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+ 179:sc= 0.00326 (180deg=0.00179) USER MOD Single : A 6 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HYP OD1 : rot -75:sc= 0.902 USER MOD Single : A 10 THR OG1 : rot 110:sc= 0.931 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= -4.77! C(o=-4.8!,f=-6!) 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= -0.0133 X(o=-0.013,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 19.581 15.495 -4.582 1.00 0.00 N ATOM 2 CA TRP A 1 19.166 15.854 -5.926 1.00 0.00 C ATOM 3 C TRP A 1 18.255 14.743 -6.454 1.00 0.00 C ATOM 4 O TRP A 1 17.090 14.986 -6.764 1.00 0.00 O ATOM 5 CB TRP A 1 20.378 16.109 -6.824 1.00 0.00 C ATOM 6 CG TRP A 1 21.147 17.388 -6.483 1.00 0.00 C ATOM 7 CD1 TRP A 1 22.447 17.514 -6.187 1.00 0.00 C ATOM 8 CD2 TRP A 1 20.607 18.725 -6.417 1.00 0.00 C ATOM 9 NE1 TRP A 1 22.783 18.829 -5.935 1.00 0.00 N ATOM 10 CE2 TRP A 1 21.628 19.588 -6.080 1.00 0.00 C ATOM 11 CE3 TRP A 1 19.297 19.188 -6.635 1.00 0.00 C ATOM 12 CZ2 TRP A 1 21.446 20.968 -5.929 1.00 0.00 C ATOM 13 CZ3 TRP A 1 19.132 20.569 -6.481 1.00 0.00 C ATOM 14 CH2 TRP A 1 20.151 21.453 -6.141 1.00 0.00 C ATOM 0 H1 TRP A 1 20.216 16.228 -4.207 1.00 0.00 H new ATOM 0 H2 TRP A 1 18.744 15.416 -3.970 1.00 0.00 H new ATOM 0 H3 TRP A 1 20.081 14.583 -4.605 1.00 0.00 H new ATOM 0 HA TRP A 1 18.606 16.789 -5.919 1.00 0.00 H new ATOM 0 HB2 TRP A 1 21.056 15.259 -6.751 1.00 0.00 H new ATOM 0 HB3 TRP A 1 20.045 16.163 -7.860 1.00 0.00 H new ATOM 0 HD1 TRP A 1 23.145 16.690 -6.150 1.00 0.00 H new ATOM 0 HE1 TRP A 1 23.709 19.179 -5.688 1.00 0.00 H new ATOM 0 HE3 TRP A 1 18.483 18.530 -6.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 22.262 21.623 -5.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 18.144 20.977 -6.637 1.00 0.00 H new ATOM 0 HH2 TRP A 1 19.943 22.508 -6.041 1.00 0.00 H new ATOM 25 N GLU A 2 18.821 13.549 -6.539 1.00 0.00 N ATOM 26 CA GLU A 2 18.074 12.400 -7.023 1.00 0.00 C ATOM 27 C GLU A 2 16.639 12.438 -6.493 1.00 0.00 C ATOM 28 O GLU A 2 16.392 12.938 -5.397 1.00 0.00 O ATOM 29 CB GLU A 2 18.768 11.092 -6.635 1.00 0.00 C ATOM 30 CG GLU A 2 18.993 11.019 -5.124 1.00 0.00 C ATOM 31 CD GLU A 2 20.341 10.372 -4.801 1.00 0.00 C ATOM 32 OE1 GLU A 2 20.741 9.476 -5.575 1.00 0.00 O ATOM 33 OE2 GLU A 2 20.941 10.788 -3.786 1.00 0.00 O ATOM 0 H GLU A 2 19.788 13.352 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 2 18.039 12.446 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.162 10.245 -6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 2 19.724 11.016 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.956 12.022 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.190 10.446 -4.660 1.00 0.00 H new ATOM 40 N TRP A 3 15.732 11.902 -7.296 1.00 0.00 N ATOM 41 CA TRP A 3 14.329 11.869 -6.922 1.00 0.00 C ATOM 42 C TRP A 3 13.730 10.561 -7.446 1.00 0.00 C ATOM 43 O TRP A 3 12.789 10.516 -8.240 1.00 0.00 O ATOM 44 CB TRP A 3 13.594 13.109 -7.433 1.00 0.00 C ATOM 45 CG TRP A 3 14.384 13.919 -8.464 1.00 0.00 C ATOM 46 CD1 TRP A 3 14.680 15.226 -8.434 1.00 0.00 C ATOM 47 CD2 TRP A 3 14.972 13.419 -9.683 1.00 0.00 C ATOM 48 NE1 TRP A 3 15.412 15.603 -9.542 1.00 0.00 N ATOM 49 CE2 TRP A 3 15.595 14.470 -10.325 1.00 0.00 C ATOM 50 CE3 TRP A 3 14.977 12.122 -10.225 1.00 0.00 C ATOM 51 CZ2 TRP A 3 16.269 14.331 -11.545 1.00 0.00 C ATOM 52 CZ3 TRP A 3 15.654 12.001 -11.445 1.00 0.00 C ATOM 53 CH2 TRP A 3 16.286 13.049 -12.104 1.00 0.00 C ATOM 0 H TRP A 3 15.942 11.487 -8.204 1.00 0.00 H new ATOM 0 HA TRP A 3 14.220 11.893 -5.838 1.00 0.00 H new ATOM 0 HB2 TRP A 3 12.647 12.801 -7.876 1.00 0.00 H new ATOM 0 HB3 TRP A 3 13.355 13.752 -6.586 1.00 0.00 H new ATOM 0 HD1 TRP A 3 14.383 15.899 -7.643 1.00 0.00 H new ATOM 0 HE1 TRP A 3 15.755 16.541 -9.748 1.00 0.00 H new ATOM 0 HE3 TRP A 3 14.497 11.285 -9.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 16.750 15.169 -12.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 15.687 11.025 -11.906 1.00 0.00 H new ATOM 0 HH2 TRP A 3 16.788 12.874 -13.044 1.00 0.00 H new ATOM 64 N PRO A 4 14.311 9.440 -6.976 1.00 0.00 N ATOM 65 CA PRO A 4 13.963 8.093 -7.500 1.00 0.00 C ATOM 66 C PRO A 4 12.495 7.588 -7.284 1.00 0.00 C ATOM 67 O PRO A 4 12.347 6.911 -6.268 1.00 0.00 O ATOM 68 CB PRO A 4 15.052 7.229 -6.825 1.00 0.00 C ATOM 69 CG PRO A 4 15.445 7.975 -5.542 1.00 0.00 C ATOM 70 CD PRO A 4 15.328 9.455 -5.910 1.00 0.00 C ATOM 0 HA PRO A 4 13.960 8.064 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.674 6.232 -6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.912 7.101 -7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.783 