USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 294 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 HYP H : A 9 HYP N : A 8 LYS C :(H bumps) USER MOD NoAdj-H: A 13 HYP H : A 13 HYP N : A 12 PHE C :(H bumps) USER MOD NoAdj-H: A 15 HYP H : A 15 HYP N : A 14 ILE C :(H bumps) USER MOD NoAdj-H: A 17 HYP H : A 17 HYP N : A 16 SER C :(H bumps) USER MOD NoAdj-H: A 19 HYP H : A 19 HYP N : A 18 ASN C :(H bumps) USER MOD Single : A 1 TRP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HYP OD1 : rot 29:sc= 0.937 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.101 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= -1.68 X(o=-1.7,f=-2) 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= -2.87! K(o=-2.9!,f=0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 22.251 2.273 20.672 1.00 0.00 N ATOM 2 CA TRP A 1 21.907 3.355 19.766 1.00 0.00 C ATOM 3 C TRP A 1 20.689 2.918 18.948 1.00 0.00 C ATOM 4 O TRP A 1 20.821 2.542 17.784 1.00 0.00 O ATOM 5 CB TRP A 1 23.104 3.744 18.896 1.00 0.00 C ATOM 6 CG TRP A 1 22.971 5.116 18.232 1.00 0.00 C ATOM 7 CD1 TRP A 1 22.780 5.390 16.934 1.00 0.00 C ATOM 8 CD2 TRP A 1 23.028 6.399 18.891 1.00 0.00 C ATOM 9 NE1 TRP A 1 22.711 6.749 16.709 1.00 0.00 N ATOM 10 CE2 TRP A 1 22.865 7.383 17.937 1.00 0.00 C ATOM 11 CE3 TRP A 1 23.210 6.718 20.248 1.00 0.00 C ATOM 12 CZ2 TRP A 1 22.869 8.750 18.238 1.00 0.00 C ATOM 13 CZ3 TRP A 1 23.212 8.088 20.532 1.00 0.00 C ATOM 14 CH2 TRP A 1 23.049 9.091 19.583 1.00 0.00 C ATOM 0 H1 TRP A 1 23.078 2.546 21.241 1.00 0.00 H new ATOM 0 H2 TRP A 1 21.447 2.079 21.302 1.00 0.00 H new ATOM 0 H3 TRP A 1 22.475 1.419 20.123 1.00 0.00 H new ATOM 0 HA TRP A 1 21.648 4.256 20.322 1.00 0.00 H new ATOM 0 HB2 TRP A 1 24.005 3.735 19.510 1.00 0.00 H new ATOM 0 HB3 TRP A 1 23.238 2.989 18.122 1.00 0.00 H new ATOM 0 HD1 TRP A 1 22.691 4.641 16.161 1.00 0.00 H new ATOM 0 HE1 TRP A 1 22.572 7.205 15.807 1.00 0.00 H new ATOM 0 HE3 TRP A 1 23.338 5.965 21.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 22.740 9.501 17.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 23.350 8.387 21.560 1.00 0.00 H new ATOM 0 HH2 TRP A 1 23.061 10.129 19.883 1.00 0.00 H new ATOM 25 N GLU A 2 19.532 2.981 19.589 1.00 0.00 N ATOM 26 CA GLU A 2 18.293 2.597 18.935 1.00 0.00 C ATOM 27 C GLU A 2 17.106 2.819 19.875 1.00 0.00 C ATOM 28 O GLU A 2 17.286 3.200 21.030 1.00 0.00 O ATOM 29 CB GLU A 2 18.351 1.144 18.459 1.00 0.00 C ATOM 30 CG GLU A 2 18.412 0.180 19.646 1.00 0.00 C ATOM 31 CD GLU A 2 18.033 -1.239 19.219 1.00 0.00 C ATOM 32 OE1 GLU A 2 16.814 -1.494 19.114 1.00 0.00 O ATOM 33 OE2 GLU A 2 18.971 -2.036 19.006 1.00 0.00 O ATOM 0 H GLU A 2 19.426 3.292 20.555 1.00 0.00 H new ATOM 0 HA GLU A 2 18.159 3.227 18.056 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.475 0.922 17.850 1.00 0.00 H new ATOM 0 HB3 GLU A 2 19.225 1.000 17.824 1.00 0.00 H new ATOM 0 HG2 GLU A 2 19.417 0.180 20.068 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.736 0.520 20.431 1.00 0.00 H new ATOM 40 N TRP A 3 15.917 2.570 19.345 1.00 0.00 N ATOM 41 CA TRP A 3 14.700 2.737 20.122 1.00 0.00 C ATOM 42 C TRP A 3 13.810 1.518 19.875 1.00 0.00 C ATOM 43 O TRP A 3 13.732 0.943 18.788 1.00 0.00 O ATOM 44 CB TRP A 3 14.011 4.060 19.782 1.00 0.00 C ATOM 45 CG TRP A 3 14.956 5.262 19.743 1.00 0.00 C ATOM 46 CD1 TRP A 3 15.570 5.794 18.677 1.00 0.00 C ATOM 47 CD2 TRP A 3 15.371 6.067 20.866 1.00 0.00 C ATOM 48 NE1 TRP A 3 16.348 6.878 19.031 1.00 0.00 N ATOM 49 CE2 TRP A 3 16.223 7.049 20.405 1.00 0.00 C ATOM 50 CE3 TRP A 3 15.037 5.968 22.229 1.00 0.00 C ATOM 51 CZ2 TRP A 3 16.813 8.008 21.238 1.00 0.00 C ATOM 52 CZ3 TRP A 3 15.635 6.933 23.049 1.00 0.00 C ATOM 53 CH2 TRP A 3 16.495 7.928 22.599 1.00 0.00 C ATOM 0 H TRP A 3 15.771 2.254 18.386 1.00 0.00 H new ATOM 0 HA TRP A 3 14.926 2.792 21.187 1.00 0.00 H new ATOM 0 HB2 TRP A 3 13.521 3.964 18.813 1.00 0.00 H new ATOM 0 HB3 TRP A 3 13.229 4.250 20.517 1.00 0.00 H new ATOM 0 HD1 TRP A 3 15.469 5.422 17.668 1.00 0.00 H new ATOM 0 HE1 TRP A 3 16.911 7.449 18.400 1.00 0.00 H new ATOM 0 HE3 TRP A 3 14.372 5.208 22.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 17.477 8.767 20.