USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 676 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 68 MET CE :methyl 137:sc= -3.16! (180deg=-3.83!) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.1 K(o=-3.3,f=-5.8!) USER MOD Set 2.1: A 7 SER OG : rot -179:sc= -0.608 USER MOD Set 2.2: A 56 GLN : amide:sc= -3.33! C(o=-3.9!,f=-9.6!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 81 GLN : amide:sc= -3.5 X(o=-3.3,f=-3.7!) USER MOD Set 3.3: A 82 SER OG : rot 40:sc= 0.165 USER MOD Single : A 5 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.57!) USER MOD Single : A 6 SER OG : rot 180:sc= -2.76 USER MOD Single : A 19 THR OG1 : rot -168:sc= 0.416 USER MOD Single : A 21 MET CE :methyl -162:sc= -10.1! (180deg=-11.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot -179:sc= 0.00143 USER MOD Single : A 30 SER OG : rot -33:sc= -0.0398 USER MOD Single : A 32 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -8.54! C(o=-8.5!,f=-12!) USER MOD Single : A 57 CYS SG : rot 74:sc= -2.7! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -120:sc= -0.0133 USER MOD Single : A 74 THR OG1 : rot -54:sc= 0.835 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 167:sc= -0.329 (180deg=-0.658) USER MOD Single : A 89 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 8.081 -0.743 0.504 1.00 0.00 N ATOM 66 CA LYS A 5 6.752 -1.303 0.689 1.00 0.00 C ATOM 67 C LYS A 5 6.161 -1.663 -0.676 1.00 0.00 C ATOM 68 O LYS A 5 6.722 -1.311 -1.712 1.00 0.00 O ATOM 69 CB LYS A 5 5.877 -0.348 1.504 1.00 0.00 C ATOM 70 CG LYS A 5 6.356 -0.272 2.956 1.00 0.00 C ATOM 71 CD LYS A 5 5.655 -1.323 3.820 1.00 0.00 C ATOM 72 CE LYS A 5 4.306 -0.808 4.325 1.00 0.00 C ATOM 73 NZ LYS A 5 4.497 0.092 5.483 1.00 0.00 N ATOM 0 HA LYS A 5 6.804 -2.225 1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.902 0.646 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.841 -0.685 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.435 -0.424 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.160 0.723 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.506 -2.234 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.289 -1.584 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.790 -0.277 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.673 -1.648 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.959 -0.269 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.507 0.134 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.160 1.046 5.241 1.00 0.00 H new ATOM 87 N SER A 6 5.035 -2.361 -0.632 1.00 0.00 N ATOM 88 CA SER A 6 4.362 -2.774 -1.852 1.00 0.00 C ATOM 89 C SER A 6 2.875 -3.000 -1.577 1.00 0.00 C ATOM 90 O SER A 6 2.458 -3.085 -0.424 1.00 0.00 O ATOM 91 CB SER A 6 4.995 -4.042 -2.428 1.00 0.00 C ATOM 92 OG SER A 6 4.217 -4.592 -3.488 1.00 0.00 O ATOM 0 H SER A 6 4.572 -2.651 0.229 1.00 0.00 H new ATOM 0 HA SER A 6 4.472 -1.979 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.996 -3.814 -2.794 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.106 -4.784 -1.637 1.00 0.00 H new ATOM 0 HG SER A 6 4.655 -5.399 -3.830 1.00 0.00 H new ATOM 98 N SER A 7 2.113 -3.089 -2.658 1.00 0.00 N ATOM 99 CA SER A 7 0.680 -3.304 -2.549 1.00 0.00 C ATOM 100 C SER A 7 0.290 -4.606 -3.252 1.00 0.00 C ATOM 101 O SER A 7 0.845 -4.941 -4.296 1.00 0.00 O ATOM 102 CB SER A 7 -0.099 -2.127 -3.140 1.00 0.00 C ATOM 103 OG SER A 7 -1.333 -2.542 -3.720 1.00 0.00 O ATOM 0 H SER A 7 2.462 -3.016 -3.614 1.00 0.00 H new ATOM 0 HA SER A 7 0.425 -3.380 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.294 -1.392 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.510 -1.633 -3.897 1.00 0.00 H new ATOM 0 HG SER A 7 -1.794 -1.765 -4.099 1.00 0.00 H new ATOM 109 N ILE A 8 -0.661 -5.304 -2.649 1.00 0.00 N ATOM 110 CA ILE A 8 -1.132 -6.562 -3.204 1.00 0.00 C ATOM 111 C ILE A 8 -2.651 -6.647 -3.046 1.00 0.00 C ATOM 112 O ILE A 8 -3.162 -6.678 -1.927 1.00 0.00 O ATOM 113 CB ILE A 8 -0.380 -7.737 -2.577 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.134 -7.552 -2.704 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.848 -9.067 -3.174 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.701 -6.823 -1.485 1.00 0.00 C ATOM 0 H ILE A 8 -1.118 -5.023 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.920 -6.612 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.611 -7.762 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.615 -8.524 -2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.360 -6.987 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.298 -9.887 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.914 -9.194 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.665 -9.068 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.778 -6.704 -1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.235 -5.841 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.494 -7.403 -0.586 1.00 0.00 H new ATOM 128 N LEU A 9 -3.331 -6.683 -4.182 1.00 0.00 N ATOM 129 CA LEU A 9 -4.781 -6.765 -4.184 1.00 0.00 C ATOM 130 C LEU A 9 -5.205 -8.233 -4.119 1.00 0.00 C ATOM 131 O LEU A 9 -4.902 -9.011 -5.022 1.00 0.00 O ATOM 132 CB LEU A 9 -5.359 -6.010 -5.382 1.00 0.00 C ATOM 133 CG LEU A 9 -6.872 -5.777 -5.364 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.260 -4.791 -4.259 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.374 -5.327 -6.736 1.00 0.00 C ATOM 0 H LEU A 9 -2.904 -6.657 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.191 -6.275 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.863 -5.042 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.107 -6.560 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.362 -6.724 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.340 -4.642 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.956 -5.191 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.761 -3.837 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.452 -5.169 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.881 -4.396 -7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.148 -6.095 -7.476 1.00 0.00 H new ATOM 147 N LEU A 10 -5.900 -8.569 -3.041 1.00 0.00 N ATOM 148 CA LEU A 10 -6.369 -9.930 -2.847 1.00 0.00 C ATOM 149 C LEU A 10 -7.844 -10.019 -3.244 1.00 0.00 C ATOM 150 O LEU A 10 -8.567 -9.026 -3.183 1.00 0.00 O ATOM 151 CB LEU A 10 -6.088 -10.394 -1.416 1.00 0.00 C ATOM 152 CG LEU A 10 -4.616 -10.610 -1.058 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.923 -9.278 -0.762 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.474 -11.600 0.101 1.00 0.00 C ATOM 0 H LEU A 10 -6.149 -7.921 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.823 -10.617 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.505 -9.658 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.624 -11.328 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.115 -11.049 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.878 -9.460 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.978 -8.636 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.418 -8.789 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.418 -11.736 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.994 -11.212 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.909 -12.558 -0.184 1.00 0.00 H new ATOM 166 N ASP A 11 -8.245 -11.217 -3.642 1.00 0.00 N ATOM 167 CA ASP A 11 -9.621 -11.449 -4.049 1.00 0.00 C ATOM 168 C ASP A 11 -10.095 -12.792 -3.490 1.00 0.00 C ATOM 169 O ASP A 11 -9.868 -13.836 -4.099 1.00 0.00 O ATOM 170 CB ASP A 11 -9.743 -11.501 -5.573 1.00 0.00 C ATOM 171 CG ASP A 11 -10.853 -10.629 -6.164 1.00 0.00 C ATOM 172 OD1 ASP A 11 -12.024 -10.822 -5.660 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.610 -9.807 -7.059 1.00 0.00 O ATOM 0 H ASP A 11 -7.641 -12.038 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.228 -10.629 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.792 -11.196 -6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.915 -12.535 -5.873 1.00 0.00 H new ATOM 178 N VAL A 12 -10.743 -12.722 -2.337 1.00 0.00 N ATOM 179 CA VAL A 12 -11.251 -13.919 -1.690 1.00 0.00 C ATOM 180 C VAL A 12 -12.628 -14.259 -2.263 1.00 0.00 C ATOM 181 O VAL A 12 -13.388 -13.367 -2.633 1.00 0.00 O ATOM 182 CB VAL A 12 -11.267 -13.725 -0.172 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.655 -15.023 0.542 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.917 -13.207 0.330 1.00 0.00 C ATOM 0 H VAL A 12 -10.928 -11.854 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.597 -14.768 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.022 -12.974 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.659 -14.858 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.649 -15.333 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.934 -15.803 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.956 -13.078 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.136 -13.924 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.696 -12.249 -0.142 1.00 0.00 H new ATOM 194 N LYS A 13 -12.906 -15.554 -2.320 1.00 0.00 N ATOM 195 CA LYS A 13 -14.178 -16.023 -2.843 1.00 0.00 C ATOM 196 C LYS A 13 -14.973 -16.686 -1.717 1.00 0.00 C ATOM 197 O LYS A 13 -14.503 -17.638 -1.096 1.00 0.00 O ATOM 198 CB LYS A 13 -13.957 -16.929 -4.056 1.00 0.00 C ATOM 199 CG LYS A 13 -15.261 -17.141 -4.827 1.00 0.00 C ATOM 200 CD LYS A 13 -15.640 -18.622 -4.869 1.00 0.00 C ATOM 201 CE LYS A 13 -16.953 -18.831 -5.626 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.687 -19.317 -6.999 1.00 0.00 N ATOM 0 H LYS A 13 -12.272 -16.292 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.774 -15.185 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.209 -16.486 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.563 -17.891 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.062 -16.570 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.153 -16.761 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.844 -19.191 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.737 -19.005 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.576 -19.550 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.510 -17.895 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.588 -19.454 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.110 -18.618 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.175 -20.221 -6.954 1.00 0.00 H new ATOM 216 N PRO A 14 -16.198 -16.143 -1.481 1.00 0.00 N ATOM 217 CA PRO A 14 -17.063 -16.672 -0.441 1.00 0.00 C ATOM 218 C PRO A 14 -17.696 -17.996 -0.874 1.00 0.00 C ATOM 219 O PRO A 14 -18.198 -18.112 -1.991 1.00 0.00 O ATOM 220 CB PRO