USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 583 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 1.16 (180deg=0.83) USER MOD Single : A 15 GLN : amide:sc= -1.85! X(o=-1.9!,f=-1.8) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 20 THR OG1 : rot -39:sc= 0.166 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0.12 K(o=0.12,f=-4!) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.06) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 0.71 (180deg=0.394) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.835 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 1.59 K(o=1.6,f=-5.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.882 K(o=0.88,f=-0.42) USER MOD Single : A 52 SER OG : rot -125:sc= 0.262 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.292! C(o=-0.29!,f=-5.3!) USER MOD Single : A 65 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.41) USER MOD Single : A 66 LYS NZ :NH3+ -145:sc= 1.24 (180deg=0.551) USER MOD Single : A 68 GLN : amide:sc= 0.444 K(o=0.44,f=-0.12) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.225 USER MOD Single : A 70 GLN : amide:sc= -0.0849 K(o=-0.085,f=-1.4) USER MOD Single : A 74 ASN : amide:sc=-0.00157 X(o=-0.0016,f=-0.26) USER MOD Single : A 77 MET CE :methyl 149:sc= -0.168 (180deg=-0.5) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 179:sc= -0.0494 (180deg=-0.0549) USER MOD Single : A 81 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 10 9.223 14.954 -11.045 1.00 0.00 N ATOM 129 CA VAL A 10 9.219 15.727 -9.809 1.00 0.00 C ATOM 130 C VAL A 10 8.414 17.012 -9.976 1.00 0.00 C ATOM 131 O VAL A 10 8.238 17.504 -11.090 1.00 0.00 O ATOM 132 CB VAL A 10 10.651 16.037 -9.347 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.490 14.771 -9.188 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.360 16.969 -10.332 1.00 0.00 C ATOM 0 HA VAL A 10 8.741 15.123 -9.038 1.00 0.00 H new ATOM 0 HB VAL A 10 10.558 16.524 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.494 15.039 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.028 14.119 -8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.547 14.250 -10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.371 17.171 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.406 16.495 -11.313 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.809 17.906 -10.407 1.00 0.00 H new ATOM 144 N GLU A 11 7.926 17.554 -8.860 1.00 0.00 N ATOM 145 CA GLU A 11 7.178 18.803 -8.840 1.00 0.00 C ATOM 146 C GLU A 11 8.121 20.002 -8.830 1.00 0.00 C ATOM 147 O GLU A 11 9.295 19.868 -8.485 1.00 0.00 O ATOM 148 CB GLU A 11 6.263 18.829 -7.611 1.00 0.00 C ATOM 149 CG GLU A 11 5.154 17.784 -7.733 1.00 0.00 C ATOM 150 CD GLU A 11 4.173 18.105 -8.863 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.395 17.198 -9.220 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.207 19.253 -9.363 1.00 0.00 O ATOM 0 H GLU A 11 8.042 17.132 -7.939 1.00 0.00 H new ATOM 0 HA GLU A 11 6.570 18.865 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.850 18.639 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.823 19.820 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.599 16.805 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.611 17.723 -6.790 1.00 0.00 H new ATOM 159 N LYS A 12 7.605 21.177 -9.207 1.00 0.00 N ATOM 160 CA LYS A 12 8.382 22.408 -9.251 1.00 0.00 C ATOM 161 C LYS A 12 7.552 23.633 -8.898 1.00 0.00 C ATOM 162 O LYS A 12 6.358 23.695 -9.183 1.00 0.00 O ATOM 163 CB LYS A 12 9.034 22.597 -10.626 1.00 0.00 C ATOM 164 CG LYS A 12 10.429 21.965 -10.666 1.00 0.00 C ATOM 165 CD LYS A 12 11.095 22.240 -12.013 1.00 0.00 C ATOM 166 CE LYS A 12 12.539 21.734 -11.977 1.00 0.00 C ATOM 167 NZ LYS A 12 13.218 21.983 -13.264 1.00 0.00 N ATOM 0 H LYS A 12 6.632 21.295 -9.490 1.00 0.00 H new ATOM 0 HA LYS A 12 9.161 22.309 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.406 22.148 -11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.106 23.660 -10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.042 22.368 -9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.354 20.890 -10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.544 21.744 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.077 23.308 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.082 22.230 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.549 20.667 -11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.195 21.631 -13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.710 21.489 -14.