.110 -17.324 1.00 0.00 C ATOM 70 CD PRO A 4 12.444 -9.769 -18.125 1.00 0.00 C ATOM 0 HA PRO A 4 13.708 -9.946 -15.066 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.989 -10.601 -15.213 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.520 -8.957 -15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.832 -11.116 -17.549 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.369 -9.426 -17.557 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.495 -10.328 -19.060 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.487 -8.711 -18.383 1.00 0.00 H new ATOM 78 N TRP A 5 14.435 -12.294 -14.717 1.00 0.00 N ATOM 79 CA TRP A 5 14.610 -13.651 -14.229 1.00 0.00 C ATOM 80 C TRP A 5 14.497 -13.623 -12.704 1.00 0.00 C ATOM 81 O TRP A 5 13.428 -13.346 -12.162 1.00 0.00 O ATOM 82 CB TRP A 5 15.932 -14.244 -14.719 1.00 0.00 C ATOM 83 CG TRP A 5 15.994 -14.461 -16.233 1.00 0.00 C ATOM 84 CD1 TRP A 5 16.550 -13.667 -17.158 1.00 0.00 C ATOM 85 CD2 TRP A 5 15.454 -15.583 -16.964 1.00 0.00 C ATOM 86 NE1 TRP A 5 16.409 -14.192 -18.426 1.00 0.00 N ATOM 87 CE2 TRP A 5 15.721 -15.394 -18.304 1.00 0.00 C ATOM 88 CE3 TRP A 5 14.762 -16.718 -16.507 1.00 0.00 C ATOM 89 CZ2 TRP A 5 15.334 -16.301 -19.298 1.00 0.00 C ATOM 90 CZ3 TRP A 5 14.382 -17.615 -17.513 1.00 0.00 C ATOM 91 CH2 TRP A 5 14.643 -17.440 -18.867 1.00 0.00 C ATOM 0 H TRP A 5 15.244 -11.687 -14.587 1.00 0.00 H new ATOM 0 HA TRP A 5 13.833 -14.306 -14.624 1.00 0.00 H new ATOM 0 HB2 TRP A 5 16.747 -13.583 -14.423 1.00 0.00 H new ATOM 0 HB3 TRP A 5 16.098 -15.198 -14.218 1.00 0.00 H new ATOM 0 HD1 TRP A 5 17.046 -12.733 -16.939 1.00 0.00 H new ATOM 0 HE1 TRP A 5 16.747 -13.775 -19.293 1.00 0.00 H new ATOM 0 HE3 TRP A 5 14.541 -16.885 -15.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 15.557 -16.131 -20.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 13.848 -18.506 -17.216 1.00 0.00 H new ATOM 0 HH2 TRP A 5 14.314 -18.179 -19.583 1.00 0.00 H new ATOM 102 N ASN A 6 15.615 -13.913 -12.054 1.00 0.00 N ATOM 103 CA ASN A 6 15.655 -13.924 -10.601 1.00 0.00 C ATOM 104 C ASN A 6 16.029 -12.530 -10.095 1.00 0.00 C ATOM 105 O ASN A 6 16.902 -12.390 -9.239 1.00 0.00 O ATOM 106 CB ASN A 6 16.704 -14.912 -10.087 1.00 0.00 C ATOM 107 CG ASN A 6 16.231 -16.356 -10.262 1.00 0.00 C ATOM 108 OD1 ASN A 6 15.625 -16.949 -9.384 1.00 0.00 O ATOM 109 ND2 ASN A 6 16.538 -16.887 -11.442 1.00 0.00 N ATOM 0 H ASN A 6 16.500 -14.142 -12.507 1.00 0.00 H new ATOM 0 HA ASN A 6 14.671 -14.222 -10.238 1.00 0.00 H new ATOM 0 HB2 ASN A 6 17.641 -14.765 -10.624 1.00 0.00 H new ATOM 0 HB3 ASN A 6 16.907 -14.717 -9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 6 16.264 -17.846 -11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 6 17.047 -16.335 -12.133 1.00 0.00 H new ATOM 116 N ARG A 7 15.353 -11.533 -10.646 1.00 0.00 N ATOM 117 CA ARG A 7 15.603 -10.155 -10.261 1.00 0.00 C ATOM 118 C ARG A 7 14.333 -9.318 -10.425 1.00 0.00 C ATOM 119 O ARG A 7 14.270 -8.441 -11.285 1.00 0.00 O ATOM 120 CB ARG A 7 16.722 -9.542 -11.106 1.00 0.00 C ATOM 121 CG ARG A 7 18.049 -9.543 -10.343 1.00 0.00 C ATOM 122 CD ARG A 7 19.036 -8.549 -10.958 1.00 0.00 C ATOM 123 NE ARG A 7 20.231 -8.422 -10.094 1.00 0.00 N ATOM 124 CZ ARG A 7 21.179 -9.362 -9.980 1.00 0.00 C ATOM 125 NH1 ARG A 7 21.077 -10.504 -10.674 1.00 0.00 N ATOM 126 NH2 ARG A 7 22.228 -9.160 -9.171 1.00 0.00 N ATOM 0 H ARG A 7 14.631 -11.652 -11.357 1.00 0.00 H new ATOM 0 HA ARG A 7 15.910 -10.154 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.831 -10.104 -12.034 1.00 0.00 H new ATOM 0 HB3 ARG A 7 16.457 -8.521 -11.381 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.872 -9.286 -9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 7 18.480 -10.544 -10.357 1.00 0.00 H new ATOM 0 HD2 ARG A 7 19.330 -8.884 -11.953 1.00 0.00 H new ATOM 0 HD3 ARG A 7 18.558 -7.576 -11.078 1.00 0.00 H new ATOM 0 HE ARG A 7 20.340 -7.565 -9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 7 20.278 -10.657 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 