USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 294 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 HYP H : A 9 HYP N : A 8 LYS C :(H bumps) USER MOD NoAdj-H: A 13 HYP H : A 13 HYP N : A 12 PHE C :(H bumps) USER MOD NoAdj-H: A 15 HYP H : A 15 HYP N : A 14 ILE C :(H bumps) USER MOD NoAdj-H: A 17 HYP H : A 17 HYP N : A 16 SER C :(H bumps) USER MOD NoAdj-H: A 19 HYP H : A 19 HYP N : A 18 ASN C :(H bumps) USER MOD Set 1.1: A 18 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Set 1.2: A 19 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 1 TRP N :NH3+ 156:sc= 0.57 (180deg=0.202) USER MOD Single : A 6 ASN : amide:sc= -0.851 K(o=-0.85,f=-3.3!) USER MOD Single : A 8 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0357) USER MOD Single : A 9 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.974! 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 128:sc= 1.12 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 31.686 -6.429 4.215 1.00 0.00 N ATOM 2 CA TRP A 1 31.139 -6.107 2.909 1.00 0.00 C ATOM 3 C TRP A 1 30.018 -7.104 2.607 1.00 0.00 C ATOM 4 O TRP A 1 30.011 -7.736 1.552 1.00 0.00 O ATOM 5 CB TRP A 1 32.235 -6.099 1.842 1.00 0.00 C ATOM 6 CG TRP A 1 33.285 -5.003 2.036 1.00 0.00 C ATOM 7 CD1 TRP A 1 34.247 -4.938 2.966 1.00 0.00 C ATOM 8 CD2 TRP A 1 33.440 -3.811 1.238 1.00 0.00 C ATOM 9 NE1 TRP A 1 35.008 -3.795 2.828 1.00 0.00 N ATOM 10 CE2 TRP A 1 34.501 -3.088 1.743 1.00 0.00 C ATOM 11 CE3 TRP A 1 32.708 -3.357 0.126 1.00 0.00 C ATOM 12 CZ2 TRP A 1 34.926 -1.869 1.200 1.00 0.00 C ATOM 13 CZ3 TRP A 1 33.144 -2.138 -0.404 1.00 0.00 C ATOM 14 CH2 TRP A 1 34.211 -1.398 0.092 1.00 0.00 C ATOM 0 H1 TRP A 1 32.661 -6.073 4.280 1.00 0.00 H new ATOM 0 H2 TRP A 1 31.105 -5.984 4.954 1.00 0.00 H new ATOM 0 H3 TRP A 1 31.685 -7.461 4.347 1.00 0.00 H new ATOM 0 HA TRP A 1 30.721 -5.100 2.904 1.00 0.00 H new ATOM 0 HB2 TRP A 1 32.733 -7.069 1.840 1.00 0.00 H new ATOM 0 HB3 TRP A 1 31.773 -5.976 0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 1 34.407 -5.686 3.728 1.00 0.00 H new ATOM 0 HE1 TRP A 1 35.797 -3.520 3.414 1.00 0.00 H new ATOM 0 HE3 TRP A 1 31.875 -3.906 -0.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 35.760 -1.322 1.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 32.614 -1.744 -1.259 1.00 0.00 H new ATOM 0 HH2 TRP A 1 34.487 -0.464 -0.375 1.00 0.00 H new ATOM 25 N GLU A 2 29.096 -7.213 3.553 1.00 0.00 N ATOM 26 CA GLU A 2 27.973 -8.122 3.400 1.00 0.00 C ATOM 27 C GLU A 2 26.657 -7.390 3.671 1.00 0.00 C ATOM 28 O GLU A 2 26.424 -6.914 4.780 1.00 0.00 O ATOM 29 CB GLU A 2 28.123 -9.337 4.319 1.00 0.00 C ATOM 30 CG GLU A 2 28.401 -8.904 5.761 1.00 0.00 C ATOM 31 CD GLU A 2 27.728 -9.850 6.757 1.00 0.00 C ATOM 32 OE1 GLU A 2 27.476 -11.007 6.359 1.00 0.00 O ATOM 33 OE2 GLU A 2 27.480 -9.393 7.895 1.00 0.00 O ATOM 0 H GLU A 2 29.104 -6.687 4.427 1.00 0.00 H new ATOM 0 HA GLU A 2 27.960 -8.483 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 2 27.214 -9.938 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.936 -9.969 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.476 -8.888 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.037 -7.888 5.916 1.00 0.00 H new ATOM 40 N TRP A 3 25.831 -7.323 2.637 1.00 0.00 N ATOM 41 CA TRP A 3 24.545 -6.656 2.749 1.00 0.00 C ATOM 42 C TRP A 3 23.467 -7.625 2.260 1.00 0.00 C ATOM 43 O TRP A 3 22.791 -7.436 1.247 1.00 0.00 O ATOM 44 CB TRP A 3 24.547 -5.330 1.986 1.00 0.00 C ATOM 45 CG TRP A 3 23.488 -4.335 2.467 1.00 0.00 C ATOM 46 CD1 TRP A 3 22.304 -4.056 1.905 1.00 0.00 C ATOM 47 CD2 TRP A 3 23.567 -3.493 3.636 1.00 0.00 C ATOM 48 NE1 TRP A 3 21.616 -3.100 2.625 1.00 0.00 N ATOM 49 CE2 TRP A 3 22.409 -2.747 3.711 1.00 0.00 C ATOM 50 CE3 TRP A 3 24.583 -3.367 4.599 1.00 0.00 C ATOM 51 CZ2 TRP A 3 22.157 -1.821 4.731 1.00 0.00 C ATOM 52 CZ3 TRP A 3 24.317 -2.438 5.612 1.00 0.00 C ATOM 53 CH2 TRP A 3 23.156 -1.679 5.702 1.00 0.00 C ATOM 0 H TRP A 3 26.027 -7.720 1.718 1.00 0.00 H new ATOM 0 HA TRP A 3 24.335 -6.395 3.786 1.00 0.00 H new ATOM 0 HB2 TRP A 3 25.531 -4.871 2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 3 24.387 -5.532 0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 3 21.935 -4.520 1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 3 20.695 -2.722 2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 3 25.497 -3.941 4.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 21.242 -1.248 4.