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+ -159:sc=-0.00867 (180deg=-0.715) USER MOD Single : A 6 ASN : amide:sc= -2.25 K(o=-2.2,f=-4.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HYP OD1 : rot -150:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.809! 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= -0.346 K(o=-0.35,f=-2.9!) 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= -0.61 K(o=-0.61,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 13.374 -6.693 -19.381 1.00 0.00 N ATOM 2 CA TRP A 1 13.790 -7.217 -20.671 1.00 0.00 C ATOM 3 C TRP A 1 15.140 -6.590 -21.023 1.00 0.00 C ATOM 4 O TRP A 1 15.917 -7.165 -21.785 1.00 0.00 O ATOM 5 CB TRP A 1 12.720 -6.966 -21.735 1.00 0.00 C ATOM 6 CG TRP A 1 12.509 -5.488 -22.071 1.00 0.00 C ATOM 7 CD1 TRP A 1 11.738 -4.599 -21.429 1.00 0.00 C ATOM 8 CD2 TRP A 1 13.111 -4.760 -23.160 1.00 0.00 C ATOM 9 NE1 TRP A 1 11.800 -3.355 -22.024 1.00 0.00 N ATOM 10 CE2 TRP A 1 12.661 -3.456 -23.110 1.00 0.00 C ATOM 11 CE3 TRP A 1 14.007 -5.187 -24.156 1.00 0.00 C ATOM 12 CZ2 TRP A 1 13.052 -2.474 -24.028 1.00 0.00 C ATOM 13 CZ3 TRP A 1 14.388 -4.195 -25.067 1.00 0.00 C ATOM 14 CH2 TRP A 1 13.944 -2.878 -25.030 1.00 0.00 C ATOM 0 H1 TRP A 1 12.676 -7.335 -18.954 1.00 0.00 H new ATOM 0 H2 TRP A 1 14.201 -6.616 -18.755 1.00 0.00 H new ATOM 0 H3 TRP A 1 12.948 -5.753 -19.509 1.00 0.00 H new ATOM 0 HA TRP A 1 13.909 -8.300 -20.627 1.00 0.00 H new ATOM 0 HB2 TRP A 1 12.996 -7.499 -22.645 1.00 0.00 H new ATOM 0 HB3 TRP A 1 11.775 -7.388 -21.392 1.00 0.00 H new ATOM 0 HD1 TRP A 1 11.144 -4.827 -20.557 1.00 0.00 H new ATOM 0 HE1 TRP A 1 11.305 -2.516 -21.722 1.00 0.00 H new ATOM 0 HE3 TRP A 1 14.373 -6.202 -24.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 12.686 -1.460 -23.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 15.075 -4.472 -25.853 1.00 0.00 H new ATOM 0 HH2 TRP A 1 14.285 -2.170 -25.770 1.00 0.00 H new ATOM 25 N GLU A 2 15.380 -5.419 -20.451 1.00 0.00 N ATOM 26 CA GLU A 2 16.624 -4.708 -20.694 1.00 0.00 C ATOM 27 C GLU A 2 17.643 -5.031 -19.601 1.00 0.00 C ATOM 28 O GLU A 2 17.663 -4.384 -18.554 1.00 0.00 O ATOM 29 CB GLU A 2 16.383 -3.200 -20.791 1.00 0.00 C ATOM 30 CG GLU A 2 15.573 -2.696 -19.595 1.00 0.00 C ATOM 31 CD GLU A 2 15.977 -1.268 -19.223 1.00 0.00 C ATOM 32 OE1 GLU A 2 15.562 -0.350 -19.963 1.00 0.00 O ATOM 33 OE2 GLU A 2 16.691 -1.127 -18.206 1.00 0.00 O ATOM 0 H GLU A 2 14.734 -4.945 -19.820 1.00 0.00 H new ATOM 0 HA GLU A 2 17.029 -5.041 -21.650 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.339 -2.677 -20.834 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.853 -2.972 -21.716 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.510 -2.727 -19.832 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.729 -3.356 -18.742 1.00 0.00 H new ATOM 40 N TRP A 3 18.466 -6.032 -19.880 1.00 0.00 N ATOM 41 CA TRP A 3 19.485 -6.449 -18.932 1.00 0.00 C ATOM 42 C TRP A 3 18.781 -7.010 -17.696 1.00 0.00 C ATOM 43 O TRP A 3 17.705 -6.582 -17.274 1.00 0.00 O ATOM 44 CB TRP A 3 20.436 -5.295 -18.607 1.00 0.00 C ATOM 45 CG TRP A 3 21.239 -4.792 -19.809 1.00 0.00 C ATOM 46 CD1 TRP A 3 21.065 -3.657 -20.500 1.00 0.00 C ATOM 47 CD2 TRP A 3 22.355 -5.457 -20.436 1.00 0.00 C ATOM 48 NE1 TRP A 3 21.984 -3.542 -21.523 1.00 0.00 N ATOM 49 CE2 TRP A 3 22.793 -4.673 -21.483 1.00 0.00 C ATOM 50 CE3 TRP A 3 22.973 -6.682 -20.130 1.00 0.00 C ATOM 51 CZ2 TRP A 3 23.869 -5.024 -22.307 1.00 0.00 C ATOM 52 CZ3 TRP A 3 24.047 -7.020 -20.963 1.00 0.00 C ATOM 53 CH2 TRP A 3 24.501 -6.241 -22.020 1.00 0.00 C ATOM 0 H TRP A 3 18.448 -6.566 -20.749 1.00 0.00 H new ATOM 0 HA TRP A 3 20.112 -7.231 -19.359 1.00 0.00 H new ATOM 0 HB2 TRP A 3 19.859 -4.467 -18.197 1.00 0.00 H new ATOM 0 HB3 TRP A 3 21.129 -5.617 -17.829 1.00 0.00 H new ATOM 0 HD1 TRP A 3 20.302 -2.924 -20.283 1.00 0.00 H new ATOM 0 HE1 TRP A 3 22.057 -2.770 -22.186 1.00 0.00 H new ATOM 0 HE3 TRP A 3 22.645 -7.313 -19.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 24.194 -4.391 -23.