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.227 23.004 -13.460 1.00 0.00 H new ATOM 181 N ILE A 13 8.215 24.609 -8.272 1.00 0.00 N ATOM 182 CA ILE A 13 7.646 25.897 -7.897 1.00 0.00 C ATOM 183 C ILE A 13 8.746 26.951 -8.018 1.00 0.00 C ATOM 184 O ILE A 13 9.925 26.631 -7.873 1.00 0.00 O ATOM 185 CB ILE A 13 7.072 25.848 -6.469 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.891 24.868 -6.391 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.636 27.246 -6.022 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.273 24.817 -4.994 1.00 0.00 C ATOM 0 H ILE A 13 9.195 24.517 -8.005 1.00 0.00 H new ATOM 0 HA ILE A 13 6.819 26.151 -8.560 1.00 0.00 H new ATOM 0 HB ILE A 13 7.854 25.495 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.129 25.162 -7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.229 23.871 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.232 27.195 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.495 27.917 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.870 27.622 -6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.443 24.111 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.026 24.496 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.909 25.807 -4.721 1.00 0.00 H new ATOM 200 N LYS A 14 8.367 28.203 -8.281 1.00 0.00 N ATOM 201 CA LYS A 14 9.318 29.297 -8.411 1.00 0.00 C ATOM 202 C LYS A 14 8.709 30.579 -7.849 1.00 0.00 C ATOM 203 O LYS A 14 7.526 30.844 -8.059 1.00 0.00 O ATOM 204 CB LYS A 14 9.696 29.443 -9.889 1.00 0.00 C ATOM 205 CG LYS A 14 10.770 30.510 -10.108 1.00 0.00 C ATOM 206 CD LYS A 14 11.075 30.598 -11.604 1.00 0.00 C ATOM 207 CE LYS A 14 12.242 31.543 -11.888 1.00 0.00 C ATOM 208 NZ LYS A 14 13.504 31.029 -11.318 1.00 0.00 N ATOM 0 H LYS A 14 7.394 28.482 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 14 10.224 29.091 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.055 28.486 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.808 29.700 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.426 31.475 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.673 30.257 -9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.310 29.605 -11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.189 30.944 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.354 31.672 -12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.026 32.526 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.304 31.577 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.479 31.120 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.619 30.028 -11.575 1.00 0.00 H new ATOM 222 N GLN A 15 9.508 31.372 -7.134 1.00 0.00 N ATOM 223 CA GLN A 15 9.046 32.616 -6.535 1.00 0.00 C ATOM 224 C GLN A 15 10.208 33.588 -6.328 1.00 0.00 C ATOM 225 O GLN A 15 11.363 33.172 -6.274 1.00 0.00 O ATOM 226 CB GLN A 15 8.319 32.294 -5.224 1.00 0.00 C ATOM 227 CG GLN A 15 7.834 33.546 -4.486 1.00 0.00 C ATOM 228 CD GLN A 15 6.974 34.430 -5.384 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.163 33.940 -6.163 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.147 35.745 -5.285 1.00 0.00 N ATOM 0 H GLN A 15 10.491 31.167 -6.956 1.00 0.00 H new ATOM 0 HA GLN A 15 8.346 33.113 -7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.465 31.651 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.988 31.731 -4.573 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.260 33.252 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.693 34.115 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.830 36.121 -4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.597 36.377 -5.867 1.00 0.00 H new ATOM 239 N TRP A 16 9.896 34.882 -6.212 1.00 0.00 N ATOM 240 CA TRP A 16 10.875 35.934 -5.990 1.00 0.00 C ATOM 241 C TRP A 16 10.832 36.423 -4.545 1.00 0.00 C ATOM 242 O TRP A 16 9.772 36.431 -3.917 1.00 0.00 O ATOM 243 CB TRP A 16 10.568 37.091 -6.938 1.00 0.00 C ATOM 244 CG TRP A 16 10.539 36.721 -8.386 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.503 36.137 -9.025 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.597 36.846 -9.381 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.846 35.888 -10.338 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.131 36.310 -10.615 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.904 37.370 -9.365 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.923 36.286 -11.768 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.702 37.360 -10.516 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.217 36.815 -11.716 1.00 0.00 C ATOM 0 H TRP A 16 8.938 35.227 -6.272 1.00 0.00 H new ATOM 0 HA TRP A 16 11.874 35.542 -6.182 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.603 37.519 -6.667 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.315 37.871 -6.791 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.550 35.900 -8.576 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.228 35.447 -11.019 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.298 37.787 -8.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.541 35.865 -12.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.699 37.775 -10.480 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.842 36.804 -12.597 1.00 0.00 H new ATOM 263 N ILE A 17 11.991 36.838 -4.031 1.00 0.00 N ATOM 264 CA ILE A 17 12.107 37.477 -2.726 1.00 0.00 C ATOM 265 C ILE A 17 13.077 38.648 -2.883 1.00 0.00 C ATOM 266 O ILE A 17 14.064 38.538 -3.608 1.00 0.00 O ATOM 267 CB ILE A 17 12.585 36.480 -1.653 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.099 36.241 -1.736 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.808 35.162 -1.731 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.574 35.213 -0.707 1.00 0.00 C ATOM 0 H ILE A 17 12.882 36.737 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 17 11.135 37.836 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 17 12.380 36.928 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.357 35.897 