7.718 -4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.458 7.722 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 4 15.015 10.061 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.277 9.862 -6.260 1.00 0.00 H new ATOM 78 N TRP A 5 11.526 7.875 -8.142 1.00 0.00 N ATOM 79 CA TRP A 5 10.172 7.394 -7.930 1.00 0.00 C ATOM 80 C TRP A 5 9.398 7.569 -9.238 1.00 0.00 C ATOM 81 O TRP A 5 8.280 8.083 -9.237 1.00 0.00 O ATOM 82 CB TRP A 5 9.515 8.104 -6.746 1.00 0.00 C ATOM 83 CG TRP A 5 9.222 9.586 -6.994 1.00 0.00 C ATOM 84 CD1 TRP A 5 10.068 10.621 -6.902 1.00 0.00 C ATOM 85 CD2 TRP A 5 7.955 10.159 -7.383 1.00 0.00 C ATOM 86 NE1 TRP A 5 9.442 11.814 -7.201 1.00 0.00 N ATOM 87 CE2 TRP A 5 8.117 11.524 -7.502 1.00 0.00 C ATOM 88 CE3 TRP A 5 6.715 9.543 -7.625 1.00 0.00 C ATOM 89 CZ2 TRP A 5 7.079 12.389 -7.868 1.00 0.00 C ATOM 90 CZ3 TRP A 5 5.688 10.422 -7.989 1.00 0.00 C ATOM 91 CH2 TRP A 5 5.834 11.798 -8.115 1.00 0.00 C ATOM 0 H TRP A 5 11.653 8.435 -8.985 1.00 0.00 H new ATOM 0 HA TRP A 5 10.176 6.336 -7.667 1.00 0.00 H new ATOM 0 HB2 TRP A 5 8.582 7.595 -6.503 1.00 0.00 H new ATOM 0 HB3 TRP A 5 10.164 8.013 -5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 5 11.109 10.533 -6.628 1.00 0.00 H new ATOM 0 HE1 TRP A 5 9.873 12.739 -7.201 1.00 0.00 H new ATOM 0 HE3 TRP A 5 6.566 8.477 -7.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 7.230 13.455 -7.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 4.713 10.001 -8.186 1.00 0.00 H new ATOM 0 HH2 TRP A 5 4.991 12.409 -8.402 1.00 0.00 H new ATOM 102 N ASN A 6 10.023 7.133 -10.321 1.00 0.00 N ATOM 103 CA ASN A 6 9.406 7.235 -11.634 1.00 0.00 C ATOM 104 C ASN A 6 9.397 5.858 -12.298 1.00 0.00 C ATOM 105 O ASN A 6 9.820 4.872 -11.696 1.00 0.00 O ATOM 106 CB ASN A 6 10.189 8.192 -12.536 1.00 0.00 C ATOM 107 CG ASN A 6 9.893 9.650 -12.178 1.00 0.00 C ATOM 108 OD1 ASN A 6 9.197 9.952 -11.223 1.00 0.00 O ATOM 109 ND2 ASN A 6 10.459 10.533 -12.996 1.00 0.00 N ATOM 0 H ASN A 6 10.950 6.708 -10.317 1.00 0.00 H new ATOM 0 HA ASN A 6 8.392 7.612 -11.502 1.00 0.00 H new ATOM 0 HB2 ASN A 6 11.257 7.999 -12.436 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.928 8.010 -13.579 1.00 0.00 H new ATOM 0 HD21 ASN A 6 10.322 11.532 -12.842 1.00 0.00 H new ATOM 0 HD22 ASN A 6 11.030 10.211 -13.777 1.00 0.00 H new ATOM 116 N ARG A 7 8.912 5.834 -13.531 1.00 0.00 N ATOM 117 CA ARG A 7 8.844 4.593 -14.283 1.00 0.00 C ATOM 118 C ARG A 7 8.501 3.427 -13.355 1.00 0.00 C ATOM 119 O ARG A 7 9.393 2.757 -12.837 1.00 0.00 O ATOM 120 CB ARG A 7 10.171 4.302 -14.987 1.00 0.00 C ATOM 121 CG ARG A 7 9.938 3.842 -16.428 1.00 0.00 C ATOM 122 CD ARG A 7 11.119 4.225 -17.323 1.00 0.00 C ATOM 123 NE ARG A 7 10.652 4.438 -18.712 1.00 0.00 N ATOM 124 CZ ARG A 7 9.834 5.432 -19.085 1.00 0.00 C ATOM 125 NH1 ARG A 7 9.386 6.308 -18.175 1.00 0.00 N ATOM 126 NH2 ARG A 7 9.462 5.549 -20.367 1.00 0.00 N ATOM 0 H ARG A 7 8.563 6.654 -14.027 1.00 0.00 H new ATOM 0 HA ARG A 7 8.063 4.704 -15.035 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.793 5.197 -14.983 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.716 3.533 -14.440 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.795 2.762 -16.450 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.023 4.292 -16.814 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.593 5.132 -16.946 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.873 3.439 -17.301 1.00 0.00 H new ATOM 0 HE ARG A 7 10.973 3.788 -19.429 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.668 6.218 -17.199 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.763 7.065 -18.459 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.801 4.881 -21.059 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.839 6.306 -20.650 1.00 0.00 H new ATOM 140 N LYS A 8 7.205 3.219 -13.171 1.00 0.00 N ATOM 141 CA LYS A 8 6.732 2.146 -12.314 1.00 0.00 C ATOM 142 C LYS A 8 7.524 2.159 -11.005 1.00 0.00 C ATOM 143 O LYS A 8 8.521 1.457 -10.819 1.00 0.00 O ATOM 144 CB LYS A 8 6.787 0.807 -13.052 1.00 0.00 C ATOM 145 CG LYS A 8 7.017 -0.349 -12.076 1.00 0.00 C ATOM 146 CD LYS A 8 6.476 -1.662 -12.644 1.00 0.00 C ATOM 147 CE LYS A 8 5.229 -2.116 -11.883 1.00 0.00 C ATOM 148 NZ LYS A 8 4.003 -1.678 -12.588 1.00 0.00 N ATOM 0 H LYS A 8 6.467 3.777 -13.602 1.00 0.00 H new ATOM 0 HA LYS A 8 5.684 2.298 -12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.855 0.649 -13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.588 0.828 -13.791 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.083 -0.449 -11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.528 -0.131 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.236 -1.534 -13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.244 -2.433 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.231 -3.202 -11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.242 -1.705 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.166 -1.994 -12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.996 -0.640 -12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.985 -2.091 -13.542 1.00 0.00 H new HETATM 162 N HYP A 9 7.041 3.016 -10.040 1.00 0.00 N HETATM 163 CA HYP A 9 7.713 3.249 -8.747 1.00 0.00 C HETATM 164 C HYP A 9 7.879 2.013 -7.831 1.00 0.00 C HETATM 165 O HYP A 9 7.572 0.894 -8.237 1.00 0.00 O HETATM 166 CB HYP A 9 6.838 4.314 -8.056 1.00 0.00 C HETATM 167 CG HYP A 9 6.090 4.992 -9.206 1.00 0.00 C HETATM 168 CD HYP A 9 5.818 3.806 -10.135 1.00 0.00 C HETATM 169 OD1 HYP A 9 6.984 5.895 -9.836 1.00 0.00 O HETATM 0 HD23 HYP A 9 5.628 4.132 -11.158 1.00 0.00 H new HETATM 0 HD22 HYP A 9 4.946 3.236 -9.815 1.00 0.00 H new HETATM 0 HG HYP A 9 5.195 5.545 -8.921 1.00 0.00 H new HETATM 0 HD1 HYP A 9 7.102 6.687 -9.271 1.00 0.00 H new HETATM 0 HB3 HYP A 9 6.148 3.861 -7.344 1.00 0.00 H new HETATM 0 HB2 HYP A 9 7.445 5.028 -7.500 1.00 0.00 H new HETATM 0 HA HYP A 9 8.745 3.549 -8.932 1.00 0.00 H new ATOM 177 N THR A 10 8.214 2.292 -6.580 1.00 0.00 N ATOM 178 CA THR A 10 8.242 1.254 -5.564 1.00 0.00 C ATOM 179 C THR A 10 6.862 0.606 -5.426 1.00 0.00 C ATOM 180 O THR A 10 5.845 1.297 -5.418 1.00 0.00 O ATOM 181 CB THR A 10 8.751 1.878 -4.263 1.00 0.00 C ATOM 182 OG1 THR A 10 8.169 3.179 -4.252 1.00 0.00 O ATOM 183 CG2 THR A 10 10.257 2.144 -4.293 1.00 0.00 C ATOM 0 H THR A 10 8.468 3.222 -6.247 1.00 0.00 H new ATOM 0 HA THR A 10 8.920 0.448 -5.842 1.00 0.00 H new ATOM 0 HB THR A 10 8.515 1.220 -3.427 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.480 3.223 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.567 2.587 -3.347 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.789 1.205 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.489 2.830 -5.108 1.00 0.00 H new ATOM 191 N LYS A 11 6.873 -0.715 -5.321 1.00 0.00 N ATOM 192 CA LYS A 11 5.634 -1.465 -5.185 1.00 0.00 C ATOM 193 C LYS A 11 5.552 -2.052 -3.774 1.00 0.00 C ATOM 194 O LYS A 11 5.944 -3.196 -3.551 1.00 0.00 O ATOM 195 CB LYS A 11 5.517 -2.511 -6.295 1.00 0.00 C ATOM 196 CG LYS A 11 4.135 -2.462 -6.950 1.00 0.00 C ATOM 197 CD LYS A 11 3.641 -3.869 -7.292 1.00 0.00 C ATOM 198 CE LYS A 11 4.526 -4.518 -8.358 1.00 0.00 C ATOM 199 NZ LYS A 11 3.792 -5.594 -9.059 1.00 0.00 N ATOM 0 H LYS A 11 7.719 -1.285 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 11 4.774 -0.807 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.286 -2.336 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.693 -3.505 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.427 -1.977 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.179 -1.858 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.637 -4.485 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.612 -3.820 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.852 -3.765 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.424 -4.926 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.408 -6.023 -9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.503 -6.321 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.948 -5.196 -9.519 1.00 0.00 H new ATOM 213 N PHE A 12 5.040 -1.242 -2.860 1.00 0.00 N ATOM 214 CA PHE A 12 4.900 -1.667 -1.478 1.00 0.00 C ATOM 215 C PHE A 12 3.448 -1.552 -1.012 1.00 0.00 C ATOM 216 O PHE A 12 2.587 -0.939 -1.649 1.00 0.00 O ATOM 217 CB PHE A 12 5.769 -0.733 -0.633 1.00 0.00 C ATOM 218 CG PHE A 12 5.849 0.698 -1.170 1.00 0.00 C ATOM 219 CD1 PHE A 12 4.709 1.386 -1.445 1.00 0.00 C ATOM 220 CD2 PHE A 12 7.061 1.281 -1.373 1.00 0.00 C ATOM 221 CE1 PHE A 12 4.782 2.714 -1.943 1.00 0.00 C ATOM 222 CE2 PHE A 12 7.135 2.608 -1.872 1.00 0.00 C ATOM 223 CZ PHE A 12 5.995 3.297 -2.146 1.00 0.00 C ATOM 0 H PHE A 12 4.717 -0.293 -3.049 1.00 0.00 H new ATOM 0 HA PHE A 12 5.204 -2.709 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.375 -0.707 0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.776 -1.145 -0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.747 0.922 -1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.967 0.735 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.876 3.261 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.097 3.071 -2.034 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.052 4.307 -2.525 1.00 