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+ -146:sc= 0.457 (180deg=0.0362) USER MOD Single : A 6 ASN : amide:sc= -0.982 K(o=-0.98,f=-4.3!) 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= -1.17 K(o=-1.2,f=-6.1!) 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= -0.212 X(o=-0.21,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 28.749 14.859 -15.913 1.00 0.00 N ATOM 2 CA TRP A 1 27.319 15.057 -15.753 1.00 0.00 C ATOM 3 C TRP A 1 26.681 13.695 -15.474 1.00 0.00 C ATOM 4 O TRP A 1 25.995 13.521 -14.467 1.00 0.00 O ATOM 5 CB TRP A 1 26.722 15.757 -16.976 1.00 0.00 C ATOM 6 CG TRP A 1 26.788 14.929 -18.261 1.00 0.00 C ATOM 7 CD1 TRP A 1 27.851 14.707 -19.046 1.00 0.00 C ATOM 8 CD2 TRP A 1 25.696 14.217 -18.881 1.00 0.00 C ATOM 9 NE1 TRP A 1 27.526 13.908 -20.122 1.00 0.00 N ATOM 10 CE2 TRP A 1 26.174 13.600 -20.019 1.00 0.00 C ATOM 11 CE3 TRP A 1 24.350 14.098 -18.494 1.00 0.00 C ATOM 12 CZ2 TRP A 1 25.372 12.821 -20.863 1.00 0.00 C ATOM 13 CZ3 TRP A 1 23.563 13.317 -19.347 1.00 0.00 C ATOM 14 CH2 TRP A 1 24.028 12.689 -20.497 1.00 0.00 C ATOM 0 H1 TRP A 1 29.258 15.686 -15.540 1.00 0.00 H new ATOM 0 H2 TRP A 1 29.042 14.008 -15.392 1.00 0.00 H new ATOM 0 H3 TRP A 1 28.972 14.741 -16.922 1.00 0.00 H new ATOM 0 HA TRP A 1 27.113 15.717 -14.910 1.00 0.00 H new ATOM 0 HB2 TRP A 1 25.681 16.004 -16.768 1.00 0.00 H new ATOM 0 HB3 TRP A 1 27.247 16.699 -17.135 1.00 0.00 H new ATOM 0 HD1 TRP A 1 28.838 15.104 -18.860 1.00 0.00 H new ATOM 0 HE1 TRP A 1 28.161 13.600 -20.858 1.00 0.00 H new ATOM 0 HE3 TRP A 1 23.955 14.572 -17.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 25.770 12.348 -21.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 22.520 13.193 -19.094 1.00 0.00 H new ATOM 0 HH2 TRP A 1 23.355 12.102 -21.105 1.00 0.00 H new ATOM 25 N GLU A 2 26.929 12.764 -16.382 1.00 0.00 N ATOM 26 CA GLU A 2 26.388 11.422 -16.247 1.00 0.00 C ATOM 27 C GLU A 2 26.695 10.865 -14.855 1.00 0.00 C ATOM 28 O GLU A 2 27.852 10.599 -14.530 1.00 0.00 O ATOM 29 CB GLU A 2 26.929 10.499 -17.339 1.00 0.00 C ATOM 30 CG GLU A 2 28.418 10.215 -17.130 1.00 0.00 C ATOM 31 CD GLU A 2 28.633 8.826 -16.528 1.00 0.00 C ATOM 32 OE1 GLU A 2 27.745 8.397 -15.759 1.00 0.00 O ATOM 33 OE2 GLU A 2 29.678 8.222 -16.851 1.00 0.00 O ATOM 0 H GLU A 2 27.498 12.912 -17.215 1.00 0.00 H new ATOM 0 HA GLU A 2 25.306 11.474 -16.367 1.00 0.00 H new ATOM 0 HB2 GLU A 2 26.373 9.562 -17.336 1.00 0.00 H new ATOM 0 HB3 GLU A 2 26.776 10.957 -18.316 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.943 10.287 -18.083 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.847 10.971 -16.472 1.00 0.00 H new ATOM 40 N TRP A 3 25.641 10.702 -14.071 1.00 0.00 N ATOM 41 CA TRP A 3 25.783 10.180 -12.722 1.00 0.00 C ATOM 42 C TRP A 3 24.699 9.122 -12.507 1.00 0.00 C ATOM 43 O TRP A 3 23.546 9.236 -12.924 1.00 0.00 O ATOM 44 CB TRP A 3 25.731 11.308 -11.689 1.00 0.00 C ATOM 45 CG TRP A 3 24.358 11.493 -11.040 1.00 0.00 C ATOM 46 CD1 TRP A 3 23.214 11.878 -11.623 1.00 0.00 C ATOM 47 CD2 TRP A 3 24.030 11.284 -9.650 1.00 0.00 C ATOM 48 NE1 TRP A 3 22.177 11.933 -10.714 1.00 0.00 N ATOM 49 CE2 TRP A 3 22.689 11.561 -9.476 1.00 0.00 C ATOM 50 CE3 TRP A 3 24.838 10.877 -8.575 1.00 0.00 C ATOM 51 CZ2 TRP A 3 22.038 11.458 -8.240 1.00 0.00 C ATOM 52 CZ3 TRP A 3 24.174 10.779 -7.347 1.00 0.00 C ATOM 53 CH2 TRP A 3 22.825 11.053 -7.156 1.00 0.00 C ATOM 0 H TRP A 3 24.683 10.922 -14.344 1.00 0.00 H new ATOM 0 HA TRP A 3 26.758 9.710 -12.591 1.00 0.00 H new ATOM 0 HB2 TRP A 3 26.466 11.107 -10.910 1.00 0.00 H new ATOM 0 HB3 TRP A 3 26.023 12.241 -12.170 1.00 0.00 H new ATOM 0 HD1 TRP A 3 23.116 12.115 -12.672 1.00 0.00 H new ATOM 0 HE1 TRP A 3 21.212 12.198 -10.914 1.00 0.00 H new ATOM 0 HE3 TRP A 3 25.889 10.657 -8.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 20.987 11.679 -8.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 24.750 10.469 -6.488 1.00 0.00 H new ATOM 0 HH2 TRP A 3 22.386 10.954 -6.174 1.00 0.00 H new ATOM 64 N PRO A 4 25.095 8.033 -11.819 1.00 0.00 N ATOM 65 CA PRO A 4 24.220 6.842 -11.657 1.00 0.00 C ATOM 66 C PRO A 4 22.879 7.029 -10.868 1.00 0.00 C ATOM 67 O PRO A 4 22.311 5.972 -10.599 1.00 0.00 O ATOM 68 CB PRO A 4 25.210 5.839 -11.026 1.00 0.00 C ATOM 69 CG PRO A 4 26.262 6.687 -10.299 1.00 0.00 C ATOM 70 CD PRO A 4 26.414 7.937 -11.167 1.00 0.00 C ATOM 0 HA PRO A 4 23.780 6.523 -12.602 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.700 5.171 -10.332 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.672 5.214 -11.790 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.938 6.942 