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.624 37.183 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.169 34.481 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.747 35.356 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.954 34.711 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.651 35.075 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.340 35.568 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.070 34.263 -0.882 1.00 0.00 H new ATOM 282 N PRO A 18 12.820 39.778 -2.215 1.00 0.00 N ATOM 283 CA PRO A 18 13.682 40.943 -2.281 1.00 0.00 C ATOM 284 C PRO A 18 15.062 40.594 -1.723 1.00 0.00 C ATOM 285 O PRO A 18 15.196 39.724 -0.863 1.00 0.00 O ATOM 286 CB PRO A 18 12.970 42.028 -1.474 1.00 0.00 C ATOM 287 CG PRO A 18 12.099 41.231 -0.502 1.00 0.00 C ATOM 288 CD PRO A 18 11.694 40.019 -1.336 1.00 0.00 C ATOM 0 HA PRO A 18 13.853 41.292 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.678 42.667 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.370 42.676 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.650 40.942 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.232 41.803 -0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.494 39.154 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.785 40.216 -1.904 1.00 0.00 H new ATOM 296 N THR A 19 16.093 41.281 -2.212 1.00 0.00 N ATOM 297 CA THR A 19 17.475 40.964 -1.871 1.00 0.00 C ATOM 298 C THR A 19 17.668 41.280 -0.387 1.00 0.00 C ATOM 299 O THR A 19 18.610 40.778 0.224 1.00 0.00 O ATOM 300 CB THR A 19 18.398 41.885 -2.674 1.00 0.00 C ATOM 301 OG1 THR A 19 17.803 43.152 -2.861 1.00 0.00 O ATOM 302 CG2 THR A 19 18.676 41.246 -4.029 1.00 0.00 C ATOM 0 H THR A 19 15.993 42.069 -2.852 1.00 0.00 H new ATOM 0 HA THR A 19 17.698 39.919 -2.087 1.00 0.00 H new ATOM 0 HB THR A 19 19.329 42.022 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.409 43.726 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.333 41.894 -4.609 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.157 40.279 -3.883 1.00 0.00 H new ATOM 0 HG23 THR A 19 17.737 41.107 -4.565 1.00 0.00 H new ATOM 310 N THR A 20 16.793 42.100 0.203 1.00 0.00 N ATOM 311 CA THR A 20 16.871 42.453 1.612 1.00 0.00 C ATOM 312 C THR A 20 16.579 41.308 2.581 1.00 0.00 C ATOM 313 O THR A 20 16.700 41.482 3.794 1.00 0.00 O ATOM 314 CB THR A 20 16.043 43.709 1.893 1.00 0.00 C ATOM 315 OG1 THR A 20 16.511 44.341 3.063 1.00 0.00 O ATOM 316 CG2 THR A 20 14.569 43.359 2.077 1.00 0.00 C ATOM 0 H THR A 20 16.012 42.535 -0.289 1.00 0.00 H new ATOM 0 HA THR A 20 17.918 42.681 1.813 1.00 0.00 H new ATOM 0 HB THR A 20 16.146 44.379 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.743 43.662 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.001 44.268 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.191 42.886 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.460 42.673 2.917 1.00 0.00 H new ATOM 324 N GLU A 21 16.196 40.134 2.067 1.00 0.00 N ATOM 325 CA GLU A 21 15.948 38.972 2.907 1.00 0.00 C ATOM 326 C GLU A 21 16.511 37.689 2.299 1.00 0.00 C ATOM 327 O GLU A 21 16.216 36.599 2.789 1.00 0.00 O ATOM 328 CB GLU A 21 14.459 38.856 3.252 1.00 0.00 C ATOM 329 CG GLU A 21 13.598 38.486 2.043 1.00 0.00 C ATOM 330 CD GLU A 21 12.111 38.450 2.403 1.00 0.00 C ATOM 331 OE1 GLU A 21 11.306 38.111 1.508 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.775 38.759 3.570 1.00 0.00 O ATOM 0 H GLU A 21 16.053 39.970 1.071 1.00 0.00 H new ATOM 0 HA GLU A 21 16.487 39.118 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.328 38.103 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.111 39.803 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.762 39.208 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.905 37.512 1.661 1.00 0.00 H new ATOM 339 N VAL A 22 17.322 37.784 1.237 1.00 0.00 N ATOM 340 CA VAL A 22 18.006 36.607 0.709 1.00 0.00 C ATOM 341 C VAL A 22 18.995 36.110 1.765 1.00 0.00 C ATOM 342 O VAL A 22 19.352 34.934 1.784 1.00 0.00 O ATOM 343 CB VAL A 22 18.734 36.973 -0.591 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.655 35.851 -1.069 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.715 37.252 -1.692 1.00 0.00 C ATOM 0 H VAL A 22 17.516 38.651 0.736 1.00 0.00 H new ATOM 0 HA VAL A 22 17.290 35.817 0.484 1.00 0.00 H new ATOM 0 HB VAL A 22 19.337 37.856 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.149 36.154 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.406 35.646 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.068 34.951 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.237 37.512 -2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.106 36.363 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.073 38.081 -1.393 1.00 0.00 H new ATOM 355 N GLY A 23 19.440 37.006 2.654 1.00 0.00 N ATOM 356 CA GLY A 23 20.339 36.654 3.742 1.00 0.00 C ATOM 357 C GLY A 23 19.634 35.801 4.800 1.00 0.00 C ATOM 358 O GLY A 23 20.297 35.235 5.666 1.00 0.00 O ATOM 0 H GLY A 23 19.183 37.993 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.196 36.109 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.725 37.562 4.204 1.00 0.00 H new ATOM 362 N LYS A 24 18.302 35.700 4.737 1.00 0.00 N ATOM 363 CA LYS A 24 17.531 34.856 5.645 1.00 0.00 C ATOM 364 C LYS