7 21.799 -11.220 -10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 7 22.304 -8.291 -8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 7 22.950 -9.875 -9.084 1.00 0.00 H new ATOM 140 N LYS A 8 13.351 -9.619 -9.588 1.00 0.00 N ATOM 141 CA LYS A 8 12.087 -8.906 -9.629 1.00 0.00 C ATOM 142 C LYS A 8 12.239 -7.564 -8.911 1.00 0.00 C ATOM 143 O LYS A 8 13.159 -7.327 -8.124 1.00 0.00 O ATOM 144 CB LYS A 8 10.961 -9.779 -9.070 1.00 0.00 C ATOM 145 CG LYS A 8 10.074 -10.317 -10.195 1.00 0.00 C ATOM 146 CD LYS A 8 8.868 -11.069 -9.630 1.00 0.00 C ATOM 147 CE LYS A 8 9.232 -12.516 -9.290 1.00 0.00 C ATOM 148 NZ LYS A 8 9.285 -12.707 -7.824 1.00 0.00 N ATOM 0 H LYS A 8 13.406 -10.348 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 8 11.807 -8.686 -10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.386 -10.611 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.358 -9.198 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.732 -9.492 -10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.655 -10.982 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.506 -10.562 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.055 -11.056 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.497 -13.194 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.197 -12.767 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.533 -13.694 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.003 -12.074 -7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.356 -12.487 -7.411 1.00 0.00 H new HETATM 162 N HYP A 9 11.269 -6.631 -9.208 1.00 0.00 N HETATM 163 CA HYP A 9 11.287 -5.246 -8.697 1.00 0.00 C HETATM 164 C HYP A 9 11.266 -5.086 -7.159 1.00 0.00 C HETATM 165 O HYP A 9 11.276 -6.076 -6.430 1.00 0.00 O HETATM 166 CB HYP A 9 10.035 -4.600 -9.320 1.00 0.00 C HETATM 167 CG HYP A 9 9.733 -5.468 -10.545 1.00 0.00 C HETATM 168 CD HYP A 9 10.083 -6.864 -10.023 1.00 0.00 C HETATM 169 OD1 HYP A 9 10.638 -5.102 -11.573 1.00 0.00 O HETATM 0 HD23 HYP A 9 10.285 -7.559 -10.838 1.00 0.00 H new HETATM 0 HD22 HYP A 9 9.269 -7.290 -9.436 1.00 0.00 H new HETATM 0 HG HYP A 9 8.721 -5.385 -10.940 1.00 0.00 H new HETATM 0 HD1 HYP A 9 10.466 -5.646 -12.370 1.00 0.00 H new HETATM 0 HB3 HYP A 9 9.200 -4.595 -8.620 1.00 0.00 H new HETATM 0 HB2 HYP A 9 10.220 -3.564 -9.602 1.00 0.00 H new HETATM 0 HA HYP A 9 12.232 -4.778 -8.972 1.00 0.00 H new ATOM 177 N THR A 10 11.079 -3.844 -6.734 1.00 0.00 N ATOM 178 CA THR A 10 10.867 -3.559 -5.325 1.00 0.00 C ATOM 179 C THR A 10 9.384 -3.693 -4.972 1.00 0.00 C ATOM 180 O THR A 10 8.559 -3.977 -5.839 1.00 0.00 O ATOM 181 CB THR A 10 11.438 -2.170 -5.033 1.00 0.00 C ATOM 182 OG1 THR A 10 12.733 -2.195 -5.626 1.00 0.00 O ATOM 183 CG2 THR A 10 11.714 -1.953 -3.544 1.00 0.00 C ATOM 0 H THR A 10 11.070 -3.024 -7.341 1.00 0.00 H new ATOM 0 HA THR A 10 11.386 -4.279 -4.693 1.00 0.00 H new ATOM 0 HB THR A 10 10.743 -1.409 -5.388 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.174 -1.331 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 10 12.118 -0.952 -3.391 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.786 -2.059 -2.983 1.00 0.00 H new ATOM 0 HG23 THR A 10 12.435 -2.693 -3.196 1.00 0.00 H new ATOM 191 N LYS A 11 9.091 -3.483 -3.696 1.00 0.00 N ATOM 192 CA LYS A 11 7.723 -3.577 -3.218 1.00 0.00 C ATOM 193 C LYS A 11 7.462 -2.457 -2.209 1.00 0.00 C ATOM 194 O LYS A 11 8.326 -2.137 -1.394 1.00 0.00 O ATOM 195 CB LYS A 11 7.442 -4.976 -2.669 1.00 0.00 C ATOM 196 CG LYS A 11 6.040 -5.448 -3.061 1.00 0.00 C ATOM 197 CD LYS A 11 5.625 -6.673 -2.242 1.00 0.00 C ATOM 198 CE LYS A 11 5.643 -7.939 -3.102 1.00 0.00 C ATOM 199 NZ LYS A 11 4.635 -8.908 -2.618 1.00 0.00 N ATOM 0 H LYS A 11 9.778 -3.248 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 11 7.022 -3.436 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.185 -5.676 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.537 -4.970 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.324 -4.641 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.018 -5.692 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.300 -6.795 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.626 -6.521 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.440 -7.682 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.634 -8.391 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.660 -9.761 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.846 -9.166 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.689 -8.479 -2.668 1.00 0.00 H new ATOM 213 N PHE A 12 6.266 -1.891 -2.297 1.00 0.00 N ATOM 214 CA PHE A 12 5.882 -0.813 -1.402 1.00 0.00 C ATOM 215 C PHE A 12 4.587 -1.152 -0.661 1.00 0.00 C ATOM 216 O PHE A 12 3.915 -2.155 -0.913 1.00 0.00 O ATOM 217 CB PHE A 12 5.649 0.427 -2.269 1.00 0.00 C ATOM 218 CG PHE A 12 6.559 0.508 -3.496 1.00 0.00 C ATOM 219 CD1 PHE A 12 7.842 0.938 -3.364 1.00 0.00 C ATOM 220 CD2 PHE A 12 6.084 0.149 -4.719 1.00 0.00 C ATOM 221 CE1 PHE A 12 8.687 1.013 -4.503 1.00 0.00 C ATOM 222 CE2 PHE A 12 6.929 0.225 -5.858 1.00 0.00 C ATOM 223 CZ PHE A 12 8.212 0.655 -5.727 1.00 0.00 C ATOM 0 H PHE A 12 5.552 -2.159 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 12 6.663 -0.650 -0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.610 0.437 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.799 1.318 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.219 1.223 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.065 -0.194 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.706 1.354 -4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.552 -0.059 -6.829 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.854 0.712 -6.594 1.00 0.00 H new HETATM 233 N HYP A 13 4.222 -0.252 0.316 1.00 0.00 N HETATM 234 CA HYP A 13 3.063 -0.445 1.210 1.00 0.00 C HETATM 235 C HYP A 13 1.679 -0.535 0.524 1.00 0.00 C HETATM 236 O HYP A 13 1.386 0.238 -0.388 1.00 0.00 O HETATM 237 CB HYP A 13 3.113 0.771 2.156 1.00 0.00 C HETATM 238 CG HYP A 13 4.570 1.236 2.096 1.00 0.00 C HETATM 239 CD HYP A 13 4.905 1.001 0.621 1.00 0.00 C HETATM 240 OD1 HYP A 13 5.341 0.364 2.905 1.00 0.00 O HETATM 0 HD23 HYP A 13 5.980 0.922 0.461 1.00 0.00 H new HETATM 0 HD22 HYP A 13 4.548 1.817 -0.007 1.00 0.00 H new HETATM 0 HG HYP A 13 4.750 2.257 2.433 1.00 0.00 H new HETATM 0 HD1 HYP A 13 6.281 0.641 2.881 1.00 0.00 H new HETATM 0 HB3 HYP A 13 2.431 1.557 1.831 1.00 0.00 H new HETATM 0 HB2 HYP A 13 2.824 0.498 3.171 1.00 0.00 H new HETATM 0 HA HYP A 13 3.150 -1.415 1.700 1.00 0.00 H new ATOM 248 N ILE A 14 0.831 -1.375 1.097 1.00 0.00 N ATOM 249 CA ILE A 14 -0.557 -1.443 0.672 1.00 0.00 C ATOM 250 C ILE A 14 -1.466 -1.366 1.900 1.00 0.00 C ATOM 251 O ILE A 14 -1.263 -2.019 2.926 1.00 0.00 O ATOM 252 CB ILE A 14 -0.793 -2.685 -0.190 1.00 0.00 C ATOM 253 CG1 ILE A 14 -0.022 -2.592 -1.508 1.00 0.00 C ATOM 254 CG2 ILE A 14 -2.288 -2.920 -0.415 1.00 0.00 C ATOM 255 CD1 ILE A 14 0.320 -3.984 -2.043 1.00 0.00 C ATOM 0 H ILE A 14 1.078 -2.015 1.852 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.803 -0.591 0.038 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.408 -3.552 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.617 -2.052 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.894 -2.021 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.428 -3.809 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.783 -3.062 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.720 -2.057 -0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.868 -3.889 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.936 -4.512 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.599 -4.544 -2.215 1.00 0.00 H new HETATM 267 N HYP A 15 -2.538 -0.508 1.778 1.00 0.00 N HETATM 268 CA HYP A 15 -3.476 -0.215 2.879 1.00 0.00 C HETATM 269 C HYP A 15 -3.975 -1.433 3.693 1.00 0.00 C HETATM 270 O HYP A 15 -4.046 -2.544 3.169 1.00 0.00 O HETATM 271 CB HYP A 15 -4.661 0.487 2.186 1.00 0.00 C HETATM 272 CG HYP A 15 -4.067 1.029 0.883 1.00 0.00 C HETATM 273 CD HYP A 15 -3.099 -0.093 0.498 1.00 0.00 