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.207 6.152 -10.205 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.637 8.821 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.220 7.831 -11.894 1.00 0.00 H new ATOM 78 N TRP A 5 22.423 8.229 -10.543 1.00 0.00 N ATOM 79 CA TRP A 5 21.174 8.385 -9.817 1.00 0.00 C ATOM 80 C TRP A 5 21.126 7.315 -8.724 1.00 0.00 C ATOM 81 O TRP A 5 20.617 6.217 -8.946 1.00 0.00 O ATOM 82 CB TRP A 5 19.976 8.321 -10.767 1.00 0.00 C ATOM 83 CG TRP A 5 19.615 9.666 -11.402 1.00 0.00 C ATOM 84 CD1 TRP A 5 20.370 10.428 -12.206 1.00 0.00 C ATOM 85 CD2 TRP A 5 18.370 10.382 -11.253 1.00 0.00 C ATOM 86 NE1 TRP A 5 19.704 11.577 -12.584 1.00 0.00 N ATOM 87 CE2 TRP A 5 18.450 11.548 -11.985 1.00 0.00 C ATOM 88 CE3 TRP A 5 17.215 10.053 -10.521 1.00 0.00 C ATOM 89 CZ2 TRP A 5 17.408 12.480 -12.060 1.00 0.00 C ATOM 90 CZ3 TRP A 5 16.183 10.995 -10.606 1.00 0.00 C ATOM 91 CH2 TRP A 5 16.247 12.174 -11.339 1.00 0.00 C ATOM 0 H TRP A 5 22.896 9.104 -10.769 1.00 0.00 H new ATOM 0 HA TRP A 5 21.122 9.367 -9.347 1.00 0.00 H new ATOM 0 HB2 TRP A 5 20.190 7.603 -11.558 1.00 0.00 H new ATOM 0 HB3 TRP A 5 19.111 7.945 -10.221 1.00 0.00 H new ATOM 0 HD1 TRP A 5 21.372 10.175 -12.519 1.00 0.00 H new ATOM 0 HE1 TRP A 5 20.066 12.312 -13.191 1.00 0.00 H new ATOM 0 HE3 TRP A 5 17.131 9.146 -9.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 17.495 13.386 -12.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 15.272 10.791 -10.063 1.00 0.00 H new ATOM 0 HH2 TRP A 5 15.406 12.851 -11.353 1.00 0.00 H new ATOM 102 N ASN A 6 21.664 7.671 -7.567 1.00 0.00 N ATOM 103 CA ASN A 6 21.689 6.756 -6.440 1.00 0.00 C ATOM 104 C ASN A 6 20.342 6.809 -5.714 1.00 0.00 C ATOM 105 O ASN A 6 19.530 7.697 -5.971 1.00 0.00 O ATOM 106 CB ASN A 6 22.780 7.143 -5.439 1.00 0.00 C ATOM 107 CG ASN A 6 22.390 8.403 -4.663 1.00 0.00 C ATOM 108 OD1 ASN A 6 21.576 9.202 -5.095 1.00 0.00 O ATOM 109 ND2 ASN A 6 23.014 8.535 -3.496 1.00 0.00 N ATOM 0 H ASN A 6 22.086 8.582 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 6 21.890 5.756 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 6 22.949 6.321 -4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 6 23.719 7.312 -5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 6 22.822 9.343 -2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 6 23.685 7.829 -3.194 1.00 0.00 H new ATOM 116 N ARG A 7 20.148 5.848 -4.824 1.00 0.00 N ATOM 117 CA ARG A 7 18.914 5.774 -4.060 1.00 0.00 C ATOM 118 C ARG A 7 17.728 6.201 -4.927 1.00 0.00 C ATOM 119 O ARG A 7 17.374 7.379 -4.965 1.00 0.00 O ATOM 120 CB ARG A 7 18.979 6.668 -2.820 1.00 0.00 C ATOM 121 CG ARG A 7 18.430 5.941 -1.591 1.00 0.00 C ATOM 122 CD ARG A 7 18.326 6.888 -0.395 1.00 0.00 C ATOM 123 NE ARG A 7 17.066 6.639 0.342 1.00 0.00 N ATOM 124 CZ ARG A 7 15.852 6.988 -0.105 1.00 0.00 C ATOM 125 NH1 ARG A 7 15.727 7.605 -1.288 1.00 0.00 N ATOM 126 NH2 ARG A 7 14.765 6.721 0.630 1.00 0.00 N ATOM 0 H ARG A 7 20.824 5.114 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 7 18.782 4.740 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 7 20.011 6.969 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 7 18.407 7.579 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.448 5.527 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 7 19.079 5.102 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 7 19.179 6.744 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 7 18.359 7.923 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 7 17.126 6.172 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.555 7.808 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.803 7.871 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.861 6.252 1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.841 6.987 0.289 1.00 0.00 H new ATOM 140 N LYS A 8 17.144 5.221 -5.601 1.00 0.00 N ATOM 141 CA LYS A 8 16.005 5.481 -6.464 1.00 0.00 C ATOM 142 C LYS A 8 14.739 4.924 -5.811 1.00 0.00 C ATOM 143 O LYS A 8 14.765 4.072 -4.919 1.00 0.00 O ATOM 144 CB LYS A 8 16.262 4.935 -7.869 1.00 0.00 C ATOM 145 CG LYS A 8 16.308 6.068 -8.898 1.00 0.00 C ATOM 146 CD LYS A 8 17.115 5.657 -10.130 1.00 0.00 C ATOM 147 CE LYS A 8 16.381 4.582 -10.934 1.00 0.00 C ATOM 148 NZ LYS A 8 16.584 4.788 -12.384 1.00 0.00 N ATOM 0 H LYS A 8 17.439 4.245 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 8 15.857 6.554 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.204 4.387 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.478 4.227 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.294 6.335 