USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 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 Set 1.1: A 6 LYS NZ :NH3+ 149:sc= 0.798 (180deg=0) USER MOD Set 1.2: A 10 THR OG1 : rot 64:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= -0.0371 (180deg=-0.261) USER MOD Single : A 14 THR OG1 : rot 159:sc= 0.659 USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -1.88 (180deg=-2.2!) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.0208 (180deg=-0.17) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 78:sc= 0.45 USER MOD Single : A 29 TYR OH : rot -56:sc= 0.389 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -2 (180deg=-2.43) USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.0495 (180deg=-1) USER MOD Single : B 1 TRP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.234 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 136:sc= -2.54! (180deg=-3.83!) USER MOD Single : B 8 THR OG1 : rot 79:sc= 0.33 USER MOD Single : B 12 THR OG1 : rot -170:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 142:sc= -1.31 (180deg=-3.19!) USER MOD Single : B 15 SER OG : rot 72:sc= 0.113 USER MOD Single : B 16 MET CE :methyl 166:sc= -0.801 (180deg=-1.19) USER MOD Single : B 18 LYS NZ :NH3+ -162:sc= -0.294 (180deg=-1.08) USER MOD Single : B 19 LYS NZ :NH3+ 168:sc= -0.0186 (180deg=-0.227) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.101) USER MOD Single : B 31 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0167) USER MOD Single : B 34 LYS NZ :NH3+ -135:sc= -0.78 (180deg=-3.22!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.521 -14.613 3.825 1.00 0.00 N ATOM 2 CA GLY A 1 5.401 -13.924 4.482 1.00 0.00 C ATOM 3 C GLY A 1 4.366 -13.443 3.461 1.00 0.00 C ATOM 4 O GLY A 1 4.076 -12.255 3.303 1.00 0.00 O ATOM 0 H1 GLY A 1 7.205 -14.927 4.543 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.163 -15.439 3.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.989 -13.962 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.925 -14.597 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.778 -13.073 5.049 1.00 0.00 H new ATOM 10 N VAL A 2 3.800 -14.418 2.745 1.00 0.00 N ATOM 11 CA VAL A 2 2.782 -14.139 1.715 1.00 0.00 C ATOM 12 C VAL A 2 1.463 -13.645 2.337 1.00 0.00 C ATOM 13 O VAL A 2 1.146 -13.847 3.511 1.00 0.00 O ATOM 14 CB VAL A 2 2.549 -15.437 0.892 1.00 0.00 C ATOM 15 CG1 VAL A 2 1.964 -16.585 1.749 1.00 0.00 C ATOM 16 CG2 VAL A 2 1.698 -15.198 -0.376 1.00 0.00 C ATOM 0 H VAL A 2 4.025 -15.407 2.855 1.00 0.00 H new ATOM 0 HA VAL A 2 3.141 -13.341 1.065 1.00 0.00 H new ATOM 0 HB VAL A 2 3.538 -15.752 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.821 -17.468 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.653 -16.821 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.006 -16.276 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.569 -16.139 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.722 -14.806 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.203 -14.480 -1.023 1.00 0.00 H new ATOM 26 N ILE A 3 0.677 -12.978 1.489 1.00 0.00 N ATOM 27 CA ILE A 3 -0.659 -12.481 1.874 1.00 0.00 C ATOM 28 C ILE A 3 -1.737 -13.201 1.041 1.00 0.00 C ATOM 29 O ILE A 3 -1.597 -13.370 -0.171 1.00 0.00 O ATOM 30 CB ILE A 3 -0.699 -10.950 1.636 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.314 -10.233 2.566 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.123 -10.364 1.790 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.415 -8.708 2.339 1.00 0.00 C ATOM 0 H ILE A 3 0.938 -12.766 0.526 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.857 -12.684 2.927 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.406 -10.772 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.031 -10.416 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.299 -10.676 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.095 -9.289 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.790 -10.834 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.488 -10.556 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.145 -8.285 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.730 -8.513 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.558 -8.249 2.513 1.00 0.00 H new ATOM 45 N PRO A 4 -2.841 -13.641 1.662 1.00 0.00 N ATOM 46 CA PRO A 4 -3.909 -14.387 0.977 1.00 0.00 C ATOM 47 C PRO A 4 -4.869 -13.489 0.184 1.00 0.00 C ATOM 48 O PRO A 4 -4.879 -12.261 0.263 1.00 0.00 O ATOM 49 CB PRO A 4 -4.650 -15.056 2.147 1.00 0.00 C ATOM 50 CG PRO A 4 -4.566 -13.996 3.233 1.00 0.00 C ATOM 51 CD PRO A 4 -3.126 -13.482 3.100 1.00 0.00 C ATOM 0 HA PRO A 4 -3.509 -15.076 0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.682 -15.295 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.173 -15.988 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.295 -13.200 3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.756 -14.414 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.039 -12.442 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.434 -14.059 3.714 1.00 0.00 H new ATOM 59 N LYS A 5 -5.721 -14.173 -0.585 1.00 0.00 N ATOM 60 CA LYS A 5 -6.735 -13.521 -1.436 1.00 0.00 C ATOM 61 C LYS A 5 -7.622 -12.559 -0.636 1.00 0.00 C ATOM 62 O LYS A 5 -7.827 -11.394 -0.979 1.00 0.00 O ATOM 63 CB LYS A 5 -7.620 -14.620 -2.065 1.00 0.00 C ATOM 64 CG LYS A 5 -8.694 -14.054 -3.018 1.00 0.00 C ATOM 65 CD LYS A 5 -9.661 -15.128 -3.565 1.00 0.00 C ATOM 66 CE LYS A 5 -10.512 -15.804 -2.467 1.00 0.00 C ATOM 67 NZ LYS A 5 -11.300 -14.791 -1.748 1.00 0.00 N ATOM 0 H LYS A 5 -5.732 -15.192 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.221 -12.939 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.988 -15.319 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.108 -15.185 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.270 -13.292 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.201 -13.560 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.325 -14.669 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.086 -15.891 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.176 -16.544 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.865 -16.336 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.014 -15.262 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.670 -14.225 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.774 -14.169 -2.434 1.00 0.00 H new ATOM 81 N LYS A 6 -8.153 -13.092 0.469 1.00 0.00 N ATOM 82 CA LYS A 6 -9.094 -12.355 1.333 1.00 0.00 C ATOM 83 C LYS A 6 -8.520 -10.990 1.741 1.00 0.00 C ATOM 84 O LYS A 6 -9.096 -9.933 1.493 1.00 0.00 O ATOM 85 CB LYS A 6 -9.378 -13.224 2.583 1.00 0.00 C ATOM 86 CG LYS A 6 -10.640 -12.831 3.388 1.00 0.00 C ATOM 87 CD LYS A 6 -10.609 -11.422 4.016 1.00 0.00 C ATOM 88 CE LYS A 6 -11.842 -11.167 4.905 1.00 0.00 C ATOM 89 NZ LYS A 6 -11.774 -9.813 5.471 1.00 0.00 N ATOM 0 H LYS A 6 -7.948 -14.038 0.792 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.019 -12.163 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.477 -14.263 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.514 -13.172 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.506 -12.899 2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.786 -13.562 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.702 -11.308 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.569 -10.672 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.754 -11.281 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.883 -11.905 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.737 -9.444 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.285 -9.844 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.251 -9.191 4.822 1.00 0.00 H new ATOM 103 N ILE A 7 -7.327 -11.036 2.342 1.00 0.00 N ATOM 104 CA ILE A 7 -6.640 -9.820 2.822 1.00 0.00 C ATOM 105 C ILE A 7 -6.414 -8.786 1.709 1.00 0.00 C ATOM 106 O ILE A 7 -6.603 -7.585 1.892 1.00 0.00 O ATOM 107 CB ILE A 7 -5.299 -10.207 3.501 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.518 -11.088 4.757 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.423 -8.977 3.841 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.296 -10.387 5.893 1.00 0.00 C ATOM 0 H ILE A 7 -6.812 -11.900 2.511 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.292 -9.343 3.553 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.753 -10.798 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.056 -11.990 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.547 -11.406 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.498 -9.308 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.188 -8.433 2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.965 -8.322 4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.406 -11.071 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.749 -9.501 6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.282 -10.094 5.532 1.00 0.00 H new ATOM 122 N TRP A 8 -5.987 -9.263 0.535 1.00 0.00 N ATOM 123 CA TRP A 8 -5.773 -8.378 -0.630 1.00 0.00 C ATOM 124 C TRP A 8 -7.019 -7.571 -1.013 1.00 0.00 C ATOM 125 O TRP A 8 -6.985 -6.369 -1.280 1.00 0.00 O ATOM 126 CB TRP A 8 -5.283 -9.198 -1.845 1.00 0.00 C ATOM 127 CG TRP A 8 -3.805 -9.560 -1.669 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.235 -10.841 -1.772 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.726 -8.690 -1.421 1.00 0.00 C ATOM 130 NE1 TRP A 8 -1.888 -10.790 -1.597 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.552 -9.486 -1.381 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.633 -7.305 -1.259 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.319 -8.871 -1.161 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.392 -6.706 -1.043 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.236 -7.488 -0.992 1.00 0.00 C ATOM 0 H TRP A 8 -5.782 -10.247 0.360 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.009 -7.659 -0.334 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.879 -10.105 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.419 -8.623 -2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.793 -11.745 -1.965 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.246 -11.582 -1.623 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.524 -6.697 -1.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.579 -9.470 -1.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.325 -5.636 -0.915 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.723 -7.022 -0.822 1.00 0.00 H new ATOM 146 N GLU A 9 -8.149 -8.274 -1.057 1.00 0.00 N ATOM 147 CA GLU A 9 -9.449 -7.646 -1.356 1.00 0.00 C ATOM 148 C GLU A 9 -9.924 -6.688 -0.250 1.00 0.00 C ATOM 149 O GLU A 9 -10.575 -5.671 -0.485 1.00 0.00 O ATOM 150 CB GLU A 9 -10.496 -8.743 -1.651 1.00 0.00 C ATOM 151 CG GLU A 9 -10.492 -9.243 -3.123 1.00 0.00 C ATOM 152 CD GLU A 9 -9.116 -9.755 -3.586 1.00 0.00 C ATOM 153 OE1 GLU A 9 -8.237 -8.942 -3.873 1.00 0.00 O ATOM 154 OE2 GLU A 9 -8.938 -10.970 -3.663 1.00 0.00 O ATOM 0 H GLU A 9 -8.198 -9.279 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.322 -7.024 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.315 -9.591 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.487 -8.358 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.225 -10.043 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.809 -8.430 -3.777 1.00 0.00 H new ATOM 161 N THR A 10 -9.592 -7.041 0.997 1.00 0.00 N ATOM 162 CA THR A 10 -9.916 -6.195 2.163 1.00 0.00 C ATOM 163 C THR A 10 -9.207 -4.834 2.086 1.00 0.00 C ATOM 164 O THR A 10 -9.783 -3.762 2.280 1.00 0.00 O ATOM 165 CB THR A 10 -9.518 -6.939 3.464 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.281 -8.143 3.567 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.747 -6.105 4.741 1.00 0.00 C ATOM 0 H THR A 10 -9.100 -7.904 1.230 1.00 0.00 H new ATOM 0 HA THR A 10 -10.989 -6.004 2.164 1.00 0.00 H new ATOM 0 HB THR A 10 -8.449 -7.142 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.055 -8.738 2.822 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.448 -6.686 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.153 -5.193 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.803 -5.846 4.822 1.00 0.00 H new ATOM 175 N VAL A 11 -7.903 -4.903 1.799 1.00 0.00 N ATOM 176 CA VAL A 11 -7.058 -3.697 1.699 1.00 0.00 C ATOM 177 C VAL A 11 -7.316 -2.876 0.429 1.00 0.00 C ATOM 178 O VAL A 11 -7.108 -1.666 0.411 1.00 0.00 O ATOM 179 CB VAL A 11 -5.554 -4.045 1.833 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.253 -4.712 3.194 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.013 -4.891 0.662 1.00 0.00 C ATOM 0 H VAL A 11 -7.405 -5.777 1.631 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.345 -3.065 2.539 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.020 -3.096 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.190 -4.944 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.525 -4.031 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.831 -5.631 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.955 -5.098 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.562 -5.831 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.139 -4.343 -0.272 1.00 0.00 H new ATOM 191 N CYS A 12 -7.773 -3.551 -0.639 1.00 0.00 N ATOM 192 CA CYS A 12 -8.011 -2.917 -1.960 1.00 0.00 C ATOM 193 C CYS A 12 -8.429 -1.432 -1.901 1.00 0.00 C ATOM 194 O CYS A 12 -7.714 -0.577 -2.420 1.00 0.00 O ATOM 195 CB CYS A 12 -9.089 -3.696 -2.750 1.00 0.00 C ATOM 196 SG CYS A 12 -8.499 -5.117 -3.704 1.00 0.00 S ATOM 0 H CYS A 12 -7.989 -4.548 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.043 -2.954 -2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.846 -4.044 -2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.582 -3.004 -3.433 1.00 0.00 H new ATOM 201 N PRO A 13 -9.560 -1.078 -1.265 1.00 0.00 N ATOM 202 CA PRO A 13 -10.043 0.311 -1.164 1.00 0.00 C ATOM 203 C PRO A 13 -9.158 1.213 -0.289 1.00 0.00 C ATOM 204 O PRO A 13 -8.871 2.368 -0.601 1.00 0.00 O ATOM 205 CB PRO A 13 -11.448 0.166 -0.560 1.00 0.00 C ATOM 206 CG PRO A 13 -11.336 -1.092 0.290 1.00 0.00 C ATOM 207 CD PRO A 13 -10.476 -2.012 -0.583 1.00 0.00 C ATOM 0 HA PRO A 13 -10.031 0.801 -2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.719 1.034 0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.209 0.063 -1.333 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.865 -0.890 1.252 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.313 -1.528 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.932 -2.742 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.082 -2.572 -1.295 1.00 0.00 H new ATOM 215 N THR A 14 -8.736 0.654 0.851 1.00 0.00 N ATOM 216 CA THR A 14 -7.912 1.391 1.830 1.00 0.00 C ATOM 217 C THR A 14 -6.613 1.914 1.201 1.00 0.00 C ATOM 218 O THR A 14 -6.321 3.109 1.166 1.00 0.00 O ATOM 219 CB THR A 14 -7.582 0.464 3.029 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.798 -0.023 3.608 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.768 1.186 4.125 1.00 0.00 C ATOM 0 H THR A 14 -8.949 -0.306 1.123 1.00 0.00 H new ATOM 0 HA THR A 14 -8.484 2.254 2.172 1.00 0.00 H new ATOM 0 HB THR A 14 -6.977 -0.356 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.613 -0.836 4.123 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.563 0.494 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.827 1.540 3.705 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.339 2.034 4.503 1.00 0.00 H new ATOM 229 N VAL A 15 -5.815 0.968 0.696 1.00 0.00 N ATOM 230 CA VAL A 15 -4.544 1.300 0.025 1.00 0.00 C ATOM 231 C VAL A 15 -4.715 1.630 -1.469 1.00 0.00 C ATOM 232 O VAL A 15 -3.769 1.634 -2.258 1.00 0.00 O ATOM 233 CB VAL A 15 -3.546 0.123 0.214 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.350 -0.218 1.708 1.00 0.00 C ATOM 235 CG2 VAL A 15 -3.917 -1.138 -0.598 1.00 0.00 C ATOM 0 H VAL A 15 -6.021 -0.030 0.736 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.154 2.206 0.490 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.596 0.475 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.646 -1.045 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.958 0.654 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.307 -0.504 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.177 -1.918 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.901 -1.493 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.935 -0.894 -1.660 1.00 0.00 H new ATOM 245 N GLU A 16 -5.955 1.946 -1.860 1.00 0.00 N ATOM 246 CA GLU A 16 -6.251 2.307 -3.259 1.00 0.00 C ATOM 247 C GLU A 16 -5.542 3.602 -3.687 1.00 0.00 C ATOM 248 O GLU A 16 -4.728 3.582 -4.610 1.00 0.00 O ATOM 249 CB GLU A 16 -7.776 2.434 -3.482 1.00 0.00 C ATOM 250 CG GLU A 16 -8.147 2.717 -4.953 1.00 0.00 C ATOM 251 CD GLU A 16 -9.674 2.768 -5.105 1.00 0.00 C ATOM 252 OE1 GLU A 16 -10.295 3.678 -4.556 1.00 0.00 O ATOM 253 OE2 GLU A 16 -10.227 1.894 -5.770 1.00 0.00 O ATOM 0 H GLU A 16 -6.764 1.960 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.866 1.500 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.263 1.513 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.164 3.236 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.709 3.663 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.734 1.941 -5.597 1.00 0.00 H new ATOM 260 N PRO A 17 -5.787 4.752 -3.031 1.00 0.00 N ATOM 261 CA PRO A 17 -5.232 6.051 -3.451 1.00 0.00 C ATOM 262 C PRO A 17 -3.700 6.074 -3.467 1.00 0.00 C ATOM 263 O PRO A 17 -3.052 6.596 -4.374 1.00 0.00 O ATOM 264 CB PRO A 17 -5.792 7.049 -2.421 1.00 0.00 C ATOM 265 CG PRO A 17 -6.033 6.191 -1.189 1.00 