C HETATM 274 OD1 HYP A 15 -3.336 2.205 1.192 1.00 0.00 O HETATM 0 HD23 HYP A 15 -2.326 0.260 -0.184 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -3.614 -0.914 -0.001 1.00 0.00 H new HETATM 0 HG HYP A 15 -4.790 1.274 0.105 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -2.943 2.571 0.372 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -5.478 -0.208 1.992 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -5.065 1.289 2.803 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.963 0.382 3.633 1.00 0.00 H new ATOM 282 N SER A 16 -4.446 -1.140 4.896 1.00 0.00 N ATOM 283 CA SER A 16 -5.104 -2.149 5.708 1.00 0.00 C ATOM 284 C SER A 16 -6.461 -2.508 5.101 1.00 0.00 C ATOM 285 O SER A 16 -6.790 -3.666 4.835 1.00 0.00 O ATOM 286 CB SER A 16 -5.278 -1.667 7.150 1.00 0.00 C ATOM 287 OG SER A 16 -4.622 -2.523 8.082 1.00 0.00 O ATOM 0 H SER A 16 -4.385 -0.218 5.328 1.00 0.00 H new ATOM 0 HA SER A 16 -4.475 -3.039 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.881 -0.656 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.340 -1.616 7.390 1.00 0.00 H new ATOM 0 HG SER A 16 -4.755 -2.181 8.991 1.00 0.00 H new HETATM 293 N HYP A 17 -7.297 -1.437 4.870 1.00 0.00 N HETATM 294 CA HYP A 17 -8.683 -1.576 4.381 1.00 0.00 C HETATM 295 C HYP A 17 -8.856 -2.271 3.009 1.00 0.00 C HETATM 296 O HYP A 17 -8.085 -2.020 2.084 1.00 0.00 O HETATM 297 CB HYP A 17 -9.205 -0.128 4.317 1.00 0.00 C HETATM 298 CG HYP A 17 -8.301 0.642 5.283 1.00 0.00 C HETATM 299 CD HYP A 17 -6.948 -0.031 5.037 1.00 0.00 C HETATM 300 OD1 HYP A 17 -8.738 0.367 6.604 1.00 0.00 O HETATM 0 HD23 HYP A 17 -6.267 0.117 5.875 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -6.455 0.369 4.151 1.00 0.00 H new HETATM 0 HG HYP A 17 -8.287 1.724 5.150 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -8.172 0.849 7.243 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -9.141 0.274 3.306 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -10.251 -0.068 4.618 1.00 0.00 H new HETATM 0 HA HYP A 17 -9.233 -2.235 5.053 1.00 0.00 H new ATOM 308 N ASN A 18 -9.957 -2.997 2.892 1.00 0.00 N ATOM 309 CA ASN A 18 -10.343 -3.571 1.614 1.00 0.00 C ATOM 310 C ASN A 18 -11.480 -4.572 1.830 1.00 0.00 C ATOM 311 O ASN A 18 -12.535 -4.534 1.194 1.00 0.00 O ATOM 312 CB ASN A 18 -9.174 -4.316 0.968 1.00 0.00 C ATOM 313 CG ASN A 18 -8.929 -3.822 -0.459 1.00 0.00 C ATOM 314 OD1 ASN A 18 -9.573 -4.239 -1.407 1.00 0.00 O ATOM 315 ND2 ASN A 18 -7.965 -2.912 -0.559 1.00 0.00 N ATOM 0 H ASN A 18 -10.595 -3.201 3.661 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.656 -2.756 0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.273 -4.174 1.565 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.383 -5.386 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.726 -2.520 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.464 -2.606 0.275 1.00 0.00 H new HETATM 322 N HYP A 19 -11.239 -5.526 2.795 1.00 0.00 N HETATM 323 CA HYP A 19 -12.163 -6.638 3.089 1.00 0.00 C HETATM 324 C HYP A 19 -13.588 -6.239 3.542 1.00 0.00 C HETATM 325 O HYP A 19 -13.791 -5.868 4.697 1.00 0.00 O HETATM 326 CB HYP A 19 -11.451 -7.434 4.200 1.00 0.00 C HETATM 327 CG HYP A 19 -9.976 -7.053 4.050 1.00 0.00 C HETATM 328 CD HYP A 19 -10.081 -5.570 3.680 1.00 0.00 C HETATM 329 OD1 HYP A 19 -9.445 -7.782 2.957 1.00 0.00 O HETATM 0 HD23 HYP A 19 -9.179 -5.215 3.181 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -10.224 -4.945 4.561 1.00 0.00 H new HETATM 0 HG HYP A 19 -9.350 -7.248 4.921 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -8.499 -7.553 2.840 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -11.832 -7.169 5.186 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -11.599 -8.507 4.078 1.00 0.00 H new HETATM 0 HA HYP A 19 -12.352 -7.196 2.172 1.00 0.00 H new ATOM 337 N ARG A 20 -14.541 -6.484 2.655 1.00 0.00 N ATOM 338 CA ARG A 20 -15.943 -6.322 2.998 1.00 0.00 C ATOM 339 C ARG A 20 -16.132 -5.101 3.900 1.00 0.00 C ATOM 340 O ARG A 20 -17.006 -5.093 4.765 1.00 0.00 O ATOM 341 CB