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.752 6.956 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.293 6.529 -10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.091 5.282 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.743 3.595 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.316 4.611 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.079 4.049 -12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.217 5.722 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.599 4.738 -12.603 1.00 0.00 H new HETATM 162 N HYP A 9 13.557 5.444 -6.293 1.00 0.00 N HETATM 163 CA HYP A 9 12.232 5.113 -5.734 1.00 0.00 C HETATM 164 C HYP A 9 11.851 3.614 -5.722 1.00 0.00 C HETATM 165 O HYP A 9 11.889 2.955 -6.760 1.00 0.00 O HETATM 166 CB HYP A 9 11.245 5.910 -6.609 1.00 0.00 C HETATM 167 CG HYP A 9 12.094 7.035 -7.206 1.00 0.00 C HETATM 168 CD HYP A 9 13.422 6.315 -7.457 1.00 0.00 C HETATM 169 OD1 HYP A 9 12.269 8.027 -6.208 1.00 0.00 O HETATM 0 HD23 HYP A 9 14.252 7.017 -7.532 1.00 0.00 H new HETATM 0 HD22 HYP A 9 13.401 5.745 -8.386 1.00 0.00 H new HETATM 0 HG HYP A 9 11.679 7.516 -8.091 1.00 0.00 H new HETATM 0 HD1 HYP A 9 12.813 8.759 -6.567 1.00 0.00 H new HETATM 0 HB3 HYP A 9 10.809 5.284 -7.388 1.00 0.00 H new HETATM 0 HB2 HYP A 9 10.419 6.306 -6.018 1.00 0.00 H new HETATM 0 HA HYP A 9 12.219 5.370 -4.675 1.00 0.00 H new ATOM 177 N THR A 10 11.350 3.178 -4.576 1.00 0.00 N ATOM 178 CA THR A 10 10.790 1.842 -4.463 1.00 0.00 C ATOM 179 C THR A 10 9.288 1.914 -4.188 1.00 0.00 C ATOM 180 O THR A 10 8.729 3.002 -4.055 1.00 0.00 O ATOM 181 CB THR A 10 11.570 1.093 -3.381 1.00 0.00 C ATOM 182 OG1 THR A 10 12.934 1.248 -3.765 1.00 0.00 O ATOM 183 CG2 THR A 10 11.339 -0.419 -3.432 1.00 0.00 C ATOM 0 H THR A 10 11.320 3.727 -3.717 1.00 0.00 H new ATOM 0 HA THR A 10 10.891 1.291 -5.398 1.00 0.00 H new ATOM 0 HB THR A 10 11.282 1.471 -2.400 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.510 0.793 -3.116 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.916 -0.902 -2.643 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.279 -0.630 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.657 -0.803 -4.401 1.00 0.00 H new ATOM 191 N LYS A 11 8.675 0.742 -4.111 1.00 0.00 N ATOM 192 CA LYS A 11 7.247 0.659 -3.854 1.00 0.00 C ATOM 193 C LYS A 11 7.017 0.306 -2.383 1.00 0.00 C ATOM 194 O LYS A 11 7.887 -0.278 -1.738 1.00 0.00 O ATOM 195 CB LYS A 11 6.583 -0.313 -4.831 1.00 0.00 C ATOM 196 CG LYS A 11 5.061 -0.152 -4.816 1.00 0.00 C ATOM 197 CD LYS A 11 4.479 -0.310 -6.222 1.00 0.00 C ATOM 198 CE LYS A 11 3.765 -1.655 -6.371 1.00 0.00 C ATOM 199 NZ LYS A 11 4.571 -2.579 -7.199 1.00 0.00 N ATOM 0 H LYS A 11 9.141 -0.158 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 11 6.772 1.624 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.961 -0.137 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.847 -1.337 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.620 -0.894 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.799 0.829 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.780 0.501 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.277 -0.234 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.593 -2.093 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.787 -1.506 -6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.073 -3.487 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.713 -2.165 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.494 -2.735 -6.747 1.00 0.00 H new ATOM 213 N PHE A 12 5.841 0.675 -1.896 1.00 0.00 N ATOM 214 CA PHE A 12 5.487 0.404 -0.514 1.00 0.00 C ATOM 215 C PHE A 12 4.210 -0.433 -0.429 1.00 0.00 C ATOM 216 O PHE A 12 3.497 -0.667 -1.409 1.00 0.00 O ATOM 217 CB PHE A 12 5.240 1.757 0.158 1.00 0.00 C ATOM 218 CG PHE A 12 4.643 2.814 -0.773 1.00 0.00 C ATOM 219 CD1 PHE A 12 3.352 2.703 -1.188 1.00 0.00 C ATOM 220 CD2 PHE A 12 5.402 3.865 -1.185 1.00 0.00 C ATOM 221 CE1 PHE A 12 2.798 3.685 -2.051 1.00 0.00 C ATOM 222 CE2 PHE A 12 4.847 4.846 -2.050 1.00 0.00 C ATOM 223 CZ PHE A 12 3.556 4.735 -2.464 1.00 0.00 C ATOM 0 H PHE A 12 5.122 1.159 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 12 6.288 -0.153 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.569 1.613 1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.183 2.130 0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.749 1.869 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.426 3.954 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.773 3.598 -2.380 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.450 5.680 