A 24 17.494 33.411 5.146 1.00 0.00 C ATOM 365 O LYS A 24 16.879 32.560 5.783 1.00 0.00 O ATOM 366 CB LYS A 24 16.111 35.409 5.810 1.00 0.00 C ATOM 367 CG LYS A 24 16.090 36.874 6.265 1.00 0.00 C ATOM 368 CD LYS A 24 16.821 37.094 7.592 1.00 0.00 C ATOM 369 CE LYS A 24 16.203 36.236 8.694 1.00 0.00 C ATOM 370 NZ LYS A 24 16.892 36.436 9.980 1.00 0.00 N ATOM 0 H LYS A 24 17.733 36.201 4.055 1.00 0.00 H new ATOM 0 HA LYS A 24 18.020 34.863 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.580 35.320 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.572 34.801 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.549 37.495 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.056 37.203 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.876 36.845 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.770 38.146 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.147 36.485 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.255 35.185 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.449 35.840 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.894 36.175 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.821 37.435 10.260 1.00 0.00 H new ATOM 384 N ILE A 25 18.147 33.129 4.013 1.00 0.00 N ATOM 385 CA ILE A 25 18.201 31.788 3.440 1.00 0.00 C ATOM 386 C ILE A 25 19.647 31.357 3.204 1.00 0.00 C ATOM 387 O ILE A 25 19.971 30.177 3.340 1.00 0.00 O ATOM 388 CB ILE A 25 17.418 31.767 2.116 1.00 0.00 C ATOM 389 CG1 ILE A 25 15.989 32.294 2.306 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.404 30.349 1.539 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.212 32.282 0.992 1.00 0.00 C ATOM 0 H ILE A 25 18.653 33.829 3.470 1.00 0.00 H new ATOM 0 HA ILE A 25 17.750 31.086 4.141 1.00 0.00 H new ATOM 0 HB ILE A 25 17.919 32.429 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.469 31.683 3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.023 33.309 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.848 30.343 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.427 30.021 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.927 29.672 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.204 32.661 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.720 32.914 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.157 31.262 0.611 1.00 0.00 H new ATOM 403 N LEU A 26 20.516 32.311 2.850 1.00 0.00 N ATOM 404 CA LEU A 26 21.902 32.043 2.487 1.00 0.00 C ATOM 405 C LEU A 26 22.891 32.716 3.443 1.00 0.00 C ATOM 406 O LEU A 26 24.079 32.794 3.143 1.00 0.00 O ATOM 407 CB LEU A 26 22.149 32.514 1.047 1.00 0.00 C ATOM 408 CG LEU A 26 21.103 32.004 0.053 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.422 32.595 -1.316 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.133 30.480 -0.045 1.00 0.00 C ATOM 0 H LEU A 26 20.269 33.300 2.809 1.00 0.00 H new ATOM 0 HA LEU A 26 22.069 30.968 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.159 33.604 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.136 32.180 0.728 1.00 0.00 H new ATOM 0 HG LEU A 26 20.112 32.305 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.689 32.245 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.387 33.683 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.418 32.280 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.379 30.146 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.118 30.156 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.923 30.048 0.934 1.00 0.00 H new ATOM 422 N GLY A 27 22.410 33.207 4.589 1.00 0.00 N ATOM 423 CA GLY A 27 23.218 33.999 5.508 1.00 0.00 C ATOM 424 C GLY A 27 24.330 33.207 6.196 1.00 0.00 C ATOM 425 O GLY A 27 25.228 33.808 6.781 1.00 0.00 O ATOM 0 H GLY A 27 21.450 33.064 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.663 34.830 4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.568 34.430 6.269 1.00 0.00 H new ATOM 429 N ASN A 28 24.282 31.873 6.134 1.00 0.00 N ATOM 430 CA ASN A 28 25.309 31.036 6.738 1.00 0.00 C ATOM 431 C ASN A 28 25.337 29.664 6.072 1.00 0.00 C ATOM 432 O ASN A 28 24.576 28.778 6.460 1.00 0.00 O ATOM 433 CB ASN A 28 25.019 30.898 8.237 1.00 0.00 C ATOM 434 CG ASN A 28 26.015 29.978 8.931 1.00 0.00 C ATOM 435 OD1 ASN A 28 27.088 29.689 8.405 1.00 0.00 O ATOM 436 ND2 ASN A 28 25.667 29.513 10.123 1.00 0.00 N ATOM 0 H ASN A 28 23.538 31.353 5.669 1.00 0.00 H new ATOM 0 HA ASN A 28 26.286 31.498 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 28 25.049 31.883 8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 28 24.010 30.510 8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 28 26.298 28.895 10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 28 24.769 29.773 10.530 1.00 0.00 H new ATOM 443 N ARG A 29 26.210 29.494 5.073 1.00 0.00 N ATOM 444 CA ARG A 29 26.404 28.222 4.376 1.00 0.00 C ATOM 445 C ARG A 29 25.095 27.611 3.875 1.00 0.00 C ATOM 446 O ARG A 29 25.017 26.402 3.669 1.00 0.00 O ATOM 447 CB ARG A 29 27.188 27.255 5.270 1.00 0.00 C ATOM 448 CG ARG A 29 28.560 27.834 5.618 1.00 0.00 C ATOM 449 CD ARG A 29 29.276 26.921 6.615 1.00 0.00 C ATOM 450 NE ARG A 29 30.632 27.405 6.910 1.00 0.00 N ATOM 451 CZ ARG A 29 30.919 28.400 7.754 1.00 0.00 C ATOM 452 NH1 ARG A 29 29.954 29.052 8.401 