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 24.558 -7.952 -20.770 1.00 0.00 H new ATOM 0 HH2 TRP A 3 25.337 -6.572 -22.618 1.00 0.00 H new ATOM 64 N PRO A 4 19.425 -8.023 -17.084 1.00 0.00 N ATOM 65 CA PRO A 4 18.809 -8.788 -15.967 1.00 0.00 C ATOM 66 C PRO A 4 18.492 -8.011 -14.643 1.00 0.00 C ATOM 67 O PRO A 4 19.392 -8.068 -13.807 1.00 0.00 O ATOM 68 CB PRO A 4 19.823 -9.944 -15.814 1.00 0.00 C ATOM 69 CG PRO A 4 21.162 -9.399 -16.326 1.00 0.00 C ATOM 70 CD PRO A 4 20.781 -8.454 -17.467 1.00 0.00 C ATOM 0 HA PRO A 4 17.788 -9.096 -16.194 1.00 0.00 H new ATOM 0 HB2 PRO A 4 19.902 -10.259 -14.774 1.00 0.00 H new ATOM 0 HB3 PRO A 4 19.511 -10.816 -16.389 1.00 0.00 H new ATOM 0 HG2 PRO A 4 21.703 -8.873 -15.539 1.00 0.00 H new ATOM 0 HG3 PRO A 4 21.810 -10.203 -16.676 1.00 0.00 H new ATOM 0 HD2 PRO A 4 21.468 -7.611 -17.543 1.00 0.00 H new ATOM 0 HD3 PRO A 4 20.789 -8.960 -18.433 1.00 0.00 H new ATOM 78 N TRP A 5 17.347 -7.368 -14.471 1.00 0.00 N ATOM 79 CA TRP A 5 17.067 -6.658 -13.234 1.00 0.00 C ATOM 80 C TRP A 5 15.588 -6.860 -12.897 1.00 0.00 C ATOM 81 O TRP A 5 15.162 -7.974 -12.597 1.00 0.00 O ATOM 82 CB TRP A 5 17.458 -5.183 -13.346 1.00 0.00 C ATOM 83 CG TRP A 5 18.966 -4.945 -13.442 1.00 0.00 C ATOM 84 CD1 TRP A 5 19.672 -4.539 -14.507 1.00 0.00 C ATOM 85 CD2 TRP A 5 19.932 -5.117 -12.385 1.00 0.00 C ATOM 86 NE1 TRP A 5 21.016 -4.436 -14.214 1.00 0.00 N ATOM 87 CE2 TRP A 5 21.180 -4.799 -12.882 1.00 0.00 C ATOM 88 CE3 TRP A 5 19.759 -5.528 -11.051 1.00 0.00 C ATOM 89 CZ2 TRP A 5 22.349 -4.858 -12.115 1.00 0.00 C ATOM 90 CZ3 TRP A 5 20.937 -5.582 -10.297 1.00 0.00 C ATOM 91 CH2 TRP A 5 22.200 -5.265 -10.783 1.00 0.00 C ATOM 0 H TRP A 5 16.602 -7.323 -15.167 1.00 0.00 H new ATOM 0 HA TRP A 5 17.668 -7.057 -12.417 1.00 0.00 H new ATOM 0 HB2 TRP A 5 16.976 -4.756 -14.226 1.00 0.00 H new ATOM 0 HB3 TRP A 5 17.071 -4.648 -12.479 1.00 0.00 H new ATOM 0 HD1 TRP A 5 19.242 -4.320 -15.473 1.00 0.00 H new ATOM 0 HE1 TRP A 5 21.754 -4.147 -14.856 1.00 0.00 H new ATOM 0 HE3 TRP A 5 18.793 -5.782 -10.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 23.314 -4.603 -12.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 20.859 -5.892 -9.265 1.00 0.00 H new ATOM 0 HH2 TRP A 5 23.063 -5.332 -10.137 1.00 0.00 H new ATOM 102 N ASN A 6 14.845 -5.764 -12.959 1.00 0.00 N ATOM 103 CA ASN A 6 13.423 -5.807 -12.664 1.00 0.00 C ATOM 104 C ASN A 6 12.761 -4.526 -13.178 1.00 0.00 C ATOM 105 O ASN A 6 13.433 -3.517 -13.387 1.00 0.00 O ATOM 106 CB ASN A 6 13.174 -5.895 -11.157 1.00 0.00 C ATOM 107 CG ASN A 6 13.318 -7.335 -10.662 1.00 0.00 C ATOM 108 OD1 ASN A 6 13.051 -8.292 -11.371 1.00 0.00 O ATOM 109 ND2 ASN A 6 13.752 -7.436 -9.409 1.00 0.00 N ATOM 0 H ASN A 6 15.201 -4.842 -13.209 1.00 0.00 H new ATOM 0 HA ASN A 6 13.005 -6.688 -13.150 1.00 0.00 H new ATOM 0 HB2 ASN A 6 13.880 -5.253 -10.630 1.00 0.00 H new ATOM 0 HB3 ASN A 6 12.174 -5.526 -10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.880 -8.355 -8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 6 13.957 -6.594 -8.871 1.00 0.00 H new ATOM 116 N ARG A 7 11.452 -4.609 -13.366 1.00 0.00 N ATOM 117 CA ARG A 7 10.693 -3.469 -13.852 1.00 0.00 C ATOM 118 C ARG A 7 10.056 -2.718 -12.680 1.00 0.00 C ATOM 119 O ARG A 7 8.866 -2.408 -12.711 1.00 0.00 O ATOM 120 CB ARG A 7 9.596 -3.911 -14.822 1.00 0.00 C ATOM 121 CG ARG A 7 9.562 -3.010 -16.058 1.00 0.00 C ATOM 122 CD ARG A 7 8.189 -3.057 -16.733 1.00 0.00 C ATOM 123 NE ARG A 7 8.206 -4.030 -17.848 1.00 0.00 N ATOM 124 CZ ARG A 7 8.048 -5.352 -17.694 1.00 0.00 C ATOM 125 NH1 ARG A 7 7.859 -5.866 -16.471 1.00 0.00 N ATOM 126 NH2 ARG A 7 8.079 -6.159 -18.763 1.00 0.00 N ATOM 0 H ARG A 7 10.898 -5.447 -13.191 1.00 0.00 H new ATOM 0 HA ARG A 7 11.384 -2.810 -14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.768 -4.944 -15.125 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.629 -3.883 -14.320 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.796 -1.985 -15.772 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.330 -3.326 -16.764 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.427 -3.338 -16.006 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.924 -2.068 -17.107 1.00 0.00 H new ATOM 0 HE ARG A 7 8.347 -3.672 -18.793 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.835 -5.251 -15.657 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.739 -6.872 -16.354 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.223 -5.767 -19.694 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.959 -7.165 -18.646 1.00 0.00 H new ATOM 140 N LYS A 8 10.877 -2.449 -11.676 1.00 0.00 N ATOM 141 CA LYS A 8 10.409 -1.740 -10.496 1.00 0.00 C ATOM 142 C LYS A 8 9.017 -2.252 -10.118 1.00 0.00 C ATOM 143 O LYS A 8 7.992 -1.586 -10.282 1.00 0.00 O ATOM 144 CB LYS A 8 10.467 -0.228 -10.722 1.00 0.00 C ATOM 145 CG LYS A 8 9.464 0.500 -9.825 1.00 0.00 C ATOM 146 CD LYS A 8 10.004 1.864 -9.392 1.00 0.00 C ATOM 147 CE LYS A 8 9.501 2.234 -7.995 1.00 0.00 C ATOM 148 NZ LYS A 8 10.540 1.953 -6.979 1.00 0.00 N ATOM 0 H LYS A 8 11.863 -2.709 -11.655 1.00 0.00 H new ATOM 0 HA LYS A 8 11.064 -1.938 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.474 0.135 -10.517 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.254 -0.005 -11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.522 0.630 -10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.251 -0.107 -8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.094 1.846 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.694 2.626 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.232 3.290 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.598 1.669 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.183 2.210 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.777 0.940 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.392 2.511 -7.190 1.00 0.00 H new HETATM 162 N HYP A 9 8.990 -3.518 -9.577 1.00 0.00 N HETATM 163 CA HYP A 9 7.745 -4.232 -9.236 1.00 0.00 C HETATM 164 C HYP A 9 6.847 -3.565 -8.166 1.00 0.00 C HETATM 165 O HYP A 9 7.307 -3.277 -7.061 1.00 0.00 O HETATM 166 CB HYP A 9 8.224 -5.613 -8.748 1.00 0.00 C HETATM 167 CG HYP A 9 9.613 -5.770 -9.369 1.00 0.00 C HETATM 168 CD HYP A 9 10.156 -4.341 -9.272 1.00 0.00 C HETATM 169 OD1 HYP A 9 9.446 -6.126 -10.732 1.00 0.00 O HETATM 0 HD23 HYP A 9 10.966 -4.169 -9.981 1.00 0.00 H new HETATM 0 HD22 HYP A 9 10.551 -4.127 -8.279 1.00 0.00 H new HETATM 0 HG HYP A 9 10.253 -6.518 -8.901 1.00 0.00 H new HETATM 0 HD1 HYP A 9 10.204 -6.675 -11.022 1.00 0.00 H new HETATM 0 HB3 HYP A 9 8.267 -5.658 -7.660 1.00 0.00 H new HETATM 0 HB2 HYP A 9 7.550 -6.406 -9.073 1.00 0.00 H new HETATM 0 HA HYP A 9 7.097 -4.253 -10.112 1.00 0.00 H new ATOM 177 N THR A 10 5.564 -3.491 -8.487 1.00 0.00 N ATOM 178 CA THR A 10 4.574 -3.047 -7.519 1.00 0.00 C ATOM 179 C THR A 10 5.057 -1.785 -6.803 1.00 0.00 C ATOM 180 O THR A 10 6.128 -1.264 -7.110 1.00 0.00 O ATOM 181 CB THR A 10 4.287 -4.213 -6.569 1.00 0.00 C ATOM 182 OG1 THR A 10 4.560 -3.681 -5.276 1.00 0.00 O ATOM 183 CG2 THR A 10 5.292 -5.355 -6.723 1.00 0.00 C ATOM 0 H THR A 10 5.186 -3.731 -9.404 1.00 0.00 H new ATOM 0 HA THR A 10 3.640 -2.768 -8.007 1.00 0.00 H new ATOM 0 HB THR A 10 3.280 -4.590 -6.750 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.398 -4.370 -4.598 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.043 -6.156 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.255 -5.737 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.296 -4.988 -6.509 1.00 0.00 H new ATOM 191 N LYS A 11 4.244 -1.329 -5.862 1.00 0.00 N ATOM 192 CA LYS A 11 4.575 -0.137 -5.099 1.00 0.00 C ATOM 193 C LYS A 11 4.336 -0.406 -3.612 1.00 0.00 C ATOM 194 O LYS A 11 3.609 0.335 -2.953 1.00 0.00 O ATOM 195 CB LYS A 11 3.806 1.072 -5.636 1.00 0.00 C ATOM 196 CG LYS A 11 4.580 2.368 -5.385 1.00 0.00 C ATOM 197 CD LYS A 11 4.388 3.354 -6.539 1.00 0.00 C ATOM 198 CE LYS A 11 5.538 4.361 -6.597 1.00 0.00 C ATOM 199 NZ LYS A 11 5.102 5.608 -7.264 1.00 0.00 N ATOM 0 H LYS A 11 3.356 -1.763 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 11 5.631 0.108 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.630 0.950 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.829 1.129 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.242 2.823 -4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.640 2.145 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.329 2.809 -7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.443 3.883 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.885 4.584 -5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.381 3.929 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.895 6.281 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.792 5.393 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.312 6.028 -6.733 1.00 0.00 H new ATOM 213 N PHE A 12 4.965 -1.468 -3.128 1.00 0.00 N ATOM 214 CA PHE A 12 4.830 -1.843 -1.731 1.00 0.00 C ATOM 215 C PHE A 12 3.367 -1.796 -1.288 1.00 0.00 C ATOM 216 O PHE A 12 2.444 -1.512 -2.056 1.00 0.00 O ATOM 217 CB PHE A 12 5.631 -0.825 -0.915 1.00 0.00 C ATOM 218 CG PHE A 12 6.813 -0.215 -1.669 1.00 0.00 C ATOM 219 CD1 PHE A 12 7.945 -0.945 -1.864 1.00 0.00 C ATOM 220 CD2 PHE A 12 6.735 1.056 -2.145 1.00 0.00 C ATOM 221 CE1 PHE A 12 9.043 -0.379 -2.564 1.00 0.00 C ATOM 222 CE2 PHE A 12 7.833 1.622 -2.845 1.00 0.00 C ATOM 223 CZ PHE A 12 8.964 0.893 -3.040 1.00 0.00 C ATOM 0 H PHE A 12 5.568 -2.079 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 12 5.193 -2.860 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.964 -0.024 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.001 -1.309 