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.133 5.481 -3.121 1.00 0.00 H new HETATM 233 N HYP A 13 3.909 -0.912 0.828 1.00 0.00 N HETATM 234 CA HYP A 13 2.776 -1.818 1.105 1.00 0.00 C HETATM 235 C HYP A 13 1.366 -1.265 0.787 1.00 0.00 C HETATM 236 O HYP A 13 1.056 -0.123 1.125 1.00 0.00 O HETATM 237 CB HYP A 13 2.903 -2.128 2.610 1.00 0.00 C HETATM 238 CG HYP A 13 4.373 -1.843 2.929 1.00 0.00 C HETATM 239 CD HYP A 13 4.646 -0.619 2.051 1.00 0.00 C HETATM 240 OD1 HYP A 13 5.142 -2.942 2.468 1.00 0.00 O HETATM 0 HD23 HYP A 13 5.711 -0.492 1.858 1.00 0.00 H new HETATM 0 HD22 HYP A 13 4.296 0.300 2.521 1.00 0.00 H new HETATM 0 HG HYP A 13 4.601 -1.689 3.984 1.00 0.00 H new HETATM 0 HD1 HYP A 13 6.090 -2.782 2.660 1.00 0.00 H new HETATM 0 HB3 HYP A 13 2.238 -1.501 3.203 1.00 0.00 H new HETATM 0 HB2 HYP A 13 2.642 -3.164 2.827 1.00 0.00 H new HETATM 0 HA HYP A 13 2.845 -2.685 0.448 1.00 0.00 H new ATOM 248 N ILE A 14 0.522 -2.156 0.289 1.00 0.00 N ATOM 249 CA ILE A 14 -0.881 -1.833 0.100 1.00 0.00 C ATOM 250 C ILE A 14 -1.595 -1.864 1.453 1.00 0.00 C ATOM 251 O ILE A 14 -1.428 -2.767 2.277 1.00 0.00 O ATOM 252 CB ILE A 14 -1.508 -2.757 -0.946 1.00 0.00 C ATOM 253 CG1 ILE A 14 -0.483 -3.155 -2.011 1.00 0.00 C ATOM 254 CG2 ILE A 14 -2.757 -2.121 -1.562 1.00 0.00 C ATOM 255 CD1 ILE A 14 0.001 -4.590 -1.796 1.00 0.00 C ATOM 0 H ILE A 14 0.783 -3.102 0.011 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.988 -0.823 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.826 -3.672 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.928 -3.062 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.366 -2.472 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.183 -2.798 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.492 -1.930 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.487 -1.181 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.728 -4.848 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.467 -4.674 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.847 -5.273 -1.855 1.00 0.00 H new HETATM 267 N HYP A 15 -2.444 -0.805 1.688 1.00 0.00 N HETATM 268 CA HYP A 15 -3.152 -0.596 2.968 1.00 0.00 C HETATM 269 C HYP A 15 -3.824 -1.845 3.587 1.00 0.00 C HETATM 270 O HYP A 15 -4.187 -2.775 2.869 1.00 0.00 O HETATM 271 CB HYP A 15 -4.210 0.476 2.641 1.00 0.00 C HETATM 272 CG HYP A 15 -3.661 1.178 1.396 1.00 0.00 C HETATM 273 CD HYP A 15 -3.039 0.006 0.633 1.00 0.00 C HETATM 274 OD1 HYP A 15 -2.643 2.073 1.811 1.00 0.00 O HETATM 0 HD23 HYP A 15 -2.291 0.345 -0.084 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -3.789 -0.552 0.072 1.00 0.00 H new HETATM 0 HG HYP A 15 -4.391 1.743 0.817 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -2.274 2.534 1.029 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -5.185 0.028 2.448 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -4.338 1.174 3.468 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.429 -0.311 3.732 1.00 0.00 H new ATOM 282 N SER A 16 -4.100 -1.740 4.879 1.00 0.00 N ATOM 283 CA SER A 16 -4.882 -2.759 5.561 1.00 0.00 C ATOM 284 C SER A 16 -6.298 -2.802 4.987 1.00 0.00 C ATOM 285 O SER A 16 -6.838 -3.847 4.616 1.00 0.00 O ATOM 286 CB SER A 16 -4.927 -2.500 7.068 1.00 0.00 C ATOM 287 OG SER A 16 -4.758 -3.698 7.821 1.00 0.00 O ATOM 0 H SER A 16 -3.797 -0.967 5.471 1.00 0.00 H new ATOM 0 HA SER A 16 -4.403 -3.724 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.146 -1.789 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.880 -2.040 7.328 1.00 0.00 H new ATOM 0 HG SER A 16 -4.791 -3.490 8.778 1.00 0.00 H new HETATM 293 N HYP A 17 -6.935 -1.583 4.913 1.00 0.00 N HETATM 294 CA HYP A 17 -8.338 -1.420 4.481 1.00 0.00 C HETATM 295 C HYP A 17 -8.665 -1.875 3.039 1.00 0.00 C HETATM 296 O HYP A 17 -8.249 -1.234 2.075 1.00 0.00 O HETATM 297 CB HYP A 17 -8.606 0.090 4.640 1.00 0.00 C HETATM 298 CG HYP A 17 -7.558 0.555 5.654 1.00 0.00 C HETATM 299 CD HYP A 17 -6.347 -0.291 5.249 1.00 0.00 C HETATM 300 OD1 HYP A 17 -7.998 0.171 6.946 1.00 0.00 O HETATM 0 HD23 HYP A 17 -5.626 -0.377 6.062 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -5.819 0.143 4.400 1.00 0.00 H new HETATM 0 HG HYP A 17 -7.363 1.627 5.669 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -7.341 0.457 7.614 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -8.501 0.615 3.690 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -9.618 0.279 4.999 1.00 0.00 H new HETATM 0 HA HYP A 17 -8.974 -2.067 5.085 1.00 0.00 H new ATOM 308 N ASN A 18 -9.528 -2.877 2.957 1.00 0.00 N ATOM 309 CA ASN A 18 -10.062 -3.302 1.675 1.00 0.00 C ATOM 310 C