A 14 -18.088 -15.577 -0.189 1.00 0.00 C ATOM 221 CG PRO A 14 -18.044 -14.675 -1.411 1.00 0.00 C ATOM 222 CD PRO A 14 -16.788 -15.015 -2.196 1.00 0.00 C ATOM 0 HA PRO A 14 -16.522 -16.912 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.084 -15.999 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.849 -15.019 0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.931 -14.823 -2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.035 -13.627 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.025 -15.279 -3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.103 -14.168 -2.234 1.00 0.00 H new ATOM 230 N TRP A 15 -17.652 -18.961 0.033 1.00 0.00 N ATOM 231 CA TRP A 15 -18.214 -20.271 -0.242 1.00 0.00 C ATOM 232 C TRP A 15 -19.562 -20.071 -0.939 1.00 0.00 C ATOM 233 O TRP A 15 -19.902 -20.809 -1.862 1.00 0.00 O ATOM 234 CB TRP A 15 -18.322 -21.101 1.039 1.00 0.00 C ATOM 235 CG TRP A 15 -17.073 -21.928 1.353 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.252 -21.814 2.406 1.00 0.00 C ATOM 237 CD2 TRP A 15 -16.534 -23.005 0.559 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.226 -22.736 2.348 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.404 -23.483 1.189 1.00 0.00 C ATOM 240 CE3 TRP A 15 -16.985 -23.557 -0.653 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -14.631 -24.536 0.684 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.203 -24.608 -1.145 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.063 -25.102 -0.521 1.00 0.00 C ATOM 0 H TRP A 15 -17.236 -18.861 0.959 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.560 -20.839 -0.904 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.523 -20.433 1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.177 -21.772 0.954 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.377 -21.092 3.200 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.476 -22.848 3.030 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.866 -23.198 -1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -13.749 -24.892 1.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.506 -25.067 -2.074 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -14.513 -25.919 -0.964 1.00 0.00 H new ATOM 254 N ASP A 16 -20.292 -19.069 -0.471 1.00 0.00 N ATOM 255 CA ASP A 16 -21.593 -18.763 -1.038 1.00 0.00 C ATOM 256 C ASP A 16 -22.159 -17.514 -0.359 1.00 0.00 C ATOM 257 O ASP A 16 -21.541 -16.963 0.549 1.00 0.00 O ATOM 258 CB ASP A 16 -22.577 -19.911 -0.811 1.00 0.00 C ATOM 259 CG ASP A 16 -23.024 -20.641 -2.079 1.00 0.00 C ATOM 260 OD1 ASP A 16 -22.211 -20.937 -2.966 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.284 -20.911 -2.137 1.00 0.00 O ATOM 0 H ASP A 16 -20.006 -18.459 0.295 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.465 -18.605 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.119 -20.634 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.459 -19.518 -0.306 1.00 0.00 H new ATOM 266 N ASP A 17 -23.330 -17.105 -0.826 1.00 0.00 N ATOM 267 CA ASP A 17 -23.986 -15.931 -0.277 1.00 0.00 C ATOM 268 C ASP A 17 -24.010 -16.034 1.249 1.00 0.00 C ATOM 269 O ASP A 17 -24.001 -15.019 1.944 1.00 0.00 O ATOM 270 CB ASP A 17 -25.432 -15.828 -0.766 1.00 0.00 C ATOM 271 CG ASP A 17 -26.066 -17.153 -1.191 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.605 -17.900 -0.360 1.00 0.00 O ATOM 273 OD2 ASP A 17 -25.992 -17.414 -2.452 1.00 0.00 O ATOM 0 H ASP A 17 -23.841 -17.566 -1.579 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.432 -15.051 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -26.038 -15.391 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.466 -15.139 -1.610 1.00 0.00 H new ATOM 278 N GLU A 18 -24.039 -17.270 1.727 1.00 0.00 N ATOM 279 CA GLU A 18 -24.064 -17.519 3.158 1.00 0.00 C ATOM 280 C GLU A 18 -22.884 -16.823 3.840 1.00 0.00 C ATOM 281 O GLU A 18 -23.043 -16.217 4.898 1.00 0.00 O ATOM 282 CB GLU A 18 -24.061 -19.020 3.454 1.00 0.00 C ATOM 283 CG GLU A 18 -22.765 -19.671 2.966 1.00 0.00 C ATOM 284 CD GLU A 18 -22.786 -21.182 3.210 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.461 -21.920 2.477 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.065 -21.583 4.201 1.00 0.00 O ATOM 0 H GLU A 18 -24.046 -18.110 1.148 1.00 0.00 H new ATOM 0 HA GLU A 18 -24.987 -17.104 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.173 -19.183 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -24.915 -19.492 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.632 -19.472 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.914 -19.227 3.482 1.00 0.00 H new ATOM 293 N THR A 19 -21.727 -16.933 3.203 1.00 0.00 N ATOM 294 CA THR A 19 -20.521 -16.322 3.734 1.00 0.00 C ATOM 295 C THR A 19 -20.728 -14.819 3.935 1.00 0.00 C ATOM 296 O THR A 19 -20.636 -14.044 2.985 1.00 0.00 O ATOM 297 CB THR A 19 -19.366 -16.654 2.787 1.00 0.00 C ATOM 298 OG1 THR A 19 -18.904 -17.926 3.237 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.162 -15.729 2.983 1.00 0.00 C ATOM 0 H THR A 19 -21.600 -17.436 2.325 1.00 0.00 H new ATOM 0 HA THR A 19 -20.278 -16.720 4.719 1.00 0.00 H new ATOM 0 HB THR A 19 -19.711 -16.585 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.043 -18.129 2.815 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.371 -16.008 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.462 -14.698 2.797 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.795 -15.822 4.005 1.00 0.00 H new ATOM 307 N ASP A 20 -21.003 -14.454 5.178 1.00 0.00 N ATOM 308 CA ASP A 20 -21.224 -13.058 5.516 1.00 0.00 C ATOM 309 C ASP A 20 -20.147 -12.199 4.851 1.00 0.00 C ATOM 310 O ASP A 20 -18.989 -12.606 4.766 1.00 0.00 O ATOM 311 CB ASP A 20 -21.139 -12.836 7.027 1.00 0.00 C ATOM 312 CG ASP A 20 -22.441 -12.382 7.689 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.841 -11.202 7.354 1.00 0.00 O ATOM 314 OD2 ASP A 20 -23.042 -13.119 8.486 1.00 0.00 O ATOM 0 H ASP A 20 -21.078 -15.100 5.964 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.219 -12.781 5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.814 -13.764 7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -20.369 -12.091 7.227 1.00 0.00 H new ATOM 319 N MET A 21 -20.566 -11.027 4.396 1.00 0.00 N ATOM 320 CA MET A 21 -19.651 -10.109 3.740 1.00 0.00 C ATOM 321 C MET A 21 -19.201 -9.005 4.699 1.00 0.00 C ATOM 322 O MET A 21 -18.291 -8.239 4.387 1.00 0.00 O ATOM 323 CB MET A 21 -20.339 -9.481 2.526 1.00 0.00 C ATOM 324 CG MET A 21 -20.389 -10.464 1.355 1.00 0.00 C ATOM 325 SD MET A 21 -19.408 -9.847 -0.002 1.00 0.00 S ATOM 326 CE MET A 21 -18.797 -11.387 -0.668 1.00 0.00 C ATOM 0 H MET A 21 -21.527 -10.692 4.469 1.00 0.00 H new ATOM 0 HA MET A 21 -18.772 -10.669 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 21 -21.351 -9.177 2.794 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.804 -8.580 2.226 1.00 0.00 H new ATOM 0 HG2 MET A 21 -20.016 -11.438 1.671 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.421 -10.607 1.033 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.933 -11.191 -1.303 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.505 -12.046 0.149 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.580 -11.864 -1.257 1.00 0.00 H new ATOM 336 N ALA A 22 -19.859 -8.960 5.849 1.00 0.00 N ATOM 337 CA ALA A 22 -19.539 -7.963 6.856 1.00 0.00 C ATOM 338 C ALA A 22 -18.389 -8.475 7.727 1.00 0.00 C ATOM 339 O ALA A 22 -17.591 -7.688 8.233 1.00 0.00 O ATOM 340 CB ALA A 22 -20.791 -7.642 7.675 1.00 0.00 C ATOM 0 H ALA A 22 -20.612 -9.598 6.105 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.211 -7.036 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.550 -6.894 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.568 -7.255 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.149 -8.548 8.163 1.00 0.00 H new ATOM 346 N LYS A 23 -18.340 -9.791 7.872 1.00 0.00 N ATOM 347 CA LYS A 23 -17.302 -10.417 8.672 1.00 0.00 C ATOM 348 C LYS A 23 -16.069 -10.658 7.800 1.00 0.00 C ATOM 349 O LYS A 23 -14.950 -10.334 8.197 1.00 0.00 O ATOM 350 CB LYS A 23 -17.835 -11.683 9.348 1.00 0.00 C ATOM 351 CG LYS A 23 -19.333 -11.562 9.632 1.00 0.00 C ATOM 352 CD LYS A 23 -19.612 -11.620 11.135 1.00 0.00 C ATOM 353 CE LYS A 23 -21.022 -11.119 11.452 1.00 0.00 C ATOM 354 NZ LYS A 23 -20.964 -9.833 12.181 1.00 0.00 N ATOM 0 H LYS A 23 -19.003 -10.441 7.449 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.996 -9.756 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.651 -12.546 8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.297 -11.856 10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.709 -10.624 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.869 -12.366 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.498 -12.644 11.490 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.879 -11.014 11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.586 -10.995 10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.551 -11.860 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.930 -9.507 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.444 -9.962 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.478 -9.124 11.596 1.00 0.00 H new ATOM 368 N LEU A 24 -16.313 -11.227 6.628 1.00 0.00 N ATOM 369 CA LEU A 24 -15.236 -11.515 5.697 1.00 0.00 C ATOM 370 C LEU A 24 -14.500 -10.218 5.357 1.00 0.00 C ATOM 371 O LEU A 24 -13.278 -10.212 5.218 1.00 0.00 O ATOM 372 CB LEU A 24 -15.773 -12.256 4.471 1.00 0.00 C ATOM 373 CG LEU A 24 -14.969 -13.479 4.021 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.552 -14.077 2.739 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.486 -13.135 3.871 1.00 0.00 C ATOM 0 H LEU A 24 -17.241 -11.496 6.302 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.507 -12.185 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.794 -12.574 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.824 -11.553 3.639 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.045 -14.242 4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.962 -14.944 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.583 -14.383 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.526 -13.331 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.938 -14.021 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.369 -12.347 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.093 -12.792 4.828 1.00 0.00 H new ATOM 387 N GLU A 25 -15.274 -9.149 5.234 1.00 0.00 N ATOM 388 CA GLU A 25 -14.711 -7.849 4.914 1.00 0.00 C ATOM 389 C GLU A 25 -14.036 -7.245 6.147 1.00 0.00 C ATOM 390 O GLU A 25 -13.003 -6.587 6.033 1.00 0.00 O ATOM 391 CB GLU A 25 -15.783 -6.909 4.359 