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 15.412 6.902 24.105 1.00 0.00 H new ATOM 0 HH2 TRP A 3 16.916 8.637 23.297 1.00 0.00 H new ATOM 64 N PRO A 4 13.104 1.102 20.945 1.00 0.00 N ATOM 65 CA PRO A 4 12.314 -0.157 20.926 1.00 0.00 C ATOM 66 C PRO A 4 11.135 -0.259 19.898 1.00 0.00 C ATOM 67 O PRO A 4 10.041 0.051 20.366 1.00 0.00 O ATOM 68 CB PRO A 4 11.891 -0.255 22.410 1.00 0.00 C ATOM 69 CG PRO A 4 11.879 1.184 22.940 1.00 0.00 C ATOM 70 CD PRO A 4 13.023 1.876 22.196 1.00 0.00 C ATOM 0 HA PRO A 4 12.895 -1.001 20.554 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.907 -0.715 22.506 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.589 -0.873 22.975 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.925 1.672 22.742 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.033 1.211 24.019 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.808 2.928 22.009 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.956 1.837 22.759 1.00 0.00 H new ATOM 78 N TRP A 5 11.332 -0.653 18.649 1.00 0.00 N ATOM 79 CA TRP A 5 10.227 -0.749 17.710 1.00 0.00 C ATOM 80 C TRP A 5 10.587 -1.804 16.662 1.00 0.00 C ATOM 81 O TRP A 5 10.099 -1.755 15.534 1.00 0.00 O ATOM 82 CB TRP A 5 9.907 0.617 17.099 1.00 0.00 C ATOM 83 CG TRP A 5 10.887 1.055 16.008 1.00 0.00 C ATOM 84 CD1 TRP A 5 12.080 1.644 16.159 1.00 0.00 C ATOM 85 CD2 TRP A 5 10.705 0.914 14.583 1.00 0.00 C ATOM 86 NE1 TRP A 5 12.679 1.892 14.942 1.00 0.00 N ATOM 87 CE2 TRP A 5 11.817 1.434 13.953 1.00 0.00 C ATOM 88 CE3 TRP A 5 9.638 0.364 13.851 1.00 0.00 C ATOM 89 CZ2 TRP A 5 11.969 1.456 12.561 1.00 0.00 C ATOM 90 CZ3 TRP A 5 9.805 0.394 12.461 1.00 0.00 C ATOM 91 CH2 TRP A 5 10.918 0.914 11.811 1.00 0.00 C ATOM 0 H TRP A 5 12.241 -0.910 18.265 1.00 0.00 H new ATOM 0 HA TRP A 5 9.315 -1.061 18.218 1.00 0.00 H new ATOM 0 HB2 TRP A 5 8.901 0.590 16.680 1.00 0.00 H new ATOM 0 HB3 TRP A 5 9.902 1.366 17.891 1.00 0.00 H new ATOM 0 HD1 TRP A 5 12.518 1.894 17.114 1.00 0.00 H new ATOM 0 HE1 TRP A 5 13.588 2.331 14.795 1.00 0.00 H new ATOM 0 HE3 TRP A 5 8.759 -0.049 14.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 12.850 1.869 12.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 9.013 -0.016 11.851 1.00 0.00 H new ATOM 0 HH2 TRP A 5 10.972 0.900 10.732 1.00 0.00 H new ATOM 102 N ASN A 6 11.436 -2.734 17.073 1.00 0.00 N ATOM 103 CA ASN A 6 11.868 -3.799 16.183 1.00 0.00 C ATOM 104 C ASN A 6 12.601 -3.192 14.985 1.00 0.00 C ATOM 105 O ASN A 6 12.043 -2.366 14.265 1.00 0.00 O ATOM 106 CB ASN A 6 10.670 -4.591 15.653 1.00 0.00 C ATOM 107 CG ASN A 6 9.927 -5.292 16.792 1.00 0.00 C ATOM 108 OD1 ASN A 6 10.302 -6.359 17.246 1.00 0.00 O ATOM 109 ND2 ASN A 6 8.857 -4.633 17.226 1.00 0.00 N ATOM 0 H ASN A 6 11.837 -2.773 18.010 1.00 0.00 H new ATOM 0 HA ASN A 6 12.522 -4.465 16.746 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.989 -3.920 15.129 1.00 0.00 H new ATOM 0 HB3 ASN A 6 11.010 -5.330 14.928 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.294 -5.018 17.985 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.599 -3.743 16.800 1.00 0.00 H new ATOM 116 N ARG A 7 13.841 -3.625 14.811 1.00 0.00 N ATOM 117 CA ARG A 7 14.657 -3.135 13.713 1.00 0.00 C ATOM 118 C ARG A 7 14.311 -3.880 12.421 1.00 0.00 C ATOM 119 O ARG A 7 15.189 -4.453 11.778 1.00 0.00 O ATOM 120 CB ARG A 7 16.147 -3.312 14.012 1.00 0.00 C ATOM 121 CG ARG A 7 16.642 -2.239 14.983 1.00 0.00 C ATOM 122 CD ARG A 7 17.607 -2.832 16.011 1.00 0.00 C ATOM 123 NE ARG A 7 16.851 -3.364 17.166 1.00 0.00 N ATOM 124 CZ ARG A 7 17.345 -4.244 18.048 1.00 0.00 C ATOM 125 NH1 ARG A 7 18.599 -4.696 17.910 1.00 0.00 N ATOM 126 NH2 ARG A 7 16.586 -4.672 19.065 1.00 0.00 N ATOM 0 H ARG A 7 14.300 -4.310 15.412 1.00 0.00 H new ATOM 0 HA ARG A 7 14.446 -2.072 13.592 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.321 -4.300 14.437 1.00 0.00 H new ATOM 0 HB3 ARG A 7 16.717 -3.259 13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.140 -1.444 14.428 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.792 -1.787 15.495 1.00 0.00 H new ATOM 0 HD2 ARG A 7 18.195 -3.627 15.553 1.00 0.00 H new ATOM 0 HD3 ARG A 7 18.309 -2.068 16.346 1.00 0.00 H new ATOM 0 HE ARG A 7 15.893 -3.041 17.300 1.00 0.00 H new ATOM 0 HH11 ARG A 7 19.176 -4.370 17.135 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.976 -5.366 18.580 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.631 -4.328 19.169 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.963 -5.342 19.736 1.00 0.00 H new ATOM 140 N LYS A 8 13.032 -3.846 12.081 1.00 0.00 N ATOM 141 CA LYS A 8 12.559 -4.511 10.878 1.00 0.00 C ATOM 142 C LYS A 8 11.515 -3.629 10.190 1.00 0.00 C ATOM 143 O LYS A 8 10.304 -3.845 10.266 1.00 0.00 O ATOM 144 CB LYS A 8 12.057 -5.918 11.205 1.00 0.00 C ATOM 145 CG LYS A 8 12.615 -6.944 10.217 1.00 0.00 C ATOM 146 CD LYS A 8 13.568 -7.916 10.914 1.00 0.00 C ATOM 147 CE LYS A 8 12.909 -9.283 11.110 1.00 0.00 C ATOM 148 NZ LYS A 8 13.607 -10.047 12.169 1.00 0.00 N