ARG A 20 -16.482 -7.564 3.712 1.00 0.00 C ATOM 342 CG ARG A 20 -17.958 -7.390 4.076 1.00 0.00 C ATOM 343 CD ARG A 20 -18.763 -8.639 3.715 1.00 0.00 C ATOM 344 NE ARG A 20 -20.126 -8.545 4.282 1.00 0.00 N ATOM 345 CZ ARG A 20 -20.426 -8.794 5.564 1.00 0.00 C ATOM 346 NH1 ARG A 20 -19.460 -9.155 6.420 1.00 0.00 N ATOM 347 NH2 ARG A 20 -21.692 -8.683 5.990 1.00 0.00 N ATOM 0 H ARG A 20 -14.369 -6.794 1.698 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.497 -6.181 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.362 -8.437 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.901 -7.750 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.052 -7.189 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.366 -6.526 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.818 -8.746 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.262 -9.528 4.098 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.886 -8.273 3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.497 -9.240 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.688 -9.345 7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.427 -8.409 5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.920 -8.873 6.966 1.00 0.00 H new ATOM 361 N ASP A 21 -15.298 -4.098 3.666 1.00 0.00 N ATOM 362 CA ASP A 21 -15.362 -2.874 4.447 1.00 0.00 C ATOM 363 C ASP A 21 -16.754 -2.257 4.306 1.00 0.00 C ATOM 364 O ASP A 21 -17.728 -2.963 4.050 1.00 0.00 O ATOM 365 CB ASP A 21 -14.339 -1.851 3.951 1.00 0.00 C ATOM 366 CG ASP A 21 -13.729 -0.966 5.041 1.00 0.00 C ATOM 367 OD1 ASP A 21 -13.084 -1.541 5.944 1.00 0.00 O ATOM 368 OD2 ASP A 21 -13.923 0.266 4.945 1.00 0.00 O ATOM 0 H ASP A 21 -14.575 -4.108 2.947 1.00 0.00 H new ATOM 0 HA ASP A 21 -15.147 -3.125 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.534 -2.382 3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.818 -1.211 3.210 1.00 0.00 H new ATOM 373 N LYS A 22 -16.805 -0.944 4.478 1.00 0.00 N ATOM 374 CA LYS A 22 -18.063 -0.223 4.373 1.00 0.00 C ATOM 375 C LYS A 22 -18.559 -0.281 2.928 1.00 0.00 C ATOM 376 O LYS A 22 -18.794 0.755 2.306 1.00 0.00 O ATOM 377 CB LYS A 22 -17.911 1.200 4.915 1.00 0.00 C ATOM 378 CG LYS A 22 -18.259 1.260 6.404 1.00 0.00 C ATOM 379 CD LYS A 22 -17.719 2.541 7.043 1.00 0.00 C ATOM 380 CE LYS A 22 -16.748 2.220 8.179 1.00 0.00 C ATOM 381 NZ LYS A 22 -17.461 2.182 9.475 1.00 0.00 N ATOM 0 H LYS A 22 -15.996 -0.361 4.689 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.826 -0.695 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.888 1.543 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.560 1.876 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.341 1.215 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.842 0.391 6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.214 3.143 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.547 3.138 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.267 1.260 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.958 2.971 8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.787 1.963 10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.900 3.107 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.198 1.449 9.444 1.00 0.00 H new ATOM 395 N TRP A 23 -18.705 -1.502 2.435 1.00 0.00 N ATOM 396 CA TRP A 23 -19.171 -1.709 1.074 1.00 0.00 C ATOM 397 C TRP A 23 -20.701 -1.717 1.092 1.00 0.00 C ATOM 398 O TRP A 23 -21.313 -1.591 2.153 1.00 0.00 O ATOM 399 CB TRP A 23 -18.574 -2.985 0.478 1.00 0.00 C ATOM 400 CG TRP A 23 -19.599 -4.092 0.223 1.00 0.00 C ATOM 401 CD1 TRP A 23 -20.393 -4.701 1.114 1.00 0.00 C ATOM 402 CD2 TRP A 23 -19.911 -4.699 -1.048 1.00 0.00 C ATOM 403 NE1 TRP A 23 -21.190 -5.653 0.511 1.00 0.00 N ATOM 404 CE2 TRP A 23 -20.888 -5.652 -0.845 1.00 0.00 C ATOM 405 CE3 TRP A 23 -19.385 -4.451 -2.329 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -21.424 -6.433 -1.876 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -19.930 -5.241 -3.348 1.00 0.00 C ATOM 408 CH2 TRP A 23 -20.914 -6.203 -3.160 1.00 0.00 C ATOM 0 H TRP A 23 -18.509 -2.358 2.954 1.00 0.00 H new ATOM 0 HA TRP A 23 -18.835 -0.900 0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -18.080 -2.738 -0.462 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -17.806 -3.364 1.152 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -20.408 -4.476 2.170 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -21.875 -6.248 0.976 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -18.621 -3.710 -2.