1.00 0.00 C ATOM 392 CG GLU A 25 -15.153 -5.643 3.775 1.00 0.00 C ATOM 393 CD GLU A 25 -15.794 -4.388 4.367 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.565 -4.199 5.623 1.00 0.00 O ATOM 395 OE2 GLU A 25 -16.475 -3.641 3.650 1.00 0.00 O ATOM 0 H GLU A 25 -16.287 -9.157 5.350 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.956 -7.982 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.358 -7.422 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.481 -6.640 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.082 -5.639 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.272 -5.640 2.692 1.00 0.00 H new ATOM 402 N GLU A 26 -14.646 -7.491 7.296 1.00 0.00 N ATOM 403 CA GLU A 26 -14.117 -6.979 8.549 1.00 0.00 C ATOM 404 C GLU A 26 -12.855 -7.747 8.945 1.00 0.00 C ATOM 405 O GLU A 26 -11.786 -7.156 9.096 1.00 0.00 O ATOM 406 CB GLU A 26 -15.170 -7.047 9.658 1.00 0.00 C ATOM 407 CG GLU A 26 -14.512 -7.064 11.039 1.00 0.00 C ATOM 408 CD GLU A 26 -15.312 -6.227 12.038 1.00 0.00 C ATOM 409 OE1 GLU A 26 -16.477 -5.893 11.775 1.00 0.00 O ATOM 410 OE2 GLU A 26 -14.681 -5.921 13.121 1.00 0.00 O ATOM 0 H GLU A 26 -15.502 -8.038 7.386 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.853 -5.931 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.840 -6.191 9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.780 -7.941 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.437 -8.091 11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.496 -6.677 10.966 1.00 0.00 H new ATOM 417 N CYS A 27 -13.019 -9.052 9.103 1.00 0.00 N ATOM 418 CA CYS A 27 -11.906 -9.908 9.478 1.00 0.00 C ATOM 419 C CYS A 27 -10.674 -9.466 8.687 1.00 0.00 C ATOM 420 O CYS A 27 -9.689 -9.011 9.267 1.00 0.00 O ATOM 421 CB CYS A 27 -12.228 -11.387 9.255 1.00 0.00 C ATOM 422 SG CYS A 27 -10.951 -12.432 10.046 1.00 0.00 S ATOM 0 H CYS A 27 -13.907 -9.538 8.978 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.708 -9.805 10.545 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.209 -11.621 9.669 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.274 -11.601 8.187 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.224 -13.685 9.835 1.00 0.00 H new ATOM 428 N VAL A 28 -10.768 -9.616 7.374 1.00 0.00 N ATOM 429 CA VAL A 28 -9.672 -9.239 6.497 1.00 0.00 C ATOM 430 C VAL A 28 -9.052 -7.932 6.996 1.00 0.00 C ATOM 431 O VAL A 28 -7.833 -7.769 6.970 1.00 0.00 O ATOM 432 CB VAL A 28 -10.165 -9.153 5.052 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.326 -8.159 4.245 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.167 -10.532 4.391 1.00 0.00 C ATOM 0 H VAL A 28 -11.586 -9.993 6.896 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.890 -9.998 6.515 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.192 -8.788 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.697 -8.117 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.398 -7.170 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.285 -8.481 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.522 -10.443 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.155 -10.937 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.826 -11.200 4.946 1.00 0.00 H new ATOM 444 N ARG A 29 -9.919 -7.033 7.439 1.00 0.00 N ATOM 445 CA ARG A 29 -9.473 -5.746 7.943 1.00 0.00 C ATOM 446 C ARG A 29 -8.869 -5.904 9.340 1.00 0.00 C ATOM 447 O ARG A 29 -7.737 -5.487 9.581 1.00 0.00 O ATOM 448 CB ARG A 29 -10.631 -4.748 8.006 1.00 0.00 C ATOM 449 CG ARG A 29 -10.198 -3.374 7.487 1.00 0.00 C ATOM 450 CD ARG A 29 -9.991 -2.392 8.641 1.00 0.00 C ATOM 451 NE ARG A 29 -11.143 -1.468 8.732 1.00 0.00 N ATOM 452 CZ ARG A 29 -11.424 -0.721 9.808 1.00 0.00 C ATOM 453 NH1 ARG A 29 -10.639 -0.787 10.893 1.00 0.00 N ATOM 454 NH2 ARG A 29 -12.491 0.089 9.802 1.00 0.00 N ATOM 0 H ARG A 29 -10.929 -7.171 7.459 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.717 -5.365 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.468 -5.118 7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.983 -4.658 9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.274 -3.471 6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.953 -2.985 6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.877 -2.938 9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.072 -1.826 8.488 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.762 -1.395 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.828 -1.406 10.899 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.853 -0.218 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.090 0.137 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.704 0.657 10.622 1.00 0.00 H new ATOM 468 N SER A 30 -9.651 -6.505 10.224 1.00 0.00 N ATOM 469 CA SER A 30 -9.208 -6.724 11.590 1.00 0.00 C ATOM 470 C SER A 30 -7.724 -7.101 11.605 1.00 0.00 C ATOM 471 O SER A 30 -6.952 -6.564 12.398 1.00 0.00 O ATOM 472 CB SER A 30 -10.038 -7.812 12.272 1.00 0.00 C ATOM 473 OG SER A 30 -9.803 -9.098 11.703 1.00 0.00 O ATOM 0 H SER A 30 -10.590 -6.848 10.021 1.00 0.00 H new ATOM 0 HA SER A 30 -9.347 -5.797 12.146 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.800 -7.837 13.335 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.097 -7.566 12.188 1.00 0.00 H new ATOM 0 HG SER A 30 -9.622 -9.004 10.744 1.00 0.00 H new ATOM 479 N ILE A 31 -7.371 -8.020 10.719 1.00 0.00 N ATOM 480 CA ILE A 31 -5.995 -8.474 10.620 1.00 0.00 C ATOM 481 C ILE A 31 -5.055 -7.277 10.783 1.00 0.00 C ATOM 482 O ILE A 31 -5.192 -6.277 10.081 1.00 0.00 O ATOM 483 CB ILE A 31 -5.779 -9.254 9.321 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.590 -10.552 9.320 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.290 -9.507 9.074 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.667 -11.149 7.914 1.00 0.00 C ATOM 0 H ILE A 31 -8.014 -8.463 10.063 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.766 -9.172 11.425 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.143 -8.646 8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.133 -11.271 10.000 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.596 -10.357 9.692 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.165 -10.063 8.145 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.766 -8.554 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.877 -10.085 9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.249 -12.070 7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.146 -10.437 7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.661 -11.366 7.555 1.00 0.00 H new ATOM 498 N GLN A 32 -4.120 -7.422 11.710 1.00 0.00 N ATOM 499 CA GLN A 32 -3.157 -6.365 11.973 1.00 0.00 C ATOM 500 C GLN A 32 -1.735 -6.930 11.965 1.00 0.00 C ATOM 501 O GLN A 32 -1.525 -8.098 12.288 1.00 0.00 O ATOM 502 CB GLN A 32 -3.461 -5.664 13.298 1.00 0.00 C ATOM 503 CG GLN A 32 -2.897 -4.242 13.308 1.00 0.00 C ATOM 504 CD GLN A 32 -1.776 -4.104 14.341 1.00 0.00 C ATOM 505 OE1 GLN A 32 -1.162 -5.071 14.760 1.00 0.00 O ATOM 506 NE2 GLN A 32 -1.545 -2.852 14.724 1.00 0.00 N ATOM 0 H GLN A 32 -4.008 -8.255 12.288 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.237 -5.621 11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.539 -5.633 13.458 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.033 -6.235 14.122 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.517 -3.991 12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.693 -3.533 13.533 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.097 -2.089 14.332 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.816 -2.655 15.409 1.00 0.00 H new ATOM 515 N ALA A 33 -0.795 -6.073 11.593 1.00 0.00 N ATOM 516 CA ALA A 33 0.602 -6.471 11.539 1.00 0.00 C ATOM 517 C ALA A 33 1.482 -5.222 11.471 1.00 0.00 C ATOM 518 O ALA A 33 1.092 -4.215 10.881 1.00 0.00 O ATOM 519 CB ALA A 33 0.820 -7.404 10.346 1.00 0.00 C ATOM 0 H ALA A 33 -0.973 -5.105 11.326 1.00 0.00 H new ATOM 0 HA ALA A 33 0.880 -7.020 12.438 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.867 -7.703 10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.194 -8.289 10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.554 -6.885 9.425 1.00 0.00 H new ATOM 525 N ASP A 34 2.652 -5.327 12.082 1.00 0.00 N ATOM 526 CA ASP A 34 3.591 -4.218 12.099 1.00 0.00 C ATOM 527 C ASP A 34 3.916 -3.810 10.660 1.00 0.00 C ATOM 528 O ASP A 34 3.793 -2.641 10.301 1.00 0.00 O ATOM 529 CB ASP A 34 4.899 -4.615 12.785 1.00 0.00 C ATOM 530 CG ASP A 34 5.803 -3.444 13.179 1.00 0.00 C ATOM 531 OD1 ASP A 34 5.610 -2.307 12.723 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.751 -3.740 14.001 1.00 0.00 O ATOM 0 H ASP A 34 2.972 -6.164 12.570 1.00 0.00 H new ATOM 0 HA ASP A 34 3.132 -3.395 12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.662 -5.189 13.681 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.455 -5.276 12.120 1.00 0.00 H new ATOM 537 N GLY A 35 4.324 -4.797 9.876 1.00 0.00 N ATOM 538 CA GLY A 35 4.668 -4.556 8.486 1.00 0.00 C ATOM 539 C GLY A 35 3.438 -4.687 7.586 1.00 0.00 C ATOM 540 O GLY A 35 3.561 -4.995 6.401 1.00 0.00 O ATOM 0 H GLY A 35 4.424 -5.766 10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.095 -3.559 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.432 -5.265 8.169 1.00 0.00 H new ATOM 544 N LEU A 36 2.280 -4.447 8.182 1.00 0.00 N ATOM 545 CA LEU A 36 1.028 -4.534 7.450 1.00 0.00 C ATOM 546 C LEU A 36 0.302 -3.190 7.525 1.00 0.00 C ATOM 547 O LEU A 36 0.049 -2.677 8.615 1.00 0.00 O ATOM 548 CB LEU A 36 0.193 -5.713 7.955 1.00 0.00 C ATOM 549 CG LEU A 36 -0.993 -6.120 7.078 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.729 -7.459 6.387 1.00 0.00 C ATOM 551 CD2 LEU A 36 -2.292 -6.136 7.884 1.00 0.00 C ATOM 0 H LEU A 36 2.182 -4.192 9.165 1.00 0.00 H new ATOM 0 HA LEU A 36 1.217 -4.735 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.850 -6.576 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.183 -5.467 8.948 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.111 -5.371 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.587 -7.725 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.158 -7.376 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.569 -8.231 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.118 -6.428 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.203 -6.849 8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.482 -5.142 8.288 1.00 0.00 H new ATOM 563 N VAL A 37 -0.011 -2.655 6.354 1.00 0.00 N ATOM 564 CA VAL A 37 -0.703 -1.381 6.274 1.00 0.00 C ATOM 565 C VAL A 37 -1.952 -1.536 5.403 1.00 0.00 C ATOM 566 O VAL A 37 -1.863 -1.520 4.176 1.00 0.00 O ATOM 567 CB VAL A 37 0.251 -0.299 