0.00 C ATOM 266 CD PRO A 17 -6.569 4.887 -1.790 1.00 0.00 C ATOM 0 HA PRO A 17 -5.514 6.288 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.086 7.854 -2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.713 7.514 -2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.116 6.029 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.751 6.650 -0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.415 4.040 -1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.639 4.944 -1.991 1.00 0.00 H new ATOM 274 N TRP A 18 -3.119 5.483 -2.419 1.00 0.00 N ATOM 275 CA TRP A 18 -1.652 5.435 -2.281 1.00 0.00 C ATOM 276 C TRP A 18 -0.997 4.597 -3.386 1.00 0.00 C ATOM 277 O TRP A 18 -0.077 5.022 -4.084 1.00 0.00 O ATOM 278 CB TRP A 18 -1.250 4.877 -0.897 1.00 0.00 C ATOM 279 CG TRP A 18 -1.919 5.672 0.230 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.974 7.068 0.366 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.579 5.161 1.364 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.630 7.424 1.502 1.00 0.00 N ATOM 283 CE2 TRP A 18 -3.008 6.275 2.132 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.836 3.865 1.812 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.694 6.055 3.331 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.524 3.661 3.009 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.953 4.754 3.765 1.00 0.00 C ATOM 0 H TRP A 18 -3.631 5.035 -1.659 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.292 6.459 -2.376 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.536 3.828 -0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.167 4.920 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.551 7.768 -0.340 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.807 8.375 1.824 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.502 3.018 1.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.025 6.895 3.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.725 2.657 3.351 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.487 4.592 4.689 1.00 0.00 H new ATOM 298 N ALA A 19 -1.504 3.369 -3.540 1.00 0.00 N ATOM 299 CA ALA A 19 -0.969 2.418 -4.538 1.00 0.00 C ATOM 300 C ALA A 19 -0.974 2.997 -5.959 1.00 0.00 C ATOM 301 O ALA A 19 0.014 2.959 -6.694 1.00 0.00 O ATOM 302 CB ALA A 19 -1.790 1.112 -4.506 1.00 0.00 C ATOM 0 H ALA A 19 -2.282 3.005 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 19 0.069 2.217 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.392 0.414 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.727 0.667 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.832 1.331 -4.739 1.00 0.00 H new ATOM 308 N LYS A 20 -2.133 3.544 -6.341 1.00 0.00 N ATOM 309 CA LYS A 20 -2.283 4.221 -7.643 1.00 0.00 C ATOM 310 C LYS A 20 -1.250 5.344 -7.808 1.00 0.00 C ATOM 311 O LYS A 20 -0.550 5.469 -8.814 1.00 0.00 O ATOM 312 CB LYS A 20 -3.706 4.811 -7.810 1.00 0.00 C ATOM 313 CG LYS A 20 -4.755 3.890 -8.487 1.00 0.00 C ATOM 314 CD LYS A 20 -5.477 2.861 -7.586 1.00 0.00 C ATOM 315 CE LYS A 20 -4.623 1.658 -7.145 1.00 0.00 C ATOM 316 NZ LYS A 20 -5.447 0.749 -6.339 1.00 0.00 N ATOM 0 H LYS A 20 -2.980 3.534 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.117 3.467 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.079 5.089 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.630 5.729 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.512 4.523 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.259 3.346 -9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.839 3.374 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.353 2.488 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.232 1.135 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.765 1.999 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.831 0.136 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.062 1.304 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.032 0.162 -6.967 1.00 0.00 H new ATOM 330 N LYS A 21 -1.181 6.190 -6.775 1.00 0.00 N ATOM 331 CA LYS A 21 -0.216 7.305 -6.740 1.00 0.00 C ATOM 332 C LYS A 21 1.153 6.867 -6.194 1.00 0.00 C ATOM 333 O LYS A 21 1.724 7.411 -5.246 1.00 0.00 O ATOM 334 CB LYS A 21 -0.793 8.456 -5.889 1.00 0.00 C ATOM 335 CG LYS A 21 -2.100 9.029 -6.475 1.00 0.00 C ATOM 336 CD LYS A 21 -2.662 10.208 -5.650 1.00 0.00 C ATOM 337 CE LYS A 21 -1.698 11.412 -5.562 1.00 0.00 C ATOM 338 NZ LYS A 21 -1.380 11.899 -6.913 1.00 0.00 N ATOM 0 H LYS A 21 -1.779 6.128 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.056 7.647 -7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.980 8.097 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.053 9.253 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.919 9.361 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.848 8.238 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.602 10.537 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.890 9.860 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.152 12.211 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.783 11.119 -5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.873 12.804 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.781 11.203 -7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.261 12.035 -7.449 1.00 0.00 H new ATOM 352 N CYS A 22 1.704 5.840 -6.844 1.00 0.00 N ATOM 353 CA CYS A 22 3.016 5.291 -6.463 1.00 0.00 C ATOM 354 C CYS A 22 3.566 4.376 -7.567 1.00 0.00 C ATOM 355 O CYS A 22 2.901 4.007 -8.536 1.00 0.00 O ATOM 356 CB CYS A 22 2.875 4.503 -5.137 1.00 0.00 C ATOM 357 SG CYS A 22 4.479 3.999 -4.472 1.00 0.00 S ATOM 0 H CYS A 22 1.266 5.369 -7.636 1.00 0.00 H new ATOM 0 HA CYS A 22 3.718 6.114 -6.326 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.356 5.119 -4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.259 3.620 -5.304 1.00 0.00 H new ATOM 362 N SER A 23 4.834 3.994 -7.389 1.00 0.00 N ATOM 363 CA SER A 23 5.556 3.177 -8.381 1.00 0.00 C ATOM 364 C SER A 23 6.536 2.203 -7.705 1.00 0.00 C ATOM 365 O SER A 23 6.615 2.054 -6.483 1.00 0.00 O ATOM 366 CB SER A 23 6.330 4.125 -9.330 1.00 0.00 C ATOM 367 OG SER A 23 5.412 4.977 -10.024 1.00 0.00 O ATOM 0 H SER A 23 5.387 4.236 -6.567 1.00 0.00 H new ATOM 0 HA SER A 23 4.833 2.582 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.037 4.727 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.911 3.543 -10.045 1.00 0.00 H new ATOM 0 HG SER A 23 5.908 5.575 -10.621 1.00 0.00 H new ATOM 373 N GLY A 24 7.300 1.511 -8.555 1.00 0.00 N ATOM 374 CA GLY A 24 8.281 0.510 -8.096 1.00 0.00 C ATOM 375 C GLY A 24 7.692 -0.906 -8.064 1.00 0.00 C ATOM 376 O GLY A 24 6.529 -1.173 -8.365 1.00 0.00 O ATOM 0 H GLY A 24 7.261 1.622 -9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.149 0.526 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.632 0.778 -7.100 1.00 0.00 H new ATOM 380 N ASP A 25 8.564 -1.834 -7.670 1.00 0.00 N ATOM 381 CA ASP A 25 8.240 -3.275 -7.647 1.00 0.00 C ATOM 382 C ASP A 25 7.028 -3.599 -6.766 1.00 0.00 C ATOM 383 O ASP A 25 6.124 -4.354 -7.125 1.00 0.00 O ATOM 384 CB ASP A 25 9.459 -4.082 -7.141 1.00 0.00 C ATOM 385 CG ASP A 25 10.642 -3.966 -8.118 1.00 0.00 C ATOM 386 OD1 ASP A 25 11.239 -2.893 -8.208 1.00 0.00 O ATOM 387 OD2 ASP A 25 10.951 -4.953 -8.782 1.00 0.00 O ATOM 0 H ASP A 25 9.511 -1.618 -7.358 1.00 0.00 H new ATOM 0 HA ASP A 25 7.990 -3.555 -8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.758 -3.718 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.182 -5.130 -7.022 1.00 0.00 H new ATOM 392 N ILE A 26 7.036 -3.012 -5.568 1.00 0.00 N ATOM 393 CA ILE A 26 5.970 -3.238 -4.570 1.00 0.00 C ATOM 394 C ILE A 26 4.602 -2.765 -5.083 1.00 0.00 C ATOM 395 O ILE A 26 3.582 -3.446 -4.983 1.00 0.00 O ATOM 396 CB ILE A 26 6.320 -2.492 -3.261 1.00 0.00 C ATOM 397 CG1 ILE A 26 7.743 -2.822 -2.746 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.264 -2.760 -2.167 1.00 0.00 C ATOM 399 CD1 ILE A 26 7.959 -4.311 -2.404 1.00 0.00 C ATOM 0 H ILE A 26 7.768 -2.373 -5.257 1.00 0.00 H new ATOM 0 HA ILE A 26 5.905 -4.310 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 26 6.310 -1.428 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.470 -2.525 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.944 -2.223 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.537 -2.223 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.288 -2.418 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.221 -3.829 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.980 -4.459 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.258 -4.611 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.792 -4.917 -3.295 1.00 0.00 H new ATOM 411 N ALA A 27 4.593 -1.541 -5.623 1.00 0.00 N ATOM 412 CA ALA A 27 3.370 -0.950 -6.201 1.00 0.00 C ATOM 413 C ALA A 27 2.743 -1.864 -7.264 1.00 0.00 C ATOM 414 O ALA