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -22.189 -7.173 -1.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -19.559 -5.092 -4.351 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -21.284 -6.771 -4.000 1.00 0.00 H new ATOM 419 N CYS A 24 -21.275 -1.864 -0.092 1.00 0.00 N ATOM 420 CA CYS A 24 -22.722 -1.890 -0.225 1.00 0.00 C ATOM 421 C CYS A 24 -23.225 -0.447 -0.276 1.00 0.00 C ATOM 422 O CYS A 24 -22.449 0.478 -0.511 1.00 0.00 O ATOM 423 CB CYS A 24 -23.379 -2.685 0.906 1.00 0.00 C ATOM 424 SG CYS A 24 -24.004 -1.670 2.294 1.00 0.00 S ATOM 0 H CYS A 24 -20.764 -1.966 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 24 -22.997 -2.402 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -24.208 -3.260 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -22.656 -3.402 1.295 1.00 0.00 H new ATOM 429 N ARG A 25 -24.523 -0.298 -0.052 1.00 0.00 N ATOM 430 CA ARG A 25 -25.139 1.018 -0.069 1.00 0.00 C ATOM 431 C ARG A 25 -24.305 2.006 0.749 1.00 0.00 C ATOM 432 O ARG A 25 -24.538 3.212 0.696 1.00 0.00 O ATOM 433 CB ARG A 25 -26.559 0.968 0.498 1.00 0.00 C ATOM 434 CG ARG A 25 -27.472 1.962 -0.223 1.00 0.00 C ATOM 435 CD ARG A 25 -28.318 2.755 0.777 1.00 0.00 C ATOM 436 NE ARG A 25 -27.449 3.644 1.580 1.00 0.00 N ATOM 437 CZ ARG A 25 -27.904 4.634 2.360 1.00 0.00 C ATOM 438 NH1 ARG A 25 -29.221 4.867 2.447 1.00 0.00 N ATOM 439 NH2 ARG A 25 -27.043 5.391 3.054 1.00 0.00 N ATOM 0 H ARG A 25 -25.165 -1.067 0.142 1.00 0.00 H new ATOM 0 HA ARG A 25 -25.185 1.349 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -26.960 -0.040 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -26.537 1.196 1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -26.870 2.647 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -28.124 1.427 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -29.065 3.345 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -28.858 2.071 1.432 1.00 0.00 H new ATOM 0 HE ARG A 25 -26.441 3.494 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -29.877 4.291 1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -29.567 5.621 3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -26.041 5.214 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -27.390 6.144 3.648 1.00 0.00 H new ATOM 453 N LEU A 26 -23.350 1.457 1.485 1.00 0.00 N ATOM 454 CA LEU A 26 -22.480 2.275 2.314 1.00 0.00 C ATOM 455 C LEU A 26 -21.793 3.327 1.440 1.00 0.00 C ATOM 456 O LEU A 26 -22.206 3.561 0.305 1.00 0.00 O ATOM 457 CB LEU A 26 -21.505 1.395 3.098 1.00 0.00 C ATOM 458 CG LEU A 26 -22.031 0.816 4.412 1.00 0.00 C ATOM 459 CD1 LEU A 26 -23.557 0.911 4.480 1.00 0.00 C ATOM 460 CD2 LEU A 26 -21.537 -0.618 4.618 1.00 0.00 C ATOM 0 H LEU A 26 -23.159 0.456 1.525 1.00 0.00 H new ATOM 0 HA LEU A 26 -23.061 2.812 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.197 0.569 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.611 1.981 3.314 1.00 0.00 H new ATOM 0 HG LEU A 26 -21.633 1.414 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -23.906 0.493 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -23.860 1.956 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -23.994 0.352 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -21.926 -1.005 5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -21.885 -1.244 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.447 -0.627 4.644 1.00 0.00 H new ATOM 472 N ASN A 27 -20.759 3.933 2.004 1.00 0.00 N ATOM 473 CA ASN A 27 -20.011 4.955 1.290 1.00 0.00 C ATOM 474 C ASN A 27 -19.259 4.309 0.125 1.00 0.00 C ATOM 475 