ASN A 18 -11.516 -2.842 1.554 1.00 0.00 C ATOM 311 O ASN A 18 -12.156 -2.388 2.507 1.00 0.00 O ATOM 312 CB ASN A 18 -10.036 -4.825 1.545 1.00 0.00 C ATOM 313 CG ASN A 18 -8.877 -5.281 0.657 1.00 0.00 C ATOM 314 OD1 ASN A 18 -8.905 -5.161 -0.556 1.00 0.00 O ATOM 315 ND2 ASN A 18 -7.857 -5.810 1.328 1.00 0.00 N ATOM 0 H ASN A 18 -9.871 -3.407 3.758 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.445 -2.863 0.891 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.941 -5.276 2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.979 -5.174 1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.035 -6.144 0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.897 -5.881 2.345 1.00 0.00 H new HETATM 322 N HYP A 19 -12.066 -2.971 0.297 1.00 0.00 N HETATM 323 CA HYP A 19 -13.420 -2.497 -0.052 1.00 0.00 C HETATM 324 C HYP A 19 -14.580 -3.048 0.811 1.00 0.00 C HETATM 325 O HYP A 19 -15.047 -4.163 0.585 1.00 0.00 O HETATM 326 CB HYP A 19 -13.598 -2.922 -1.523 1.00 0.00 C HETATM 327 CG HYP A 19 -12.168 -3.088 -2.044 1.00 0.00 C HETATM 328 CD HYP A 19 -11.467 -3.689 -0.822 1.00 0.00 C HETATM 329 OD1 HYP A 19 -11.646 -1.796 -2.306 1.00 0.00 O HETATM 0 HD23 HYP A 19 -10.388 -3.540 -0.864 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -11.638 -4.763 -0.748 1.00 0.00 H new HETATM 0 HG HYP A 19 -12.065 -3.684 -2.951 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -10.728 -1.876 -2.640 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -14.161 -3.852 -1.603 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -14.144 -2.169 -2.091 1.00 0.00 H new HETATM 0 HA HYP A 19 -13.478 -1.424 0.128 1.00 0.00 H new ATOM 337 N ARG A 20 -15.097 -2.176 1.664 1.00 0.00 N ATOM 338 CA ARG A 20 -16.298 -2.491 2.419 1.00 0.00 C ATOM 339 C ARG A 20 -16.284 -3.959 2.851 1.00 0.00 C ATOM 340 O ARG A 20 -17.337 -4.581 2.980 1.00 0.00 O ATOM 341 CB ARG A 20 -17.556 -2.222 1.592 1.00 0.00 C ATOM 342 CG ARG A 20 -18.819 -2.552 2.390 1.00 0.00 C ATOM 343 CD ARG A 20 -19.865 -1.445 2.244 1.00 0.00 C ATOM 344 NE ARG A 20 -20.883 -1.839 1.245 1.00 0.00 N ATOM 345 CZ ARG A 20 -21.825 -2.767 1.459 1.00 0.00 C ATOM 346 NH1 ARG A 20 -21.885 -3.403 2.638 1.00 0.00 N ATOM 347 NH2 ARG A 20 -22.708 -3.060 0.494 1.00 0.00 N ATOM 0 H ARG A 20 -14.707 -1.252 1.849 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.313 -1.849 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.578 -1.176 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.531 -2.820 0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.235 -3.498 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.565 -2.681 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.342 -1.255 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.383 -0.516 1.938 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.866 -1.375 0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.213 -3.180 3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.603 -4.110 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.662 -2.576 -0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.425 -3.767 0.657 1.00 0.00 H new ATOM 361 N ASP A 21 -15.080 -4.469 3.063 1.00 0.00 N ATOM 362 CA ASP A 21 -14.915 -5.852 3.477 1.00 0.00 C ATOM 363 C ASP A 21 -15.289 -5.986 4.954 1.00 0.00 C ATOM 364 O ASP A 21 -14.478 -5.696 5.832 1.00 0.00 O ATOM 365 CB ASP A 21 -13.463 -6.306 3.314 1.00 0.00 C ATOM 366 CG ASP A 21 -13.017 -6.543 1.870 1.00 0.00 C ATOM 367 OD1 ASP A 21 -13.801 -6.178 0.967 1.00 0.00 O ATOM 368 OD2 ASP A 21 -11.904 -7.084 1.701 1.00 0.00 O ATOM 0 H ASP A 21 -14.209 -3.949 2.956 1.00 0.00 H new ATOM 0 HA ASP A 21 -15.559 -6.470 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.811 -5.555 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.321 -7.228 3.878 1.00 0.00 H new ATOM 373 N LYS A 22 -16.519 -6.424 5.183 1.00 0.00 N ATOM 374 CA LYS A 22 -17.010 -6.600 6.538 1.00 0.00 C ATOM 375 C LYS A 22 -16.725 -5.333 7.348 1.00 0.00 C ATOM 376 O LYS A 22 -16.653 -5.379 8.574 1.00 0.00 O ATOM 377 CB LYS A 22 -16.428 -7.871 7.159 1.00 0.00 C ATOM 378 CG LYS A 22 -17.458 -9.001 7.161 1.00 0.00 C ATOM 379 CD LYS A 22 -17.050 -10.113 8.131 1.00 0.00 C ATOM 380 CE LYS A 22 -17.459 -11.487 7.593 1.00 0.00 C ATOM 381 NZ LYS A 22 -18.916 -11.692 7.751 1.00 0.00 N ATOM 0 H LYS A 22 -17.189 -6.662 4.452 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.091 -6.741 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.544 -8.181 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.105 -7.666 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.434 -8.607 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.557 -9.409 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.972 -10.086 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.518 -9.944 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.186 -11.568 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.916 -12.269 8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.177 -12.628 7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.167 -11.635 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.429 -10.957 7.224 1.00 0.00 H new ATOM 395 N TRP A 23 -16.571 -4.231 6.627 1.00 0.00 N ATOM 396 CA TRP A 23 -16.295 -2.954 7.263 1.00 0.00 C ATOM 397 C TRP A 23 -17.345 -2.732 8.354 1.00 0.00 C ATOM 398 O TRP A 23 -18.316 -3.482 8.447 1.00 0.00 O ATOM 399 CB TRP A 23 -16.257 -1.825 6.232 1.00 0.00 C ATOM 400 CG TRP A 23 -17.403 -0.821 6.365 1.00 0.00 C ATOM 401 CD1 TRP A 23 -18.689 -0.988 6.031 1.00 0.00 C ATOM 402 CD2 TRP A 23 -17.313 0.522 6.888 1.00 0.00 C ATOM 403 NE1 TRP A 23 -19.433 0.145 6.297 1.00 0.00 N ATOM 404 CE2 TRP A 23 -18.569 1.091 6.835 1.00 0.00 C ATOM 405 CE3 TRP A 23 -16.207 1.231 7.389 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -18.838 2.395 7.267 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -16.493 2.534 7.817 1.00 0.00 C ATOM 408 CH2 TRP A 23 -17.752 3.121 7.770 1.00 0.00 C ATOM 0 H TRP A 23 -16.632 -4.197 5.609 1.00 0.00 H new ATOM 0 HA TRP A 23 -15.308 -2.959 7.726 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.310 -1.294 6.325 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -16.282 -2.259 5.232 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -19.094 -1.895 5.607 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -20.432 0.265 6.129 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.216 0.805 7.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.830 2.818 7.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.678 3.123 8.211 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.892 4.133 8.120 1.00 0.00 H new ATOM 419 N CYS A 24 -17.115 -1.699 9.152 1.00 0.00 N ATOM 420 CA CYS A 24 -18.028 -1.370 10.232 1.00 0.00 C ATOM 421 C CYS A 24 -17.322 -0.398 11.179 1.00 0.00 C ATOM 422 O CYS A 24 -16.663 -0.819 12.128 1.00 0.00 O ATOM 423 CB CYS A 24 -18.519 -2.622 10.960 1.00 0.00 C ATOM 424 SG CYS A 24 -20.312 -2.951 10.800 1.00 0.00 S ATOM 0 H CYS A 24 -16.309 -1.079 9.071 1.00 0.00 H new ATOM 0 HA CYS A 24 -18.920 -0.895 9.825 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -17.971 -3.484 10.580 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -18.274 -2.529 12.018 1.00 0.00 H new ATOM 429 N ARG A 25 -17.483 0.886 10.888 1.00 0.00 N ATOM 430 CA ARG A 25 -16.869 1.921 11.702 1.00 0.00 C ATOM 431 C ARG A 25 -17.371 1.829 13.145 1.00 0.00 C ATOM 432 O ARG A 25 -16.687 2.261 14.071 1.00 0.00 O ATOM 433 CB ARG A 25 -17.180 3.313 11.149 1.00 0.00 C ATOM 434 CG ARG A 25 -16.025 4.280 11.419 1.00 0.00 C ATOM 435 CD ARG A 25 -16.279 5.094 12.690 1.00 0.00 C ATOM 436 NE ARG A 25 -15.035 5.195 13.483 1.00 0.00 N ATOM 437 CZ ARG A 25 -14.841 6.083 14.468 1.00 0.00 C ATOM 438 NH1 ARG A 25 -15.811 6.951 14.788 1.00 0.00 N ATOM 439 NH2 ARG A 25 -13.679 6.103 15.135 1.00 0.00 N ATOM 0 H ARG A 25 -18.030 1.232 10.100 1.00 0.00 H new ATOM 0 HA ARG A 25 -15.790 1.766 11.678 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.363 3.250 10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -18.093 3.694 11.606 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.094 3.722 11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.903 4.953 10.570 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.635 6.090 12.428 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.061 4.622 13.284 1.00 0.00 H new ATOM 0 HE ARG A 25 -14.277 4.548 13.267 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.696 6.936 14.282 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.664 7.627 15.538 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -12.941 5.442 14.893 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.533 6.779 15.884 1.00 0.00 H new ATOM 453 N LEU A 26 -18.560 1.262 13.289 1.00 0.00 N ATOM 454 CA LEU A 26 -19.161 1.108 14.602 1.00 0.00 C ATOM 455 C LEU A 26 -18.997 -0.341 15.067 1.00 0.00 C ATOM 456 O LEU A 26 -18.031 -1.009 14.701 1.00 0.00 O ATOM 457 CB LEU A 26 -20.613 1.589 14.588 1.00 0.00 C ATOM 458 CG LEU A 26 -20.870 2.923 13.884 1.00 0.00 C ATOM 459 CD1 LEU A 26 -22.334 3.044 13.455 1.00 0.00 C ATOM 460 CD2 LEU A 26 -20.430 4.098 14.759 1.00 0.00 C ATOM 0 H LEU A 26 -19.123 0.904 12.518 1.00 0.00 H new ATOM 0 HA LEU A 26 -18.649 1.737 15.330 