0.00 H new HETATM 233 N HYP A 13 3.165 -2.186 0.178 1.00 0.00 N HETATM 234 CA HYP A 13 1.808 -2.277 0.751 1.00 0.00 C HETATM 235 C HYP A 13 1.117 -0.933 1.088 1.00 0.00 C HETATM 236 O HYP A 13 1.689 -0.100 1.789 1.00 0.00 O HETATM 237 CB HYP A 13 1.995 -3.118 2.030 1.00 0.00 C HETATM 238 CG HYP A 13 3.294 -3.890 1.784 1.00 0.00 C HETATM 239 CD HYP A 13 4.135 -2.847 1.043 1.00 0.00 C HETATM 240 OD1 HYP A 13 3.002 -4.972 0.916 1.00 0.00 O HETATM 0 HD23 HYP A 13 4.936 -3.311 0.468 1.00 0.00 H new HETATM 0 HD22 HYP A 13 4.603 -2.145 1.732 1.00 0.00 H new HETATM 0 HG HYP A 13 3.775 -4.292 2.675 1.00 0.00 H new HETATM 0 HD1 HYP A 13 3.821 -5.482 0.742 1.00 0.00 H new HETATM 0 HB3 HYP A 13 2.069 -2.486 2.915 1.00 0.00 H new HETATM 0 HB2 HYP A 13 1.154 -3.793 2.189 1.00 0.00 H new HETATM 0 HA HYP A 13 1.138 -2.710 0.008 1.00 0.00 H new ATOM 248 N ILE A 14 -0.147 -0.848 0.700 1.00 0.00 N ATOM 249 CA ILE A 14 -0.975 0.279 1.092 1.00 0.00 C ATOM 250 C ILE A 14 -1.757 -0.084 2.357 1.00 0.00 C ATOM 251 O ILE A 14 -2.338 -1.163 2.499 1.00 0.00 O ATOM 252 CB ILE A 14 -1.863 0.723 -0.072 1.00 0.00 C ATOM 253 CG1 ILE A 14 -1.139 0.550 -1.409 1.00 0.00 C ATOM 254 CG2 ILE A 14 -2.356 2.157 0.131 1.00 0.00 C ATOM 255 CD1 ILE A 14 -2.073 0.856 -2.582 1.00 0.00 C ATOM 0 H ILE A 14 -0.618 -1.541 0.118 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.354 1.141 1.336 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.743 0.080 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.274 1.212 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.764 -0.470 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.985 2.448 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.934 2.216 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.501 2.830 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.534 0.725 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.925 0.177 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.427 1.884 -2.507 1.00 0.00 H new HETATM 267 N HYP A 15 -1.766 0.886 3.334 1.00 0.00 N HETATM 268 CA HYP A 15 -2.380 0.699 4.664 1.00 0.00 C HETATM 269 C HYP A 15 -3.778 0.037 4.683 1.00 0.00 C HETATM 270 O HYP A 15 -4.650 0.403 3.897 1.00 0.00 O HETATM 271 CB HYP A 15 -2.453 2.123 5.249 1.00 0.00 C HETATM 272 CG HYP A 15 -1.392 2.904 4.471 1.00 0.00 C HETATM 273 CD HYP A 15 -1.535 2.303 3.070 1.00 0.00 C HETATM 274 OD1 HYP A 15 -0.122 2.570 5.007 1.00 0.00 O HETATM 0 HD23 HYP A 15 -0.637 2.460 2.472 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -2.365 2.751 2.523 1.00 0.00 H new HETATM 0 HG HYP A 15 -1.495 3.989 4.498 1.00 0.00 H new HETATM 0 HD1 HYP A 15 0.576 3.058 4.522 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -3.444 2.557 5.117 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -2.244 2.125 6.319 1.00 0.00 H new HETATM 0 HA HYP A 15 -1.776 -0.004 5.238 1.00 0.00 H new ATOM 282 N SER A 16 -3.979 -0.804 5.687 1.00 0.00 N ATOM 283 CA SER A 16 -5.294 -1.372 5.936 1.00 0.00 C ATOM 284 C SER A 16 -5.806 -2.077 4.679 1.00 0.00 C ATOM 285 O SER A 16 -5.293 -1.922 3.568 1.00 0.00 O ATOM 286 CB SER A 16 -6.283 -0.293 6.381 1.00 0.00 C ATOM 287 OG SER A 16 -6.275 -0.109 7.794 1.00 0.00 O ATOM 0 H SER A 16 -3.254 -1.106 6.338 1.00 0.00 H new ATOM 0 HA SER A 16 -5.206 -2.101 6.742 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.036 0.649 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.287 -0.566 6.057 1.00 0.00 H new ATOM 0 HG SER A 16 -6.918 0.589 8.037 1.00 0.00 H new HETATM 293 N HYP A 17 -6.889 -2.905 4.877 1.00 0.00 N HETATM 294 CA HYP A 17 -7.474 -3.749 3.816 1.00 0.00 C HETATM 295 C HYP A 17 -8.048 -3.003 2.588 1.00 0.00 C HETATM 296 O HYP A 17 -7.796 -1.812 2.411 1.00 0.00 O HETATM 297 CB HYP A 17 -8.589 -4.535 4.533 1.00 0.00 C HETATM 298 CG HYP A 17 -8.186 -4.498 6.010 1.00 0.00 C HETATM 299 CD HYP A 17 -7.608 -3.085 6.134 1.00 0.00 C HETATM 300 OD1 HYP A 17 -7.158 -5.453 6.207 1.00 0.00 O HETATM 0 HD23 HYP A 17 -6.944 -2.996 6.994 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -8.393 -2.339 6.259 1.00 0.00 H new HETATM 0 HG HYP A 17 -8.986 -4.712 6.719 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -6.881 -5.447 7.147 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -9.565 -4.076 4.375 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -8.655 -5.558 4.164 1.00 0.00 H new HETATM 0 HA HYP A 17 -6.687 -4.362 3.376 1.00 0.00 H new ATOM 308 N ASN A 18 -8.921 -3.699 1.875 1.00 0.00 N ATOM 309 CA ASN A 18 -9.670 -3.078 0.796 1.00 0.00 C ATOM 310 C ASN A 18 -10.703 -4.072 0.259 1.00 0.00 C ATOM 311 O ASN A 18 -10.736 -5.255 0.607 1.00 0.00 O ATOM 312 CB ASN