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 25.067 -2.301 6.377 1.00 0.00 H new ATOM 0 HH2 TRP A 3 23.025 -0.983 6.517 1.00 0.00 H new ATOM 64 N PRO A 4 23.299 -8.723 3.024 1.00 0.00 N ATOM 65 CA PRO A 4 22.409 -9.842 2.611 1.00 0.00 C ATOM 66 C PRO A 4 20.878 -9.537 2.472 1.00 0.00 C ATOM 67 O PRO A 4 20.177 -10.546 2.406 1.00 0.00 O ATOM 68 CB PRO A 4 22.767 -10.904 3.674 1.00 0.00 C ATOM 69 CG PRO A 4 23.254 -10.122 4.902 1.00 0.00 C ATOM 70 CD PRO A 4 23.976 -8.905 4.319 1.00 0.00 C ATOM 0 HA PRO A 4 22.582 -10.147 1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 4 21.901 -11.518 3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.541 -11.578 3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 4 22.421 -9.822 5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 4 23.923 -10.724 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 4 23.873 -8.028 4.958 1.00 0.00 H new ATOM 0 HD3 PRO A 4 25.044 -9.087 4.197 1.00 0.00 H new ATOM 78 N TRP A 5 20.414 -8.297 2.428 1.00 0.00 N ATOM 79 CA TRP A 5 18.992 -8.034 2.293 1.00 0.00 C ATOM 80 C TRP A 5 18.386 -7.977 3.696 1.00 0.00 C ATOM 81 O TRP A 5 17.281 -7.468 3.879 1.00 0.00 O ATOM 82 CB TRP A 5 18.324 -9.078 1.396 1.00 0.00 C ATOM 83 CG TRP A 5 19.193 -9.538 0.224 1.00 0.00 C ATOM 84 CD1 TRP A 5 20.180 -8.867 -0.386 1.00 0.00 C ATOM 85 CD2 TRP A 5 19.112 -10.807 -0.460 1.00 0.00 C ATOM 86 NE1 TRP A 5 20.739 -9.607 -1.408 1.00 0.00 N ATOM 87 CE2 TRP A 5 20.069 -10.824 -1.455 1.00 0.00 C ATOM 88 CE3 TRP A 5 18.259 -11.904 -0.245 1.00 0.00 C ATOM 89 CZ2 TRP A 5 20.262 -11.913 -2.313 1.00 0.00 C ATOM 90 CZ3 TRP A 5 18.466 -12.984 -1.112 1.00 0.00 C ATOM 91 CH2 TRP A 5 19.425 -13.017 -2.117 1.00 0.00 C ATOM 0 H TRP A 5 20.998 -7.463 2.484 1.00 0.00 H new ATOM 0 HA TRP A 5 18.822 -7.076 1.801 1.00 0.00 H new ATOM 0 HB2 TRP A 5 18.059 -9.945 2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 5 17.394 -8.665 1.005 1.00 0.00 H new ATOM 0 HD1 TRP A 5 20.498 -7.872 -0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 5 21.503 -9.315 -2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 5 17.504 -11.913 0.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 21.017 -11.902 -3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 17.836 -13.853 -0.991 1.00 0.00 H new ATOM 0 HH2 TRP A 5 19.524 -13.891 -2.744 1.00 0.00 H new ATOM 102 N ASN A 6 19.137 -8.504 4.652 1.00 0.00 N ATOM 103 CA ASN A 6 18.688 -8.518 6.034 1.00 0.00 C ATOM 104 C ASN A 6 18.075 -7.161 6.381 1.00 0.00 C ATOM 105 O ASN A 6 18.707 -6.123 6.188 1.00 0.00 O ATOM 106 CB ASN A 6 19.856 -8.769 6.991 1.00 0.00 C ATOM 107 CG ASN A 6 20.794 -7.562 7.037 1.00 0.00 C ATOM 108 OD1 ASN A 6 21.095 -6.937 6.033 1.00 0.00 O ATOM 109 ND2 ASN A 6 21.240 -7.270 8.256 1.00 0.00 N ATOM 0 H ASN A 6 20.053 -8.924 4.497 1.00 0.00 H new ATOM 0 HA ASN A 6 17.956 -9.318 6.142 1.00 0.00 H new ATOM 0 HB2 ASN A 6 19.474 -8.976 7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 6 20.409 -9.652 6.672 1.00 0.00 H new ATOM 0 HD21 ASN A 6 21.873 -6.482 8.392 1.00 0.00 H new ATOM 0 HD22 ASN A 6 20.949 -7.834 9.054 1.00 0.00 H new ATOM 116 N ARG A 7 16.852 -7.211 6.889 1.00 0.00 N ATOM 117 CA ARG A 7 16.147 -5.997 7.264 1.00 0.00 C ATOM 118 C ARG A 7 16.472 -4.869 6.283 1.00 0.00 C ATOM 119 O ARG A 7 17.356 -4.055 6.539 1.00 0.00 O ATOM 120 CB ARG A 7 16.525 -5.557 8.680 1.00 0.00 C ATOM 121 CG ARG A 7 15.285 -5.148 9.477 1.00 0.00 C ATOM 122 CD ARG A 7 15.431 -3.728 10.029 1.00 0.00 C ATOM 123 NE ARG A 7 15.716 -3.776 11.480 1.00 0.00 N ATOM 124 CZ ARG A 7 14.800 -4.062 12.416 1.00 0.00 C ATOM 125 NH1 ARG A 7 13.536 -4.325 12.059 1.00 0.00 N ATOM 126 NH2 ARG A 7 15.149 -4.082 13.709 1.00 0.00 N ATOM 0 H ARG A 7 16.331 -8.073 7.050 1.00 0.00 H new ATOM 0 HA ARG A 7 15.079 -6.211 7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 7 17.039 -6.370 9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 7 17.222 -4.721 8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.403 -5.205 8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.130 -5.847 10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.235 -3.208 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.517 -3.163 9.848 1.00 0.00 H new ATOM 0 HE ARG A 7 16.669 -3.579 11.787 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.270 -4.308 11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.840 -4.543 12.772 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.111 -3.880 13.981 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.453 -4.299 14.422 1.00 0.00 H new ATOM 140 N LYS A 8 15.738 -4.859 5.180 1.00 0.00 N ATOM 141 CA LYS A 8 15.936 -3.843 4.159 1.00 0.00 C ATOM 142 C LYS A 8 14.575 -3.372 3.643 1.00 0.00 C ATOM 143 O LYS A 8 14.188 -3.578 2.490 1.00 0.00 O ATOM 144 CB LYS A 8 16.863 -4.365 3.059 