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.008 -1.955 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.837 1.636 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.941 -0.958 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.770 2.632 -3.223 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.799 1.323 -3.572 1.00 0.00 H new HETATM 233 N HYP A 13 3.150 -2.094 0.040 1.00 0.00 N HETATM 234 CA HYP A 13 1.806 -2.198 0.642 1.00 0.00 C HETATM 235 C HYP A 13 0.995 -0.883 0.734 1.00 0.00 C HETATM 236 O HYP A 13 1.571 0.203 0.739 1.00 0.00 O HETATM 237 CB HYP A 13 2.069 -2.764 2.051 1.00 0.00 C HETATM 238 CG HYP A 13 3.434 -3.448 1.934 1.00 0.00 C HETATM 239 CD HYP A 13 4.176 -2.490 0.998 1.00 0.00 C HETATM 240 OD1 HYP A 13 3.243 -4.695 1.288 1.00 0.00 O HETATM 0 HD23 HYP A 13 5.017 -2.979 0.507 1.00 0.00 H new HETATM 0 HD22 HYP A 13 4.576 -1.631 1.537 1.00 0.00 H new HETATM 0 HG HYP A 13 3.949 -3.631 2.877 1.00 0.00 H new HETATM 0 HD1 HYP A 13 4.105 -5.153 1.199 1.00 0.00 H new HETATM 0 HB3 HYP A 13 2.083 -1.973 2.801 1.00 0.00 H new HETATM 0 HB2 HYP A 13 1.294 -3.471 2.347 1.00 0.00 H new HETATM 0 HA HYP A 13 1.178 -2.821 0.004 1.00 0.00 H new ATOM 248 N ILE A 14 -0.301 -1.047 0.957 1.00 0.00 N ATOM 249 CA ILE A 14 -1.161 0.090 1.236 1.00 0.00 C ATOM 250 C ILE A 14 -1.967 -0.184 2.507 1.00 0.00 C ATOM 251 O ILE A 14 -2.541 -1.255 2.718 1.00 0.00 O ATOM 252 CB ILE A 14 -2.028 0.417 0.018 1.00 0.00 C ATOM 253 CG1 ILE A 14 -1.171 0.568 -1.240 1.00 0.00 C ATOM 254 CG2 ILE A 14 -2.891 1.654 0.275 1.00 0.00 C ATOM 255 CD1 ILE A 14 -1.683 -0.333 -2.365 1.00 0.00 C ATOM 0 H ILE A 14 -0.776 -1.950 0.950 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.563 0.982 1.423 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.706 -0.419 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.181 1.607 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.135 0.317 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.497 1.864 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.543 1.472 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.248 2.509 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.056 -0.206 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.648 -1.374 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.711 -0.063 -2.608 1.00 0.00 H new HETATM 267 N HYP A 15 -2.006 0.857 3.408 1.00 0.00 N HETATM 268 CA HYP A 15 -2.645 0.763 4.736 1.00 0.00 C HETATM 269 C HYP A 15 -4.044 0.101 4.774 1.00 0.00 C HETATM 270 O HYP A 15 -4.903 0.415 3.951 1.00 0.00 O HETATM 271 CB HYP A 15 -2.733 2.225 5.215 1.00 0.00 C HETATM 272 CG HYP A 15 -1.656 2.952 4.405 1.00 0.00 C HETATM 273 CD HYP A 15 -1.770 2.251 3.048 1.00 0.00 C HETATM 274 OD1 HYP A 15 -0.397 2.660 4.989 1.00 0.00 O HETATM 0 HD23 HYP A 15 -0.860 2.366 2.459 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -2.588 2.657 2.453 1.00 0.00 H new HETATM 0 HG HYP A 15 -1.761 4.036 4.353 1.00 0.00 H new HETATM 0 HD1 HYP A 15 0.310 3.114 4.485 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -3.722 2.646 5.031 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -2.547 2.305 6.286 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.051 0.105 5.370 1.00 0.00 H new ATOM 282 N SER A 16 -4.259 -0.675 5.826 1.00 0.00 N ATOM 283 CA SER A 16 -5.577 -1.229 6.089 1.00 0.00 C ATOM 284 C SER A 16 -6.074 -2.002 4.866 1.00 0.00 C ATOM 285 O SER A 16 -5.562 -1.890 3.750 1.00 0.00 O ATOM 286 CB SER A 16 -6.572 -0.128 6.462 1.00 0.00 C ATOM 287 OG SER A 16 -6.011 0.813 7.372 1.00 0.00 O ATOM 0 H SER A 16 -3.544 -0.933 6.506 1.00 0.00 H new ATOM 0 HA SER A 16 -5.498 -1.912 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.895 0.390 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.460 -0.577 6.907 1.00 0.00 H new ATOM 0 HG SER A 16 -6.677 1.500 7.584 1.00 0.00 H new HETATM 293 N HYP A 17 -7.143 -2.839 5.101 1.00 0.00 N HETATM 294 CA HYP A 17 -7.710 -3.742 4.081 1.00 0.00 C HETATM 295 C HYP A 17 -8.282 -3.066 2.812 1.00 0.00 C HETATM 296 O HYP A 17 -9.191 -2.242 2.903 1.00 0.00 O HETATM 297 CB HYP A 17 -8.822 -4.503 4.829 1.00 0.00 C HETATM 298 CG HYP A 17 -8.430 -4.387 6.305 1.00 0.00 C HETATM 299 CD HYP A 17 -7.869 -2.963 6.360 1.00 0.00 C HETATM 300 OD1 HYP A 17 -7.392 -5.319 6.556 1.00 0.00 O HETATM 0 HD23 HYP A 17 -7.212 -2.822 7.218 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -8.663 -2.221 6.441 1.00 0.00 H new HETATM 0 HG HYP A 17 -9.232 -4.574 7.019 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -7.122 -5.262 7.496 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -9.801 -4.063 