5.763 1.00 0.00 C ATOM 568 CG1 VAL A 37 -0.514 0.967 5.371 1.00 0.00 C ATOM 569 CG2 VAL A 37 1.333 0.012 6.799 1.00 0.00 C ATOM 0 H VAL A 37 0.202 -3.082 5.452 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.034 -1.064 7.263 1.00 0.00 H new ATOM 0 HB VAL A 37 0.744 -0.682 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.188 1.720 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.228 0.731 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.047 1.354 6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.997 0.784 6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.866 0.364 7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.908 -0.890 7.007 1.00 0.00 H new ATOM 579 N TRP A 38 -3.086 -1.682 6.072 1.00 0.00 N ATOM 580 CA TRP A 38 -4.350 -1.841 5.374 1.00 0.00 C ATOM 581 C TRP A 38 -4.647 -0.537 4.632 1.00 0.00 C ATOM 582 O TRP A 38 -4.402 0.549 5.154 1.00 0.00 O ATOM 583 CB TRP A 38 -5.464 -2.243 6.344 1.00 0.00 C ATOM 584 CG TRP A 38 -5.580 -3.751 6.568 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.631 -4.412 7.733 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.657 -4.769 5.547 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.735 -5.774 7.539 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.750 -5.998 6.167 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.647 -4.654 4.145 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.843 -7.207 5.465 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.739 -5.871 3.458 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.834 -7.116 4.068 1.00 0.00 C ATOM 0 H TRP A 38 -3.156 -1.694 7.090 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.290 -2.650 4.646 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.289 -1.756 7.303 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.415 -1.868 5.965 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.595 -3.938 8.703 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.791 -6.485 8.268 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.574 -3.703 3.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.918 -8.157 5.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.736 -5.840 2.378 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.901 -8.010 3.466 1.00 0.00 H new ATOM 603 N GLY A 39 -5.170 -0.687 3.423 1.00 0.00 N ATOM 604 CA GLY A 39 -5.503 0.465 2.603 1.00 0.00 C ATOM 605 C GLY A 39 -7.017 0.681 2.550 1.00 0.00 C ATOM 606 O GLY A 39 -7.587 1.323 3.430 1.00 0.00 O ATOM 0 H GLY A 39 -5.371 -1.589 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.019 1.355 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.117 0.321 1.594 1.00 0.00 H new ATOM 610 N SER A 40 -7.624 0.134 1.507 1.00 0.00 N ATOM 611 CA SER A 40 -9.060 0.258 1.327 1.00 0.00 C ATOM 612 C SER A 40 -9.598 -0.947 0.553 1.00 0.00 C ATOM 613 O SER A 40 -9.015 -1.354 -0.451 1.00 0.00 O ATOM 614 CB SER A 40 -9.413 1.557 0.600 1.00 0.00 C ATOM 615 OG SER A 40 -10.168 2.443 1.424 1.00 0.00 O ATOM 0 H SER A 40 -7.147 -0.396 0.778 1.00 0.00 H new ATOM 0 HA SER A 40 -9.527 0.285 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.497 2.053 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.983 1.325 -0.300 1.00 0.00 H new ATOM 0 HG SER A 40 -10.372 3.261 0.924 1.00 0.00 H new ATOM 621 N SER A 41 -10.703 -1.483 1.047 1.00 0.00 N ATOM 622 CA SER A 41 -11.326 -2.633 0.414 1.00 0.00 C ATOM 623 C SER A 41 -12.475 -2.175 -0.487 1.00 0.00 C ATOM 624 O SER A 41 -13.019 -1.089 -0.302 1.00 0.00 O ATOM 625 CB SER A 41 -11.835 -3.629 1.459 1.00 0.00 C ATOM 626 OG SER A 41 -12.799 -3.044 2.330 1.00 0.00 O ATOM 0 H SER A 41 -11.184 -1.142 1.879 1.00 0.00 H new ATOM 0 HA SER A 41 -10.575 -3.138 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.276 -4.489 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.995 -4.000 2.046 1.00 0.00 H new ATOM 0 HG SER A 41 -13.100 -3.712 2.981 1.00 0.00 H new ATOM 632 N LYS A 42 -12.810 -3.030 -1.444 1.00 0.00 N ATOM 633 CA LYS A 42 -13.883 -2.727 -2.374 1.00 0.00 C ATOM 634 C LYS A 42 -14.779 -3.957 -2.530 1.00 0.00 C ATOM 635 O LYS A 42 -14.388 -5.065 -2.164 1.00 0.00 O ATOM 636 CB LYS A 42 -13.316 -2.208 -3.698 1.00 0.00 C ATOM 637 CG LYS A 42 -11.989 -2.891 -4.030 1.00 0.00 C ATOM 638 CD LYS A 42 -11.867 -3.149 -5.533 1.00 0.00 C ATOM 639 CE LYS A 42 -11.556 -1.855 -6.287 1.00 0.00 C ATOM 640 NZ LYS A 42 -11.561 -2.093 -7.749 1.00 0.00 N ATOM 0 H LYS A 42 -12.357 -3.931 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.508 -1.923 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.032 -2.387 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.169 -1.130 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.161 -2.266 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.916 -3.834 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.080 -3.880 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.796 -3.579 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.294 -1.093 -6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.583 -1.472 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.348 -1.205 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.841 -2.804 -7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.498 -2.437 -8.041 1.00 0.00 H new ATOM 654 N LEU A 43 -15.964 -3.722 -3.075 1.00 0.00 N ATOM 655 CA LEU A 43 -16.918 -4.797 -3.284 1.00 0.00 C ATOM 656 C LEU A 43 -17.266 -4.884 -4.771 1.00 0.00 C ATOM 657 O LEU A 43 -17.075 -3.922 -5.513 1.00 0.00 O ATOM 658 CB LEU A 43 -18.137 -4.617 -2.376 1.00 0.00 C ATOM 659 CG LEU A 43 -18.106 -5.380 -1.051 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.876 -6.874 -1.285 1.00 0.00 C ATOM 661 CD2 LEU A 43 -17.069 -4.783 -0.098 1.00 0.00 C ATOM 0 H LEU A 43 -16.285 -2.802 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.479 -5.754 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -18.249 -3.555 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.025 -4.924 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.080 -5.274 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.858 -7.394 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.682 -7.274 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.924 -7.020 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.068 -5.344 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.081 -4.837 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.318 -3.741 0.105 1.00 0.00 H new ATOM 673 N VAL A 44 -17.771 -6.044 -5.162 1.00 0.00 N ATOM 674 CA VAL A 44 -18.147 -6.268 -6.547 1.00 0.00 C ATOM 675 C VAL A 44 -19.215 -7.362 -6.611 1.00 0.00 C ATOM 676 O VAL A 44 -18.896 -8.549 -6.558 1.00 0.00 O ATOM 677 CB VAL A 44 -16.907 -6.594 -7.381 1.00 0.00 C ATOM 678 CG1 VAL A 44 -17.296 -7.064 -8.784 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.960 -5.394 -7.447 1.00 0.00 C ATOM 0 H VAL A 44 -17.929 -6.840 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.581 -5.364 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 44 -16.379 -7.411 -6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.395 -7.289 -9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.912 -7.960 -8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.858 -6.278 -9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -15.087 -5.652 -8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.475 -4.549 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.643 -5.125 -6.439 1.00 0.00 H new ATOM 689 N PRO A 45 -20.492 -6.912 -6.727 1.00 0.00 N ATOM 690 CA PRO A 45 -21.609 -7.839 -6.799 1.00 0.00 C ATOM 691 C PRO A 45 -21.682 -8.506 -8.175 1.00 0.00 C ATOM 692 O PRO A 45 -21.526 -7.841 -9.198 1.00 0.00 O ATOM 693 CB PRO A 45 -22.837 -7.003 -6.478 1.00 0.00 C ATOM 694 CG PRO A 45 -22.424 -5.557 -6.696 1.00 0.00 C ATOM 695 CD PRO A 45 -20.908 -5.514 -6.794 1.00 0.00 C ATOM 0 HA PRO A 45 -21.513 -8.667 -6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.673 -7.272 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -23.163 -7.166 -5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.876 -5.164 -7.606 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.771 -4.933 -5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.585 -5.049 -7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.475 -4.933 -5.980 1.00 0.00 H new ATOM 703 N VAL A 46 -21.918 -9.809 -8.154 1.00 0.00 N ATOM 704 CA VAL A 46 -22.013 -10.571 -9.387 1.00 0.00 C ATOM 705 C VAL A 46 -23.470 -10.598 -9.854 1.00 0.00 C ATOM 706 O VAL A 46 -23.741 -10.631 -11.053 1.00 0.00 O ATOM 707 CB VAL A 46 -21.424 -11.969 -9.185 1.00 0.00 C ATOM 708 CG1 VAL A 46 -22.307 -12.806 -8.257 1.00 0.00 C ATOM 709 CG2 VAL A 46 -21.214 -12.675 -10.526 1.00 0.00 C ATOM 0 H VAL A 46 -22.046 -10.356 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.428 -10.097 -10.175 1.00 0.00 H new ATOM 0 HB VAL A 46 -20.449 -11.857 -8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.866 -13.795 -8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.383 -12.315 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -23.301 -12.905 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.795 -13.666 -10.354 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -22.170 -12.770 -11.041 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -20.527 -12.092 -11.140 1.00 0.00 H new ATOM 719 N GLY A 47 -24.370 -10.584 -8.882 1.00 0.00 N ATOM 720 CA GLY A 47 -25.792 -10.607 -9.178 1.00 0.00 C ATOM 721 C GLY A 47 -26.592 -9.899 -8.082 1.00 0.00 C ATOM 722 O GLY A 47 -27.262 -8.901 -8.344 1.00 0.00 O ATOM 0 H GLY A 47 -24.142 -10.557 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.975 -10.123 -10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -26.131 -11.639 -9.272 1.00 0.00 H new ATOM 726 N TYR A 48 -26.496 -10.443 -6.878 1.00 0.00 N ATOM 727 CA TYR A 48 -27.201 -9.878 -5.742 1.00 0.00 C ATOM 728 C TYR A 48 -27.024 -10.749 -4.497 1.00 0.00 C ATOM 729 O TYR A 48 -26.962 -10.236 -3.380 1.00 0.00 O ATOM 730 CB TYR A 48 -28.681 -9.860 -6.131 1.00 0.00 C ATOM 731 CG TYR A 48 -29.258 -8.456 -6.323 1.00 0.00 C ATOM 732 CD1 TYR A 48 -29.100 -7.504 -5.336 1.00 0.00 C ATOM 733 CD2 TYR A 48 -29.936 -8.142 -7.483 1.00 0.00 C ATOM 734 CE1 TYR A 48 -29.642 -6.183 -5.517 1.00 0.00 C ATOM 735 CE2 TYR A 48 -30.479 -6.820 -7.664 1.00 0.00 C ATOM 736 CZ TYR A 48 -30.305 -5.906 -6.672 1.00 0.00 C ATOM 737 OH TYR A 48 -30.817 -4.658 -6.842 1.00 0.00 O ATOM 0 H TYR A 48 -25.939 -11.271 -6.665 1.00 0.00 H new ATOM 0 HA TYR A 48 -26.817 -8.885 -5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -28.810 -10.424 -7.055 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -29.255 -10.375 -5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -28.570 -7.750 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -30.060 -8.887 -8.255 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -29.525 -5.429 -4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -31.012 -6.561 -8.567 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.263 -4.603 -7.713 1.00 0.00 H new ATOM 747 N GLY A 49 -26.946 -12.050 -4.731 1.00 0.00 N ATOM 748 CA GLY A 49 -26.777 -12.997 -3.642 1.00 0.00 C ATOM 749 C GLY A 49 -25.314 -13.071 -3.202 1.00 0.00 C ATOM 750 O GLY A 49 -24.998 -12.820 -2.040 1.00 0.00 O ATOM 0 H GLY A 49 -26.997 -12.471 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.400 -12.701 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.116 -13.984 -3.958 1.00 0.00 H new ATOM 754 N ILE A 50 -24.459 -13.416 -4.154 1.00 0.00 N ATOM 755 CA ILE A 50 -23.036 -13.526 -3.879 1.00 0.00 C ATOM 756 C ILE A 50 -22.356 -12.193 -4.198 1.00 0.00 C ATOM 757 O ILE A 50 -22.908 -11.368 -4.924 1.00 0.00 O ATOM 758 CB ILE A 50 -22.437 -14.718 -4.629 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.912 -16.041 -4.024 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.910 -14.623 -4.675 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.870 -16.764 -4.973 1.00 0.00 C ATOM 0 H ILE A 50 -24.724 -13.623 -5.117 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.865 -13.726 -2.821 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.793 -14.690 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.053 -16.678 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.410 -15.852 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.508 -15.481 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.618 -13.705 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.515 -14.614 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.193 -17.701 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.739 -16.134 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.361 -16.973 -5.914 1.00 0.00 H new ATOM 773 N LYS A 51 -21.167 -12.024 -3.639 1.00 0.00 N ATOM 774 CA LYS A 51 -20.404 -10.806 -3.854 1.00 0.00 C ATOM 775 C LYS A 51 -18.910 -11.130 -3.811 1.00 0.00 C ATOM 776 O LYS A 51 -18.510 -12.161 -3.272 1.00 0.00 O ATOM 777 CB LYS A 51 -20.829 -9.726 -2.857 1.00 0.00 C ATOM 778 CG LYS A 51 -21.886 -8.802 -3.467 1.00 0.00 C ATOM 779 CD LYS A 51 -22.572 -7.965 -2.384 1.00 0.00 C ATOM 780 CE LYS A 51 -23.772 -8.710 -1.795 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.302 -7.988 -0.617 1.00 0.00 N ATOM 0 H LYS A 51 -20.713 -12.711 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.612 -10.395 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.226 -10.194 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.960 -9.141 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.420 -8.144 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.630 -9.395 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.859 -7.733 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.900 -7.015 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.552 -8.809 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.476 -9.719 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.116 -8.507 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.560 -7.915 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.603 -7.034 -0.901 1.00 0.00 H new ATOM 795 N LYS A 52 -18.125 -10.229 -4.384 1.00 0.00 N ATOM 796 CA LYS A 52 -16.683 -10.407 -4.417 1.00 0.00 C ATOM 797 C LYS A 52 -16.074 -9.845 -3.131 1.00 0.00 C ATOM 798 O LYS A 52 -16.545 -8.836 -2.606 1.00 0.00 O ATOM 799 CB LYS A 52 -16.098 -9.797 -5.692 1.00 0.00 C ATOM 800 CG LYS A 52 -15.274 -10.828 -6.466 1.00 0.00 C ATOM 801 CD LYS A 52 -14.668 -10.212 -7.728 1.00 0.00 C ATOM 802 CE LYS A 52 -14.401 -11.282 -8.788 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.546 -10.714 -10.147 1.00 0.00 N ATOM 0 H LYS A 52 -18.460 -9.374 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.431 -11.467 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.904 -9.423 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.471 -8.943 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.479 -11.216 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.906 -11.674 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.345 -9.458 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.737 -9.703 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.396 -11.685 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.096 -12.112 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.361 -11.454 -10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.513 -10.351 -10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.866 -9.937 -10.273 1.00 0.00 H new ATOM 817 N LEU A 53 -15.038 -10.522 -2.660 1.00 0.00 N ATOM 818 CA LEU A 53 -14.360 -10.103 -1.444 1.00 0.00 C ATOM 819 C LEU A 53 -12.946 -9.633 -1.791 1.00 0.00 C ATOM 820 O LEU A 53 -11.971 -10.329 -1.514 1.00 0.00 O ATOM 821 CB LEU A 53 -14.398 -11.217 -0.398 1.00 0.00 C ATOM 822 CG LEU A 53 -15.087 -10.872 0.925 1.00 0.00 C ATOM 823 CD1 LEU A 53 -14.139 -10.113 1.854 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.388 -10.105 0.681 1.00 0.00 C ATOM 0 H LEU A 53 -14.651 -11.358 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.877 -9.256 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.902 -12.080 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.374 -11.521 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.352 -11.803 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.653 -9.880 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.265 -10.730 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.822 -9.188 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.858 -9.872 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.170 -9.179 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -17.064 -10.717 0.084 1.00 0.00 H new ATOM 836 N GLN A 54 -12.879 -8.454 -2.393 1.00 0.00 N ATOM 837 CA GLN A 54 -11.600 -7.882 -2.780 1.00 0.00 C ATOM 838 C GLN A 54 -11.165 -6.820 -1.768 1.00 0.00 C ATOM 839 O GLN A 54 -11.992 -6.058 -1.270 1.00 0.00 O ATOM 840 CB GLN A 54 -11.666 -7.300 -4.193 1.00 0.00 C ATOM 841 CG GLN A 54 -10.462 -6.397 -4.470 1.00 0.00 C ATOM 842 CD GLN A 54 -10.005 -6.522 -5.925 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.335 -5.713 -6.778 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.231 -7.576 -6.161 1.00 0.00 N ATOM 0 H GLN A 54 -13.690 -7.879 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.854 -8.677 -2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.694 -8.109 -4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.588 -6.731 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.723 -5.361 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.642 -6.664 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.993 -8.214 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.875 -7.747 -7.101 1.00 0.00 H new ATOM 853 N ILE A 55 -9.869 -6.804 -1.496 1.00 0.00 N ATOM 854 CA ILE A 55 -9.315 -5.848 -0.553 1.00 0.00 C ATOM 855 C ILE A 55 -7.872 -5.524 -0.950 1.00 0.00 C ATOM 856 O ILE A 55 -7.224 -6.309 -1.641 1.00 0.00 O ATOM 857 CB ILE A 55 -9.456 -6.365 0.880 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.112 -6.852 1.424 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.536 -7.445 0.969 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.687 -8.157 0.747 1.00 0.00 C ATOM 0 H ILE A 55 -9.186 -7.438 -1.912 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.874 -4.913 -0.587 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.776 -5.536 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.351 -6.089 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.185 -7.004 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.616 -7.796 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.493 -7.030 0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.270 -8.280 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.728 -8.481 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.438 -8.925 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.591 -7.996 -0.327 1.00 0.00 H new ATOM 872 N GLN A 56 -7.413 -4.368 -0.495 1.00 0.00 N ATOM 873 CA GLN A 56 -6.060 -3.930 -0.795 1.00 0.00 C ATOM 874 C GLN A 56 -5.280 -3.695 0.500 1.00 0.00 C ATOM 875 O GLN A 56 -5.836 -3.211 1.485 1.00 0.00 O ATOM 876 CB GLN A 56 -6.070 -2.672 -1.665 1.00 0.00 C ATOM 877 CG GLN A 56 -4.646 -2.247 -2.031 1.00 0.00 C ATOM 878 CD GLN A 56 -4.085 -3.120 -3.156 1.00 0.00 C ATOM 879 OE1 GLN A 56 -3.586 -4.211 -2.941 1.00 0.00 O ATOM 880 NE2 GLN A 56 -4.196 -2.579 -4.367 1.00 0.00 N ATOM 0 H GLN A 56 -7.953 -3.721 0.079 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.561 -4.717 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.643 -2.858 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.570 -1.862 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.643 -1.202 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.004 -2.321 -1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.625 -1.660 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.852 -3.083 -5.184 1.00 0.00 H new ATOM 889 N CYS A 57 -4.003 -4.048 0.457 1.00 0.00 N ATOM 890 CA CYS A 57 -3.142 -3.881 1.616 1.00 0.00 C ATOM 891 C CYS A 57 -1.845 -3.210 1.156 1.00 0.00 C ATOM 892 O CYS A 57 -1.739 -2.775 0.010 1.00 0.00 O ATOM 893 CB CYS A 57 -2.876 -5.212 2.320 1.00 0.00 C ATOM 894 SG CYS A 57 -2.735 -4.948 4.125 1.00 0.00 S ATOM 0 H CYS A 57 -3.544 -4.448 -0.361 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.637 -3.249 2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.684 -5.912 2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.959 -5.659 1.937 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.915 -4.729 4.625 1.00 0.00 H new ATOM 900 N VAL A 58 -0.892 -3.148 2.074 1.00 0.00 N ATOM 901 CA VAL A 58 0.393 -2.537 1.777 1.00 0.00 C ATOM 902 C VAL A 58 1.474 -3.190 2.640 1.00 0.00 C ATOM 903 O VAL A 58 1.894 -2.627 3.649 1.00 0.00 O ATOM 904 CB VAL A 58 0.309 -1.021 1.970 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.667 -0.362 1.721 1.00 0.00 C ATOM 906 CG2 VAL A 58 -0.769 -0.414 1.072 1.00 0.00 C ATOM 0 H VAL A 58 -0.983 -3.510 3.023 1.00 0.00 H new ATOM 0 HA VAL A 58 0.664 -2.704 0.734 1.00 0.00 H new ATOM 0 HB VAL A 58 0.028 -0.829 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.581 0.715 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.400 -0.764 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.989 -0.567 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.808 0.664 