1.00 0.00 C ATOM 145 CG LYS A 8 17.978 -3.360 2.760 1.00 0.00 C ATOM 146 CD LYS A 8 17.484 -2.254 1.826 1.00 0.00 C ATOM 147 CE LYS A 8 18.656 -1.452 1.259 1.00 0.00 C ATOM 148 NZ LYS A 8 19.325 -2.206 0.175 1.00 0.00 N ATOM 0 H LYS A 8 15.006 -5.537 4.971 1.00 0.00 H new ATOM 0 HA LYS A 8 16.436 -2.971 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.298 -5.316 3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.287 -4.555 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.336 -2.921 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.824 -3.875 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.910 -2.692 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.812 -1.589 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.299 -0.495 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.371 -1.232 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.356 -2.098 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.075 -3.213 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.015 -1.838 -0.747 1.00 0.00 H new HETATM 162 N HYP A 9 13.806 -2.696 4.565 1.00 0.00 N HETATM 163 CA HYP A 9 12.427 -2.242 4.299 1.00 0.00 C HETATM 164 C HYP A 9 12.249 -1.238 3.135 1.00 0.00 C HETATM 165 O HYP A 9 12.891 -0.188 3.118 1.00 0.00 O HETATM 166 CB HYP A 9 11.977 -1.605 5.629 1.00 0.00 C HETATM 167 CG HYP A 9 12.896 -2.237 6.678 1.00 0.00 C HETATM 168 CD HYP A 9 14.220 -2.322 5.913 1.00 0.00 C HETATM 169 OD1 HYP A 9 12.417 -3.543 6.950 1.00 0.00 O HETATM 0 HD23 HYP A 9 14.889 -3.064 6.349 1.00 0.00 H new HETATM 0 HD22 HYP A 9 14.751 -1.370 5.921 1.00 0.00 H new HETATM 0 HG HYP A 9 12.966 -1.700 7.624 1.00 0.00 H new HETATM 0 HD1 HYP A 9 12.992 -3.969 7.619 1.00 0.00 H new HETATM 0 HB3 HYP A 9 12.084 -0.520 5.607 1.00 0.00 H new HETATM 0 HB2 HYP A 9 10.929 -1.818 5.838 1.00 0.00 H new HETATM 0 HA HYP A 9 11.831 -3.094 3.971 1.00 0.00 H new ATOM 177 N THR A 10 11.270 -1.533 2.292 1.00 0.00 N ATOM 178 CA THR A 10 10.873 -0.601 1.252 1.00 0.00 C ATOM 179 C THR A 10 9.426 -0.152 1.462 1.00 0.00 C ATOM 180 O THR A 10 8.732 -0.669 2.336 1.00 0.00 O ATOM 181 CB THR A 10 11.110 -1.276 -0.101 1.00 0.00 C ATOM 182 OG1 THR A 10 10.001 -0.861 -0.894 1.00 0.00 O ATOM 183 CG2 THR A 10 10.969 -2.797 -0.031 1.00 0.00 C ATOM 0 H THR A 10 10.740 -2.405 2.309 1.00 0.00 H new ATOM 0 HA THR A 10 11.470 0.310 1.287 1.00 0.00 H new ATOM 0 HB THR A 10 12.106 -1.021 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.075 -1.252 -1.790 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.147 -3.225 -1.018 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.696 -3.198 0.675 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.963 -3.054 0.300 1.00 0.00 H new ATOM 191 N LYS A 11 9.013 0.807 0.645 1.00 0.00 N ATOM 192 CA LYS A 11 7.661 1.331 0.730 1.00 0.00 C ATOM 193 C LYS A 11 6.679 0.292 0.186 1.00 0.00 C ATOM 194 O LYS A 11 6.474 0.199 -1.023 1.00 0.00 O ATOM 195 CB LYS A 11 7.568 2.689 0.032 1.00 0.00 C ATOM 196 CG LYS A 11 6.217 3.355 0.304 1.00 0.00 C ATOM 197 CD LYS A 11 6.290 4.257 1.537 1.00 0.00 C ATOM 198 CE LYS A 11 5.595 5.596 1.279 1.00 0.00 C ATOM 199 NZ LYS A 11 6.572 6.706 1.330 1.00 0.00 N ATOM 0 H LYS A 11 9.591 1.234 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 11 7.389 1.513 1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.373 3.336 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.704 2.560 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.916 3.942 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.454 2.591 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.822 3.758 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.332 4.430 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.108 5.577 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.814 5.756 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.083 7.607 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.018 6.733 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.302 6.560 0.604 1.00 0.00 H new ATOM 213 N PHE A 12 6.099 -0.466 1.105 1.00 0.00 N ATOM 214 CA PHE A 12 5.144 -1.496 0.733 1.00 0.00 C ATOM 215 C PHE A 12 3.814 -0.878 0.296 1.00 0.00 C ATOM 216 O PHE A 12 3.572 0.327 0.393 1.00 0.00 O ATOM 217 CB PHE A 12 4.909 -2.359 1.975 1.00 0.00 C ATOM 218 CG PHE A 12 6.173 -2.623 2.796 1.00 0.00 C ATOM 219 CD1 PHE A 12 7.192 -3.347 2.262 1.00 0.00 C ATOM 220 CD2 PHE A 12 6.276 -2.134 4.061 1.00 0.00 C ATOM 221 CE1 PHE A 12 8.365 -3.593 3.024 1.00 0.00 C ATOM 222 CE2 PHE A 12 7.449 -2.379 4.824 1.00 0.00 C ATOM 223 CZ PHE A 12 8.468 -3.104 4.289 1.00 0.00 C ATOM 0 H PHE A 12 6.272 -0.387 2.107 