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.224 0.824 14.109 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.957 1.672 15.619 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.266 2.953 12.977 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -22.489 4.001 12.957 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -22.580 2.234 12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -22.977 2.983 14.333 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -20.624 5.034 14.235 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.988 4.084 15.695 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.364 4.015 14.971 1.00 0.00 H new ATOM 472 N ASN A 27 -19.957 -0.785 15.865 1.00 0.00 N ATOM 473 CA ASN A 27 -19.932 -2.142 16.383 1.00 0.00 C ATOM 474 C ASN A 27 -19.408 -3.087 15.300 1.00 0.00 C ATOM 475 O ASN A 27 -20.157 -3.502 14.418 1.00 0.00 O ATOM 476 CB ASN A 27 -21.336 -2.607 16.776 1.00 0.00 C ATOM 477 CG ASN A 27 -22.018 -1.583 17.686 1.00 0.00 C ATOM 478 OD1 ASN A 27 -22.718 -0.688 17.240 1.00 0.00 O ATOM 479 ND2 ASN A 27 -21.775 -1.762 18.981 1.00 0.00 N ATOM 0 H ASN A 27 -20.757 -0.229 16.165 1.00 0.00 H new ATOM 0 HA ASN A 27 -19.288 -2.156 17.262 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -21.937 -2.759 15.879 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -21.275 -3.568 17.286 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -22.184 -1.130 19.669 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -21.180 -2.532 19.287 1.00 0.00 H new ATOM 486 N LEU A 28 -18.124 -3.398 15.402 1.00 0.00 N ATOM 487 CA LEU A 28 -17.491 -4.286 14.442 1.00 0.00 C ATOM 488 C LEU A 28 -18.152 -5.665 14.515 1.00 0.00 C ATOM 489 O LEU A 28 -19.300 -5.784 14.938 1.00 0.00 O ATOM 490 CB LEU A 28 -15.977 -4.318 14.659 1.00 0.00 C ATOM 491 CG LEU A 28 -15.116 -4.281 13.394 1.00 0.00 C ATOM 492 CD1 LEU A 28 -15.957 -4.577 12.151 1.00 0.00 C ATOM 493 CD2 LEU A 28 -14.370 -2.951 13.278 1.00 0.00 C ATOM 0 H LEU A 28 -17.505 -3.051 16.135 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.637 -3.916 13.427 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -15.702 -3.470 15.286 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.729 -5.221 15.217 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.364 -5.066 13.469 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.322 -4.545 11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.404 -5.567 12.241 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.746 -3.830 12.059 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.766 -2.951 12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.089 -2.133 13.235 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.723 -2.820 14.145 1.00 0.00 H new ATOM 505 N GLY A 29 -17.397 -6.670 14.096 1.00 0.00 N ATOM 506 CA GLY A 29 -17.896 -8.035 14.109 1.00 0.00 C ATOM 507 C GLY A 29 -16.767 -9.028 14.392 1.00 0.00 C ATOM 508 O GLY A 29 -16.077 -9.001 15.413 1.00 0.00 O ATOM 0 H GLY A 29 -16.445 -6.567 13.746 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.672 -8.135 14.868 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.357 -8.267 13.149 1.00 0.00 H new ATOM 512 N PRO A 30 -16.570 -9.955 13.434 1.00 0.00 N ATOM 513 CA PRO A 30 -15.626 -11.088 13.615 1.00 0.00 C ATOM 514 C PRO A 30 -14.128 -10.744 13.922 1.00 0.00 C ATOM 515 O PRO A 30 -13.341 -11.639 13.619 1.00 0.00 O ATOM 516 CB PRO A 30 -15.856 -11.872 12.303 1.00 0.00 C ATOM 517 CG PRO A 30 -16.337 -10.838 11.276 1.00 0.00 C ATOM 518 CD PRO A 30 -17.169 -9.847 12.092 1.00 0.00 C ATOM 0 HA PRO A 30 -15.828 -11.648 14.528 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.937 -12.355 11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.598 -12.659 12.443 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.497 -10.344 10.787 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.933 -11.305 10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.097 -8.834 11.696 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -18.226 -10.113 12.097 1.00 0.00 H new ATOM 526 N ALA A 31 -13.775 -9.587 14.463 1.00 0.00 N ATOM 527 CA ALA A 31 -12.383 -9.286 14.747 1.00 0.00 C ATOM 528 C ALA A 31 -12.307 -8.088 15.694 1.00 0.00 C ATOM 529 O ALA A 31 -11.309 -7.367 15.713 1.00 0.00 O ATOM 530 CB ALA A 31 -11.636 -9.039 13.435 1.00 0.00 C ATOM 0 H ALA A 31 -14.430 -8.846 14.712 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.902 -10.129 15.243 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.591 -8.813 13.648 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.694 -9.930 12.810 