ATOM 0 H LYS A 8 12.308 -3.368 12.617 1.00 0.00 H new ATOM 0 HA LYS A 8 13.377 -4.647 10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.353 -6.187 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.968 -5.935 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.795 -7.498 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.139 -6.430 9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.477 -8.028 10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.865 -7.509 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.860 -9.153 11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.932 -9.842 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.148 -10.972 12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.601 -10.187 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.563 -9.519 13.064 1.00 0.00 H new HETATM 162 N HYP A 9 12.028 -2.569 9.475 1.00 0.00 N HETATM 163 CA HYP A 9 11.189 -1.547 8.819 1.00 0.00 C HETATM 164 C HYP A 9 10.221 -2.057 7.724 1.00 0.00 C HETATM 165 O HYP A 9 10.646 -2.715 6.776 1.00 0.00 O HETATM 166 CB HYP A 9 12.206 -0.558 8.216 1.00 0.00 C HETATM 167 CG HYP A 9 13.479 -0.780 9.035 1.00 0.00 C HETATM 168 CD HYP A 9 13.443 -2.295 9.252 1.00 0.00 C HETATM 169 OD1 HYP A 9 13.320 -0.116 10.278 1.00 0.00 O HETATM 0 HD23 HYP A 9 14.050 -2.593 10.107 1.00 0.00 H new HETATM 0 HD22 HYP A 9 13.825 -2.835 8.386 1.00 0.00 H new HETATM 0 HG HYP A 9 14.400 -0.422 8.575 1.00 0.00 H new HETATM 0 HD1 HYP A 9 12.369 -0.083 10.512 1.00 0.00 H new HETATM 0 HB3 HYP A 9 12.374 -0.756 7.157 1.00 0.00 H new HETATM 0 HB2 HYP A 9 11.856 0.471 8.296 1.00 0.00 H new HETATM 0 HA HYP A 9 10.510 -1.119 9.556 1.00 0.00 H new ATOM 177 N THR A 10 8.982 -1.597 7.823 1.00 0.00 N ATOM 178 CA THR A 10 8.006 -1.850 6.778 1.00 0.00 C ATOM 179 C THR A 10 8.331 -1.024 5.532 1.00 0.00 C ATOM 180 O THR A 10 8.639 0.163 5.633 1.00 0.00 O ATOM 181 CB THR A 10 6.616 -1.563 7.351 1.00 0.00 C ATOM 182 OG1 THR A 10 6.808 -0.411 8.168 1.00 0.00 O ATOM 183 CG2 THR A 10 6.152 -2.641 8.331 1.00 0.00 C ATOM 0 H THR A 10 8.633 -1.051 8.611 1.00 0.00 H new ATOM 0 HA THR A 10 8.033 -2.891 6.455 1.00 0.00 H new ATOM 0 HB THR A 10 5.898 -1.481 6.535 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.955 -0.155 8.578 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.161 -2.388 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.112 -3.603 7.821 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.852 -2.701 9.164 1.00 0.00 H new ATOM 191 N LYS A 11 8.254 -1.684 4.386 1.00 0.00 N ATOM 192 CA LYS A 11 8.538 -1.026 3.122 1.00 0.00 C ATOM 193 C LYS A 11 7.617 -1.592 2.040 1.00 0.00 C ATOM 194 O LYS A 11 8.087 -2.138 1.043 1.00 0.00 O ATOM 195 CB LYS A 11 10.025 -1.136 2.783 1.00 0.00 C ATOM 196 CG LYS A 11 10.482 0.047 1.926 1.00 0.00 C ATOM 197 CD LYS A 11 11.745 -0.301 1.138 1.00 0.00 C ATOM 198 CE LYS A 11 11.866 0.568 -0.116 1.00 0.00 C ATOM 199 NZ LYS A 11 12.352 -0.238 -1.259 1.00 0.00 N ATOM 0 H LYS A 11 7.999 -2.668 4.306 1.00 0.00 H new ATOM 0 HA LYS A 11 8.329 0.042 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.609 -1.171 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.212 -2.069 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.686 0.330 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.674 0.910 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.622 -0.159 1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.723 -1.353 0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.897 1.006 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.551 1.395 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.429 0.366 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.286 -0.635 -1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.683 -1.012 -1.447 1.00 0.00 H new ATOM 213 N PHE A 12 6.322 -1.443 2.272 1.00 0.00 N ATOM 214 CA PHE A 12 5.330 -1.933 1.329 1.00 0.00 C ATOM 215 C PHE A 12 4.245 -0.883 1.080 1.00 0.00 C ATOM 216 O PHE A 12 4.153 0.155 1.741 1.00 0.00 O ATOM 217 CB PHE A 12 4.689 -3.172 1.958 1.00 0.00 C ATOM 218 CG PHE A 12 4.466 -3.060 3.467 1.00 0.00 C ATOM 219 CD1 PHE A 12 3.808 -1.986 3.979 1.00 0.00 C ATOM 220 CD2 PHE A 12 4.925 -4.034 4.297 1.00 0.00 C ATOM 221 CE1 PHE A 12 3.602 -1.882 5.380 1.00 0.00 C ATOM 222 CE2 PHE A 12 4.718 -3.931 5.697 1.00 0.00 C ATOM 223 CZ PHE A 12 4.061 -2.856 6.209 1.00 0.00 C ATOM 0 H PHE A 12 5.935 -0.990 3.100 1.00 0.00 H new ATOM 0 HA PHE A 12 5.804 -2.160 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.731 -3.359 1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.322 -4.037 