A 27 1.542 -2.129 -7.295 1.00 0.00 O ATOM 415 CB ALA A 27 3.708 0.419 -6.826 1.00 0.00 C ATOM 0 H ALA A 27 5.414 -0.938 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 27 2.643 -0.827 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.806 0.857 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.104 1.082 -6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.454 0.287 -7.610 1.00 0.00 H new ATOM 421 N THR A 28 3.613 -2.354 -8.152 1.00 0.00 N ATOM 422 CA THR A 28 3.220 -3.280 -9.233 1.00 0.00 C ATOM 423 C THR A 28 2.631 -4.593 -8.692 1.00 0.00 C ATOM 424 O THR A 28 1.625 -5.120 -9.166 1.00 0.00 O ATOM 425 CB THR A 28 4.461 -3.584 -10.109 1.00 0.00 C ATOM 426 OG1 THR A 28 4.976 -2.361 -10.641 1.00 0.00 O ATOM 427 CG2 THR A 28 4.154 -4.542 -11.282 1.00 0.00 C ATOM 0 H THR A 28 4.607 -2.125 -8.147 1.00 0.00 H new ATOM 0 HA THR A 28 2.441 -2.798 -9.824 1.00 0.00 H new ATOM 0 HB THR A 28 5.190 -4.076 -9.465 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.489 -1.893 -9.949 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.063 -4.715 -11.858 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.786 -5.490 -10.890 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.396 -4.097 -11.926 1.00 0.00 H new ATOM 435 N TYR A 29 3.307 -5.135 -7.673 1.00 0.00 N ATOM 436 CA TYR A 29 2.892 -6.401 -7.041 1.00 0.00 C ATOM 437 C TYR A 29 1.456 -6.322 -6.511 1.00 0.00 C ATOM 438 O TYR A 29 0.562 -7.067 -6.904 1.00 0.00 O ATOM 439 CB TYR A 29 3.871 -6.742 -5.891 1.00 0.00 C ATOM 440 CG TYR A 29 3.399 -7.882 -5.013 1.00 0.00 C ATOM 441 CD1 TYR A 29 3.172 -9.149 -5.557 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.172 -7.659 -3.652 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.722 -10.191 -4.742 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.725 -8.700 -2.837 1.00 0.00 C ATOM 445 CZ TYR A 29 2.498 -9.966 -3.380 1.00 0.00 C ATOM 446 OH TYR A 29 2.051 -10.992 -2.573 1.00 0.00 O ATOM 0 H TYR A 29 4.145 -4.720 -7.265 1.00 0.00 H new ATOM 0 HA TYR A 29 2.918 -7.188 -7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.842 -6.999 -6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.017 -5.855 -5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.345 -9.323 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.343 -6.679 -3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.547 -11.170 -5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.554 -8.526 -1.785 1.00 0.00 H new ATOM 0 HH TYR A 29 1.222 -11.361 -2.943 1.00 0.00 H new ATOM 456 N ILE A 30 1.255 -5.371 -5.599 1.00 0.00 N ATOM 457 CA ILE A 30 -0.066 -5.104 -4.998 1.00 0.00 C ATOM 458 C ILE A 30 -1.146 -4.850 -6.065 1.00 0.00 C ATOM 459 O ILE A 30 -2.313 -5.217 -5.928 1.00 0.00 O ATOM 460 CB ILE A 30 0.061 -3.895 -4.035 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.027 -4.237 -2.870 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.314 -3.425 -3.500 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.369 -3.025 -1.980 1.00 0.00 C ATOM 0 H ILE A 30 1.996 -4.762 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.384 -5.987 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 30 0.476 -3.063 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.579 -5.016 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.949 -4.648 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.173 -2.577 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.947 -3.126 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.791 -4.241 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.048 -3.336 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.846 -2.253 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.455 -2.627 -1.540 1.00 0.00 H new ATOM 475 N LYS A 31 -0.725 -4.195 -7.153 1.00 0.00 N ATOM 476 CA LYS A 31 -1.615 -3.922 -8.300 1.00 0.00 C ATOM 477 C LYS A 31 -2.278 -5.216 -8.798 1.00 0.00 C ATOM 478 O LYS A 31 -3.477 -5.306 -9.061 1.00 0.00 O ATOM 479 CB LYS A 31 -0.790 -3.309 -9.460 1.00 0.00 C ATOM 480 CG LYS A 31 -1.573 -2.275 -10.297 1.00 0.00 C ATOM 481 CD LYS A 31 -1.454 -0.834 -9.748 1.00 0.00 C ATOM 482 CE LYS A 31 -1.924 -0.661 -8.288 1.00 0.00 C ATOM 483 NZ LYS A 31 -1.735 0.741 -7.885 1.00 0.00 N ATOM 0 H LYS A 31 0.225 -3.842 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.389 -3.227 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.100 -2.832 -9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.449 -4.111 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.209 -2.297 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.624 -2.561 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.414 -0.516 -9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.036 -0.168 -10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.973 -0.941 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.359 -1.321 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.201 0.905 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.719 0.943 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.151 1.368 -8.603 1.00 0.00 H new ATOM 497 N ARG A 32 -1.435 -6.245 -8.937 1.00 0.00 N ATOM 498 CA ARG A 32 -1.886 -7.586 -9.347 1.00 0.00 C ATOM 499 C ARG A 32 -2.763 -8.253 -8.276 1.00 0.00 C ATOM 500 O ARG A 32 -3.870 -8.722 -8.525 1.00 0.00 O ATOM 501 CB ARG A 32 -0.653 -8.473 -9.631 1.00 0.00 C ATOM 502 CG ARG A 32 -1.034 -9.865 -10.172 1.00 0.00 C ATOM 503 CD ARG A 32 0.192 -10.768 -10.413 1.00 0.00 C ATOM 504 NE ARG A 32 -0.266 -12.076 -10.907 1.00 0.00 N ATOM 505 CZ ARG A 32 0.592 -13.029 -11.279 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.908 -12.839 -11.209 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.121 -14.190 -11.724 1.00 0.00 N ATOM 0 H ARG A 32 -0.431 -6.177 -8.771 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.492 -7.475 -10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.008 -7.971 -10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.075 -8.590 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.706 -10.353 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.583 -9.749 -11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.863 -10.306 -11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.756 -10.891 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.267 -12.260 -10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.278 -11.952 -10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.546 -13.580 -11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.886 -14.345 -11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.766 -14.926 -12.011 1.00 0.00 H new ATOM 521 N GLU A 33 -2.242 -8.286 -7.045 1.00 0.00 N ATOM 522 CA GLU A 33 -2.901 -9.009 -5.938 1.00 0.00 C ATOM 523 C GLU A 33 -4.355 -8.567 -5.721 1.00 0.00 C ATOM 524 O GLU A 33 -5.304 -9.350 -5.740 1.00 0.00 O ATOM 525 CB GLU A 33 -2.101 -8.813 -4.633 1.00 0.00 C ATOM 526 CG GLU A 33 -0.625 -9.266 -4.685 1.00 0.00 C ATOM 527 CD GLU A 33 -0.514 -10.744 -5.079 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.547 -11.042 -6.271 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.402 -11.583 -4.185 1.00 0.00 O ATOM 0 H GLU A 33 -1.370 -7.825 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.921 -10.063 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.130 -7.757 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.603 -9.359 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.079 -8.653 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.159 -9.110 -3.712 1.00 0.00 H new ATOM 536 N CYS A 34 -4.514 -7.261 -5.495 1.00 0.00 N ATOM 537 CA CYS A 34 -5.850 -6.650 -5.391 1.00 0.00 C ATOM 538 C CYS A 34 -6.614 -6.710 -6.726 1.00 0.00 C ATOM 539 O CYS A 34 -7.676 -7.316 -6.864 1.00 0.00 O ATOM 540 CB CYS A 34 -5.716 -5.175 -4.940 1.00 0.00 C ATOM 541 SG CYS A 34 -7.293 -4.301 -5.103 1.00 0.00 S ATOM 0 H CYS A 34 -3.741 -6.605 -5.380 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.417 -7.219 -4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.380 -5.137 -3.904 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.955 -4.675 -5.540 1.00 0.00 H new ATOM 546 N GLY A 35 -6.020 -6.061 -7.735 1.00 0.00 N ATOM 547 CA GLY A 35 -6.687 -5.846 -9.034 1.00 0.00 C ATOM 548 C GLY A 35 -6.871 -7.126 -9.853 1.00 0.00 C ATOM 549 O GLY A 35 -7.976 -7.612 -10.088 1.00 0.00 O ATOM 0 H GLY A 35 -5.078 -5.674 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.663 -5.393 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.105 -5.133 -9.617 1.00 0.00 H new ATOM 553 N LYS A 36 -5.735 -7.666 -10.307 1.00 0.00 N ATOM 554 CA LYS A 36 -5.718 -8.879 -11.147 1.00 0.00 C ATOM 555 C LYS A 36 -5.864 -10.144 -10.281 1.00 0.00 C ATOM 556 O LYS A 36 -4.931 -10.890 -9.979 1.00 0.00 O ATOM 557 CB LYS A 36 -4.410 -8.891 -11.980 1.00 0.00 C ATOM 558 CG LYS A 36 -4.440 -9.811 -13.228 1.00 0.00 C