1.00 0.00 H new ATOM 0 HA PHE A 12 5.533 -2.081 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.171 -1.870 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.482 -3.313 1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.110 -3.735 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.466 -1.559 4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.175 -4.168 2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.532 -1.990 5.828 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.359 -3.291 4.869 1.00 0.00 H new HETATM 233 N HYP A 13 2.898 -1.770 -0.215 1.00 0.00 N HETATM 234 CA HYP A 13 1.595 -1.367 -0.781 1.00 0.00 C HETATM 235 C HYP A 13 0.624 -0.649 0.187 1.00 0.00 C HETATM 236 O HYP A 13 0.770 -0.753 1.404 1.00 0.00 O HETATM 237 CB HYP A 13 0.976 -2.689 -1.278 1.00 0.00 C HETATM 238 CG HYP A 13 2.177 -3.619 -1.467 1.00 0.00 C HETATM 239 CD HYP A 13 3.062 -3.219 -0.284 1.00 0.00 C HETATM 240 OD1 HYP A 13 2.814 -3.268 -2.683 1.00 0.00 O HETATM 0 HD23 HYP A 13 4.103 -3.498 -0.448 1.00 0.00 H new HETATM 0 HD22 HYP A 13 2.743 -3.704 0.639 1.00 0.00 H new HETATM 0 HG HYP A 13 1.945 -4.683 -1.503 1.00 0.00 H new HETATM 0 HD1 HYP A 13 3.589 -3.850 -2.826 1.00 0.00 H new HETATM 0 HB3 HYP A 13 0.269 -3.094 -0.554 1.00 0.00 H new HETATM 0 HB2 HYP A 13 0.431 -2.547 -2.211 1.00 0.00 H new HETATM 0 HA HYP A 13 1.760 -0.617 -1.554 1.00 0.00 H new ATOM 248 N ILE A 14 -0.418 -0.077 -0.398 1.00 0.00 N ATOM 249 CA ILE A 14 -1.501 0.488 0.389 1.00 0.00 C ATOM 250 C ILE A 14 -1.830 -0.456 1.547 1.00 0.00 C ATOM 251 O ILE A 14 -1.947 -1.676 1.404 1.00 0.00 O ATOM 252 CB ILE A 14 -2.701 0.807 -0.504 1.00 0.00 C ATOM 253 CG1 ILE A 14 -2.366 1.921 -1.498 1.00 0.00 C ATOM 254 CG2 ILE A 14 -3.936 1.141 0.336 1.00 0.00 C ATOM 255 CD1 ILE A 14 -2.626 1.468 -2.936 1.00 0.00 C ATOM 0 H ILE A 14 -0.535 0.007 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.198 1.438 0.828 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.938 -0.083 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.966 2.804 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.321 2.210 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.775 1.364 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.187 0.289 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.726 2.008 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.380 2.278 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.006 0.600 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.677 1.203 -3.049 1.00 0.00 H new HETATM 267 N HYP A 15 -1.987 0.157 2.771 1.00 0.00 N HETATM 268 CA HYP A 15 -2.210 -0.581 4.030 1.00 0.00 C HETATM 269 C HYP A 15 -3.252 -1.724 3.974 1.00 0.00 C HETATM 270 O HYP A 15 -3.933 -1.895 2.965 1.00 0.00 O HETATM 271 CB HYP A 15 -2.659 0.505 5.028 1.00 0.00 C HETATM 272 CG HYP A 15 -2.121 1.809 4.432 1.00 0.00 C HETATM 273 CD HYP A 15 -2.325 1.567 2.934 1.00 0.00 C HETATM 274 OD1 HYP A 15 -0.734 1.882 4.719 1.00 0.00 O HETATM 0 HD23 HYP A 15 -1.680 2.207 2.332 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -3.351 1.772 2.630 1.00 0.00 H new HETATM 0 HG HYP A 15 -2.591 2.721 4.800 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -0.366 2.710 4.345 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -3.744 0.530 5.127 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -2.252 0.324 6.023 1.00 0.00 H new HETATM 0 HA HYP A 15 -1.294 -1.105 4.302 1.00 0.00 H new ATOM 282 N SER A 16 -3.439 -2.359 5.122 1.00 0.00 N ATOM 283 CA SER A 16 -4.502 -3.338 5.272 1.00 0.00 C ATOM 284 C SER A 16 -5.770 -2.845 4.572 1.00 0.00 C ATOM 285 O SER A 16 -6.590 -2.103 5.117 1.00 0.00 O ATOM 286 CB SER A 16 -4.786 -3.620 6.749 1.00 0.00 C ATOM 287 OG SER A 16 -5.035 -5.002 6.989 1.00 0.00 O ATOM 0 H SER A 16 -2.872 -2.214 5.957 1.00 0.00 H new ATOM 0 HA SER A 16 -4.178 -4.269 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.937 -3.295 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.647 -3.035 7.071 1.00 0.00 H new ATOM 0 HG SER A 16 -5.210 -5.142 7.943 1.00 0.00 H new HETATM 293 N HYP A 17 -5.932 -3.293 3.279 1.00 0.00 N HETATM 294 CA HYP A 17 -7.035 -2.857 2.399 1.00 0.00 C HETATM 295 C HYP A 17 -8.467 -3.170 2.894 1.00 0.00 C HETATM 296 O HYP A 17 -8.660 -4.070 3.710 1.00 0.00 O HETATM 297 CB HYP A 17 -6.759 -3.582 1.066 1.00 0.00 C HETATM 298 CG HYP A 17 -5.264 -3.905 1.116 1.00 0.00 C HETATM 299 CD HYP A 17 -5.075 -4.254 2.595 1.00 0.00 C HETATM 300 OD1 HYP A 17 -4.550 -2.718 0.811 1.00 0.00 O HETATM 0 HD23 HYP A 17 -4.034 -4.154 2.902 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -5.373 -5.281 2.807 1.00 0.00 H new HETATM 