1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.442 -1.212 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.448 -4.887 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.080 -1.028 5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.082 -4.706 6.356 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.904 -2.776 7.275 1.00 0.00 H new HETATM 233 N HYP A 13 3.371 -1.181 0.057 1.00 0.00 N HETATM 234 CA HYP A 13 2.316 -0.259 -0.407 1.00 0.00 C HETATM 235 C HYP A 13 1.213 0.090 0.621 1.00 0.00 C HETATM 236 O HYP A 13 1.078 -0.586 1.641 1.00 0.00 O HETATM 237 CB HYP A 13 1.702 -0.974 -1.627 1.00 0.00 C HETATM 238 CG HYP A 13 2.797 -1.940 -2.087 1.00 0.00 C HETATM 239 CD HYP A 13 3.384 -2.397 -0.749 1.00 0.00 C HETATM 240 OD1 HYP A 13 3.767 -1.193 -2.803 1.00 0.00 O HETATM 0 HD23 HYP A 13 4.394 -2.791 -0.866 1.00 0.00 H new HETATM 0 HD22 HYP A 13 2.785 -3.186 -0.296 1.00 0.00 H new HETATM 0 HG HYP A 13 2.462 -2.758 -2.725 1.00 0.00 H new HETATM 0 HD1 HYP A 13 4.481 -1.791 -3.107 1.00 0.00 H new HETATM 0 HB3 HYP A 13 0.789 -1.506 -1.359 1.00 0.00 H new HETATM 0 HB2 HYP A 13 1.440 -0.266 -2.413 1.00 0.00 H new HETATM 0 HA HYP A 13 2.762 0.713 -0.618 1.00 0.00 H new ATOM 248 N ILE A 14 0.372 1.037 0.233 1.00 0.00 N ATOM 249 CA ILE A 14 -0.811 1.354 1.013 1.00 0.00 C ATOM 250 C ILE A 14 -1.664 0.094 1.174 1.00 0.00 C ATOM 251 O ILE A 14 -1.936 -0.654 0.231 1.00 0.00 O ATOM 252 CB ILE A 14 -1.564 2.532 0.391 1.00 0.00 C ATOM 253 CG1 ILE A 14 -2.766 2.929 1.250 1.00 0.00 C ATOM 254 CG2 ILE A 14 -1.968 2.223 -1.052 1.00 0.00 C ATOM 255 CD1 ILE A 14 -3.488 4.141 0.656 1.00 0.00 C ATOM 0 H ILE A 14 0.487 1.596 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.530 1.679 2.015 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.892 3.390 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.457 2.090 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.434 3.159 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.502 3.076 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.075 2.026 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.615 1.346 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.338 4.403 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.801 4.985 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.840 3.899 -0.347 1.00 0.00 H new HETATM 267 N HYP A 15 -2.110 -0.148 2.454 1.00 0.00 N HETATM 268 CA HYP A 15 -2.864 -1.358 2.839 1.00 0.00 C HETATM 269 C HYP A 15 -4.010 -1.780 1.889 1.00 0.00 C HETATM 270 O HYP A 15 -4.808 -0.943 1.470 1.00 0.00 O HETATM 271 CB HYP A 15 -3.422 -1.024 4.237 1.00 0.00 C HETATM 272 CG HYP A 15 -2.499 0.081 4.756 1.00 0.00 C HETATM 273 CD HYP A 15 -2.233 0.882 3.479 1.00 0.00 C HETATM 274 OD1 HYP A 15 -1.296 -0.525 5.199 1.00 0.00 O HETATM 0 HD23 HYP A 15 -1.324 1.478 3.561 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -3.048 1.572 3.260 1.00 0.00 H new HETATM 0 HG HYP A 15 -2.898 0.678 5.576 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -0.687 0.165 5.535 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -4.457 -0.686 4.182 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -3.406 -1.896 4.891 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.196 -2.219 2.803 1.00 0.00 H new ATOM 282 N SER A 16 -4.133 -3.087 1.715 1.00 0.00 N ATOM 283 CA SER A 16 -5.263 -3.643 0.990 1.00 0.00 C ATOM 284 C SER A 16 -6.535 -3.521 1.831 1.00 0.00 C ATOM 285 O SER A 16 -7.566 -2.990 1.413 1.00 0.00 O ATOM 286 CB SER A 16 -5.012 -5.104 0.615 1.00 0.00 C ATOM 287 OG SER A 16 -5.336 -5.369 -0.746 1.00 0.00 O ATOM 0 H SER A 16 -3.469 -3.778 2.064 1.00 0.00 H new ATOM 0 HA SER A 16 -5.390 -3.077 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.965 -5.349 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.605 -5.751 1.261 1.00 0.00 H new ATOM 0 HG SER A 16 -5.160 -6.312 -0.946 1.00 0.00 H new HETATM 293 N HYP A 17 -6.448 -4.052 3.100 1.00 0.00 N HETATM 294 CA HYP A 17 -7.588 -4.124 4.034 1.00 0.00 C HETATM 295 C HYP A 17 -8.229 -2.772 4.434 1.00 0.00 C HETATM 296 O HYP A 17 -7.562 -1.917 5.015 1.00 0.00 O HETATM 297 CB HYP A 17 -7.013 -4.832 5.276 1.00 0.00 C HETATM 298 CG HYP A 17 -5.793 -5.590 4.746 1.00 0.00 C HETATM 299 CD HYP A 17 -5.244 -4.601 3.714 1.00 0.00 C HETATM 300 OD1 HYP A 17 -6.256 -6.758 4.088 1.00 0.00 O HETATM 0 HD23 HYP A 17 -4.609 -5.097 2.980 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -4.642 -3.823 4.183 1.00 0.00 H new HETATM 0 HG HYP A 17 -5.065 -5.892 5.499 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -5.491 -7.261 3.737 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -6.732 -4.116 6.048 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -7.741 -5.511 5.720 1.00 0.00 H new HETATM 0 HA HYP A 17 -8.413 -4.645 3.548 1.00 0.00 H new ATOM 308 N ASN A 18 -9.538 -2.703 4.244 1.00 0.00 N ATOM 309 CA ASN A 18 -10.305 -1.567 4.728 1.00 0.00 C ATOM 310 C ASN A 18 -11.782 -1.768 4.380 1.00 0.00 C ATOM 311 O ASN A 18 -12.163 -2.555 3.510 1.00 0.00 O ATOM 312 CB ASN A 18 -9.837 -0.267 4.070 1.00 0.00 C ATOM 313 CG ASN A 18 -9.450 0.772 5.124 1.00 0.00 C ATOM 314 OD1 ASN A 18 -8.853 0.467 6.144 1.00 0.00 O ATOM 315 ND2 ASN A 18 -9.821 2.013 4.823 1.00 0.00 N ATOM 0 H ASN A 18 -10.087 -3.415 3.762 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.162 -1.498 5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.983 -0.469 3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.630 0.130 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.608 2.778 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.318 2.200 3.952 1.00 0.00 H new HETATM 322 N HYP A 19 -12.661 -1.003 5.112 1.00 0.00 N HETATM 323 CA HYP A 19 -14.129 -1.117 5.000 1.00 0.00 C HETATM 324 C HYP A 19 -14.730 -0.845 3.600 1.00 0.00 C HETATM 325 O HYP A 19 -15.055 0.297 3.274 1.00 0.00 O HETATM 326 CB HYP A 19 -14.665 -0.094 6.021 1.00 0.00 C HETATM 327 CG HYP A 19 -13.507 0.100 7.002 1.00 0.00 C HETATM 328 CD HYP A 19 -12.298 0.041 6.064 1.00 0.00 C HETATM 329 OD1 HYP A 19 -13.486 -1.014 7.879 1.00 0.00 O HETATM 0 HD23 HYP A 19 -11.383 -0.206 6.602 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -12.127 0.996 5.567 1.00 0.00 H new HETATM 0 HG HYP A 19 -13.552 1.006 7.607 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -12.750 -0.914 8.518 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -14.939 0.844 5.538 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -15.557 -0.465 6.526 1.00 0.00 H new HETATM 0 HA HYP A 19 -14.420 -2.151 5.188 1.00 0.00 H new ATOM 337 N ARG A 20 -14.994 -1.931 2.889 1.00 0.00 N ATOM 338 CA ARG A 20 -15.714 -1.845 1.630 1.00 0.00 C ATOM 339 C ARG A 20 -15.843 -3.232 0.997 1.00 0.00 C ATOM 340 O ARG A 20 -15.774 -3.370 -0.224 1.00 0.00 O ATOM 341 CB ARG A 20 -15.002 -0.909 0.651 1.00 0.00 C ATOM 342 CG ARG A 20 -15.994 -0.293 -0.338 1.00 0.00 C ATOM 343 CD ARG A 20 -16.176 1.202 -0.073 1.00 0.00 C ATOM 344 NE ARG A 20 -17.370 1.702 -0.788 1.00 0.00 N ATOM 345 CZ ARG A 20 -17.861 2.942 -0.657 1.00 0.00 C ATOM 346 NH1 ARG A 20 -17.263 3.816 0.163 1.00 0.00 N ATOM 347 NH2 ARG A 20 -18.951 3.308 -1.346 1.00 0.00 N ATOM 0 H ARG A 20 -14.722 -2.876 3.161 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.705 -1.445 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.494 -0.118 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.235 -1.461 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.638 -0.445 -1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.956 -0.800 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.282 1.379 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.291 1.748 -0.400 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.850 1.062 -1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.434 3.538 0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.637 4.760 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.407 2.643 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.324 4.252 -1.246 1.00 0.00 H new ATOM 361 N ASP A 21 -16.028 -4.225 1.854 1.00 0.00 N ATOM 362 CA ASP A 21 -16.166 -5.596 1.394 1.00 0.00 C ATOM 363 C ASP A 21 -17.355 -6.249 2.101 1.00 0.00 C ATOM 364 O ASP A 21 -17.404 -6.291 3.330 1.00 0.00 O ATOM 365 CB ASP A 21 -14.916 -6.414 1.717 1.00 0.00 C ATOM 366 CG ASP A 21 -15.139 -7.925 1.816 1.00 0.00 C ATOM 367 OD1 ASP A 21 -15.373 -8.535 0.750 1.00 0.00 O ATOM 368 OD2 ASP A 21 -15.070 -8.436 2.955 1.00 0.00 O ATOM 0 H ASP A 21 -16.086 -4.107 2.866 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.314 -5.576 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.166 -6.222 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.503 -6.060 2.662 1.00 0.00 H new ATOM 373 N LYS A 22 -18.284 -6.741 1.297 1.00 0.00 N ATOM 374 CA LYS A 22 -19.470 -7.391 1.830 1.00 0.00 C ATOM 375 C LYS A 22 -20.311 -6.362 2.588 1.00 0.00 C ATOM 376 O LYS A 22 -21.263 -6.722 3.280 1.00 0.00 O ATOM 377 CB LYS A 22 -19.081 -8.608 2.671 1.00 0.00 C ATOM 378 CG LYS A 22 -19.111 -9.887 1.832 1.00 0.00 C ATOM 379 CD LYS A 22 -18.333 -11.011 2.518 1.00 0.00 C ATOM 380 CE LYS A 22 -19.274 -12.129 2.975 1.00 0.00 C ATOM 381 NZ LYS A 22 -18.513 -13.201 3.656 1.00 0.00 N ATOM 0 H LYS A 22 -18.240 -6.703 