ATOM 559 CD LYS A 36 -4.443 -11.331 -12.950 1.00 0.00 C ATOM 560 CE LYS A 36 -3.143 -11.820 -12.279 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.236 -13.259 -12.003 1.00 0.00 N ATOM 0 H LYS A 36 -4.810 -7.284 -10.109 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.566 -8.871 -11.831 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.192 -7.873 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.589 -9.204 -11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.327 -9.567 -13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.575 -9.577 -13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.291 -11.577 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.586 -11.867 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.290 -11.619 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.974 -11.273 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.860 -13.455 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.231 -13.558 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.683 -13.784 -12.710 1.00 0.00 H new ATOM 575 N LEU A 37 -7.104 -10.360 -9.841 1.00 0.00 N ATOM 576 CA LEU A 37 -7.439 -11.524 -8.994 1.00 0.00 C ATOM 577 C LEU A 37 -7.305 -12.852 -9.776 1.00 0.00 C ATOM 578 O LEU A 37 -7.422 -12.847 -11.003 1.00 0.00 O ATOM 579 CB LEU A 37 -8.901 -11.331 -8.508 1.00 0.00 C ATOM 580 CG LEU A 37 -9.174 -11.736 -7.036 1.00 0.00 C ATOM 581 CD1 LEU A 37 -10.630 -11.418 -6.644 1.00 0.00 C ATOM 582 CD2 LEU A 37 -8.840 -13.208 -6.724 1.00 0.00 C ATOM 583 OXT LEU A 37 -7.093 -13.889 -9.150 1.00 0.00 O ATOM 0 H LEU A 37 -7.895 -9.752 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.749 -11.583 -8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.172 -10.283 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.560 -11.911 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.495 -11.136 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.800 -11.710 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.811 -10.349 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.310 -11.970 -7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.057 -13.416 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.443 -13.860 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.783 -13.390 -6.919 1.00 0.00 H new TER 595 LEU A 37 ATOM 596 N TRP B 1 -12.492 -3.101 7.641 1.00 0.00 N ATOM 597 CA TRP B 1 -11.061 -3.122 7.983 1.00 0.00 C ATOM 598 C TRP B 1 -10.855 -3.358 9.488 1.00 0.00 C ATOM 599 O TRP B 1 -11.791 -3.475 10.283 1.00 0.00 O ATOM 600 CB TRP B 1 -10.433 -1.772 7.560 1.00 0.00 C ATOM 601 CG TRP B 1 -9.172 -2.024 6.727 1.00 0.00 C ATOM 602 CD1 TRP B 1 -9.105 -2.723 5.512 1.00 0.00 C ATOM 603 CD2 TRP B 1 -7.857 -1.600 6.992 1.00 0.00 C ATOM 604 NE1 TRP B 1 -7.834 -2.748 5.032 1.00 0.00 N ATOM 605 CE2 TRP B 1 -7.051 -2.063 5.918 1.00 0.00 C ATOM 606 CE3 TRP B 1 -7.280 -0.866 8.029 1.00 0.00 C ATOM 607 CZ2 TRP B 1 -5.688 -1.768 5.910 1.00 0.00 C ATOM 608 CZ3 TRP B 1 -5.914 -0.579 8.008 1.00 0.00 C ATOM 609 CH2 TRP B 1 -5.121 -1.028 6.949 1.00 0.00 C ATOM 0 H1 TRP B 1 -12.602 -2.940 6.619 1.00 0.00 H new ATOM 0 H2 TRP B 1 -12.923 -4.012 7.897 1.00 0.00 H new ATOM 0 H3 TRP B 1 -12.963 -2.336 8.165 1.00 0.00 H new ATOM 0 HA TRP B 1 -10.577 -3.942 7.453 1.00 0.00 H new ATOM 0 HB2 TRP B 1 -11.152 -1.192 6.982 1.00 0.00 H new ATOM 0 HB3 TRP B 1 -10.185 -1.183 8.443 1.00 0.00 H new ATOM 0 HD1 TRP B 1 -9.952 -3.181 5.023 1.00 0.00 H new ATOM 0 HE1 TRP B 1 -7.522 -3.195 4.170 1.00 0.00 H new ATOM 0 HE3 TRP B 1 -7.891 -0.519 8.849 1.00 0.00 H new ATOM 0 HZ2 TRP B 1 -5.068 -2.114 5.096 1.00 0.00 H new ATOM 0 HZ3 TRP B 1 -5.470 -0.009 8.811 1.00 0.00 H new ATOM 0 HH2 TRP B 1 -4.065 -0.802 6.934 1.00 0.00 H new ATOM 622 N SER B 2 -9.580 -3.424 9.883 1.00 0.00 N ATOM 623 CA SER B 2 -9.230 -3.692 11.293 1.00 0.00 C ATOM 624 C SER B 2 -7.773 -3.321 11.600 1.00 0.00 C ATOM 625 O SER B 2 -6.948 -3.005 10.744 1.00 0.00 O ATOM 626 CB SER B 2 -9.438 -5.205 11.563 1.00 0.00 C ATOM 627 OG SER B 2 -9.232 -5.508 12.947 1.00 0.00 O ATOM 0 H SER B 2 -8.780 -3.299 9.263 1.00 0.00 H new ATOM 0 HA SER B 2 -9.868 -3.083 11.933 1.00 0.00 H new ATOM 0 HB2 SER B 2 -10.446 -5.496 11.269 1.00 0.00 H new ATOM 0 HB3 SER B 2 -8.747 -5.786 10.952 1.00 0.00 H new ATOM 0 HG SER B 2 -9.370 -6.467 13.096 1.00 0.00 H new ATOM 633 N THR B 3 -7.480 -3.345 12.904 1.00 0.00 N ATOM 634 CA THR B 3 -6.100 -3.231 13.409 1.00 0.00 C ATOM 635 C THR B 3 -5.269 -4.452 12.989 1.00 0.00 C ATOM 636 O THR B 3 -4.096 -4.374 12.627 1.00 0.00 O ATOM 637 CB THR B 3 -6.126 -3.114 14.950 1.00 0.00 C ATOM 638 OG1 THR B 3 -6.902 -1.971 15.323 1.00 0.00 O ATOM 639 CG2 THR B 3 -4.717 -2.972 15.564 1.00 0.00 C ATOM 0 H THR B 3 -8.183 -3.443 13.637 1.00 0.00 H new ATOM 0 HA THR B 3 -5.639 -2.340 12.983 1.00 0.00 H new ATOM 0 HB THR B 3 -6.564 -4.036 15.333 1.00 0.00 H new ATOM 0 HG1 THR B 3 -6.922 -1.894 16.300 1.00 0.00 H new ATOM 0 HG21 THR B 3 -4.799 -2.894 16.648 1.00 0.00 H new ATOM 0 HG22 THR B 3 -4.118 -3.846 15.307 1.00 0.00 H new ATOM 0 HG23 THR B 3 -4.237 -2.076 15.171 1.00 0.00 H new ATOM 647 N ILE B 4 -5.909 -5.621 13.078 1.00 0.00 N ATOM 648 CA ILE B 4 -5.292 -6.888 12.638 1.00 0.00 C ATOM 649 C ILE B 4 -4.882 -6.804 11.160 1.00 0.00 C ATOM 650 O ILE B 4 -3.742 -7.045 10.763 1.00 0.00 O ATOM 651 CB ILE B 4 -6.296 -8.050 12.856 1.00 0.00 C ATOM 652 CG1 ILE B 4 -6.713 -8.152 14.345 1.00 0.00 C ATOM 653 CG2 ILE B 4 -5.728 -9.391 12.333 1.00 0.00 C ATOM 654 CD1 ILE B 4 -7.784 -9.229 14.619 1.00 0.00 C ATOM 0 H ILE B 4 -6.853 -5.723 13.450 1.00 0.00 H new ATOM 0 HA ILE B 4 -4.394 -7.072 13.227 1.00 0.00 H new ATOM 0 HB ILE B 4 -7.192 -7.830 12.276 1.00 0.00 H new ATOM 0 HG12 ILE B 4 -5.830 -8.370 14.946 1.00 0.00 H new ATOM 0 HG13 ILE B 4 -7.092 -7.184 14.674 1.00 0.00 H new ATOM 0 HG21 ILE B 4 -6.456 -10.185 12.501 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -5.522 -9.307 11.266 1.00 0.00 H new ATOM 0 HG23 ILE B 4 -4.805 -9.627 12.863 1.00 0.00 H new ATOM 0 HD11 ILE B 4 -8.024 -9.241 15.682 1.00 0.00 H new ATOM 0 HD12 ILE B 4 -8.683 -9.002 14.046 1.00 0.00 H new ATOM 0 HD13 ILE B 4 -7.402 -10.206 14.323 1.00 0.00 H new ATOM 666 N VAL B 5 -5.871 -6.437 10.336 1.00 0.00 N ATOM 667 CA VAL B 5 -5.662 -6.225 8.891 1.00 0.00 C ATOM 668 C VAL B 5 -4.536 -5.217 8.621 1.00 0.00 C ATOM 669 O VAL B 5 -3.683 -5.386 7.749 1.00 0.00 O ATOM 670 CB VAL B 5 -6.986 -5.734 8.248 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.815 -5.361 6.759 1.00 0.00 C ATOM 672 CG2 VAL B 5 -8.105 -6.787 8.395 1.00 0.00 C ATOM 0 H VAL B 5 -6.831 -6.279 10.644 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.363 -7.174 8.446 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.271 -4.832 8.789 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.770 -5.024 6.356 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.080 -4.562 6.666 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.474 -6.234 6.202 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -9.019 -6.413 7.935 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.802 -7.711 7.902 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.285 -6.982 9.452 1.00 0.00 H new ATOM 682 N LYS B 6 -4.556 -4.137 9.410 1.00 0.00 N ATOM 683 CA LYS B 6 -3.572 -3.050 9.280 1.00 0.00 C ATOM 684 C LYS B 6 -2.137 -3.568 9.423 1.00 0.00 C ATOM 685 O LYS B 6 -1.324 -3.507 8.506 1.00 0.00 O ATOM 686 CB LYS B 6 -3.872 -1.976 10.353 1.00 0.00 C ATOM 687 CG LYS B 6 -2.932 -0.752 10.290 1.00 0.00 C ATOM 688 CD LYS B 6 -3.120 0.260 11.447 1.00 0.00 C ATOM 689 CE LYS B 6 -4.499 0.953 11.501 1.00 0.00 C ATOM 690 NZ LYS B 6 -5.545 0.011 11.935 1.00 0.00 N ATOM 0 H LYS B 6 -5.244 -3.990 10.148 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.656 -2.615 8.284 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.902 -1.638 10.237 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.795 -2.431 11.341 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.900 -1.102 10.294 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.090 -0.236 9.343 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -2.955 -0.259 12.391 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -2.350 1.027 11.366 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.459 1.799 12.187 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.749 1.352 10.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -6.161 0.474 12.