4.641 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -8.875 -5.544 4.512 1.00 0.00 H new HETATM 0 HA HYP A 17 -6.913 -4.368 3.679 1.00 0.00 H new ATOM 308 N ASN A 18 -7.830 -3.561 1.669 1.00 0.00 N ATOM 309 CA ASN A 18 -8.397 -3.147 0.397 1.00 0.00 C ATOM 310 C ASN A 18 -9.825 -3.685 0.283 1.00 0.00 C ATOM 311 O ASN A 18 -10.793 -2.963 0.031 1.00 0.00 O ATOM 312 CB ASN A 18 -7.588 -3.704 -0.776 1.00 0.00 C ATOM 313 CG ASN A 18 -7.311 -2.616 -1.816 1.00 0.00 C ATOM 314 OD1 ASN A 18 -7.544 -1.439 -1.598 1.00 0.00 O ATOM 315 ND2 ASN A 18 -6.802 -3.076 -2.956 1.00 0.00 N ATOM 0 H ASN A 18 -7.077 -4.245 1.597 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.382 -2.058 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.645 -4.112 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.133 -4.526 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.582 -2.430 -3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.632 -4.075 -3.072 1.00 0.00 H new HETATM 322 N HYP A 19 -9.955 -5.042 0.482 1.00 0.00 N HETATM 323 CA HYP A 19 -11.228 -5.771 0.321 1.00 0.00 C HETATM 324 C HYP A 19 -12.411 -5.281 1.190 1.00 0.00 C HETATM 325 O HYP A 19 -12.474 -5.581 2.381 1.00 0.00 O HETATM 326 CB HYP A 19 -10.873 -7.229 0.675 1.00 0.00 C HETATM 327 CG HYP A 19 -9.359 -7.311 0.460 1.00 0.00 C HETATM 328 CD HYP A 19 -8.905 -5.936 0.959 1.00 0.00 C HETATM 329 OD1 HYP A 19 -9.121 -7.415 -0.934 1.00 0.00 O HETATM 0 HD23 HYP A 19 -7.930 -5.663 0.555 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -8.818 -5.911 2.045 1.00 0.00 H new HETATM 0 HG HYP A 19 -8.860 -8.146 0.952 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -8.156 -7.467 -1.098 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -11.142 -7.466 1.704 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -11.405 -7.934 0.036 1.00 0.00 H new HETATM 0 HA HYP A 19 -11.598 -5.619 -0.693 1.00 0.00 H new ATOM 337 N ARG A 20 -13.379 -4.675 0.517 1.00 0.00 N ATOM 338 CA ARG A 20 -14.626 -4.311 1.165 1.00 0.00 C ATOM 339 C ARG A 20 -14.356 -3.758 2.566 1.00 0.00 C ATOM 340 O ARG A 20 -14.913 -4.246 3.548 1.00 0.00 O ATOM 341 CB ARG A 20 -15.563 -5.515 1.272 1.00 0.00 C ATOM 342 CG ARG A 20 -16.825 -5.161 2.060 1.00 0.00 C ATOM 343 CD ARG A 20 -16.957 -6.035 3.309 1.00 0.00 C ATOM 344 NE ARG A 20 -18.358 -6.487 3.465 1.00 0.00 N ATOM 345 CZ ARG A 20 -18.852 -7.022 4.590 1.00 0.00 C ATOM 346 NH1 ARG A 20 -18.065 -7.176 5.662 1.00 0.00 N ATOM 347 NH2 ARG A 20 -20.136 -7.403 4.641 1.00 0.00 N ATOM 0 H ARG A 20 -13.324 -4.427 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.105 -3.545 0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.837 -5.856 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.045 -6.341 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.794 -4.110 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.702 -5.292 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.295 -6.897 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.647 -5.473 4.190 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.986 -6.385 2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.088 -6.886 5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.443 -7.583 6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.736 -7.286 3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.513 -7.810 5.497 1.00 0.00 H new ATOM 361 N ASP A 21 -13.499 -2.749 2.614 1.00 0.00 N ATOM 362 CA ASP A 21 -13.148 -2.125 3.878 1.00 0.00 C ATOM 363 C ASP A 21 -12.817 -0.651 3.641 1.00 0.00 C ATOM 364 O ASP A 21 -11.714 -0.321 3.204 1.00 0.00 O ATOM 365 CB ASP A 21 -11.919 -2.792 4.499 1.00 0.00 C ATOM 366 CG ASP A 21 -12.185 -4.140 5.172 1.00 0.00 C ATOM 367 OD1 ASP A 21 -12.870 -4.126 6.218 1.00 0.00 O ATOM 368 OD2 ASP A 21 -11.696 -5.153 4.627 1.00 0.00 O ATOM 0 H ASP A 21 -13.037 -2.348 1.798 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.997 -2.232 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.169 -2.933 3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.490 -2.113 5.236 1.00 0.00 H new ATOM 373 N LYS A 22 -13.790 0.197 3.937 1.00 0.00 N ATOM 374 CA LYS A 22 -13.615 1.629 3.760 1.00 0.00 C ATOM 375 C LYS A 22 -13.483 1.942 2.269 1.00 0.00 C ATOM 376 O LYS A 22 -13.143 3.063 1.894 1.00 0.00 O ATOM 377 CB LYS A 22 -12.440 2.133 4.601 1.00 0.00 C ATOM 378 CG LYS A 22 -12.808 2.181 6.085 1.00 0.00 C ATOM 379 CD LYS A 22 -13.590 3.452 6.416 1.00 0.00 C ATOM 380 CE LYS A 22 -15.041 3.126 6.775 1.00 0.00 C ATOM 381 NZ LYS A 22 -15.627 4.208 7.598 1.00 0.00 N ATOM 0 H LYS A 22 -14.703 -0.080 4.298 