0.279 1.00 0.00 H new ATOM 0 HA LYS A 22 -20.090 -7.777 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.083 -8.464 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -19.765 -8.706 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -20.144 -10.198 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.683 -9.691 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.589 -11.415 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.792 -10.613 3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.028 -11.725 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.804 -12.540 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.166 -13.951 3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.810 -13.598 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.027 -12.808 4.487 1.00 0.00 H new ATOM 395 N TRP A 23 -19.930 -5.103 2.434 1.00 0.00 N ATOM 396 CA TRP A 23 -20.637 -4.020 3.096 1.00 0.00 C ATOM 397 C TRP A 23 -22.024 -3.904 2.461 1.00 0.00 C ATOM 398 O TRP A 23 -22.312 -4.564 1.464 1.00 0.00 O ATOM 399 CB TRP A 23 -19.837 -2.718 3.025 1.00 0.00 C ATOM 400 CG TRP A 23 -20.490 -1.632 2.168 1.00 0.00 C ATOM 401 CD1 TRP A 23 -20.568 -1.572 0.831 1.00 0.00 C ATOM 402 CD2 TRP A 23 -21.157 -0.445 2.646 1.00 0.00 C ATOM 403 NE1 TRP A 23 -21.235 -0.438 0.414 1.00 0.00 N ATOM 404 CE2 TRP A 23 -21.604 0.269 1.553 1.00 0.00 C ATOM 405 CE3 TRP A 23 -21.376 0.010 3.958 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -22.298 1.481 1.660 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -22.070 1.222 4.048 1.00 0.00 C ATOM 408 CH2 TRP A 23 -22.527 1.953 2.958 1.00 0.00 C ATOM 0 H TRP A 23 -19.140 -4.808 1.860 1.00 0.00 H new ATOM 0 HA TRP A 23 -20.756 -4.230 4.159 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -19.697 -2.334 4.035 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -18.846 -2.934 2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -20.160 -2.317 0.164 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -21.423 -0.168 -0.552 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -21.036 -0.533 4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -22.638 2.022 0.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -22.264 1.617 5.034 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -23.057 2.882 3.112 1.00 0.00 H new ATOM 419 N CYS A 24 -22.848 -3.061 3.066 1.00 0.00 N ATOM 420 CA CYS A 24 -24.198 -2.850 2.572 1.00 0.00 C ATOM 421 C CYS A 24 -25.061 -2.347 3.732 1.00 0.00 C ATOM 422 O CYS A 24 -26.069 -2.963 4.073 1.00 0.00 O ATOM 423 CB CYS A 24 -24.775 -4.120 1.942 1.00 0.00 C ATOM 424 SG CYS A 24 -24.458 -5.656 2.884 1.00 0.00 S ATOM 0 H CYS A 24 -22.607 -2.516 3.894 1.00 0.00 H new ATOM 0 HA CYS A 24 -24.185 -2.103 1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -25.852 -3.996 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -24.360 -4.233 0.940 1.00 0.00 H new ATOM 429 N ARG A 25 -24.632 -1.231 4.305 1.00 0.00 N ATOM 430 CA ARG A 25 -25.353 -0.638 5.419 1.00 0.00 C ATOM 431 C ARG A 25 -26.703 -0.096 4.949 1.00 0.00 C ATOM 432 O ARG A 25 -27.651 -0.016 5.730 1.00 0.00 O ATOM 433 CB ARG A 25 -24.547 0.498 6.053 1.00 0.00 C ATOM 434 CG ARG A 25 -24.878 0.640 7.540 1.00 0.00 C ATOM 435 CD ARG A 25 -23.640 0.385 8.403 1.00 0.00 C ATOM 436 NE ARG A 25 -22.720 1.541 8.324 1.00 0.00 N ATOM 437 CZ ARG A 25 -22.978 2.744 8.854 1.00 0.00 C ATOM 438 NH1 ARG A 25 -24.129 2.956 9.506 1.00 0.00 N ATOM 439 NH2 ARG A 25 -22.084 3.735 8.734 1.00 0.00 N ATOM 0 H ARG A 25 -23.795 -0.723 4.019 1.00 0.00 H new ATOM 0 HA ARG A 25 -25.511 -1.417 6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -23.481 0.305 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -24.763 1.434 5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -25.263 1.640 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -25.665 -0.064 7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -23.937 0.216 9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -23.132 -0.518 8.066 1.00 0.00 H new ATOM 0 HE ARG A 25 -21.834 1.414 7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -24.809 2.201 9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -24.325 3.872 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -21.207 3.573 8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -22.281 4.651 9.138 1.00 0.00 H new ATOM 453 N LEU A 26 -26.750 0.264 3.674 1.00 0.00 N ATOM 454 CA LEU A 26 -27.969 0.797 3.091 1.00 0.00 C ATOM 455 C LEU A 26 -28.258 0.073 1.774 1.00 0.00 C ATOM 456 O LEU A 26 -27.592 -0.906 1.441 1.00 0.00 O ATOM 457 CB LEU A 26 -27.875 2.317 2.950 1.00 