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.185 28.754 7.956 1.00 0.00 N ATOM 0 H ARG A 29 26.807 30.244 4.724 1.00 0.00 H new ATOM 0 HA ARG A 29 26.989 28.420 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.627 27.061 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.310 26.299 4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.159 27.939 4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.446 28.831 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 29 28.699 26.865 7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.329 25.910 6.211 1.00 0.00 H new ATOM 0 HE ARG A 29 31.411 26.948 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 29 28.978 28.794 8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 29 30.191 29.809 9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.935 28.266 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 29 32.406 29.514 8.600 1.00 0.00 H new ATOM 467 N ALA A 30 24.071 28.449 3.681 1.00 0.00 N ATOM 468 CA ALA A 30 22.734 28.022 3.294 1.00 0.00 C ATOM 469 C ALA A 30 22.167 26.953 4.233 1.00 0.00 C ATOM 470 O ALA A 30 21.289 26.188 3.837 1.00 0.00 O ATOM 471 CB ALA A 30 22.731 27.597 1.826 1.00 0.00 C ATOM 0 H ALA A 30 24.156 29.459 3.792 1.00 0.00 H new ATOM 0 HA ALA A 30 22.056 28.869 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.728 27.278 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.035 28.438 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.428 26.771 1.685 1.00 0.00 H new ATOM 477 N ALA A 31 22.657 26.894 5.475 1.00 0.00 N ATOM 478 CA ALA A 31 22.212 25.907 6.443 1.00 0.00 C ATOM 479 C ALA A 31 20.728 26.072 6.760 1.00 0.00 C ATOM 480 O ALA A 31 20.072 25.116 7.167 1.00 0.00 O ATOM 481 CB ALA A 31 23.054 26.058 7.711 1.00 0.00 C ATOM 0 H ALA A 31 23.371 27.530 5.830 1.00 0.00 H new ATOM 0 HA ALA A 31 22.342 24.908 6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.733 25.324 8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.105 25.896 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.924 27.061 8.116 1.00 0.00 H new ATOM 487 N VAL A 32 20.189 27.283 6.574 1.00 0.00 N ATOM 488 CA VAL A 32 18.776 27.543 6.795 1.00 0.00 C ATOM 489 C VAL A 32 17.965 26.938 5.656 1.00 0.00 C ATOM 490 O VAL A 32 16.866 26.436 5.881 1.00 0.00 O ATOM 491 CB VAL A 32 18.541 29.053 6.879 1.00 0.00 C ATOM 492 CG1 VAL A 32 17.050 29.353 7.024 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.290 29.642 8.075 1.00 0.00 C ATOM 0 H VAL A 32 20.721 28.098 6.269 1.00 0.00 H new ATOM 0 HA VAL A 32 18.458 27.087 7.733 1.00 0.00 H new ATOM 0 HB VAL A 32 18.913 29.506 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.900 30.431 7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.514 28.958 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.671 28.884 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.113 30.717 8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.933 29.175 8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.358 29.454 7.964 1.00 0.00 H new ATOM 503 N LYS A 33 18.502 26.977 4.432 1.00 0.00 N ATOM 504 CA LYS A 33 17.836 26.397 3.276 1.00 0.00 C ATOM 505 C LYS A 33 17.837 24.881 3.403 1.00 0.00 C ATOM 506 O LYS A 33 16.844 24.224 3.095 1.00 0.00 O ATOM 507 CB LYS A 33 18.561 26.831 2.002 1.00 0.00 C ATOM 508 CG LYS A 33 17.818 26.359 0.750 1.00 0.00 C ATOM 509 CD LYS A 33 18.544 26.842 -0.509 1.00 0.00 C ATOM 510 CE LYS A 33 19.890 26.138 -0.706 1.00 0.00 C ATOM 511 NZ LYS A 33 19.712 24.704 -1.010 1.00 0.00 N ATOM 0 H LYS A 33 19.402 27.409 4.223 1.00 0.00 H new ATOM 0 HA LYS A 33 16.804 26.744 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.652 27.917 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.573 26.426 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.752 25.271 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.797 26.740 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.913 26.666 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.705 27.918 -0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.437 26.618 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.494 26.248 0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.638 24.273 -1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.272 24.229 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.100 24.599 -1.844 1.00 0.00 H new ATOM 525 N LYS A 34 18.961 24.325 3.862 1.00 0.00 N ATOM 526 CA LYS A 34 19.137 22.885 4.028 1.00 0.00 C ATOM 527 C LYS A 34 18.244 22.341 5.140 1.00 0.00 C ATOM 528 O LYS A 34 17.945 21.151 5.153 1.00 0.00 O ATOM 529 CB LYS A 34 20.614 22.601 4.322 1.00 0.00 C ATOM 530 CG LYS A 34 21.477 22.978 3.112 1.00 0.00 C ATOM 531 CD LYS A 34 22.953 23.010 3.497 1.00 0.00 C ATOM 532 CE LYS A 34 23.784 23.436 2.285 1.00 0.00 C ATOM 533 NZ LYS A 34 25.199 23.640 2.647 1.00 0.00 N ATOM 0 H LYS A 34 19.781 24.869 4.131 1.00 0.00 H new ATOM 0 HA LYS A 34 18.843 22.379 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.934 23.168 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.749 21.546 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.320 22.259 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.173 23.953 2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.110 23.705 