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.090 -8.198 12.911 1.00 0.00 H new ATOM 536 N TRP A 32 -13.375 -7.910 16.460 1.00 0.00 N ATOM 537 CA TRP A 32 -13.441 -6.810 17.408 1.00 0.00 C ATOM 538 C TRP A 32 -14.272 -7.271 18.607 1.00 0.00 C ATOM 539 O TRP A 32 -14.202 -8.432 19.007 1.00 0.00 O ATOM 540 CB TRP A 32 -13.995 -5.549 16.745 1.00 0.00 C ATOM 541 CG TRP A 32 -13.284 -4.260 17.167 1.00 0.00 C ATOM 542 CD1 TRP A 32 -13.247 -3.698 18.383 1.00 0.00 C ATOM 543 CD2 TRP A 32 -12.504 -3.393 16.318 1.00 0.00 C ATOM 544 NE1 TRP A 32 -12.504 -2.536 18.380 1.00 0.00 N ATOM 545 CE2 TRP A 32 -12.037 -2.344 17.085 1.00 0.00 C ATOM 546 CE3 TRP A 32 -12.202 -3.489 14.949 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -11.241 -1.314 16.571 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -11.406 -2.452 14.450 1.00 0.00 C ATOM 549 CH2 TRP A 32 -10.928 -1.389 15.209 1.00 0.00 C ATOM 0 H TRP A 32 -14.201 -8.509 16.443 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.445 -6.540 17.758 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.919 -5.656 15.663 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -15.055 -5.462 16.983 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -13.737 -4.104 19.256 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.329 -1.929 19.181 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -12.557 -4.300 14.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.887 -0.505 17.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.145 -2.479 13.402 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.318 -0.625 14.750 1.00 0.00 H new ATOM 560 N GLY A 33 -15.040 -6.337 19.148 1.00 0.00 N ATOM 561 CA GLY A 33 -15.883 -6.631 20.294 1.00 0.00 C ATOM 562 C GLY A 33 -17.217 -5.888 20.198 1.00 0.00 C ATOM 563 O GLY A 33 -17.256 -4.661 20.286 1.00 0.00 O ATOM 0 H GLY A 33 -15.096 -5.375 18.813 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.064 -7.704 20.351 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.369 -6.345 21.211 1.00 0.00 H new ATOM 567 N GLY A 34 -18.278 -6.662 20.021 1.00 0.00 N ATOM 568 CA GLY A 34 -19.610 -6.092 19.912 1.00 0.00 C ATOM 569 C GLY A 34 -20.482 -6.913 18.959 1.00 0.00 C ATOM 570 O GLY A 34 -20.938 -7.999 19.311 1.00 0.00 O ATOM 0 H GLY A 34 -18.242 -7.679 19.950 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.076 -6.056 20.897 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.542 -5.065 19.554 1.00 0.00 H new ATOM 574 N ARG A 35 -20.687 -6.361 17.772 1.00 0.00 N ATOM 575 CA ARG A 35 -21.495 -7.028 16.766 1.00 0.00 C ATOM 576 C ARG A 35 -21.790 -6.076 15.606 1.00 0.00 C ATOM 577 O ARG A 35 -22.188 -4.932 15.822 1.00 0.00 O ATOM 578 CB ARG A 35 -22.816 -7.522 17.360 1.00 0.00 C ATOM 579 CG ARG A 35 -22.962 -9.036 17.189 1.00 0.00 C ATOM 580 CD ARG A 35 -24.014 -9.368 16.129 1.00 0.00 C ATOM 581 NE ARG A 35 -23.799 -10.739 15.614 1.00 0.00 N ATOM 582 CZ ARG A 35 -22.827 -11.075 14.755 1.00 0.00 C ATOM 583 NH1 ARG A 35 -21.975 -10.142 14.309 1.00 0.00 N ATOM 584 NH2 ARG A 35 -22.707 -12.343 14.342 1.00 0.00 N ATOM 0 H ARG A 35 -20.307 -5.459 17.485 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.930 -7.886 16.402 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.861 -7.266 18.419 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -23.650 -7.015 16.874 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.003 -9.468 16.903 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.244 -9.488 18.140 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -25.013 -9.284 16.557 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -23.957 -8.650 15.311 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.430 -11.474 15.933 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -22.066 -9.176 14.623 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.235 -10.398 13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -23.356 -13.053 14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -21.967 -12.599 13.688 1.00 0.00 H new ATOM 598 N CYS A 36 -21.584 -6.583 14.399 1.00 0.00 N ATOM 599 CA CYS A 36 -21.823 -5.793 13.204 1.00 0.00 C ATOM 600 C CYS A 36 -22.960 -6.446 12.415 1.00 0.00 C ATOM 601 O CYS A 36 -22.767 -7.484 11.785 1.00 0.00 O ATOM 602 CB CYS A 36 -20.555 -5.644 12.361 1.00 0.00 C ATOM 603 SG CYS A 36 -20.801 -4.832 10.739 1.00 0.00 S ATOM 0 H CYS A 36 -21.254 -7.532 14.224 1.00 0.00 H new ATOM 0 HA CYS A 36 -22.113 -4.781 13.487 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -19.823 -5.072 12.930 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -20.128 -6.633 12.195 1.00 0.00 H new TER 608 CYS A 36