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.532 -0.621 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.736 -0.852 1.318 1.00 0.00 H new ATOM 916 N VAL A 59 1.896 -4.371 2.210 1.00 0.00 N ATOM 917 CA VAL A 59 2.921 -5.108 2.931 1.00 0.00 C ATOM 918 C VAL A 59 4.300 -4.614 2.492 1.00 0.00 C ATOM 919 O VAL A 59 4.410 -3.789 1.587 1.00 0.00 O ATOM 920 CB VAL A 59 2.728 -6.611 2.722 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.252 -6.997 2.832 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.313 -7.057 1.380 1.00 0.00 C ATOM 0 H VAL A 59 1.547 -4.835 1.372 1.00 0.00 H new ATOM 0 HA VAL A 59 2.839 -4.930 4.003 1.00 0.00 H new ATOM 0 HB VAL A 59 3.268 -7.130 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.144 -8.071 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.879 -6.732 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.679 -6.463 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.163 -8.129 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.814 -6.525 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.380 -6.835 1.356 1.00 0.00 H new ATOM 932 N GLU A 60 5.321 -5.141 3.155 1.00 0.00 N ATOM 933 CA GLU A 60 6.689 -4.764 2.845 1.00 0.00 C ATOM 934 C GLU A 60 7.216 -5.597 1.674 1.00 0.00 C ATOM 935 O GLU A 60 6.549 -6.523 1.217 1.00 0.00 O ATOM 936 CB GLU A 60 7.589 -4.913 4.073 1.00 0.00 C ATOM 937 CG GLU A 60 8.258 -3.583 4.426 1.00 0.00 C ATOM 938 CD GLU A 60 9.759 -3.627 4.133 1.00 0.00 C ATOM 939 OE1 GLU A 60 10.210 -4.462 3.334 1.00 0.00 O ATOM 940 OE2 GLU A 60 10.465 -2.754 4.769 1.00 0.00 O ATOM 0 H GLU A 60 5.227 -5.826 3.905 1.00 0.00 H new ATOM 0 HA GLU A 60 6.700 -3.714 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.000 -5.264 4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.351 -5.668 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.796 -2.777 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.097 -3.360 5.481 1.00 0.00 H new ATOM 947 N ASP A 61 8.408 -5.236 1.223 1.00 0.00 N ATOM 948 CA ASP A 61 9.032 -5.938 0.114 1.00 0.00 C ATOM 949 C ASP A 61 10.129 -6.861 0.653 1.00 0.00 C ATOM 950 O ASP A 61 10.840 -7.501 -0.119 1.00 0.00 O ATOM 951 CB ASP A 61 9.680 -4.956 -0.865 1.00 0.00 C ATOM 952 CG ASP A 61 9.869 -5.491 -2.286 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.688 -6.390 -2.526 1.00 0.00 O ATOM 954 OD2 ASP A 61 9.123 -4.937 -3.181 1.00 0.00 O ATOM 0 H ASP A 61 8.958 -4.467 1.605 1.00 0.00 H new ATOM 0 HA ASP A 61 8.259 -6.506 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.069 -4.055 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.653 -4.662 -0.471 1.00 0.00 H new ATOM 959 N ASP A 62 10.230 -6.899 1.973 1.00 0.00 N ATOM 960 CA ASP A 62 11.226 -7.732 2.624 1.00 0.00 C ATOM 961 C ASP A 62 10.817 -7.965 4.080 1.00 0.00 C ATOM 962 O ASP A 62 11.668 -8.203 4.937 1.00 0.00 O ATOM 963 CB ASP A 62 12.597 -7.054 2.621 1.00 0.00 C ATOM 964 CG ASP A 62 13.792 -8.012 2.625 1.00 0.00 C ATOM 965 OD1 ASP A 62 13.625 -9.239 2.646 1.00 0.00 O ATOM 966 OD2 ASP A 62 14.948 -7.440 2.607 1.00 0.00 O ATOM 0 H ASP A 62 9.638 -6.366 2.610 1.00 0.00 H new ATOM 0 HA ASP A 62 11.288 -8.673 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.667 -6.413 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.667 -6.406 3.494 1.00 0.00 H new ATOM 971 N LYS A 63 9.516 -7.889 4.315 1.00 0.00 N ATOM 972 CA LYS A 63 8.985 -8.089 5.653 1.00 0.00 C ATOM 973 C LYS A 63 7.803 -9.059 5.587 1.00 0.00 C ATOM 974 O LYS A 63 7.864 -10.155 6.142 1.00 0.00 O ATOM 975 CB LYS A 63 8.643 -6.746 6.300 1.00 0.00 C ATOM 976 CG LYS A 63 9.157 -6.684 7.740 1.00 0.00 C ATOM 977 CD LYS A 63 10.182 -5.561 7.909 1.00 0.00 C ATOM 978 CE LYS A 63 11.546 -5.975 7.355 1.00 0.00 C ATOM 979 NZ LYS A 63 12.451 -4.806 7.277 1.00 0.00 N ATOM 0 H LYS A 63 8.814 -7.692 3.602 1.00 0.00 H new ATOM 0 HA LYS A 63 9.737 -8.544 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.082 -5.936 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.563 -6.597 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.321 -6.524 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.610 -7.638 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.833 -4.665 7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.277 -5.306 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.987 -6.741 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.425 -6.415 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.373 -5.105 6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.036 -4.087 6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.581 -4.403 8.227 1.00 0.00 H new ATOM 993 N VAL A 64 6.756 -8.619 4.906 1.00 0.00 N ATOM 994 CA VAL A 64 5.561 -9.435 4.761 1.00 0.00 C ATOM 995 C VAL A 64 5.168 -9.498 3.284 1.00 0.00 C ATOM 996 O VAL A 64 5.284 -8.507 2.564 1.00 0.00 O ATOM 997 CB VAL A 64 4.445 -8.890 5.654 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.147 -9.674 5.448 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.865 -8.903 7.125 1.00 0.00 C ATOM 0 H VAL A 64 6.709 -7.709 4.448 1.00 0.00 H new ATOM 0 HA VAL A 64 5.753 -10.456 5.090 1.00 0.00 H new ATOM 0 HB VAL A 64 4.261 -7.855 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.369 -9.267 6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.834 -9.592 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.312 -10.723 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.054 -8.511 7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.089 -9.925 7.430 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.752 -8.283 7.256 1.00 0.00 H new ATOM 1009 N GLY A 65 4.711 -10.672 2.876 1.00 0.00 N ATOM 1010 CA GLY A 65 4.300 -10.877 1.498 1.00 0.00 C ATOM 1011 C GLY A 65 3.115 -11.842 1.417 1.00 0.00 C ATOM 1012 O GLY A 65 3.302 -13.048 1.254 1.00 0.00 O ATOM 0 H GLY A 65 4.616 -11.492 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.027 -9.922 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.136 -11.272 0.920 1.00 0.00 H new ATOM 1016 N THR A 66 1.923 -11.277 1.533 1.00 0.00 N ATOM 1017 CA THR A 66 0.708 -12.072 1.475 1.00 0.00 C ATOM 1018 C THR A 66 0.935 -13.440 2.123 1.00 0.00 C ATOM 1019 O THR A 66 0.484 -14.459 1.602 1.00 0.00 O ATOM 1020 CB THR A 66 0.268 -12.158 0.012 1.00 0.00 C ATOM 1021 OG1 THR A 66 0.186 -10.798 -0.405 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.160 -12.681 -0.140 1.00 0.00 C ATOM 0 H THR A 66 1.772 -10.277 1.667 1.00 0.00 H new ATOM 0 HA THR A 66 -0.097 -11.607 2.044 1.00 0.00 H new ATOM 0 HB THR A 66 0.952 -12.807 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.729 -10.599 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.422 -12.722 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.229 -13.680 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.849 -12.014 0.379 1.00 0.00 H new ATOM 1030 N ASP A 67 1.633 -13.417 3.249 1.00 0.00 N ATOM 1031 CA ASP A 67 1.924 -14.643 3.972 1.00 0.00 C ATOM 1032 C ASP A 67 0.963 -14.773 5.155 1.00 0.00 C ATOM 1033 O ASP A 67 0.207 -15.740 5.242 1.00 0.00 O ATOM 1034 CB ASP A 67 3.352 -14.632 4.522 1.00 0.00 C ATOM 1035 CG ASP A 67 3.814 -13.289 5.092 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.099 -12.280 5.010 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.979 -13.304 5.647 1.00 0.00 O ATOM 0 H ASP A 67 2.005 -12.570 3.678 1.00 0.00 H new ATOM 0 HA ASP A 67 1.810 -15.478 3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.430 -15.388 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.035 -14.926 3.725 1.00 0.00 H new ATOM 1042 N MET A 68 1.024 -13.787 6.037 1.00 0.00 N ATOM 1043 CA MET A 68 0.168 -13.778 7.211 1.00 0.00 C ATOM 1044 C MET A 68 -1.294 -13.550 6.823 1.00 0.00 C ATOM 1045 O MET A 68 -2.182 -14.263 7.285 1.00 0.00 O ATOM 1046 CB MET A 68 0.622 -12.672 8.166 1.00 0.00 C ATOM 1047 CG MET A 68 0.497 -13.121 9.624 1.00 0.00 C ATOM 1048 SD MET A 68 0.250 -11.703 10.680 1.00 0.00 S ATOM 1049 CE MET A 68 -1.289 -11.089 10.018 1.00 0.00 C ATOM 0 H MET A 68 1.653 -12.988 5.962 1.00 0.00 H new ATOM 0 HA MET A 68 0.246 -14.748 7.701 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.656 -12.404 7.952 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.021 -11.777 8.004 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.338 -13.813 9.730 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.396 -13.658 9.926 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.949 -10.803 10.837 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.094 -10.221 9.389 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.766 -11.868 9.423 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.499 -12.550 5.977 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.837 -12.219 5.520 1.00 0.00 C ATOM 1061 C LEU A 69 -3.514 -13.479 4.981 1.00 0.00 C ATOM 1062 O LEU A 69 -4.732 -13.626 5.081 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.790 -11.067 4.514 1.00 0.00 C ATOM 1064 CG LEU A 69 -2.490 -9.682 5.092 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -2.691 -8.593 4.037 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -3.319 -9.423 6.351 1.00 0.00 C ATOM 0 H LEU A 69 -0.760 -11.959 5.597 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.445 -11.861 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.034 -11.297 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.749 -11.023 3.997 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.441 -9.654 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.471 -7.619 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.021 -8.773 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.724 -8.610 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.087 -8.432 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.380 -9.477 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.082 -10.175 7.104 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.697 -14.358 4.420 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.203 -15.602 3.865 1.00 0.00 C ATOM 1080 C GLU A 70 -3.603 -16.561 4.988 1.00 0.00 C ATOM 1081 O GLU A 70 -4.763 -16.959 5.084 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.171 -16.247 2.937 1.00 0.00 C ATOM 1083 CG GLU A 70 -2.677 -17.589 2.402 1.00 0.00 C ATOM 1084 CD GLU A 70 -1.510 -18.495 2.003 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -0.880 -19.113 2.872 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -1.269 -18.545 0.736 1.00 0.00 O ATOM 0 H GLU A 70 -1.688 -14.234 4.338 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.089 -15.378 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.957 -15.577 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.235 -16.396 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.282 -18.083 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.323 -17.421 1.540 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.622 -16.904 5.808 1.00 0.00 N ATOM 1094 CA GLU A 71 -2.858 -17.809 6.922 1.00 0.00 C ATOM 1095 C GLU A 71 -3.906 -17.222 7.869 1.00 0.00 C ATOM 1096 O GLU A 71 -4.398 -17.912 8.760 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.556 -18.114 7.664 1.00 0.00 C ATOM 1098 CG GLU A 71 -0.902 -19.387 7.123 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.540 -20.344 8.261 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -1.537 -20.980 8.776 1.00 0.00 O ATOM 1101 OE2 GLU A 71 0.641 -20.460 8.621 1.00 0.00 O ATOM 0 H GLU A 71 -1.661 -16.572 5.724 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.241 -18.750 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.868 -17.275 7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.758 -18.229 8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.581 -19.882 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.004 -19.128 6.561 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.216 -15.953 7.644 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.197 -15.266 8.467 1.00 0.00 C ATOM 1110 C GLN A 72 -6.533 -15.166 7.730 1.00 0.00 C ATOM 1111 O GLN A 72 -7.572 -15.552 8.264 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.693 -13.880 8.878 1.00 0.00 C ATOM 1113 CG GLN A 72 -3.432 -13.988 9.737 1.00 0.00 C ATOM 1114 CD GLN A 72 -3.683 -13.459 11.151 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.862 -12.273 11.374 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -3.688 -14.402 12.088 1.00 0.00 N ATOM 0 H GLN A 72 -3.805 -15.383 6.904 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.349 -15.847 9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.481 -13.287 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.471 -13.356 9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.109 -15.028 9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.622 -13.425 9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.531 -15.377 11.831 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.849 -14.151 13.063 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.464 -14.647 6.512 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.655 -14.492 5.695 1.00 0.00 C ATOM 1127 C ILE A 73 -8.181 -15.875 5.301 1.00 0.00 C ATOM 1128 O ILE A 73 -9.363 -16.165 5.476 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.371 -13.578 4.502 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.910 -12.196 4.967 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.585 -13.496 3.573 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.141 -11.473 3.859 1.00 0.00 C ATOM 0 H ILE A 73 -5.601 -14.329 6.072 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.445 -14.000 6.262 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.554 -14.012 3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.774 -11.601 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.276 -12.297 5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.357 -12.840 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.826 -14.492 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.438 -13.098 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.825 -10.493 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.264 -12.059 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.786 -11.352 2.988 1.00 0.00 H new ATOM 1144 N THR A 74 -7.277 -16.688 4.776 1.00 0.00 N ATOM 1145 CA THR A 74 -7.635 -18.032 4.355 1.00 0.00 C ATOM 1146 C THR A 74 -7.734 -18.961 5.566 1.00 0.00 C ATOM 1147 O THR A 74 -7.941 -20.165 5.415 1.00 0.00 O ATOM 1148 CB THR A 74 -6.609 -18.492 3.318 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.513 -18.964 4.099 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.021 -17.327 2.519 1.00 0.00 C ATOM 0 H THR A 74 -6.297 -16.442 4.632 1.00 0.00 H new ATOM 0 HA THR A 74 -8.620 -18.051 3.889 1.00 0.00 H new ATOM 0 HB THR A 74 -7.077 -19.202 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.232 -18.264 4.725 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.299 -17.709 1.797 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.821 -16.807 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.524 -16.634 3.198 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.579 -18.369 6.741 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.648 -19.129 7.978 1.00 0.00 C ATOM 1160 C ALA A 75 -9.104 -19.503 8.261 1.00 0.00 C ATOM 1161 O ALA A 75 -9.384 -20.272 9.179 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.024 -18.314 9.113 1.00 0.00 C ATOM 0 H ALA A 75 -7.406 -17.371 6.863 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.081 -20.056 7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.076 -18.884 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.982 -18.099 8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.570 -17.378 9.231 1.00 0.00 H new ATOM 1168 N PHE A 76 -9.993 -18.941 7.455 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.414 -19.207 7.607 1.00 0.00 C ATOM 1170 C PHE A 76 -11.949 -20.021 6.427 1.00 0.00 C ATOM 1171 O PHE A 76 -12.568 -19.468 5.518 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.121 -17.851 7.639 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.585 -17.423 9.033 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.356 -18.259 9.779 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.224 -16.209 9.527 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.785 -17.862 11.073 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.654 -15.812 10.821 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.425 -16.647 11.567 1.00 0.00 C ATOM 0 H PHE A 76 -9.757 -18.303 6.695 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.590 -19.780 8.518 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.447 -17.092 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.985 -17.888 6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.642 -19.224 9.387 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.610 -15.546 8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.398 -18.525 11.665 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.368 -14.847 11.212 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.751 -16.346 12.551 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.691 -21.318 6.479 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.140 -22.213 5.424 1.00 0.00 C ATOM 1190 C GLU A 77 -13.648 -22.444 5.531 1.00 0.00 C ATOM 1191 O GLU A 77 -14.242 -23.099 4.675 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.377 -23.539 5.470 1.00 0.00 C ATOM 1193 CG GLU A 77 -10.536 -23.731 4.207 1.00 0.00 C ATOM 1194 CD GLU A 77 -10.292 -25.216 3.931 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -11.079 -26.066 4.373 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -9.242 -25.475 3.228 1.00 0.00 O ATOM 0 H GLU A 77 -11.177 -21.772 7.234 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.932 -21.744 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.731 -23.561 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.081 -24.365 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.044 -23.278 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.582 -23.217 4.320 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.226 -21.893 6.588 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.655 -22.031 6.817 1.00 0.00 C ATOM 1205 C ASP A 78 -16.381 -20.825 6.218 1.00 0.00 C ATOM 1206 O ASP A 78 -17.531 -20.555 6.562 1.00 0.00 O ATOM 1207 CB ASP A 78 -15.970 -22.078 8.313 1.00 0.00 C ATOM 1208 CG ASP A 78 -16.972 -23.156 8.729 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -16.605 -24.321 8.942 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -18.193 -22.754 8.833 1.00 0.00 O ATOM 0 H ASP A 78 -13.731 -21.350 7.296 1.00 0.00 H new ATOM 0 HA ASP A 78 -15.984 -22.959 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.041 -22.237 8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.357 -21.106 8.618 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.681 -20.132 5.332 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.244 -18.961 4.683 1.00 0.00 C ATOM 1217 C TYR A 79 -15.571 -18.705 3.333 1.00 0.00 C ATOM 1218 O TYR A 79 -16.242 -18.413 2.344 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.958 -17.782 5.615 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.894 -17.701 6.822 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -18.101 -17.043 6.717 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -16.529 -18.288 8.017 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -18.981 -16.967 7.853 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -17.410 -18.213 9.154 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.592 -17.556 9.016 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.424 -17.484 10.090 1.00 0.00 O ATOM 0 H TYR A 79 -14.728 -20.360 5.048 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.310 -19.099 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.930 -17.854 5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -16.035 -16.856 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.386 -16.584 5.782 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -15.583 -18.803 8.099 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -19.929 -16.454 7.784 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -17.138 -18.668 10.095 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.017 -17.949 10.851 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.251 -18.825 3.335 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.479 -18.609 2.123 1.00 0.00 C ATOM 1238 C VAL A 80 -13.453 -19.901 1.304 1.00 0.00 C ATOM 1239 O VAL A 80 -13.167 -20.972 1.836 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.080 -18.097 2.477 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.181 -18.057 1.240 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -12.152 -16.725 3.149 1.00 0.00 C ATOM 0 H VAL A 80 -13.697 -19.069 4.156 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.945 -17.841 1.505 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.638 -18.795 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.194 -17.690 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.090 -19.060 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.617 -17.393 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.145 -16.385 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.624 -16.013 