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.272 22.027 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.712 22.676 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.377 24.357 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.794 23.525 1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.325 24.599 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.478 22.941 3.365 1.00 0.00 H new ATOM 547 N HIS A 35 17.810 23.197 6.071 1.00 0.00 N ATOM 548 CA HIS A 35 16.921 22.774 7.145 1.00 0.00 C ATOM 549 C HIS A 35 15.498 22.606 6.624 1.00 0.00 C ATOM 550 O HIS A 35 14.765 21.750 7.112 1.00 0.00 O ATOM 551 CB HIS A 35 16.962 23.803 8.276 1.00 0.00 C ATOM 552 CG HIS A 35 16.156 23.377 9.474 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.376 22.251 10.248 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.094 24.050 10.010 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.454 22.236 11.230 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.662 23.319 11.101 1.00 0.00 N ATOM 0 H HIS A 35 18.063 24.185 6.098 1.00 0.00 H new ATOM 0 HA HIS A 35 17.256 21.810 7.529 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.997 23.965 8.578 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.584 24.757 7.909 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.672 24.977 9.650 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.364 21.480 11.996 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.877 23.559 11.706 1.00 0.00 H new ATOM 565 N ILE A 36 15.099 23.413 5.636 1.00 0.00 N ATOM 566 CA ILE A 36 13.776 23.298 5.034 1.00 0.00 C ATOM 567 C ILE A 36 13.723 22.061 4.140 1.00 0.00 C ATOM 568 O ILE A 36 12.671 21.442 3.990 1.00 0.00 O ATOM 569 CB ILE A 36 13.447 24.581 4.261 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.326 25.757 5.233 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.144 24.427 3.470 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.257 27.100 4.503 1.00 0.00 C ATOM 0 H ILE A 36 15.678 24.153 5.239 1.00 0.00 H new ATOM 0 HA ILE A 36 13.021 23.177 5.810 1.00 0.00 H new ATOM 0 HB ILE A 36 14.256 24.772 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.433 25.631 5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.180 25.756 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.934 25.351 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.245 23.607 2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.325 24.213 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.172 27.906 5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.162 27.240 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.388 27.112 3.845 1.00 0.00 H new ATOM 584 N GLU A 37 14.860 21.693 3.545 1.00 0.00 N ATOM 585 CA GLU A 37 14.950 20.507 2.706 1.00 0.00 C ATOM 586 C GLU A 37 14.803 19.236 3.539 1.00 0.00 C ATOM 587 O GLU A 37 14.254 18.247 3.063 1.00 0.00 O ATOM 588 CB GLU A 37 16.293 20.508 1.973 1.00 0.00 C ATOM 589 CG GLU A 37 16.366 21.670 0.981 1.00 0.00 C ATOM 590 CD GLU A 37 17.718 21.747 0.273 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.608 20.929 0.604 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.853 22.629 -0.604 1.00 0.00 O ATOM 0 H GLU A 37 15.736 22.208 3.633 1.00 0.00 H new ATOM 0 HA GLU A 37 14.137 20.526 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.107 20.587 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.426 19.564 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.576 21.560 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.181 22.606 1.508 1.00 0.00 H new ATOM 599 N ARG A 38 15.289 19.256 4.786 1.00 0.00 N ATOM 600 CA ARG A 38 15.167 18.119 5.689 1.00 0.00 C ATOM 601 C ARG A 38 13.824 18.117 6.416 1.00 0.00 C ATOM 602 O ARG A 38 13.413 17.091 6.950 1.00 0.00 O ATOM 603 CB ARG A 38 16.323 18.134 6.692 1.00 0.00 C ATOM 604 CG ARG A 38 17.657 17.899 5.977 1.00 0.00 C ATOM 605 CD ARG A 38 18.807 17.953 6.983 1.00 0.00 C ATOM 606 NE ARG A 38 20.099 17.756 6.315 1.00 0.00 N ATOM 607 CZ ARG A 38 20.761 16.597 6.266 1.00 0.00 C ATOM 608 NH1 ARG A 38 20.257 15.495 6.816 1.00 0.00 N ATOM 609 NH2 ARG A 38 21.943 16.536 5.656 1.00 0.00 N ATOM 0 H ARG A 38 15.774 20.058 5.190 1.00 0.00 H new ATOM 0 HA ARG A 38 15.214 17.205 5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.347 19.091 7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.167 17.363 7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.645 16.930 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.803 18.654 5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.802 18.915 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.666 17.185 7.744 1.00 0.00 H new ATOM 0 HE ARG A 38 20.522 18.562 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.351 15.527 7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.776 14.618 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.340 17.373 5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.452 15.653 5.617 1.00 0.00 H new ATOM 623 N GLN A 39 13.139 19.265 6.438 1.00 0.00 N ATOM 624 CA GLN A 39 11.849 19.402 7.094 1.00 0.00 C ATOM 625 C GLN A 39 10.715 18.876 6.215 1.00 0.00 C ATOM 626 O GLN A 39 9.705 18.404 6.734 1.00 0.00 O ATOM 627 CB GLN A 39 11.634 20.882 7.415 1.00 0.00 C ATOM 628 CG GLN A 39 10.220 21.189 7.915 1.00 0.00 