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -6.111 -0.282 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -5.102 -0.825 12.366 1.00 0.00 H new ATOM 704 N LEU B 7 -1.848 -4.131 10.600 1.00 0.00 N ATOM 705 CA LEU B 7 -0.508 -4.656 10.924 1.00 0.00 C ATOM 706 C LEU B 7 0.062 -5.585 9.842 1.00 0.00 C ATOM 707 O LEU B 7 1.241 -5.551 9.490 1.00 0.00 O ATOM 708 CB LEU B 7 -0.574 -5.406 12.274 1.00 0.00 C ATOM 709 CG LEU B 7 -0.887 -4.482 13.475 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.128 -5.302 14.758 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.227 -3.436 13.702 1.00 0.00 C ATOM 0 H LEU B 7 -2.527 -4.238 11.353 1.00 0.00 H new ATOM 0 HA LEU B 7 0.167 -3.802 10.983 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.337 -6.182 12.213 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.378 -5.908 12.449 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.803 -3.942 13.233 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.346 -4.627 15.586 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.972 -5.975 14.607 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.237 -5.885 14.990 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.032 -2.808 14.554 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.170 -3.946 13.900 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.330 -2.815 12.812 1.00 0.00 H new ATOM 723 N THR B 8 -0.819 -6.437 9.311 1.00 0.00 N ATOM 724 CA THR B 8 -0.446 -7.383 8.241 1.00 0.00 C ATOM 725 C THR B 8 0.085 -6.668 6.988 1.00 0.00 C ATOM 726 O THR B 8 1.176 -6.932 6.481 1.00 0.00 O ATOM 727 CB THR B 8 -1.681 -8.245 7.873 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.110 -8.969 9.030 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.410 -9.249 6.734 1.00 0.00 C ATOM 0 H THR B 8 -1.795 -6.496 9.600 1.00 0.00 H new ATOM 0 HA THR B 8 0.360 -8.013 8.616 1.00 0.00 H new ATOM 0 HB THR B 8 -2.450 -7.557 7.521 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.622 -8.374 9.617 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.316 -9.819 6.528 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.109 -8.709 5.836 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.613 -9.930 7.031 1.00 0.00 H new ATOM 737 N ILE B 9 -0.725 -5.730 6.486 1.00 0.00 N ATOM 738 CA ILE B 9 -0.423 -5.048 5.213 1.00 0.00 C ATOM 739 C ILE B 9 0.707 -4.002 5.323 1.00 0.00 C ATOM 740 O ILE B 9 1.503 -3.809 4.405 1.00 0.00 O ATOM 741 CB ILE B 9 -1.718 -4.422 4.623 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.549 -3.961 3.156 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.280 -3.269 5.482 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.237 -5.113 2.178 1.00 0.00 C ATOM 0 H ILE B 9 -1.589 -5.424 6.934 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.046 -5.809 4.530 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.447 -5.232 4.639 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.462 -3.460 2.834 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.746 -3.225 3.105 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.183 -2.875 5.016 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.518 -3.640 6.479 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.536 -2.476 5.558 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.132 -4.715 1.169 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.308 -5.601 2.474 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.050 -5.838 2.199 1.00 0.00 H new ATOM 756 N CYS B 10 0.782 -3.338 6.486 1.00 0.00 N ATOM 757 CA CYS B 10 1.685 -2.184 6.697 1.00 0.00 C ATOM 758 C CYS B 10 3.122 -2.378 6.185 1.00 0.00 C ATOM 759 O CYS B 10 3.595 -1.545 5.414 1.00 0.00 O ATOM 760 CB CYS B 10 1.762 -1.755 8.180 1.00 0.00 C ATOM 761 SG CYS B 10 0.190 -1.213 8.895 1.00 0.00 S ATOM 0 H CYS B 10 0.225 -3.579 7.305 1.00 0.00 H new ATOM 0 HA CYS B 10 1.220 -1.403 6.095 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.143 -2.591 8.766 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.486 -0.945 8.272 1.00 0.00 H new ATOM 766 N PRO B 11 3.859 -3.436 6.565 1.00 0.00 N ATOM 767 CA PRO B 11 5.261 -3.632 6.148 1.00 0.00 C ATOM 768 C PRO B 11 5.446 -3.601 4.624 1.00 0.00 C ATOM 769 O PRO B 11 6.369 -2.997 4.073 1.00 0.00 O ATOM 770 CB PRO B 11 5.649 -4.999 6.740 1.00 0.00 C ATOM 771 CG PRO B 11 4.313 -5.700 6.938 1.00 0.00 C ATOM 772 CD PRO B 11 3.398 -4.560 7.395 1.00 0.00 C ATOM 0 HA PRO B 11 5.897 -2.823 6.506 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.298 -5.558 6.066 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.187 -4.889 7.682 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.957 -6.160 6.016 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.378 -6.491 7.685 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.346 -4.789 7.222 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.508 -4.352 8.459 1.00 0.00 H new ATOM 780 N THR B 12 4.524 -4.282 3.939 1.00 0.00 N ATOM 781 CA THR B 12 4.497 -4.288 2.462 1.00 0.00 C ATOM 782 C THR B 12 4.354 -2.857 1.914 1.00 0.00 C ATOM 783 O THR B 12 5.081 -2.401 1.033 1.00 0.00 O ATOM 784 CB THR B 12 3.318 -5.159 1.963 1.00 0.00 C ATOM 785 OG1 THR B 12 3.380 -6.446 2.587 1.00 0.00 O ATOM 786 CG2 THR B 12 3.348 -5.358 0.435 1.00 0.00 C ATOM 0 H THR B 12 3.787 -4.836 4.375 1.00 0.00 H new ATOM 0 HA THR B 12 5.437 -4.705 2.101 1.00 0.00 H new ATOM 0 HB THR B 12 2.397 -4.638 2.224 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.736 -7.048 2.160 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.502 -5.975 0.132 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.286 -4.389 -0.059 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.277 -5.851 0.151 1.00 0.00 H new ATOM 794 N LEU B 13 3.380 -2.136 2.476 1.00 0.00 N ATOM 795 CA LEU B 13 3.094 -0.744 2.075 1.00 0.00 C ATOM 796 C LEU B 13 4.288 0.200 2.276 1.00 0.00 C ATOM 797 O LEU B 13 4.538 1.115 1.495 1.00 0.00 O ATOM 798 CB LEU B 13 1.891 -0.205 2.876 1.00 0.00 C ATOM 799 CG LEU B 13 0.598 -1.021 2.683 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.511 -0.511 3.628 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.123 -1.017 1.214 1.00 0.00 C ATOM 0 H LEU B 13 2.771 -2.490 3.214 1.00 0.00 H new ATOM 0 HA LEU B 13 2.872 -0.769 1.008 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.148 -0.194 3.935 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.705 0.828 2.582 1.00 0.00 H new ATOM 0 HG LEU B 13 0.823 -2.056 2.940 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.416 -1.099 3.477 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.182 -0.610 4.662 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.719 0.537 3.412 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.791 -1.604 1.126 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.072 0.008 0.897 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.896 -1.452 0.580 1.00 0.00 H new ATOM 813 N LYS B 14 5.015 -0.011 3.376 1.00 0.00 N ATOM 814 CA LYS B 14 6.221 0.783 3.681 1.00 0.00 C ATOM 815 C LYS B 14 7.303 0.611 2.608 1.00 0.00 C ATOM 816 O LYS B 14 8.027 1.534 2.231 1.00 0.00 O ATOM 817 CB LYS B 14 6.784 0.385 5.066 1.00 0.00 C ATOM 818 CG LYS B 14 5.865 0.778 6.248 1.00 0.00 C ATOM 819 CD LYS B 14 5.539 2.288 6.374 1.00 0.00 C ATOM 820 CE LYS B 14 6.755 3.197 6.664 1.00 0.00 C ATOM 821 NZ LYS B 14 7.604 3.324 5.469 1.00 0.00 N ATOM 0 H LYS B 14 4.795 -0.722 4.073 1.00 0.00 H new ATOM 0 HA LYS B 14 5.929 1.833 3.694 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.946 -0.693 5.086 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.757 0.856 5.202 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.928 0.230 6.153 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.335 0.448 7.175 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.068 2.621 5.449 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.807 2.421 7.170 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.412 4.182 6.979 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.337 2.783 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.967 4.296 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.402 2.660 5.