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.491 2.167 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.579 1.480 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.146 3.127 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.404 1.306 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.902 2.140 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.113 3.970 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.566 4.130 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.626 2.996 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.084 2.183 7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.612 3.971 7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.078 4.313 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.603 5.101 7.065 1.00 0.00 H new ATOM 395 N TRP A 23 -13.761 0.932 1.458 1.00 0.00 N ATOM 396 CA TRP A 23 -13.677 1.086 0.015 1.00 0.00 C ATOM 397 C TRP A 23 -14.672 2.171 -0.403 1.00 0.00 C ATOM 398 O TRP A 23 -15.310 2.792 0.445 1.00 0.00 O ATOM 399 CB TRP A 23 -13.917 -0.249 -0.693 1.00 0.00 C ATOM 400 CG TRP A 23 -15.158 -0.264 -1.589 1.00 0.00 C ATOM 401 CD1 TRP A 23 -16.442 -0.156 -1.221 1.00 0.00 C ATOM 402 CD2 TRP A 23 -15.179 -0.402 -3.025 1.00 0.00 C ATOM 403 NE1 TRP A 23 -17.286 -0.213 -2.311 1.00 0.00 N ATOM 404 CE2 TRP A 23 -16.494 -0.367 -3.443 1.00 0.00 C ATOM 405 CE3 TRP A 23 -14.123 -0.550 -3.941 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -16.874 -0.474 -4.786 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -14.520 -0.655 -5.279 1.00 0.00 C ATOM 408 CH2 TRP A 23 -15.839 -0.623 -5.717 1.00 0.00 C ATOM 0 H TRP A 23 -14.045 0.004 1.772 1.00 0.00 H new ATOM 0 HA TRP A 23 -12.676 1.398 -0.282 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -13.042 -0.491 -1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.013 -1.034 0.057 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.774 -0.039 -0.200 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -18.304 -0.153 -2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -13.087 -0.580 -3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -17.910 -0.443 -5.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -13.747 -0.769 -6.024 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -16.064 -0.713 -6.769 1.00 0.00 H new ATOM 419 N CYS A 24 -14.772 2.365 -1.709 1.00 0.00 N ATOM 420 CA CYS A 24 -15.677 3.365 -2.250 1.00 0.00 C ATOM 421 C CYS A 24 -15.144 4.749 -1.875 1.00 0.00 C ATOM 422 O CYS A 24 -15.914 5.639 -1.518 1.00 0.00 O ATOM 423 CB CYS A 24 -17.111 3.154 -1.759 1.00 0.00 C ATOM 424 SG CYS A 24 -18.345 4.297 -2.479 1.00 0.00 S ATOM 0 H CYS A 24 -14.241 1.847 -2.409 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.717 3.274 -3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -17.410 2.130 -1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -17.128 3.260 -0.674 1.00 0.00 H new ATOM 429 N ARG A 25 -13.830 4.887 -1.969 1.00 0.00 N ATOM 430 CA ARG A 25 -13.184 6.148 -1.644 1.00 0.00 C ATOM 431 C ARG A 25 -13.447 7.177 -2.746 1.00 0.00 C ATOM 432 O ARG A 25 -13.323 8.380 -2.518 1.00 0.00 O ATOM 433 CB ARG A 25 -11.675 5.966 -1.474 1.00 0.00 C ATOM 434 CG ARG A 25 -11.135 6.867 -0.362 1.00 0.00 C ATOM 435 CD ARG A 25 -9.808 7.509 -0.770 1.00 0.00 C ATOM 436 NE ARG A 25 -8.847 7.444 0.354 1.00 0.00 N ATOM 437 CZ ARG A 25 -8.958 8.162 1.479 1.00 0.00 C ATOM 438 NH1 ARG A 25 -9.988 9.004 1.638 1.00 0.00 N ATOM 439 NH2 ARG A 25 -8.039 8.038 2.446 1.00 0.00 N ATOM 0 H ARG A 25 -13.194 4.146 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.603 6.503 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.455 4.924 -1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.169 6.197 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.864 7.645 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.996 6.283 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.398 6.995 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.971 8.547 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.050 6.813 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.688 9.098 0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.072 9.551 2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.255 7.397 2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.123 8.585 3.303 1.00 0.00 H new ATOM 453 N LEU A 26 -13.804 6.667 -3.915 1.00 0.00 N ATOM 454 CA LEU A 26 -14.085 7.529 -5.052 1.00 0.00 C ATOM 455 C LEU A 26 -15.544 7.347 -5.474 1.00 0.00 C ATOM 456 O LEU A 26 -16.317 6.685 -4.783 1.00 0.00 O ATOM 457 CB LEU A 26 -13.082 7.271 -6.179 1.00 0.00 C