A 18 -8.748 -2.684 -0.359 1.00 0.00 C ATOM 313 CG ASN A 18 -8.981 -1.232 -0.777 1.00 0.00 C ATOM 314 OD1 ASN A 18 -9.308 -0.372 0.025 1.00 0.00 O ATOM 315 ND2 ASN A 18 -8.797 -1.006 -2.075 1.00 0.00 N ATOM 0 H ASN A 18 -9.126 -4.687 2.023 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.154 -2.185 1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.708 -2.818 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.923 -3.343 -1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.929 -0.068 -2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.523 -1.771 -2.692 1.00 0.00 H new HETATM 322 N HYP A 19 -11.599 -3.548 -0.646 1.00 0.00 N HETATM 323 CA HYP A 19 -12.731 -4.313 -1.207 1.00 0.00 C HETATM 324 C HYP A 19 -12.366 -5.432 -2.212 1.00 0.00 C HETATM 325 O HYP A 19 -13.248 -5.999 -2.856 1.00 0.00 O HETATM 326 CB HYP A 19 -13.605 -3.243 -1.889 1.00 0.00 C HETATM 327 CG HYP A 19 -13.213 -1.936 -1.195 1.00 0.00 C HETATM 328 CD HYP A 19 -11.708 -2.137 -0.996 1.00 0.00 C HETATM 329 OD1 HYP A 19 -13.861 -1.900 0.066 1.00 0.00 O HETATM 0 HD23 HYP A 19 -11.318 -1.496 -0.206 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -11.148 -1.903 -1.902 1.00 0.00 H new HETATM 0 HG HYP A 19 -13.470 -1.023 -1.733 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -13.624 -1.071 0.532 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -13.414 -3.197 -2.961 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -14.666 -3.457 -1.764 1.00 0.00 H new HETATM 0 HA HYP A 19 -13.221 -4.864 -0.405 1.00 0.00 H new ATOM 337 N ARG A 20 -11.096 -5.806 -2.188 1.00 0.00 N ATOM 338 CA ARG A 20 -10.640 -6.957 -2.949 1.00 0.00 C ATOM 339 C ARG A 20 -10.358 -8.134 -2.014 1.00 0.00 C ATOM 340 O ARG A 20 -9.520 -8.983 -2.315 1.00 0.00 O ATOM 341 CB ARG A 20 -9.373 -6.626 -3.741 1.00 0.00 C ATOM 342 CG ARG A 20 -8.604 -5.475 -3.088 1.00 0.00 C ATOM 343 CD ARG A 20 -7.257 -5.254 -3.780 1.00 0.00 C ATOM 344 NE ARG A 20 -6.455 -4.268 -3.022 1.00 0.00 N ATOM 345 CZ ARG A 20 -5.192 -3.937 -3.323 1.00 0.00 C ATOM 346 NH1 ARG A 20 -4.580 -4.509 -4.370 1.00 0.00 N ATOM 347 NH2 ARG A 20 -4.541 -3.033 -2.579 1.00 0.00 N ATOM 0 H ARG A 20 -10.368 -5.332 -1.653 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.431 -7.227 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.735 -7.508 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.639 -6.357 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.197 -4.562 -3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.443 -5.693 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.716 -6.198 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.416 -4.900 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.891 -3.812 -2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.076 -5.196 -4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.619 -4.257 -4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.007 -2.597 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.580 -2.781 -2.808 1.00 0.00 H new ATOM 361 N ASP A 21 -11.071 -8.147 -0.899 1.00 0.00 N ATOM 362 CA ASP A 21 -10.907 -9.206 0.083 1.00 0.00 C ATOM 363 C ASP A 21 -11.588 -10.478 -0.428 1.00 0.00 C ATOM 364 O ASP A 21 -12.798 -10.641 -0.277 1.00 0.00 O ATOM 365 CB ASP A 21 -11.553 -8.826 1.416 1.00 0.00 C ATOM 366 CG ASP A 21 -11.015 -7.543 2.054 1.00 0.00 C ATOM 367 OD1 ASP A 21 -9.820 -7.255 1.826 1.00 0.00 O ATOM 368 OD2 ASP A 21 -11.811 -6.880 2.753 1.00 0.00 O ATOM 0 H ASP A 21 -11.765 -7.441 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.839 -9.365 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.627 -8.715 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.414 -9.649 2.117 1.00 0.00 H new ATOM 373 N LYS A 22 -10.782 -11.345 -1.021 1.00 0.00 N ATOM 374 CA LYS A 22 -11.292 -12.598 -1.554 1.00 0.00 C ATOM 375 C LYS A 22 -12.537 -12.318 -2.398 1.00 0.00 C ATOM 376 O LYS A 22 -13.378 -13.197 -2.579 1.00 0.00 O ATOM 377 CB LYS A 22 -11.526 -13.604 -0.426 1.00 0.00 C ATOM 378 CG LYS A 22 -11.046 -15.000 -0.828 1.00 0.00 C ATOM 379 CD LYS A 22 -11.700 -16.076 0.042 1.00 0.00 C ATOM 380 CE LYS A 22 -13.196 -16.186 -0.253 1.00 0.00 C ATOM 381 NZ LYS A 22 -13.514 -17.509 -0.835 1.00 0.00 N ATOM 0 H LYS A 22 -9.779 -11.206 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.557 -13.060 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.999 -13.279 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.587 -13.638 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.282 -15.182 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.962 -15.058 -0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.219 -17.037 