O ASN A 27 -18.030 4.351 0.076 1.00 0.00 O ATOM 476 CB ASN A 27 -18.984 5.625 2.205 1.00 0.00 C ATOM 477 CG ASN A 27 -18.467 6.926 1.588 1.00 0.00 C ATOM 478 OD1 ASN A 27 -18.139 7.000 0.415 1.00 0.00 O ATOM 479 ND2 ASN A 27 -18.411 7.945 2.441 1.00 0.00 N ATOM 0 H ASN A 27 -20.421 3.737 2.946 1.00 0.00 H new ATOM 0 HA ASN A 27 -20.718 5.704 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.436 5.833 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.150 4.945 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.078 8.856 2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -18.701 7.815 3.410 1.00 0.00 H new ATOM 486 N LEU A 28 -20.027 3.728 -0.785 1.00 0.00 N ATOM 487 CA LEU A 28 -19.447 3.075 -1.947 1.00 0.00 C ATOM 488 C LEU A 28 -19.633 3.969 -3.174 1.00 0.00 C ATOM 489 O LEU A 28 -19.742 5.188 -3.049 1.00 0.00 O ATOM 490 CB LEU A 28 -20.026 1.669 -2.115 1.00 0.00 C ATOM 491 CG LEU A 28 -19.011 0.549 -2.352 1.00 0.00 C ATOM 492 CD1 LEU A 28 -19.654 -0.627 -3.091 1.00 0.00 C ATOM 493 CD2 LEU A 28 -17.773 1.076 -3.081 1.00 0.00 C ATOM 0 H LEU A 28 -21.046 3.696 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 28 -18.374 2.938 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -20.603 1.426 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -20.724 1.683 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 28 -18.680 0.178 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -18.911 -1.409 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -20.478 -1.023 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -20.031 -0.288 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -17.068 0.260 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -18.067 1.490 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -17.301 1.854 -2.481 1.00 0.00 H new ATOM 505 N GLY A 29 -19.664 3.328 -4.334 1.00 0.00 N ATOM 506 CA GLY A 29 -19.835 4.050 -5.583 1.00 0.00 C ATOM 507 C GLY A 29 -19.773 3.097 -6.779 1.00 0.00 C ATOM 508 O GLY A 29 -20.676 2.311 -7.070 1.00 0.00 O ATOM 0 H GLY A 29 -19.574 2.317 -4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.792 4.571 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.059 4.809 -5.678 1.00 0.00 H new ATOM 512 N PRO A 30 -18.642 3.174 -7.509 1.00 0.00 N ATOM 513 CA PRO A 30 -18.481 2.439 -8.791 1.00 0.00 C ATOM 514 C PRO A 30 -18.793 0.902 -8.791 1.00 0.00 C ATOM 515 O PRO A 30 -17.813 0.199 -9.029 1.00 0.00 O ATOM 516 CB PRO A 30 -17.025 2.806 -9.155 1.00 0.00 C ATOM 517 CG PRO A 30 -16.322 3.106 -7.824 1.00 0.00 C ATOM 518 CD PRO A 30 -17.405 3.751 -6.957 1.00 0.00 C ATOM 0 HA PRO A 30 -19.228 2.731 -9.529 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -16.535 1.986 -9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.994 3.671 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.936 2.196 -7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.474 3.777 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.279 3.507 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -17.394 4.838 -7.036 1.00 0.00 H new ATOM 526 N ALA A 31 -20.012 0.438 -8.558 1.00 0.00 N ATOM 527 CA ALA A 31 -20.284 -0.988 -8.569 1.00 0.00 C ATOM 528 C ALA A 31 -21.515 -1.275 -7.706 1.00 0.00 C ATOM 529 O ALA A 31 -22.158 -2.312 -7.861 1.00 0.00 O ATOM 530 CB ALA A 31 -19.045 -1.748 -8.090 1.00 0.00 C ATOM 0 H ALA A 31 -20.822 1.025 -8.360 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.504 -1.329 -9.581 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.249 -2.819 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.207 -1.533 -8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.795 -1.434 -7.077 1.00 0.00 H new ATOM 536 N TRP A 32 -21.803 -0.338 -6.814 1.00 0.00 N ATOM 537 CA TRP A 32 -22.944 -0.477 -5.926 1.00 0.00 C ATOM 538 C TRP A 32 -23.815 0.772 -6.077 1.00 0.00 C ATOM 539 O TRP A 32 -23.893 1.353 -7.157 1.00 0.00 O ATOM 540 CB TRP A 32 -22.492 -0.721 -4.486 1.00 0.00 C ATOM 541 CG TRP A 32 -23.423 -1.635 -3.686 1.00 0.00 C ATOM 542 CD1 TRP A 32 -24.297 -1.291 -2.731 1.00 