0 HG HYP A 17 -4.931 -4.686 0.432 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -3.885 -2.548 1.510 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -7.359 -4.487 0.974 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -7.001 -2.950 0.212 1.00 0.00 H new HETATM 0 HA HYP A 17 -7.035 -1.769 2.341 1.00 0.00 H new ATOM 308 N ASN A 18 -9.428 -2.513 2.260 1.00 0.00 N ATOM 309 CA ASN A 18 -10.828 -2.824 2.495 1.00 0.00 C ATOM 310 C ASN A 18 -11.687 -1.628 2.080 1.00 0.00 C ATOM 311 O ASN A 18 -12.748 -1.749 1.462 1.00 0.00 O ATOM 312 CB ASN A 18 -11.089 -3.103 3.976 1.00 0.00 C ATOM 313 CG ASN A 18 -12.574 -2.953 4.308 1.00 0.00 C ATOM 314 OD1 ASN A 18 -13.027 -1.935 4.806 1.00 0.00 O ATOM 315 ND2 ASN A 18 -13.307 -4.022 4.007 1.00 0.00 N ATOM 0 H ASN A 18 -9.264 -1.767 1.584 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.080 -3.710 1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.757 -4.111 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.505 -2.416 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.310 -4.021 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.866 -4.842 3.592 1.00 0.00 H new HETATM 322 N HYP A 19 -11.189 -0.397 2.448 1.00 0.00 N HETATM 323 CA HYP A 19 -11.911 0.872 2.231 1.00 0.00 C HETATM 324 C HYP A 19 -12.163 1.269 0.756 1.00 0.00 C HETATM 325 O HYP A 19 -12.725 2.330 0.486 1.00 0.00 O HETATM 326 CB HYP A 19 -11.030 1.929 2.927 1.00 0.00 C HETATM 327 CG HYP A 19 -10.208 1.127 3.938 1.00 0.00 C HETATM 328 CD HYP A 19 -9.936 -0.162 3.156 1.00 0.00 C HETATM 329 OD1 HYP A 19 -11.039 0.843 5.052 1.00 0.00 O HETATM 0 HD23 HYP A 19 -9.688 -0.990 3.820 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -9.100 -0.045 2.466 1.00 0.00 H new HETATM 0 HG HYP A 19 -9.308 1.620 4.305 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -10.533 0.327 5.714 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -10.389 2.445 2.213 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -11.635 2.690 3.420 1.00 0.00 H new HETATM 0 HA HYP A 19 -12.921 0.780 2.630 1.00 0.00 H new ATOM 337 N ARG A 20 -11.874 0.326 -0.129 1.00 0.00 N ATOM 338 CA ARG A 20 -12.214 0.488 -1.532 1.00 0.00 C ATOM 339 C ARG A 20 -12.735 -0.832 -2.107 1.00 0.00 C ATOM 340 O ARG A 20 -12.611 -1.083 -3.304 1.00 0.00 O ATOM 341 CB ARG A 20 -11.002 0.947 -2.344 1.00 0.00 C ATOM 342 CG ARG A 20 -11.404 1.995 -3.384 1.00 0.00 C ATOM 343 CD ARG A 20 -10.556 1.863 -4.651 1.00 0.00 C ATOM 344 NE ARG A 20 -11.079 0.767 -5.498 1.00 0.00 N ATOM 345 CZ ARG A 20 -10.496 0.351 -6.631 1.00 0.00 C ATOM 346 NH1 ARG A 20 -9.371 0.936 -7.060 1.00 0.00 N ATOM 347 NH2 ARG A 20 -11.041 -0.651 -7.335 1.00 0.00 N ATOM 0 H ARG A 20 -11.408 -0.553 0.099 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.990 1.250 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.248 1.363 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.548 0.090 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.459 1.879 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.284 2.994 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.569 2.801 -5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.518 1.664 -4.385 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.936 0.300 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.957 1.699 -6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.928 0.619 -7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.899 -1.096 -7.008 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.598 -0.968 -8.197 1.00 0.00 H new ATOM 361 N ASP A 21 -13.305 -1.640 -1.226 1.00 0.00 N ATOM 362 CA ASP A 21 -13.844 -2.927 -1.631 1.00 0.00 C ATOM 363 C ASP A 21 -15.251 -3.091 -1.052 1.00 0.00 C ATOM 364 O ASP A 21 -15.445 -2.988 0.158 1.00 0.00 O ATOM 365 CB ASP A 21 -12.981 -4.075 -1.105 1.00 0.00 C ATOM 366 CG ASP A 21 -13.712 -5.410 -0.939 1.00 0.00 C ATOM 367 OD1 ASP A 21 -14.255 -5.890 -1.957 1.00 0.00 O ATOM 368 OD2 ASP A 21 -13.709 -5.920 0.203 1.00 0.00 O ATOM 0 H ASP A 21 -13.405 -1.429 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.861 -2.958 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.141 -4.220 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.564 -3.784 -0.141 1.00 0.00 H new ATOM 373 N LYS A 22 -16.198 -3.341 -1.945 1.00 0.00 N ATOM 374 CA LYS A 22 -17.581 -3.519 -1.538 1.00 0.00 C ATOM 375 C LYS A 22 -18.106 -2.211 -0.943 1.00 0.00 C ATOM 376 O LYS A 22 -19.184 -2.183 -0.351 1.00 0.00 O ATOM 377 CB LYS A 22 -17.714 -4.719 -0.598 1.00 0.00 C ATOM 378 CG LYS A 22 -18.973 -5.528 -0.915 1.00 0.00 C ATOM 379 CD LYS A 22 -18.733 -7.024 -0.699 1.00 0.00 C ATOM 380 CE LYS A 