C ATOM 629 CD GLN A 39 9.869 20.427 9.187 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.738 20.061 9.973 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.579 20.184 9.403 1.00 0.00 N ATOM 0 H GLN A 39 13.471 20.123 5.998 1.00 0.00 H new ATOM 0 HA GLN A 39 11.844 18.809 8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.355 21.192 8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.834 21.474 6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.129 22.259 8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.501 20.938 7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.881 20.501 8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.288 19.680 10.241 1.00 0.00 H new ATOM 640 N PHE A 40 10.888 18.953 4.893 1.00 0.00 N ATOM 641 CA PHE A 40 9.865 18.545 3.944 1.00 0.00 C ATOM 642 C PHE A 40 10.331 17.550 2.885 1.00 0.00 C ATOM 643 O PHE A 40 9.594 17.261 1.943 1.00 0.00 O ATOM 644 CB PHE A 40 9.178 19.773 3.344 1.00 0.00 C ATOM 645 CG PHE A 40 8.382 20.577 4.351 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.672 21.936 4.524 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.363 19.976 5.107 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.945 22.694 5.452 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.645 20.729 6.043 1.00 0.00 C ATOM 650 CZ PHE A 40 6.935 22.089 6.214 1.00 0.00 C ATOM 0 H PHE A 40 11.742 19.300 4.457 1.00 0.00 H new ATOM 0 HA PHE A 40 9.129 17.978 4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.933 20.417 2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.514 19.451 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.455 22.400 3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.133 18.930 4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.163 23.744 5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.869 20.263 6.632 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.380 22.672 6.934 1.00 0.00 H new ATOM 660 N ASN A 41 11.553 17.026 3.037 1.00 0.00 N ATOM 661 CA ASN A 41 12.171 16.106 2.085 1.00 0.00 C ATOM 662 C ASN A 41 12.272 16.699 0.676 1.00 0.00 C ATOM 663 O ASN A 41 12.485 15.968 -0.295 1.00 0.00 O ATOM 664 CB ASN A 41 11.459 14.747 2.105 1.00 0.00 C ATOM 665 CG ASN A 41 11.459 14.111 3.491 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.297 14.420 4.334 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.516 13.209 3.734 1.00 0.00 N ATOM 0 H ASN A 41 12.147 17.235 3.839 1.00 0.00 H new ATOM 0 HA ASN A 41 13.200 15.942 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.431 14.874 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.946 14.074 1.399 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.472 12.749 4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.835 12.976 3.011 1.00 0.00 H new ATOM 674 N CYS A 42 12.121 18.021 0.558 1.00 0.00 N ATOM 675 CA CYS A 42 12.193 18.740 -0.705 1.00 0.00 C ATOM 676 C CYS A 42 13.631 19.187 -0.974 1.00 0.00 C ATOM 677 O CYS A 42 14.543 18.883 -0.206 1.00 0.00 O ATOM 678 CB CYS A 42 11.255 19.947 -0.638 1.00 0.00 C ATOM 679 SG CYS A 42 11.886 21.156 0.557 1.00 0.00 S ATOM 0 H CYS A 42 11.942 18.629 1.357 1.00 0.00 H new ATOM 0 HA CYS A 42 11.885 18.088 -1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.170 20.407 -1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.255 19.625 -0.349 1.00 0.00 H new ATOM 0 HG CYS A 42 11.916 22.334 0.008 1.00 0.00 H new ATOM 685 N VAL A 43 13.823 19.920 -2.074 1.00 0.00 N ATOM 686 CA VAL A 43 15.090 20.532 -2.440 1.00 0.00 C ATOM 687 C VAL A 43 14.794 21.971 -2.851 1.00 0.00 C ATOM 688 O VAL A 43 13.746 22.240 -3.434 1.00 0.00 O ATOM 689 CB VAL A 43 15.751 19.743 -3.578 1.00 0.00 C ATOM 690 CG1 VAL A 43 16.989 20.472 -4.102 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.172 18.353 -3.098 1.00 0.00 C ATOM 0 H VAL A 43 13.079 20.105 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 43 15.789 20.523 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 43 15.017 19.651 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.439 19.892 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.701 21.454 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.711 20.591 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.638 17.810 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.883 18.451 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.295 17.806 -2.753 1.00 0.00 H new ATOM 701 N ILE A 44 15.709 22.897 -2.555 1.00 0.00 N ATOM 702 CA ILE A 44 15.518 24.309 -2.861 1.00 0.00 C ATOM 703 C ILE A 44 16.766 24.872 -3.529 1.00 0.00 C ATOM 704 O ILE A 44 17.887 24.502 -3.182 1.00 0.00 O ATOM 705 CB ILE A 44 15.149 25.082 -1.590 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.858 24.505 -0.993 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.982 26.576 -1.892 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.431 25.234 0.280 1.00 0.00 C ATOM 0 H ILE A 44 16.597 22.687 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 44 14.690 24.420 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 44 15.956 24.975 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.059 24.569 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.004 23.448 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.720 27.105 