0.00 C ATOM 543 CD2 TRP A 32 -23.538 -3.068 -3.815 1.00 0.00 C ATOM 544 NE1 TRP A 32 -24.965 -2.392 -2.235 1.00 0.00 N ATOM 545 CE2 TRP A 32 -24.489 -3.507 -2.916 1.00 0.00 C ATOM 546 CE3 TRP A 32 -22.863 -3.964 -4.662 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -24.849 -4.853 -2.777 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -23.234 -5.305 -4.512 1.00 0.00 C ATOM 549 CH2 TRP A 32 -24.188 -5.763 -3.610 1.00 0.00 C ATOM 0 H TRP A 32 -21.266 0.520 -6.688 1.00 0.00 H new ATOM 0 HA TRP A 32 -23.538 -1.350 -6.195 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -21.494 -1.158 -4.499 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -22.413 0.238 -3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -24.459 -0.279 -2.392 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -25.676 -2.389 -1.504 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -22.116 -3.643 -5.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -25.596 -5.172 -2.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -22.745 -6.035 -5.140 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -24.418 -6.817 -3.552 1.00 0.00 H new ATOM 560 N GLY A 33 -24.448 1.149 -4.975 1.00 0.00 N ATOM 561 CA GLY A 33 -25.310 2.319 -4.970 1.00 0.00 C ATOM 562 C GLY A 33 -26.779 1.918 -5.119 1.00 0.00 C ATOM 563 O GLY A 33 -27.136 1.183 -6.040 1.00 0.00 O ATOM 0 H GLY A 33 -24.381 0.665 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.173 2.872 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.027 2.987 -5.784 1.00 0.00 H new ATOM 567 N GLY A 34 -27.592 2.418 -4.201 1.00 0.00 N ATOM 568 CA GLY A 34 -29.015 2.122 -4.219 1.00 0.00 C ATOM 569 C GLY A 34 -29.473 1.551 -2.876 1.00 0.00 C ATOM 570 O GLY A 34 -30.020 2.273 -2.045 1.00 0.00 O ATOM 0 H GLY A 34 -27.293 3.027 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -29.576 3.029 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -29.232 1.409 -5.014 1.00 0.00 H new ATOM 574 N ARG A 35 -29.232 0.259 -2.706 1.00 0.00 N ATOM 575 CA ARG A 35 -29.613 -0.418 -1.477 1.00 0.00 C ATOM 576 C ARG A 35 -28.466 -1.300 -0.980 1.00 0.00 C ATOM 577 O ARG A 35 -27.543 -1.608 -1.732 1.00 0.00 O ATOM 578 CB ARG A 35 -30.858 -1.281 -1.688 1.00 0.00 C ATOM 579 CG ARG A 35 -32.000 -0.827 -0.777 1.00 0.00 C ATOM 580 CD ARG A 35 -33.343 -1.369 -1.271 1.00 0.00 C ATOM 581 NE ARG A 35 -34.066 -2.024 -0.156 1.00 0.00 N ATOM 582 CZ ARG A 35 -35.374 -2.309 -0.175 1.00 0.00 C ATOM 583 NH1 ARG A 35 -36.113 -2.001 -1.250 1.00 0.00 N ATOM 584 NH2 ARG A 35 -35.945 -2.904 0.881 1.00 0.00 N ATOM 0 H ARG A 35 -28.778 -0.337 -3.398 1.00 0.00 H new ATOM 0 HA ARG A 35 -29.837 0.346 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -31.174 -1.222 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -30.620 -2.325 -1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -31.817 -1.171 0.241 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -32.033 0.262 -0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -33.945 -0.557 -1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -33.182 -2.082 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 35 -33.534 -2.273 0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -35.679 -1.549 -2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -37.109 -2.219 -1.263 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -35.383 -3.140 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -36.941 -3.121 0.867 1.00 0.00 H new ATOM 598 N CYS A 36 -28.562 -1.682 0.285 1.00 0.00 N ATOM 599 CA CYS A 36 -27.544 -2.523 0.892 1.00 0.00 C ATOM 600 C CYS A 36 -28.090 -3.950 0.981 1.00 0.00 C ATOM 601 O CYS A 36 -28.649 -4.466 0.014 1.00 0.00 O ATOM 602 CB CYS A 36 -27.112 -1.992 2.260 1.00 0.00 C ATOM 603 SG CYS A 36 -25.592 -2.755 2.935 1.00 0.00 S ATOM 0 H CYS A 36 -29.329 -1.425 0.906 1.00 0.00 H new ATOM 0 HA CYS A 36 -26.647 -2.515 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.958 -0.916 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.926 -2.149 2.968 1.00 0.00 H new TER 608 CYS A 36