22 -20.025 -7.733 -0.287 1.00 0.00 C ATOM 381 NZ LYS A 22 -19.914 -8.249 1.095 1.00 0.00 N ATOM 0 H LYS A 22 -16.034 -3.424 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.205 -3.750 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.835 -5.357 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.750 -4.374 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.794 -5.193 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -19.274 -5.350 -1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.346 -7.470 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.974 -7.167 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.865 -7.041 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.231 -8.555 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.799 -8.727 1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.125 -8.925 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.740 -7.458 1.748 1.00 0.00 H new ATOM 395 N TRP A 23 -17.321 -1.159 -1.123 1.00 0.00 N ATOM 396 CA TRP A 23 -17.693 0.149 -0.611 1.00 0.00 C ATOM 397 C TRP A 23 -18.912 0.635 -1.399 1.00 0.00 C ATOM 398 O TRP A 23 -19.316 0.006 -2.376 1.00 0.00 O ATOM 399 CB TRP A 23 -16.513 1.120 -0.678 1.00 0.00 C ATOM 400 CG TRP A 23 -16.706 2.268 -1.669 1.00 0.00 C ATOM 401 CD1 TRP A 23 -16.626 2.228 -3.006 1.00 0.00 C ATOM 402 CD2 TRP A 23 -17.020 3.640 -1.345 1.00 0.00 C ATOM 403 NE1 TRP A 23 -16.862 3.467 -3.565 1.00 0.00 N ATOM 404 CE2 TRP A 23 -17.110 4.353 -2.524 1.00 0.00 C ATOM 405 CE3 TRP A 23 -17.220 4.257 -0.098 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -17.402 5.721 -2.570 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -17.512 5.625 -0.162 1.00 0.00 C ATOM 408 CH2 TRP A 23 -17.606 6.358 -1.340 1.00 0.00 C ATOM 0 H TRP A 23 -16.429 -1.186 -1.616 1.00 0.00 H new ATOM 0 HA TRP A 23 -17.961 0.089 0.444 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.342 1.536 0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.615 0.566 -0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.404 1.337 -3.575 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -16.856 3.691 -4.560 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -17.154 3.718 0.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -17.467 6.257 -3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -17.676 6.148 0.769 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.835 7.413 -1.306 1.00 0.00 H new ATOM 419 N CYS A 24 -19.464 1.750 -0.944 1.00 0.00 N ATOM 420 CA CYS A 24 -20.628 2.328 -1.593 1.00 0.00 C ATOM 421 C CYS A 24 -21.231 3.375 -0.654 1.00 0.00 C ATOM 422 O CYS A 24 -21.925 3.030 0.301 1.00 0.00 O ATOM 423 CB CYS A 24 -21.648 1.257 -1.984 1.00 0.00 C ATOM 424 SG CYS A 24 -21.927 1.084 -3.785 1.00 0.00 S ATOM 0 H CYS A 24 -19.126 2.269 -0.133 1.00 0.00 H new ATOM 0 HA CYS A 24 -20.328 2.807 -2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -21.316 0.297 -1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -22.599 1.488 -1.504 1.00 0.00 H new ATOM 429 N ARG A 25 -20.945 4.632 -0.959 1.00 0.00 N ATOM 430 CA ARG A 25 -21.451 5.731 -0.155 1.00 0.00 C ATOM 431 C ARG A 25 -22.971 5.834 -0.294 1.00 0.00 C ATOM 432 O ARG A 25 -23.633 6.452 0.540 1.00 0.00 O ATOM 433 CB ARG A 25 -20.816 7.058 -0.576 1.00 0.00 C ATOM 434 CG ARG A 25 -20.560 7.953 0.640 1.00 0.00 C ATOM 435 CD ARG A 25 -19.304 8.803 0.441 1.00 0.00 C ATOM 436 NE ARG A 25 -19.482 10.126 1.078 1.00 0.00 N ATOM 437 CZ ARG A 25 -18.470 10.918 1.461 1.00 0.00 C ATOM 438 NH1 ARG A 25 -17.204 10.524 1.272 1.00 0.00 N ATOM 439 NH2 ARG A 25 -18.726 12.103 2.032 1.00 0.00 N ATOM 0 H ARG A 25 -20.369 4.914 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 25 -21.191 5.530 0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -19.877 6.867 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -21.471 7.572 -1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -21.420 8.602 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -20.449 7.337 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -18.440 8.296 0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -19.104 8.927 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 25 -20.434 10.457 1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.010 9.622 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.434 11.126 1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.691 12.402 2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -17.956 12.706 2.323 1.00 0.00 H new ATOM 453 N LEU A 26 -23.480 5.220 -1.351 1.00 0.00 N ATOM 454 CA LEU A 26 -24.910 5.235 -1.608 1.00 0.00 C ATOM 455 C LEU A 26 -25.591 4.175 -0.740 1.00 