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.044 3.106 4.620 1.00 0.00 H new ATOM 835 N SER B 15 7.423 -0.627 2.125 1.00 0.00 N ATOM 836 CA SER B 15 8.333 -0.929 1.003 1.00 0.00 C ATOM 837 C SER B 15 7.948 -0.126 -0.251 1.00 0.00 C ATOM 838 O SER B 15 8.774 0.445 -0.963 1.00 0.00 O ATOM 839 CB SER B 15 8.316 -2.441 0.690 1.00 0.00 C ATOM 840 OG SER B 15 8.667 -3.183 1.862 1.00 0.00 O ATOM 0 H SER B 15 6.911 -1.433 2.484 1.00 0.00 H new ATOM 0 HA SER B 15 9.341 -0.639 1.299 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.327 -2.739 0.343 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.016 -2.663 -0.115 1.00 0.00 H new ATOM 0 HG SER B 15 7.928 -3.148 2.505 1.00 0.00 H new ATOM 846 N MET B 16 6.636 -0.093 -0.515 1.00 0.00 N ATOM 847 CA MET B 16 6.084 0.721 -1.615 1.00 0.00 C ATOM 848 C MET B 16 6.442 2.207 -1.433 1.00 0.00 C ATOM 849 O MET B 16 6.846 2.921 -2.351 1.00 0.00 O ATOM 850 CB MET B 16 4.542 0.593 -1.652 1.00 0.00 C ATOM 851 CG MET B 16 3.951 1.131 -2.971 1.00 0.00 C ATOM 852 SD MET B 16 2.277 1.801 -2.781 1.00 0.00 S ATOM 853 CE MET B 16 1.344 0.308 -2.373 1.00 0.00 C ATOM 0 H MET B 16 5.937 -0.616 0.012 1.00 0.00 H new ATOM 0 HA MET B 16 6.516 0.354 -2.546 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.262 -0.453 -1.529 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.112 1.139 -0.812 1.00 0.00 H new ATOM 0 HG2 MET B 16 4.605 1.910 -3.364 1.00 0.00 H new ATOM 0 HG3 MET B 16 3.933 0.328 -3.708 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.363 0.586 -1.987 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.223 -0.301 -3.269 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.883 -0.262 -1.616 1.00 0.00 H new ATOM 863 N ALA B 17 6.287 2.653 -0.181 1.00 0.00 N ATOM 864 CA ALA B 17 6.478 4.062 0.212 1.00 0.00 C ATOM 865 C ALA B 17 7.869 4.602 -0.150 1.00 0.00 C ATOM 866 O ALA B 17 8.057 5.779 -0.453 1.00 0.00 O ATOM 867 CB ALA B 17 6.237 4.210 1.729 1.00 0.00 C ATOM 0 H ALA B 17 6.024 2.046 0.596 1.00 0.00 H new ATOM 0 HA ALA B 17 5.755 4.654 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.378 5.251 2.020 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.219 3.901 1.968 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.943 3.582 2.273 1.00 0.00 H new ATOM 873 N LYS B 18 8.863 3.707 -0.102 1.00 0.00 N ATOM 874 CA LYS B 18 10.252 4.057 -0.470 1.00 0.00 C ATOM 875 C LYS B 18 10.336 4.823 -1.802 1.00 0.00 C ATOM 876 O LYS B 18 11.141 5.735 -1.994 1.00 0.00 O ATOM 877 CB LYS B 18 11.142 2.797 -0.559 1.00 0.00 C ATOM 878 CG LYS B 18 11.220 1.995 0.761 1.00 0.00 C ATOM 879 CD LYS B 18 12.407 1.001 0.793 1.00 0.00 C ATOM 880 CE LYS B 18 12.408 -0.051 -0.340 1.00 0.00 C ATOM 881 NZ LYS B 18 11.270 -0.966 -0.186 1.00 0.00 N ATOM 0 H LYS B 18 8.738 2.737 0.186 1.00 0.00 H new ATOM 0 HA LYS B 18 10.615 4.710 0.324 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.759 2.147 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS B 18 12.149 3.094 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.311 2.689 1.597 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.289 1.446 0.902 1.00 0.00 H new ATOM 0 HD2 LYS B 18 13.337 1.567 0.744 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.401 0.481 1.751 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.355 0.447 -1.308 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.341 -0.614 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.439 -1.827 -0.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.161 -1.219 0.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 10.403 -0.501 -0.522 1.00 0.00 H new ATOM 895 N LYS B 19 9.468 4.425 -2.740 1.00 0.00 N ATOM 896 CA LYS B 19 9.399 5.075 -4.061 1.00 0.00 C ATOM 897 C LYS B 19 7.940 5.344 -4.482 1.00 0.00 C ATOM 898 O LYS B 19 7.387 4.786 -5.433 1.00 0.00 O ATOM 899 CB LYS B 19 10.123 4.172 -5.088 1.00 0.00 C ATOM 900 CG LYS B 19 10.297 4.835 -6.472 1.00 0.00 C ATOM 901 CD LYS B 19 11.017 3.910 -7.475 1.00 0.00 C ATOM 902 CE LYS B 19 11.208 4.562 -8.860 1.00 0.00 C ATOM 903 NZ LYS B 19 12.052 5.760 -8.739 1.00 0.00 N ATOM 0 H LYS B 19 8.805 3.660 -2.613 1.00 0.00 H new ATOM 0 HA LYS B 19 9.892 6.046 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.104 3.903 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.561 3.245 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.319 5.106 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.864 5.759 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.991 3.633 -7.072 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.445 2.989 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.668 3.851 -9.546 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.239 4.830 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.344 6.076 -9.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.514 6.518 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.896 5.535 -8.174 1.00 0.00 H new ATOM 917 N CYS B 20 7.292 6.221 -3.705 1.00 0.00 N ATOM 918 CA CYS B 20 5.955 6.738 -4.066 1.00 0.00 C ATOM 919 C CYS B 20 5.981 8.220 -4.466 1.00 0.00 C ATOM 920 O CYS B 20 6.941 8.967 -4.275 1.00 0.00 O ATOM 921 CB CYS B 20 4.952 6.536 -2.908 1.00 0.00 C ATOM 922 SG CYS B 20 4.550 4.797 -2.617 1.00 0.00 S ATOM 0 H CYS B 20 7.663 6.588 -2.829 1.00 0.00 H new ATOM 0 HA CYS B 20 5.632 6.164 -4.934 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.367 6.965 -1.996 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.035 7.083 -3.129 1.00 0.00 H new ATOM 927 N GLU B 21 4.850 8.640 -5.040 1.00 0.00 N ATOM 928 CA GLU B 21 4.673 10.023 -5.526 1.00 0.00 C ATOM 929 C GLU B 21 4.446 11.011 -4.372 1.00 0.00 C ATOM 930 O GLU B 21 4.124 10.645 -3.244 1.00 0.00 O ATOM 931 CB GLU B 21 3.428 10.052 -6.438 1.00 0.00 C ATOM 932 CG GLU B 21 3.503 9.042 -7.612 1.00 0.00 C ATOM 933 CD GLU B 21 2.194 8.970 -8.427 1.00 0.00 C ATOM 934 OE1 GLU B 21 1.302 9.800 -8.244 1.00 0.00 O ATOM 935 OE2 GLU B 21 2.086 8.065 -9.252 1.00 0.00 O ATOM 0 H GLU B 21 4.036 8.043 -5.183 1.00 0.00 H new ATOM 0 HA GLU B 21 5.577 10.321 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.543 9.837 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.304 11.057 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.322 9.322 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.735 8.052 -7.219 1.00 0.00 H new ATOM 942 N GLY B 22 4.632 12.297 -4.697 1.00 0.00 N ATOM 943 CA GLY B 22 4.314 13.440 -3.810 1.00 0.00 C ATOM 944 C GLY B 22 4.743 13.262 -2.345 1.00 0.00 C ATOM 945 O GLY B 22 5.877 13.502 -1.933 1.00 0.00 O ATOM 0 H GLY B 22 5.014 12.585 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.794 14.334 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.239 13.616 -3.840 1.00 0.00 H new ATOM 949 N SER B 23 3.766 12.817 -1.548 1.00 0.00 N ATOM 950 CA SER B 23 3.988 12.476 -0.127 1.00 0.00 C ATOM 951 C SER B 23 3.009 11.379 0.329 1.00 0.00 C ATOM 952 O SER B 23 2.537 11.294 1.463 1.00 0.00 O ATOM 953 CB SER B 23 3.828 13.747 0.741 1.00 0.00 C ATOM 954 OG SER B 23 2.507 14.282 0.595 1.00 0.00 O ATOM 0 H SER B 23 2.804 12.682 -1.860 1.00 0.00 H new ATOM 0 HA SER B 23 5.000 12.090 -0.008 1.00 0.00 H new ATOM 0 HB2 SER B 23 4.018 13.508 1.787 1.00 0.00 H new ATOM 0 HB3 SER B 23 4.565 14.493 0.446 1.00 0.00 H new ATOM 0 HG SER B 23 2.416 15.085 1.150 1.00 0.00 H new ATOM 960 N ILE B 24 2.721 10.498 -0.629 1.00 0.00 N ATOM 961 CA ILE B 24 1.929 9.276 -0.410 1.00 0.00 C ATOM 962 C ILE B 24 2.626 8.341 0.585 1.00 0.00 C ATOM 963 O ILE B 24 2.019 7.707 1.446 1.00 0.00 O ATOM 964 CB ILE B 24 1.742 8.587 -1.787 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.895 9.453 -2.753 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.199 7.148 -1.675 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.554 9.699 -2.277 1.00 0.00 C ATOM 0 H ILE B 24 3.033 10.610 -1.594 1.00 0.00 H new ATOM 0 HA ILE B 24 0.959 9.525 0.021 1.00 0.00 H new ATOM 0 HB ILE B 24 2.739 8.497 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.389 10.415 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.868 8.968 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.091 6.721 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE B 24 1.894 6.541 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.228 7.163 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.078 10.313 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.069 8.744 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.539 10.214 -1.316 1.00 0.00 H new ATOM 979 N ALA B 25 3.948 8.255 0.421 1.00 0.00 N ATOM 980 CA ALA B 25 4.821 7.497 1.337 1.00 0.00 C ATOM 981 C ALA B 25 4.554 7.841 2.811 1.00 0.00 C ATOM 982 O ALA B 25 4.453 6.990 3.692 1.00 0.00 O ATOM 983 CB ALA B 25 6.283 7.843 0.995 1.00 0.00 C ATOM 0 H ALA B 25 4.448 8.705 -0.346 1.00 0.00 H new ATOM 0 HA ALA B 25 4.618 6.434 1.209 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.951 7.295 1.659 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.490 7.566 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.443 8.914 1.122 1.00 0.00 H new ATOM 989 N THR B 26 4.447 9.151 3.059 1.00 0.00 N ATOM 990 CA THR B 26 4.141 9.674 4.405 1.00 0.00 C ATOM 991 C THR B 26 2.805 9.128 4.929 1.00 0.00 C ATOM 992 O THR B 26 2.668 8.688 6.069 1.00 0.00 O ATOM 993 CB THR B 26 4.087 11.222 4.360 1.00 0.00 C ATOM 994 OG1 THR B 26 5.307 11.726 3.811 1.00 0.00 O ATOM 995 CG2 THR B 26 3.876 11.850 5.755 1.00 0.00 C ATOM 0 H THR B 26 4.567 9.873 2.348 1.00 0.00 H new ATOM 0 HA THR B 26 4.930 9.347 5.083 1.00 0.00 H new ATOM 0 HB THR B 26 3.234 11.494 3.738 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.272 12.705 3.781 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.846 12.936 5.664 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.935 11.495 6.175 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.698 11.563 6.411 1.00 0.00 H new ATOM 1003 N MET B 27 1.798 9.172 4.050 1.00 0.00 N ATOM 1004 CA