ATOM 458 CG LEU A 26 -11.647 7.732 -5.916 1.00 0.00 C ATOM 459 CD1 LEU A 26 -11.551 9.259 -5.926 1.00 0.00 C ATOM 460 CD2 LEU A 26 -11.106 7.132 -4.617 1.00 0.00 C ATOM 0 H LEU A 26 -13.905 5.669 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.960 8.577 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.067 6.201 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.443 7.766 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.017 7.364 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.521 9.560 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.867 9.637 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.197 9.669 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.085 7.476 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.732 7.447 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.115 6.044 -4.687 1.00 0.00 H new ATOM 472 N ASN A 27 -15.877 7.948 -6.608 1.00 0.00 N ATOM 473 CA ASN A 27 -17.230 7.862 -7.130 1.00 0.00 C ATOM 474 C ASN A 27 -17.538 6.409 -7.498 1.00 0.00 C ATOM 475 O ASN A 27 -16.818 5.798 -8.285 1.00 0.00 O ATOM 476 CB ASN A 27 -17.389 8.712 -8.392 1.00 0.00 C ATOM 477 CG ASN A 27 -16.616 10.027 -8.267 1.00 0.00 C ATOM 478 OD1 ASN A 27 -16.309 10.496 -7.184 1.00 0.00 O ATOM 479 ND2 ASN A 27 -16.319 10.593 -9.434 1.00 0.00 N ATOM 0 H ASN A 27 -15.233 8.496 -7.179 1.00 0.00 H new ATOM 0 HA ASN A 27 -17.912 8.226 -6.361 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -17.030 8.155 -9.258 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.445 8.921 -8.563 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.804 11.473 -9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.606 10.147 -10.305 1.00 0.00 H new ATOM 486 N LEU A 28 -18.610 5.898 -6.911 1.00 0.00 N ATOM 487 CA LEU A 28 -19.023 4.528 -7.167 1.00 0.00 C ATOM 488 C LEU A 28 -20.050 4.514 -8.300 1.00 0.00 C ATOM 489 O LEU A 28 -20.190 5.494 -9.030 1.00 0.00 O ATOM 490 CB LEU A 28 -19.519 3.869 -5.878 1.00 0.00 C ATOM 491 CG LEU A 28 -19.182 2.386 -5.711 1.00 0.00 C ATOM 492 CD1 LEU A 28 -17.829 2.204 -5.021 1.00 0.00 C ATOM 493 CD2 LEU A 28 -20.304 1.647 -4.978 1.00 0.00 C ATOM 0 H LEU A 28 -19.206 6.408 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 28 -18.175 3.929 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.102 4.414 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -20.602 3.983 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 28 -19.099 1.942 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -17.615 1.141 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -17.049 2.674 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.858 2.668 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -20.039 0.595 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.444 2.086 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -21.229 1.733 -5.548 1.00 0.00 H new ATOM 505 N GLY A 29 -20.744 3.389 -8.413 1.00 0.00 N ATOM 506 CA GLY A 29 -21.754 3.234 -9.445 1.00 0.00 C ATOM 507 C GLY A 29 -22.768 2.154 -9.061 1.00 0.00 C ATOM 508 O GLY A 29 -23.702 2.346 -8.282 1.00 0.00 O ATOM 0 H GLY A 29 -20.626 2.577 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -22.269 4.182 -9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.277 2.971 -10.389 1.00 0.00 H new ATOM 512 N PRO A 30 -22.570 0.954 -9.643 1.00 0.00 N ATOM 513 CA PRO A 30 -23.548 -0.157 -9.507 1.00 0.00 C ATOM 514 C PRO A 30 -23.907 -0.636 -8.059 1.00 0.00 C ATOM 515 O PRO A 30 -23.619 -1.810 -7.839 1.00 0.00 O ATOM 516 CB PRO A 30 -22.890 -1.232 -10.402 1.00 0.00 C ATOM 517 CG PRO A 30 -21.387 -0.922 -10.394 1.00 0.00 C ATOM 518 CD PRO A 30 -21.311 0.605 -10.325 1.00 0.00 C ATOM 0 HA PRO A 30 -24.553 0.141 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -23.085 -2.233 -10.017 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -23.291 -1.196 -11.415 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -20.891 -1.383 -9.540 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -20.898 -1.304 -11.290 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -20.439 0.943 -9.766 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -21.248 1.054 -11.316 1.00 0.00 H new ATOM 526 N ALA A 31 -24.474 0.176 -7.178 1.00 0.00 N ATOM 527 CA ALA A 31 -24.808 -0.286 -5.841 1.00 0.00 C ATOM 528 C ALA A 31 -24.862 0.911 -4.891 1.00 0.00 C ATOM 529 O ALA A 31 -25.482 0.840 -3.831 1.00 0.00 O ATOM 530 CB ALA A 31 -23.788 -1.338 -5.396 1.00 0.00 C ATOM 0 H ALA A 31 -24.710 1.151 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 31 -25.790 -0.758 -5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.037 -1.685 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -23.809 -2.180 -6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -22.791 -0.898 -5.390 1.00 0.00 H new ATOM 536 N TRP A 32 -24.203 1.984 -5.304 1.00 0.00 N ATOM 537 CA TRP A 32 -24.169 3.196 -4.503 1.00 0.00 C ATOM 538 C TRP A 32 -24.468 4.381 -5.423 1.00 0.00 C ATOM 539 O TRP A 32 -25.217 4.245 -6.390 1.00 0.00 O ATOM 540 CB TRP A 32 -22.832 3.331 -3.770 1.00 0.00 C ATOM 541 CG TRP A 32 -22.960 3.818 -2.326 1.00 0.00 C ATOM 542 CD1 TRP A 32 -22.862 5.073 -1.866 1.00 0.00 C ATOM 543 CD2 TRP A 32 -23.217 3.003 -1.162 1.00 0.00 C ATOM 544 NE1 TRP A 32 -23.035 5.127 -0.498 1.00 0.00 N ATOM 545 CE2 TRP A 32 -23.258 3.827 -0.057 1.00 0.00 C ATOM 546 CE3 TRP A 32 -23.408 1.615 -1.049 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -23.488 3.358 1.241 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -23.637 1.161 0.255 1.00 0.00 C ATOM 549 CH2 TRP A 32 -23.682 1.977 1.379 1.00 0.00 C ATOM 0 H TRP A 32 -23.688 2.039 -6.183 1.00 0.00 H new ATOM 0 HA TRP A 32 -24.928 3.163 -3.722 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -22.329 2.364 -3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -22.196 4.024 -4.321 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -22.671 5.935 -2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -23.005 5.965 0.082 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -23.380 0.952 -1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -23.515 4.024 2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -23.790 0.101 0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -23.865 1.549 2.354 1.00 0.00 H new ATOM 560 N GLY A 33 -23.870 5.514 -5.090 1.00 0.00 N ATOM 561 CA GLY A 33 -24.063 6.722 -5.875 1.00 0.00 C ATOM 562 C GLY A 33 -24.209 7.946 -4.970 1.00 0.00 C ATOM 563 O GLY A 33 -24.999 7.936 -4.028 1.00 0.00 O ATOM 0 H GLY A 33 -23.251 5.622 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.217 6.862 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.952 6.617 -6.497 1.00 0.00 H new ATOM 567 N GLY A 34 -23.433 8.973 -5.288 1.00 0.00 N ATOM 568 CA GLY A 34 -23.465 10.202 -4.515 1.00 0.00 C ATOM 569 C GLY A 34 -22.543 10.110 -3.298 1.00 0.00 C ATOM 570 O GLY A 34 -22.956 9.648 -2.236 1.00 0.00 O ATOM 0 H GLY A 34 -22.779 8.978 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -23.161 11.039 -5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -24.485 10.403 -4.188 1.00 0.00 H new ATOM 574 N ARG A 35 -21.312 10.557 -3.493 1.00 0.00 N ATOM 575 CA ARG A 35 -20.327 10.531 -2.425 1.00 0.00 C ATOM 576 C ARG A 35 -20.325 9.163 -1.739 1.00 0.00 C ATOM 577 O ARG A 35 -21.047 8.257 -2.152 1.00 0.00 O ATOM 578 CB ARG A 35 -20.614 11.615 -1.385 1.00 0.00 C ATOM 579 CG ARG A 35 -21.639 11.131 -0.356 1.00 0.00 C ATOM 580 CD ARG A 35 -21.132 11.357 1.070 1.00 0.00 C ATOM 581 NE ARG A 35 -22.278 11.501 1.996 1.00 0.00 N ATOM 582 CZ ARG A 35 -22.170 11.487 3.332 1.00 0.00 C ATOM 583 NH1 ARG A 35 -20.968 11.334 3.905 1.00 0.00 N ATOM 584 NH2 ARG A 35 -23.263 11.624 4.094 1.00 0.00 N ATOM 0 H ARG A 35 -20.973 10.940 -4.376 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.350 10.720 -2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -19.689 11.893 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.987 12.511 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.581 11.660 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.842 10.071 -0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -20.506 10.520 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -20.509 12.251 1.106 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.207 11.618 1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -20.136 11.228 3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.885 11.323 4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.178 11.739 3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -23.181 11.613 5.111 1.00 0.00 H new ATOM 598 N CYS A 36 -19.505 9.058 -0.704 1.00 0.00 N ATOM 599 CA CYS A 36 -19.400 7.816 0.043 1.00 0.00 C ATOM 600 C CYS A 36 -18.904 8.144 1.453 1.00 0.00 C ATOM 601 O CYS A 36 -18.004 8.966 1.623 1.00 0.00 O ATOM 602 CB CYS A 36 -18.490 6.807 -0.661 1.00 0.00 C ATOM 603 SG CYS A 36 -19.128 5.092 -0.696 1.00 0.00 S ATOM 0 H CYS A 36 -18.907 9.812 -0.365 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.380 7.342 0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -18.326 7.140 -1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -17.519 6.808 -0.167 1.00 0.00 H new TER 608 CYS A 36