0.00 C ATOM 456 O LEU A 26 -25.034 3.741 0.266 1.00 0.00 O ATOM 457 CB LEU A 26 -25.186 5.074 -3.104 1.00 0.00 C ATOM 458 CG LEU A 26 -24.381 5.982 -4.037 1.00 0.00 C ATOM 459 CD1 LEU A 26 -24.313 7.408 -3.488 1.00 0.00 C ATOM 460 CD2 LEU A 26 -22.991 5.402 -4.302 1.00 0.00 C ATOM 0 H LEU A 26 -22.928 4.709 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 26 -25.337 6.198 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -24.990 4.038 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -26.246 5.255 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 26 -24.897 6.030 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -23.736 8.033 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -25.322 7.810 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -23.833 7.399 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -22.440 6.067 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -22.452 5.304 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -23.089 4.421 -4.768 1.00 0.00 H new ATOM 472 N ASN A 27 -26.787 3.791 -1.161 1.00 0.00 N ATOM 473 CA ASN A 27 -27.551 2.791 -0.433 1.00 0.00 C ATOM 474 C ASN A 27 -26.870 1.429 -0.582 1.00 0.00 C ATOM 475 O ASN A 27 -26.394 1.084 -1.663 1.00 0.00 O ATOM 476 CB ASN A 27 -28.971 2.672 -0.988 1.00 0.00 C ATOM 477 CG ASN A 27 -29.949 3.526 -0.178 1.00 0.00 C ATOM 478 OD1 ASN A 27 -29.573 4.273 0.711 1.00 0.00 O ATOM 479 ND2 ASN A 27 -31.222 3.375 -0.532 1.00 0.00 N ATOM 0 H ASN A 27 -27.246 4.154 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 27 -27.597 3.096 0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -28.985 2.987 -2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -29.288 1.629 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -31.951 3.901 -0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -31.469 2.733 -1.285 1.00 0.00 H new ATOM 486 N LEU A 28 -26.846 0.692 0.518 1.00 0.00 N ATOM 487 CA LEU A 28 -26.232 -0.625 0.524 1.00 0.00 C ATOM 488 C LEU A 28 -27.208 -1.635 1.130 1.00 0.00 C ATOM 489 O LEU A 28 -28.414 -1.399 1.156 1.00 0.00 O ATOM 490 CB LEU A 28 -24.875 -0.580 1.230 1.00 0.00 C ATOM 491 CG LEU A 28 -23.816 -1.553 0.709 1.00 0.00 C ATOM 492 CD1 LEU A 28 -22.975 -0.909 -0.395 1.00 0.00 C ATOM 493 CD2 LEU A 28 -22.950 -2.085 1.852 1.00 0.00 C ATOM 0 H LEU A 28 -27.242 0.982 1.412 1.00 0.00 H new ATOM 0 HA LEU A 28 -26.025 -0.954 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -24.480 0.433 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -25.032 -0.779 2.290 1.00 0.00 H new ATOM 0 HG LEU A 28 -24.327 -2.408 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.230 -1.622 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -23.622 -0.620 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -22.473 -0.025 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -22.205 -2.774 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -22.447 -1.253 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -23.579 -2.607 2.573 1.00 0.00 H new ATOM 505 N GLY A 29 -26.649 -2.740 1.603 1.00 0.00 N ATOM 506 CA GLY A 29 -27.454 -3.786 2.208 1.00 0.00 C ATOM 507 C GLY A 29 -27.271 -3.812 3.727 1.00 0.00 C ATOM 508 O GLY A 29 -27.473 -2.836 4.452 1.00 0.00 O ATOM 0 H GLY A 29 -25.648 -2.933 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -28.505 -3.625 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -27.175 -4.753 1.788 1.00 0.00 H new ATOM 512 N PRO A 30 -26.866 -4.994 4.232 1.00 0.00 N ATOM 513 CA PRO A 30 -26.792 -5.240 5.696 1.00 0.00 C ATOM 514 C PRO A 30 -25.963 -4.230 6.562 1.00 0.00 C ATOM 515 O PRO A 30 -24.999 -4.741 7.131 1.00 0.00 O ATOM 516 CB PRO A 30 -26.272 -6.696 5.719 1.00 0.00 C ATOM 517 CG PRO A 30 -25.495 -6.884 4.409 1.00 0.00 C ATOM 518 CD PRO A 30 -26.253 -6.035 3.389 1.00 0.00 C ATOM 0 HA PRO A 30 -27.752 -5.085 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -25.630 -6.868 6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -27.097 -7.405 5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -24.461 -6.554 4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -25.467 -7.932 4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -25.586 -5.609 2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -27.003 -6.617 2.854 1.00 0.00 H new ATOM 526 N ALA A 31 -26.298 -2.952 6.654 1.00 0.00 N ATOM 527 CA ALA A 31 -25.522 -2.031 7.467 1.00 0.00 C ATOM 528 C ALA A 31 -25.698 -0.609 6.929 1.00 0.00 C ATOM 529 O ALA A 31 -25.455 0.362 7.642 1.00 0.00 O ATOM 530 CB ALA A 31 -24.056 -2.471 7.478 1.00 0.00 C ATOM 0 H ALA A 31 -27.097 -2.532 6.179 1.00 0.00 H new ATOM 0 HA ALA A 31 -25.874 -2.040 