MET B 27 0.437 8.704 4.377 1.00 0.00 C ATOM 1005 C MET B 27 0.406 7.231 4.811 1.00 0.00 C ATOM 1006 O MET B 27 -0.289 6.835 5.745 1.00 0.00 O ATOM 1007 CB MET B 27 -0.498 8.895 3.165 1.00 0.00 C ATOM 1008 CG MET B 27 -0.573 10.358 2.686 1.00 0.00 C ATOM 1009 SD MET B 27 -1.609 10.540 1.213 1.00 0.00 S ATOM 1010 CE MET B 27 -1.320 12.292 0.859 1.00 0.00 C ATOM 0 H MET B 27 1.896 9.529 3.099 1.00 0.00 H new ATOM 0 HA MET B 27 0.093 9.306 5.218 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.152 8.267 2.344 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.499 8.553 3.428 1.00 0.00 H new ATOM 0 HG2 MET B 27 -0.970 10.981 3.487 1.00 0.00 H new ATOM 0 HG3 MET B 27 0.432 10.720 2.469 1.00 0.00 H new ATOM 0 HE1 MET B 27 -1.886 12.582 -0.026 1.00 0.00 H new ATOM 0 HE2 MET B 27 -1.643 12.893 1.709 1.00 0.00 H new ATOM 0 HE3 MET B 27 -0.257 12.457 0.681 1.00 0.00 H new ATOM 1020 N ILE B 28 1.173 6.397 4.096 1.00 0.00 N ATOM 1021 CA ILE B 28 1.281 4.963 4.431 1.00 0.00 C ATOM 1022 C ILE B 28 1.662 4.763 5.906 1.00 0.00 C ATOM 1023 O ILE B 28 1.023 4.045 6.674 1.00 0.00 O ATOM 1024 CB ILE B 28 2.333 4.278 3.517 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.928 4.274 2.025 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.684 2.851 3.999 1.00 0.00 C ATOM 1027 CD1 ILE B 28 0.606 3.531 1.740 1.00 0.00 C ATOM 0 H ILE B 28 1.725 6.683 3.288 1.00 0.00 H new ATOM 0 HA ILE B 28 0.306 4.505 4.266 1.00 0.00 H new ATOM 0 HB ILE B 28 3.232 4.889 3.599 1.00 0.00 H new ATOM 0 HG12 ILE B 28 1.836 5.304 1.680 1.00 0.00 H new ATOM 0 HG13 ILE B 28 2.726 3.813 1.443 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.423 2.412 3.329 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.092 2.898 5.009 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.784 2.236 4.000 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.389 3.571 0.673 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.699 2.491 2.052 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -0.205 4.005 2.293 1.00 0.00 H new ATOM 1039 N LYS B 29 2.750 5.432 6.291 1.00 0.00 N ATOM 1040 CA LYS B 29 3.236 5.394 7.682 1.00 0.00 C ATOM 1041 C LYS B 29 2.189 5.935 8.670 1.00 0.00 C ATOM 1042 O LYS B 29 1.941 5.393 9.743 1.00 0.00 O ATOM 1043 CB LYS B 29 4.529 6.233 7.782 1.00 0.00 C ATOM 1044 CG LYS B 29 5.192 6.142 9.174 1.00 0.00 C ATOM 1045 CD LYS B 29 6.494 6.965 9.285 1.00 0.00 C ATOM 1046 CE LYS B 29 7.608 6.472 8.337 1.00 0.00 C ATOM 1047 NZ LYS B 29 8.812 7.290 8.534 1.00 0.00 N ATOM 0 H LYS B 29 3.314 6.007 5.665 1.00 0.00 H new ATOM 0 HA LYS B 29 3.432 4.355 7.949 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.236 5.895 7.024 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.299 7.275 7.561 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.486 6.489 9.929 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.410 5.098 9.397 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.275 8.010 9.066 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.856 6.924 10.312 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.831 5.423 8.534 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.275 6.538 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.564 6.960 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.593 8.285 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.132 7.205 9.520 1.00 0.00 H new ATOM 1061 N LYS B 30 1.559 7.040 8.263 1.00 0.00 N ATOM 1062 CA LYS B 30 0.620 7.783 9.123 1.00 0.00 C ATOM 1063 C LYS B 30 -0.559 6.911 9.589 1.00 0.00 C ATOM 1064 O LYS B 30 -0.821 6.716 10.775 1.00 0.00 O ATOM 1065 CB LYS B 30 0.103 9.006 8.327 1.00 0.00 C ATOM 1066 CG LYS B 30 -0.766 9.975 9.155 1.00 0.00 C ATOM 1067 CD LYS B 30 0.037 10.672 10.278 1.00 0.00 C ATOM 1068 CE LYS B 30 -0.799 11.698 11.069 1.00 0.00 C ATOM 1069 NZ LYS B 30 -1.895 11.015 11.770 1.00 0.00 N ATOM 0 H LYS B 30 1.681 7.447 7.336 1.00 0.00 H new ATOM 0 HA LYS B 30 1.145 8.101 10.024 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.957 9.553 7.926 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.477 8.652 7.475 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.193 10.730 8.495 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.599 9.427 9.594 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.421 9.917 10.965 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.900 11.174 9.842 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.166 12.220 11.787 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.202 12.451 10.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.371 11.686 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.578 10.652 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.512 10.223 12.325 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.283 6.373 8.603 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.462 5.526 8.863 1.00 0.00 C ATOM 1085 C LYS B 31 -2.076 4.123 9.350 1.00 0.00 C ATOM 1086 O LYS B 31 -2.497 3.644 10.403 1.00 0.00 O ATOM 1087 CB LYS B 31 -3.332 5.407 7.587 1.00 0.00 C ATOM 1088 CG LYS B 31 -4.078 6.702 7.186 1.00 0.00 C ATOM 1089 CD LYS B 31 -3.153 7.860 6.761 1.00 0.00 C ATOM 1090 CE LYS B 31 -3.921 9.110 6.302 1.00 0.00 C ATOM 1091 NZ LYS B 31 -2.957 10.157 5.933 1.00 0.00 N ATOM 0 H LYS B 31 -1.076 6.507 7.613 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.031 6.011 9.657 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.695 5.100 6.758 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -4.065 4.614 7.737 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -4.759 6.476 6.365 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.690 7.030 8.026 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -2.506 8.125 7.597 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -2.506 7.521 5.952 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -4.558 8.869 5.451 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.574 9.464 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -3.443 11.075 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -2.203 10.202 6.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -2.542 9.935 5.006 1.00 0.00 H new ATOM 1105 N CYS B 32 -1.254 3.456 8.534 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.876 2.048 8.770 1.00 0.00 C ATOM 1107 C CYS B 32 0.317 1.930 9.739 1.00 0.00 C ATOM 1108 O CYS B 32 1.446 1.578 9.395 1.00 0.00 O ATOM 1109 CB CYS B 32 -0.553 1.390 7.405 1.00 0.00 C ATOM 1110 SG CYS B 32 -0.870 -0.393 7.381 1.00 0.00 S ATOM 0 H CYS B 32 -0.833 3.865 7.700 1.00 0.00 H new ATOM 0 HA CYS B 32 -1.710 1.529 9.243 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -1.149 1.869 6.628 1.00 0.00 H new ATOM 0 HB3 CYS B 32 0.494 1.570 7.161 1.00 0.00 H new ATOM 1115 N ASP B 33 0.033 2.255 11.005 1.00 0.00 N ATOM 1116 CA ASP B 33 1.041 2.194 12.084 1.00 0.00 C ATOM 1117 C ASP B 33 0.383 2.379 13.460 1.00 0.00 C ATOM 1118 O ASP B 33 -0.773 2.783 13.615 1.00 0.00 O ATOM 1119 CB ASP B 33 2.087 3.320 11.858 1.00 0.00 C ATOM 1120 CG ASP B 33 3.220 3.273 12.894 1.00 0.00 C ATOM 1121 OD1 ASP B 33 3.939 2.275 12.945 1.00 0.00 O ATOM 1122 OD2 ASP B 33 3.369 4.236 13.647 1.00 0.00 O ATOM 0 H ASP B 33 -0.888 2.565 11.314 1.00 0.00 H new ATOM 0 HA ASP B 33 1.523 1.217 12.062 1.00 0.00 H new ATOM 0 HB2 ASP B 33 2.508 3.227 10.857 1.00 0.00 H new ATOM 0 HB3 ASP B 33 1.591 4.290 11.907 1.00 0.00 H new ATOM 1127 N LYS B 34 1.173 2.072 14.491 1.00 0.00 N ATOM 1128 CA LYS B 34 0.760 2.251 15.899 1.00 0.00 C ATOM 1129 C LYS B 34 1.940 2.670 16.800 1.00 0.00 C ATOM 1130 O LYS B 34 3.093 2.585 16.376 1.00 0.00 O ATOM 1131 CB LYS B 34 0.172 0.924 16.440 1.00 0.00 C ATOM 1132 CG LYS B 34 -1.075 0.434 15.675 1.00 0.00 C ATOM 1133 CD LYS B 34 -1.631 -0.929 16.153 1.00 0.00 C ATOM 1134 CE LYS B 34 -2.187 -0.952 17.595 1.00 0.00 C ATOM 1135 NZ LYS B 34 -1.095 -0.912 18.578 1.00 0.00 N ATOM 1136 OXT LYS B 34 1.691 3.074 17.936 1.00 0.00 O ATOM 0 H LYS B 34 2.114 1.694 14.383 1.00 0.00 H new ATOM 0 HA LYS B 34 0.013 3.045 15.921 1.00 0.00 H new ATOM 0 HB2 LYS B 34 0.940 0.152 16.394 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.087 1.054 17.491 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.860 1.184 15.768 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -0.829 0.360 14.616 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -2.424 -1.237 15.472 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -0.838 -1.672 16.076 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -2.850 -0.100 17.747 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -2.784 -1.852 17.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -1.274 -1.614 19.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -0.195 -1.131 18.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -1.043 0.037 19.000 1.00 0.00 H new TER 1150 LYS B 34