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.739 -16.799 4.065 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.756 -19.757 0.022 1.00 0.00 N ATOM 1253 CA GLN A 81 -13.771 -20.899 -0.876 1.00 0.00 C ATOM 1254 C GLN A 81 -12.364 -21.173 -1.410 1.00 0.00 C ATOM 1255 O GLN A 81 -11.982 -22.327 -1.601 1.00 0.00 O ATOM 1256 CB GLN A 81 -14.760 -20.682 -2.023 1.00 0.00 C ATOM 1257 CG GLN A 81 -14.943 -21.962 -2.840 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.450 -21.647 -4.248 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -14.690 -21.381 -5.165 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -16.773 -21.690 -4.368 1.00 0.00 N ATOM 0 H GLN A 81 -13.993 -18.867 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.102 -21.773 -0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.722 -20.362 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.402 -19.882 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.995 -22.496 -2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.648 -22.622 -2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.351 -21.919 -3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.210 -21.494 -5.268 1.00 0.00 H new ATOM 1269 N SER A 82 -11.631 -20.093 -1.638 1.00 0.00 N ATOM 1270 CA SER A 82 -10.274 -20.202 -2.146 1.00 0.00 C ATOM 1271 C SER A 82 -9.728 -18.813 -2.482 1.00 0.00 C ATOM 1272 O SER A 82 -10.202 -18.163 -3.413 1.00 0.00 O ATOM 1273 CB SER A 82 -10.220 -21.106 -3.380 1.00 0.00 C ATOM 1274 OG SER A 82 -11.210 -20.755 -4.343 1.00 0.00 O ATOM 0 H SER A 82 -11.952 -19.138 -1.480 1.00 0.00 H new ATOM 0 HA SER A 82 -9.653 -20.652 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.232 -21.039 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.362 -22.143 -3.076 1.00 0.00 H new ATOM 0 HG SER A 82 -11.278 -19.779 -4.401 1.00 0.00 H new ATOM 1280 N MET A 83 -8.738 -18.398 -1.705 1.00 0.00 N ATOM 1281 CA MET A 83 -8.122 -17.097 -1.909 1.00 0.00 C ATOM 1282 C MET A 83 -7.110 -17.143 -3.056 1.00 0.00 C ATOM 1283 O MET A 83 -6.487 -18.176 -3.298 1.00 0.00 O ATOM 1284 CB MET A 83 -7.417 -16.660 -0.623 1.00 0.00 C ATOM 1285 CG MET A 83 -6.648 -15.354 -0.837 1.00 0.00 C ATOM 1286 SD MET A 83 -5.556 -15.057 0.543 1.00 0.00 S ATOM 1287 CE MET A 83 -3.980 -15.351 -0.239 1.00 0.00 C ATOM 0 H MET A 83 -8.347 -18.939 -0.934 1.00 0.00 H new ATOM 0 HA MET A 83 -8.903 -16.382 -2.168 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.151 -16.528 0.172 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.731 -17.441 -0.297 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.073 -15.408 -1.761 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.347 -14.524 -0.944 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.180 -14.989 0.407 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.853 -16.420 -0.410 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.943 -14.824 -1.192 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.978 -16.011 -3.731 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.054 -15.909 -4.847 1.00 0.00 C ATOM 1299 C ASP A 84 -5.428 -14.513 -4.859 1.00 0.00 C ATOM 1300 O ASP A 84 -5.676 -13.710 -3.961 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.774 -16.116 -6.180 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.024 -17.577 -6.560 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -6.165 -18.237 -7.164 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -8.174 -18.043 -6.205 1.00 0.00 O ATOM 0 H ASP A 84 -7.496 -15.156 -3.526 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.293 -16.680 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.732 -15.597 -6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.187 -15.646 -6.969 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.631 -14.265 -5.887 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.968 -12.980 -6.028 1.00 0.00 C ATOM 1311 C VAL A 85 -4.512 -12.264 -7.267 1.00 0.00 C ATOM 1312 O VAL A 85 -4.505 -12.821 -8.363 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.451 -13.175 -6.070 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.006 -13.737 -7.421 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.721 -11.868 -5.752 1.00 0.00 C ATOM 0 H VAL A 85 -4.429 -14.933 -6.631 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.177 -12.346 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.186 -13.902 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.924 -13.866 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.486 -14.701 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.291 -13.046 -8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.644 -12.034 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.996 -11.110 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.002 -11.528 -4.755 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.969 -11.040 -7.049 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.516 -10.242 -8.133 1.00 0.00 C ATOM 1327 C ALA A 86 -4.380 -9.485 -8.826 1.00 0.00 C ATOM 1328 O ALA A 86 -4.525 -9.054 -9.969 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.592 -9.303 -7.584 1.00 0.00 C ATOM 0 H ALA A 86 -4.972 -10.581 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.990 -10.881 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.002 -8.704 -8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.389 -9.890 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.152 -8.644 -6.835 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.279 -9.346 -8.105 1.00 0.00 N ATOM 1336 CA ALA A 87 -2.119 -8.650 -8.636 1.00 0.00 C ATOM 1337 C ALA A 87 -0.984 -8.701 -7.612 1.00 0.00 C ATOM 1338 O ALA A 87 -1.208 -9.033 -6.448 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.509 -7.215 -9.001 1.00 0.00 C ATOM 0 H ALA A 87 -3.165 -9.703 -7.157 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.764 -9.135 -9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.640 -6.692 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.298 -7.232 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.867 -6.698 -8.111 1.00 0.00 H new ATOM 1345 N PHE A 88 0.210 -8.371 -8.081 1.00 0.00 N ATOM 1346 CA PHE A 88 1.380 -8.376 -7.220 1.00 0.00 C ATOM 1347 C PHE A 88 2.442 -7.401 -7.733 1.00 0.00 C ATOM 1348 O PHE A 88 3.321 -7.784 -8.503 1.00 0.00 O ATOM 1349 CB PHE A 88 1.951 -9.796 -7.251 1.00 0.00 C ATOM 1350 CG PHE A 88 2.363 -10.329 -5.877 1.00 0.00 C ATOM 1351 CD1 PHE A 88 3.060 -9.537 -5.020 1.00 0.00 C ATOM 1352 CD2 PHE A 88 2.031 -11.598 -5.514 1.00 0.00 C ATOM 1353 CE1 PHE A 88 3.441 -10.032 -3.745 1.00 0.00 C ATOM 1354 CE2 PHE A 88 2.414 -12.094 -4.239 1.00 0.00 C ATOM 1355 CZ PHE A 88 3.111 -11.300 -3.382 1.00 0.00 C ATOM 0 H PHE A 88 0.392 -8.098 -9.047 1.00 0.00 H new ATOM 0 HA PHE A 88 1.102 -8.071 -6.211 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.208 -10.467 -7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.818 -9.814 -7.912 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.324 -8.531 -5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.477 -12.227 -6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.993 -9.401 -3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.152 -13.101 -3.950 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.402 -11.677 -2.413 1.00 0.00 H new ATOM 1365 N ASN A 89 2.325 -6.160 -7.286 1.00 0.00 N ATOM 1366 CA ASN A 89 3.264 -5.126 -7.690 1.00 0.00 C ATOM 1367 C ASN A 89 3.532 -4.196 -6.505 1.00 0.00 C ATOM 1368 O ASN A 89 2.881 -4.302 -5.468 1.00 0.00 O ATOM 1369 CB ASN A 89 2.697 -4.285 -8.834 1.00 0.00 C ATOM 1370 CG ASN A 89 3.079 -4.877 -10.193 1.00 0.00 C ATOM 1371 OD1 ASN A 89 2.263 -5.434 -10.908 1.00 0.00 O ATOM 1372 ND2 ASN A 89 4.362 -4.727 -10.506 1.00 0.00 N ATOM 0 H ASN A 89 1.594 -5.846 -6.648 1.00 0.00 H new ATOM 0 HA ASN A 89 4.181 -5.613 -8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.612 -4.233 -8.748 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.072 -3.264 -8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.717 -5.089 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.992 -4.250 -9.861 1.00 0.00 H new ATOM 1379 N LYS A 90 4.492 -3.304 -6.700 1.00 0.00 N ATOM 1380 CA LYS A 90 4.854 -2.355 -5.661 1.00 0.00 C ATOM 1381 C LYS A 90 3.780 -1.270 -5.571 1.00 0.00 C ATOM 1382 O LYS A 90 2.948 -1.098 -6.461 1.00 0.00 O ATOM 1383 CB LYS A 90 6.262 -1.808 -5.903 1.00 0.00 C ATOM 1384 CG LYS A 90 6.696 -0.886 -4.760 1.00 0.00 C ATOM 1385 CD LYS A 90 8.147 -1.156 -4.359 1.00 0.00 C ATOM 1386 CE LYS A 90 8.805 0.106 -3.798 1.00 0.00 C ATOM 1387 NZ LYS A 90 10.021 -0.241 -3.030 1.00 0.00 N ATOM 0 H LYS A 90 5.030 -3.218 -7.562 1.00 0.00 H new ATOM 0 HA LYS A 90 4.891 -2.849 -4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.966 -2.635 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.287 -1.261 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.587 0.154 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.043 -1.035 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.180 -1.950 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.708 -1.509 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.063 0.782 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.101 0.636 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.455 0.627 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.766 -0.868 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.698 -0.726 -3.653 1.00 0.00 H new ATOM 1401 N ILE A 91 3.817 -0.531 -4.460 1.00 0.00 N ATOM 1402 CA ILE A 91 2.870 0.540 -4.220 1.00 0.00 C ATOM 1403 C ILE A 91 3.575 1.886 -4.329 1.00 0.00 C ATOM 1404 O ILE A 91 4.775 1.981 -4.082 1.00 0.00 O ATOM 1405 CB ILE A 91 2.246 0.367 -2.839 1.00 0.00 C ATOM 1406 CG1 ILE A 91 1.281 1.518 -2.566 1.00 0.00 C ATOM 1407 CG2 ILE A 91 3.345 0.364 -1.781 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.049 0.960 -2.069 1.00 0.00 C ATOM 1409 OXT ILE A 91 2.950 2.890 -4.669 1.00 0.00 O ATOM 0 H ILE A 91 4.500 -0.662 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 91 2.078 0.505 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 91 1.703 -0.578 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.705 2.193 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.127 2.100 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.899 0.240 -0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.034 -0.459 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.888 1.308 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.738 1.782 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.474 0.302 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.113 0.397 -1.150 1.00 0.00 H new