8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -23.473 -1.780 8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -23.981 -3.475 7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.668 -2.471 6.459 1.00 0.00 H new ATOM 536 N TRP A 32 -26.121 -0.533 5.676 1.00 0.00 N ATOM 537 CA TRP A 32 -26.334 0.753 5.034 1.00 0.00 C ATOM 538 C TRP A 32 -27.805 0.839 4.625 1.00 0.00 C ATOM 539 O TRP A 32 -28.674 0.288 5.298 1.00 0.00 O ATOM 540 CB TRP A 32 -25.373 0.945 3.858 1.00 0.00 C ATOM 541 CG TRP A 32 -24.730 2.332 3.801 1.00 0.00 C ATOM 542 CD1 TRP A 32 -25.283 3.482 3.393 1.00 0.00 C ATOM 543 CD2 TRP A 32 -23.379 2.670 4.182 1.00 0.00 C ATOM 544 NE1 TRP A 32 -24.393 4.532 3.483 1.00 0.00 N ATOM 545 CE2 TRP A 32 -23.198 4.023 3.978 1.00 0.00 C ATOM 546 CE3 TRP A 32 -22.345 1.860 4.682 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -21.994 4.684 4.247 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -21.148 2.535 4.946 1.00 0.00 C ATOM 549 CH2 TRP A 32 -20.950 3.897 4.746 1.00 0.00 C ATOM 0 H TRP A 32 -26.322 -1.342 5.088 1.00 0.00 H new ATOM 0 HA TRP A 32 -26.116 1.569 5.723 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -24.586 0.193 3.918 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -25.913 0.767 2.928 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -26.299 3.575 3.038 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -24.578 5.503 3.232 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -22.465 0.800 4.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -21.877 5.744 4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -20.320 1.958 5.332 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.995 4.345 4.975 1.00 0.00 H new ATOM 560 N GLY A 33 -28.039 1.535 3.521 1.00 0.00 N ATOM 561 CA GLY A 33 -29.390 1.700 3.013 1.00 0.00 C ATOM 562 C GLY A 33 -29.934 0.381 2.462 1.00 0.00 C ATOM 563 O GLY A 33 -29.978 -0.622 3.173 1.00 0.00 O ATOM 0 H GLY A 33 -27.316 1.991 2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -30.040 2.061 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -29.397 2.456 2.228 1.00 0.00 H new ATOM 567 N GLY A 34 -30.336 0.424 1.200 1.00 0.00 N ATOM 568 CA GLY A 34 -30.875 -0.755 0.545 1.00 0.00 C ATOM 569 C GLY A 34 -30.360 -0.869 -0.892 1.00 0.00 C ATOM 570 O GLY A 34 -30.781 -0.114 -1.766 1.00 0.00 O ATOM 0 H GLY A 34 -30.299 1.258 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -30.596 -1.647 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -31.964 -0.708 0.542 1.00 0.00 H new ATOM 574 N ARG A 35 -29.458 -1.819 -1.089 1.00 0.00 N ATOM 575 CA ARG A 35 -28.882 -2.041 -2.404 1.00 0.00 C ATOM 576 C ARG A 35 -28.163 -0.780 -2.889 1.00 0.00 C ATOM 577 O ARG A 35 -28.565 0.334 -2.557 1.00 0.00 O ATOM 578 CB ARG A 35 -29.959 -2.427 -3.419 1.00 0.00 C ATOM 579 CG ARG A 35 -29.343 -3.127 -4.632 1.00 0.00 C ATOM 580 CD ARG A 35 -29.613 -4.633 -4.594 1.00 0.00 C ATOM 581 NE ARG A 35 -29.229 -5.250 -5.883 1.00 0.00 N ATOM 582 CZ ARG A 35 -29.164 -6.572 -6.094 1.00 0.00 C ATOM 583 NH1 ARG A 35 -29.458 -7.424 -5.102 1.00 0.00 N ATOM 584 NH2 ARG A 35 -28.806 -7.041 -7.297 1.00 0.00 N ATOM 0 H ARG A 35 -29.112 -2.443 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 35 -28.168 -2.860 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -30.689 -3.084 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -30.495 -1.535 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -29.755 -2.703 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -28.268 -2.947 -4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -29.050 -5.091 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -30.669 -4.816 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 35 -28.999 -4.630 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -29.731 -7.066 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -29.409 -8.430 -5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -28.583 -6.392 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -28.756 -8.047 -7.458 1.00 0.00 H new ATOM 598 N CYS A 36 -27.114 -0.998 -3.666 1.00 0.00 N ATOM 599 CA CYS A 36 -26.335 0.107 -4.199 1.00 0.00 C ATOM 600 C CYS A 36 -26.418 0.060 -5.727 1.00 0.00 C ATOM 601 O CYS A 36 -26.688 1.074 -6.369 1.00 0.00 O ATOM 602 CB CYS A 36 -24.887 0.070 -3.706 1.00 0.00 C ATOM 603 SG CYS A 36 -23.953 1.624 -3.952 1.00 0.00 S ATOM 0 H CYS A 36 -26.784 -1.924 -3.940 1.00 0.00 H new ATOM 0 HA CYS A 36 -26.747 1.051 -3.841 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -24.886 -0.174 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -24.364 -0.737 -4.219 1.00 0.00 H new TER 608 CYS A 36