0.00 C ATOM 458 CG LEU A 26 -27.929 3.117 4.252 1.00 0.00 C ATOM 459 CD1 LEU A 26 -26.720 4.046 4.375 1.00 0.00 C ATOM 460 CD2 LEU A 26 -29.251 3.877 4.376 1.00 0.00 C ATOM 0 H LEU A 26 -25.963 0.197 3.029 1.00 0.00 H new ATOM 0 HA LEU A 26 -28.818 0.613 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -26.943 2.557 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -28.688 2.653 2.307 1.00 0.00 H new ATOM 0 HG LEU A 26 -27.883 2.416 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -26.783 4.603 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -25.804 3.455 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -26.710 4.743 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -29.262 4.437 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -29.354 4.567 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -30.080 3.169 4.367 1.00 0.00 H new ATOM 472 N ASN A 27 -29.251 0.583 1.060 1.00 0.00 N ATOM 473 CA ASN A 27 -29.636 -0.003 -0.212 1.00 0.00 C ATOM 474 C ASN A 27 -28.636 0.424 -1.288 1.00 0.00 C ATOM 475 O ASN A 27 -28.703 1.543 -1.795 1.00 0.00 O ATOM 476 CB ASN A 27 -31.024 0.476 -0.642 1.00 0.00 C ATOM 477 CG ASN A 27 -32.010 -0.692 -0.711 1.00 0.00 C ATOM 478 OD1 ASN A 27 -32.953 -0.788 0.056 1.00 0.00 O ATOM 479 ND2 ASN A 27 -31.740 -1.570 -1.672 1.00 0.00 N ATOM 0 H ASN A 27 -29.800 1.396 1.339 1.00 0.00 H new ATOM 0 HA ASN A 27 -29.649 -1.086 -0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -31.389 1.224 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -30.960 0.960 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -32.340 -2.385 -1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -30.933 -1.429 -2.280 1.00 0.00 H new ATOM 486 N LEU A 28 -27.730 -0.490 -1.604 1.00 0.00 N ATOM 487 CA LEU A 28 -26.716 -0.222 -2.611 1.00 0.00 C ATOM 488 C LEU A 28 -27.394 0.007 -3.963 1.00 0.00 C ATOM 489 O LEU A 28 -28.597 0.263 -4.023 1.00 0.00 O ATOM 490 CB LEU A 28 -25.670 -1.339 -2.629 1.00 0.00 C ATOM 491 CG LEU A 28 -24.224 -0.900 -2.867 1.00 0.00 C ATOM 492 CD1 LEU A 28 -23.617 -0.300 -1.598 1.00 0.00 C ATOM 493 CD2 LEU A 28 -23.384 -2.055 -3.414 1.00 0.00 C ATOM 0 H LEU A 28 -27.677 -1.417 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 28 -26.171 0.690 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -25.716 -1.868 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -25.944 -2.054 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 28 -24.225 -0.116 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.589 0.004 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -24.200 0.569 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -23.629 -1.044 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -22.360 -1.716 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -23.386 -2.877 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -23.806 -2.396 -4.360 1.00 0.00 H new ATOM 505 N GLY A 29 -26.595 -0.093 -5.015 1.00 0.00 N ATOM 506 CA GLY A 29 -27.103 0.100 -6.362 1.00 0.00 C ATOM 507 C GLY A 29 -27.136 -1.223 -7.130 1.00 0.00 C ATOM 508 O GLY A 29 -27.163 -2.326 -6.582 1.00 0.00 O ATOM 0 H GLY A 29 -25.599 -0.305 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -28.106 0.525 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -26.476 0.817 -6.892 1.00 0.00 H new ATOM 512 N PRO A 30 -27.135 -1.102 -8.473 1.00 0.00 N ATOM 513 CA PRO A 30 -27.325 -2.274 -9.368 1.00 0.00 C ATOM 514 C PRO A 30 -26.394 -3.515 -9.147 1.00 0.00 C ATOM 515 O PRO A 30 -25.629 -3.735 -10.085 1.00 0.00 O ATOM 516 CB PRO A 30 -27.193 -1.603 -10.754 1.00 0.00 C ATOM 517 CG PRO A 30 -26.316 -0.361 -10.538 1.00 0.00 C ATOM 518 CD PRO A 30 -26.693 0.134 -9.140 1.00 0.00 C ATOM 0 HA PRO A 30 -28.273 -2.780 -9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -26.738 -2.282 -11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -28.171 -1.327 -11.149 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -25.256 -0.608 -10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -26.511 0.399 -11.294 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -25.845 0.590 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -27.485 0.882 -9.174 1.00 0.00 H new ATOM 526 N ALA A 31 -26.456 -4.245 -8.042 1.00 0.00 N ATOM 527 CA ALA A 31 -25.590 -5.397 -7.857 1.00 0.00 C ATOM 528 C ALA A 31 -25.778 -5.948 -6.442 1.00 0.00 C ATOM 529 O ALA A 31 -25.597 -7.142 -6.208 1.00 0.00 O ATOM 530 CB ALA A 31 -24.140 -4.997 -8.138 1.00 0.00 C ATOM 0 H ALA A 31 -27.092 -4.061 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 31 -25.851 -6.190 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -23.491 -5.861 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -24.054 -4.639 -9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.841 -4.205 -7.451 1.00 0.00 H new ATOM 536 N TRP A 32 -26.141 -5.052 -5.535 1.00 0.00 N ATOM 537 CA TRP A 32 -26.356 -5.435 -4.150 1.00 0.00 C ATOM 538 C TRP A 32 -27.836 -5.222 -3.825 1.00 0.00 C ATOM 539 O TRP A 32 -28.690 -5.333 -4.704 1.00 0.00 O ATOM 540 CB TRP A 32 -25.422 -4.661 -3.217 1.00 0.00 C ATOM 541 CG TRP A 32 -24.720 -5.536 -2.176 1.00 0.00 C ATOM 542 CD1 TRP A 32 -25.108 -5.797 -0.920 1.00 0.00 C ATOM 543 CD2 TRP A 32 -23.483 -6.258 -2.352 1.00 0.00 C ATOM 544 NE1 TRP A 32 -24.217 -6.630 -0.277 1.00 0.00 N ATOM 545 CE2 TRP A 32 -23.197 -6.920 -1.177 1.00 0.00 C ATOM 546 CE3 TRP A 32 -22.634 -6.349 -3.470 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -22.060 -7.720 -1.004 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -21.503 -7.152 -3.282 1.00 0.00 C ATOM 549 CH2 TRP A 32 -21.201 -7.825 -2.104 1.00 0.00 C ATOM 0 H TRP A 32 -26.291 -4.063 -5.732 1.00 0.00 H new ATOM 0 HA TRP A 32 -26.114 -6.487 -3.998 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -24.668 -4.150 -3.816 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -25.996 -3.890 -2.702 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -26.007 -5.404 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -24.292 -6.971 0.682 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -22.839 -5.839 -4.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -21.857 -8.228 -0.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -20.817 -7.256 -4.110 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -20.307 -8.427 -2.038 1.00 0.00 H new ATOM 560 N GLY A 33 -28.094 -4.921 -2.562 1.00 0.00 N ATOM 561 CA GLY A 33 -29.456 -4.692 -2.110 1.00 0.00 C ATOM 562 C GLY A 33 -29.506 -4.502 -0.592 1.00 0.00 C ATOM 563 O GLY A 33 -29.047 -5.361 0.160 1.00 0.00 O ATOM 0 H GLY A 33 -27.383 -4.830 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -29.863 -3.810 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -30.084 -5.536 -2.395 1.00 0.00 H new ATOM 567 N GLY A 34 -30.068 -3.373 -0.188 1.00 0.00 N ATOM 568 CA GLY A 34 -30.185 -3.060 1.226 1.00 0.00 C ATOM 569 C GLY A 34 -30.507 -4.315 2.042 1.00 0.00 C ATOM 570 O GLY A 34 -30.122 -4.420 3.205 1.00 0.00 O ATOM 0 H GLY A 34 -30.447 -2.663 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -29.254 -2.619 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -30.967 -2.315 1.374 1.00 0.00 H new ATOM 574 N ARG A 35 -31.211 -5.234 1.397 1.00 0.00 N ATOM 575 CA ARG A 35 -31.590 -6.477 2.048 1.00 0.00 C ATOM 576 C ARG A 35 -30.344 -7.297 2.392 1.00 0.00 C ATOM 577 O ARG A 35 -30.041 -8.283 1.721 1.00 0.00 O ATOM 578 CB ARG A 35 -32.509 -7.309 1.151 1.00 0.00 C ATOM 579 CG ARG A 35 -33.360 -8.272 1.983 1.00 0.00 C ATOM 580 CD ARG A 35 -34.755 -7.692 2.234 1.00 0.00 C ATOM 581 NE ARG A 35 -35.459 -8.493 3.260 1.00 0.00 N ATOM 582 CZ ARG A 35 -35.944 -9.724 3.049 1.00 0.00 C ATOM 583 NH1 ARG A 35 -35.805 -10.302 1.848 1.00 0.00 N ATOM 584 NH2 ARG A 35 -36.568 -10.377 4.039 1.00 0.00 N ATOM 0 H ARG A 35 -31.528 -5.143 0.432 1.00 0.00 H new ATOM 0 HA ARG A 35 -32.126 -6.224 2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -33.158 -6.648 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -31.911 -7.872 0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -33.447 -9.227 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -32.867 -8.469 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -34.673 -6.656 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -35.328 -7.688 1.307 1.00 0.00 H new ATOM 0 HE ARG A 35 -35.583 -8.082 4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -35.330 -9.805 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -36.174 -11.239 1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -36.674 -9.937 4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -36.937 -11.314 3.878 1.00 0.00 H new ATOM 598 N CYS A 36 -29.657 -6.860 3.436 1.00 0.00 N ATOM 599 CA CYS A 36 -28.451 -7.541 3.877 1.00 0.00 C ATOM 600 C CYS A 36 -28.730 -8.177 5.240 1.00 0.00 C ATOM 601 O CYS A 36 -29.328 -9.249 5.317 1.00 0.00 O ATOM 602 CB CYS A 36 -27.251 -6.593 3.924 1.00 0.00 C ATOM 603 SG CYS A 36 -25.977 -6.904 2.648 1.00 0.00 S ATOM 0 H CYS A 36 -29.912 -6.042 3.990 1.00 0.00 H new ATOM 0 HA CYS A 36 -28.187 -8.319 3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -27.610 -5.569 3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -26.786 -6.667 4.907 1.00 0.00 H new TER 608 CYS A 36