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.550 -15.838 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.765 -16.040 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.496 -15.397 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.534 -17.567 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.985 -17.634 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.247 -18.257 -0.164 1.00 0.00 H new ATOM 395 N TRP A 23 -12.615 -11.091 -2.892 1.00 0.00 N ATOM 396 CA TRP A 23 -13.743 -10.685 -3.712 1.00 0.00 C ATOM 397 C TRP A 23 -13.906 -11.712 -4.833 1.00 0.00 C ATOM 398 O TRP A 23 -13.079 -12.609 -4.984 1.00 0.00 O ATOM 399 CB TRP A 23 -13.558 -9.258 -4.231 1.00 0.00 C ATOM 400 CG TRP A 23 -13.377 -9.165 -5.747 1.00 0.00 C ATOM 401 CD1 TRP A 23 -12.304 -9.508 -6.473 1.00 0.00 C ATOM 402 CD2 TRP A 23 -14.347 -8.683 -6.701 1.00 0.00 C ATOM 403 NE1 TRP A 23 -12.510 -9.283 -7.818 1.00 0.00 N ATOM 404 CE2 TRP A 23 -13.792 -8.765 -7.962 1.00 0.00 C ATOM 405 CE3 TRP A 23 -15.649 -8.193 -6.505 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -14.467 -8.375 -9.125 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -16.312 -7.808 -7.677 1.00 0.00 C ATOM 408 CH2 TRP A 23 -15.767 -7.884 -8.954 1.00 0.00 C ATOM 0 H TRP A 23 -11.915 -10.365 -2.740 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.660 -10.664 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.424 -8.662 -3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -12.689 -8.815 -3.744 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.392 -9.910 -6.057 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -11.844 -9.464 -8.569 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -16.103 -8.119 -5.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -14.010 -8.449 -10.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -17.317 -7.425 -7.582 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -16.344 -7.566 -9.810 1.00 0.00 H new ATOM 419 N CYS A 24 -14.980 -11.547 -5.592 1.00 0.00 N ATOM 420 CA CYS A 24 -15.262 -12.449 -6.696 1.00 0.00 C ATOM 421 C CYS A 24 -16.768 -12.422 -6.965 1.00 0.00 C ATOM 422 O CYS A 24 -17.499 -13.301 -6.513 1.00 0.00 O ATOM 423 CB CYS A 24 -14.759 -13.866 -6.411 1.00 0.00 C ATOM 424 SG CYS A 24 -15.618 -15.187 -7.342 1.00 0.00 S ATOM 0 H CYS A 24 -15.665 -10.802 -5.464 1.00 0.00 H new ATOM 0 HA CYS A 24 -14.728 -12.117 -7.586 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -13.695 -13.912 -6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.863 -14.066 -5.345 1.00 0.00 H new ATOM 429 N ARG A 25 -17.187 -11.403 -7.702 1.00 0.00 N ATOM 430 CA ARG A 25 -18.592 -11.249 -8.037 1.00 0.00 C ATOM 431 C ARG A 25 -18.800 -11.417 -9.543 1.00 0.00 C ATOM 432 O ARG A 25 -19.911 -11.690 -9.994 1.00 0.00 O ATOM 433 CB ARG A 25 -19.115 -9.878 -7.605 1.00 0.00 C ATOM 434 CG ARG A 25 -20.565 -9.969 -7.127 1.00 0.00 C ATOM 435 CD ARG A 25 -20.876 -8.869 -6.109 1.00 0.00 C ATOM 436 NE ARG A 25 -21.516 -7.720 -6.787 1.00 0.00 N ATOM 437 CZ ARG A 25 -22.282 -6.812 -6.166 1.00 0.00 C ATOM 438 NH1 ARG A 25 -22.508 -6.916 -4.850 1.00 0.00 N ATOM 439 NH2 ARG A 25 -22.822 -5.802 -6.861 1.00 0.00 N ATOM 0 H ARG A 25 -16.577 -10.676 -8.076 1.00 0.00 H new ATOM 0 HA ARG A 25 -19.147 -12.020 -7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -18.489 -9.482 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -19.047 -9.180 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -21.239 -9.882 -7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -20.743 -10.946 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -21.535 -9.257 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -19.958 -8.547 -5.617 1.00 0.00 H new ATOM 0 HE ARG A 25 -21.365 -7.612 -7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -22.097 -7.686 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -23.091 -6.226 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -22.650 -5.724 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -23.405 -5.111 -6.388 1.00 0.00 H new ATOM 453 N LEU A 26 -17.712 -11.245 -10.281 1.00 0.00 N ATOM 454 CA LEU A 26 -17.761 -11.372 -11.727 1.00 0.00 C ATOM 455 C LEU A 26 -16.702 -12.379 -12.183 1.00 0.00 C ATOM 456 O LEU A 26 -16.080 -13.046 -11.357 1.00 0.00 O ATOM 457 CB LEU A 26 -17.631 -10.000 -12.392 1.00 0.00 C ATOM 458 CG LEU A 26 -18.829 -9.063 -12.234 1.00 0.00 C ATOM 459 CD1 LEU A 26 -18.441 -7.802 -11.459 1.00 0.00 C ATOM 460 CD2 LEU A 26 -19.450 -8.732 -13.593 1.00 0.00 C ATOM 0 H LEU A 26 -16.792 -11.019 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 26 -18.729 -11.762 -12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -16.750 -9.503 -11.985 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -17.450 -10.150 -13.456 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.591 -9.579 -11.649 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.311 -7.153 -11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.082 -8.080 -10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.653 -7.273 -11.995 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -20.300 -8.064 -13.452 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.707 -8.245 -14.224 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.787 -9.651 -14.073 1.00 0.00 H new ATOM 472 N ASN A 27 -16.529 -12.456 -13.493 1.00 0.00 N ATOM 473 CA ASN A 27 -15.556 -13.369 -14.067 1.00 0.00 C ATOM 474 C ASN A 27 -14.147 -12.829 -13.817 1.00 0.00 C ATOM 475 O ASN A 27 -13.761 -11.804 -14.377 1.00 0.00 O ATOM 476 CB ASN A 27 -15.750 -13.501 -15.580 1.00 0.00 C ATOM 477 CG ASN A 27 -16.196 -14.916 -15.954 1.00 0.00 C ATOM 478 OD1 ASN A 27 -17.129 -15.468 -15.395 1.00 0.00 O ATOM 479 ND2 ASN A 27 -15.480 -15.470 -16.928 1.00 0.00 N ATOM 0 H ASN A 27 -17.046 -11.901 -14.174 1.00 0.00 H new ATOM 0 HA ASN A 27 -15.692 -14.344 -13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -16.494 -12.780 -15.919 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.818 -13.262 -16.092 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.700 -16.413 -17.250 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.711 -14.952 -17.354 1.00 0.00 H new ATOM 486 N LEU A 28 -13.414 -13.544 -12.976 1.00 0.00 N ATOM 487 CA LEU A 28 -12.056 -13.150 -12.644 1.00 0.00 C ATOM 488 C LEU A 28 -11.113 -13.597 -13.762 1.00 0.00 C ATOM 489 O LEU A 28 -11.534 -13.764 -14.905 1.00 0.00 O ATOM 490 CB LEU A 28 -11.667 -13.680 -11.262 1.00 0.00 C ATOM 491 CG LEU A 28 -10.958 -12.687 -10.338 1.00 0.00 C ATOM 492 CD1 LEU A 28 -10.358 -11.528 -11.136 1.00 0.00 C ATOM 493 CD2 LEU A 28 -11.896 -12.197 -9.234 1.00 0.00 C ATOM 0 H LEU A 28 -13.736 -14.395 -12.514 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.979 -12.065 -12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.570 -14.030 -10.762 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.020 -14.547 -11.396 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.132 -13.205 -9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.860 -10.837 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.634 -11.916 -11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.151 -11.004 -11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.366 -11.493 -8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.758 -11.702 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.233 -13.046 -8.640 1.00 0.00 H new ATOM 505 N GLY A 29 -9.853 -13.778 -13.392 1.00 0.00 N ATOM 506 CA GLY A 29 -8.846 -14.203 -14.350 1.00 0.00 C ATOM 507 C GLY A 29 -7.509 -14.469 -13.657 1.00 0.00 C ATOM 508 O GLY A 29 -7.294 -15.455 -12.950 1.00 0.00 O ATOM 0 H GLY A 29 -9.507 -13.638 -12.443 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.182 -15.106 -14.860 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.718 -13.435 -15.113 1.00 0.00 H new ATOM 512 N PRO A 30 -6.559 -13.538 -13.874 1.00 0.00 N ATOM 513 CA PRO A 30 -5.157 -13.718 -13.410 1.00 0.00 C ATOM 514 C PRO A 30 -4.924 -13.944 -11.877 1.00 0.00 C ATOM 515 O PRO A 30 -4.206 -13.092 -11.354 1.00 0.00 O ATOM 516 CB PRO A 30 -4.496 -12.447 -13.988 1.00 0.00 C ATOM 517 CG PRO A 30 -5.617 -11.407 -14.107 1.00 0.00 C ATOM 518 CD PRO A 30 -6.861 -12.222 -14.465 1.00 0.00 C ATOM 0 HA PRO A 30 -4.727 -14.659 -13.754 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.699 -12.090 -13.335 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.045 -12.649 -14.960 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.754 -10.863 -13.172 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.392 -10.668 -14.876 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.767 -11.786 -14.044 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.009 -12.285 -15.543 1.00 0.00 H new ATOM 526 N ALA A 31 -5.461 -14.970 -11.234 1.00 0.00 N ATOM 527 CA ALA A 31 -5.228 -15.168 -9.813 1.00 0.00 C ATOM 528 C ALA A 31 -6.385 -15.973 -9.218 1.00 0.00 C ATOM 529 O ALA A 31 -6.244 -16.578 -8.156 1.00 0.00 O ATOM 530 CB ALA A 31 -5.050 -13.810 -9.131 1.00 0.00 C ATOM 0 H ALA A 31 -6.057 -15.673 -11.671 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.313 -15.737 -9.649 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.875 -13.958 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.198 -13.291 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.950 -13.212 -9.271 1.00 0.00 H new ATOM 536 N TRP A 32 -7.503 -15.954 -9.929 1.00 0.00 N ATOM 537 CA TRP A 32 -8.684 -16.675 -9.484 1.00 0.00 C ATOM 538 C TRP A 32 -9.172 -17.545 -10.644 1.00 0.00 C ATOM 539 O TRP A 32 -8.371 -18.023 -11.446 1.00 0.00 O ATOM 540 CB TRP A 32 -9.753 -15.711 -8.968 1.00 0.00 C ATOM 541 CG TRP A 32 -10.454 -16.183 -7.693 1.00 0.00 C ATOM 542 CD1 TRP A 32 -11.603 -16.865 -7.587 1.00 0.00 C ATOM 543 CD2 TRP A 32 -10.003 -15.978 -6.338 1.00 0.00 C ATOM 544 NE1 TRP A 32 -11.924 -17.114 -6.269 1.00 0.00 N ATOM 545 CE2 TRP A 32 -10.920 -16.558 -5.485 1.00 0.00 C ATOM 546 CE3 TRP A 32 -8.858 -15.326 -5.848 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -10.786 -16.543 -4.091 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -8.740 -15.320 -4.454 1.00 0.00 C ATOM 549 CH2 TRP A 32 -9.653 -15.899 -3.581 1.00 0.00 C ATOM 0 H TRP A 32 -7.616 -15.451 -10.809 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.445 -17.322 -8.640 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.292 -14.741 -8.779 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.500 -15.563 -9.747 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.202 -17.180 -8.428 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.747 -17.614 -5.932 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.127 -14.866 -6.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.518 -17.004 -3.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.878 -14.830 -4.026 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.489 -15.852 -2.515 1.00 0.00 H new ATOM 560 N GLY A 33 -10.484 -17.722 -10.697 1.00 0.00 N ATOM 561 CA GLY A 33 -11.089 -18.526 -11.746 1.00 0.00 C ATOM 562 C GLY A 33 -12.609 -18.584 -11.585 1.00 0.00 C ATOM 563 O GLY A 33 -13.110 -18.980 -10.535 1.00 0.00 O ATOM 0 H GLY A 33 -11.145 -17.323 -10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.839 -18.107 -12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.678 -19.535 -11.718 1.00 0.00 H new ATOM 567 N GLY A 34 -13.300 -18.183 -12.642 1.00 0.00 N ATOM 568 CA GLY A 34 -14.752 -18.183 -12.632 1.00 0.00 C ATOM 569 C GLY A 34 -15.294 -19.385 -11.855 1.00 0.00 C ATOM 570 O GLY A 34 -14.616 -20.403 -11.726 1.00 0.00 O ATOM 0 H GLY A 34 -12.880 -17.856 -13.512 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.116 -17.260 -12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.126 -18.208 -13.655 1.00 0.00 H new ATOM 574 N ARG A 35 -16.512 -19.227 -11.356 1.00 0.00 N ATOM 575 CA ARG A 35 -17.152 -20.287 -10.596 1.00 0.00 C ATOM 576 C ARG A 35 -16.578 -20.345 -9.179 1.00 0.00 C ATOM 577 O ARG A 35 -15.796 -21.240 -8.859 1.00 0.00 O ATOM 578 CB ARG A 35 -16.960 -21.645 -11.274 1.00 0.00 C ATOM 579 CG ARG A 35 -17.990 -22.659 -10.771 1.00 0.00 C ATOM 580 CD ARG A 35 -17.321 -23.750 -9.933 1.00 0.00 C ATOM 581 NE ARG A 35 -17.839 -25.080 -10.328 1.00 0.00 N ATOM 582 CZ ARG A 35 -19.100 -25.486 -10.127 1.00 0.00 C ATOM 583 NH1 ARG A 35 -19.980 -24.667 -9.535 1.00 0.00 N ATOM 584 NH2 ARG A 35 -19.480 -26.709 -10.518 1.00 0.00 N ATOM 0 H ARG A 35 -17.072 -18.381 -11.463 1.00 0.00 H new ATOM 0 HA ARG A 35 -18.218 -20.065 -10.551 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.052 -21.533 -12.354 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.954 -22.015 -11.077 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -18.746 -22.149 -10.174 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -18.505 -23.111 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.240 -23.715 -10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -17.512 -23.576 -8.874 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.195 -25.728 -10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -19.690 -23.735 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.940 -24.975 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.810 -27.332 -10.969 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -20.440 -27.018 -10.365 1.00 0.00 H new ATOM 598 N CYS A 36 -16.986 -19.381 -8.369 1.00 0.00 N ATOM 599 CA CYS A 36 -16.521 -19.311 -6.993 1.00 0.00 C ATOM 600 C CYS A 36 -17.236 -20.399 -6.190 1.00 0.00 C ATOM 601 O CYS A 36 -18.454 -20.540 -6.276 1.00 0.00 O ATOM 602 CB CYS A 36 -16.738 -17.921 -6.393 1.00 0.00 C ATOM 603 SG CYS A 36 -15.221 -16.912 -6.222 1.00 0.00 S ATOM 0 H CYS A 36 -17.634 -18.641 -8.638 1.00 0.00 H new ATOM 0 HA CYS A 36 -15.445 -19.484 -6.959 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -17.449 -17.379 -7.016 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -17.196 -18.033 -5.410 1.00 0.00 H new TER 608 CYS A 36