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.917 26.974 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.190 26.712 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.513 24.789 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.217 25.148 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.258 26.287 0.056 1.00 0.00 H new ATOM 720 N THR A 45 16.565 25.777 -4.488 1.00 0.00 N ATOM 721 CA THR A 45 17.649 26.405 -5.233 1.00 0.00 C ATOM 722 C THR A 45 17.479 27.900 -5.445 1.00 0.00 C ATOM 723 O THR A 45 16.655 28.322 -6.255 1.00 0.00 O ATOM 724 CB THR A 45 17.928 25.675 -6.551 1.00 0.00 C ATOM 725 OG1 THR A 45 17.753 24.281 -6.408 1.00 0.00 O ATOM 726 CG2 THR A 45 19.340 25.980 -7.045 1.00 0.00 C ATOM 0 H THR A 45 15.637 26.095 -4.769 1.00 0.00 H new ATOM 0 HA THR A 45 18.528 26.305 -4.596 1.00 0.00 H new ATOM 0 HB THR A 45 17.212 26.035 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.936 23.839 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.520 25.453 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.445 27.053 -7.206 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.065 25.653 -6.300 1.00 0.00 H new ATOM 734 N VAL A 46 18.254 28.710 -4.717 1.00 0.00 N ATOM 735 CA VAL A 46 18.267 30.149 -4.921 1.00 0.00 C ATOM 736 C VAL A 46 19.129 30.492 -6.133 1.00 0.00 C ATOM 737 O VAL A 46 20.116 29.807 -6.401 1.00 0.00 O ATOM 738 CB VAL A 46 18.700 30.897 -3.653 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.450 32.395 -3.813 1.00 0.00 C ATOM 740 CG2 VAL A 46 17.926 30.400 -2.431 1.00 0.00 C ATOM 0 H VAL A 46 18.880 28.385 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 46 17.252 30.486 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 46 19.763 30.709 -3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.761 32.915 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.022 32.771 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.388 32.570 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.253 30.947 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.859 30.563 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.114 29.336 -2.289 1.00 0.00 H new ATOM 750 N HIS A 47 18.760 31.550 -6.862 1.00 0.00 N ATOM 751 CA HIS A 47 19.438 31.942 -8.083 1.00 0.00 C ATOM 752 C HIS A 47 19.864 33.405 -8.023 1.00 0.00 C ATOM 753 O HIS A 47 19.356 34.235 -8.773 1.00 0.00 O ATOM 754 CB HIS A 47 18.527 31.634 -9.268 1.00 0.00 C ATOM 755 CG HIS A 47 18.433 30.162 -9.577 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.433 29.389 -10.133 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.337 29.363 -9.387 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.954 28.139 -10.278 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.677 28.104 -9.841 1.00 0.00 N ATOM 0 H HIS A 47 17.978 32.156 -6.613 1.00 0.00 H new ATOM 0 HA HIS A 47 20.358 31.371 -8.206 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.529 32.020 -9.061 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.896 32.161 -10.148 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.368 29.708 -10.388 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.389 29.660 -8.964 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.503 27.300 -10.679 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.067 27.286 -9.845 1.00 0.00 H new ATOM 768 N THR A 48 20.799 33.720 -7.123 1.00 0.00 N ATOM 769 CA THR A 48 21.312 35.077 -6.964 1.00 0.00 C ATOM 770 C THR A 48 22.029 35.646 -8.186 1.00 0.00 C ATOM 771 O THR A 48 22.274 36.849 -8.259 1.00 0.00 O ATOM 772 CB THR A 48 22.138 35.238 -5.680 1.00 0.00 C ATOM 773 OG1 THR A 48 23.493 34.952 -5.951 1.00 0.00 O ATOM 774 CG2 THR A 48 21.655 34.328 -4.549 1.00 0.00 C ATOM 0 H THR A 48 21.219 33.042 -6.487 1.00 0.00 H new ATOM 0 HA THR A 48 20.418 35.693 -6.865 1.00 0.00 H new ATOM 0 HB THR A 48 22.016 36.270 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.020 35.057 -5.131 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.275 34.484 -3.666 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.618 34.564 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.727 33.287 -4.864 1.00 0.00 H new ATOM 782 N GLU A 49 22.368 34.785 -9.151 1.00 0.00 N ATOM 783 CA GLU A 49 22.947 35.214 -10.418 1.00 0.00 C ATOM 784 C GLU A 49 21.868 35.809 -11.328 1.00 0.00 C ATOM 785 O GLU A 49 22.164 36.228 -12.448 1.00 0.00 O ATOM 786 CB GLU A 49 23.686 34.044 -11.090 1.00 0.00 C ATOM 787 CG GLU A 49 22.774 32.922 -11.602 1.00 0.00 C ATOM 788 CD GLU A 49 22.282 31.962 -10.518 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.706 32.104 -9.350 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.470 31.080 -10.871 1.00 0.00 O ATOM 0 H GLU A 49 22.247 33.775 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 49 23.679 35.999 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.268 34.431 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.394 33.622 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.910 33.369 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.311 32.351 -12.359 1.00 0.00 H new ATOM 797 N VAL A 50 20.620 35.849 -10.851 1.00 0.00 N ATOM 798 CA VAL A 50 19.492 36.447 -11.550 1.00 0.00 C ATOM 799 C VAL A 50 18.890 37.592 -10.745 1.00 0.00 C ATOM 800 O VAL A 50 18.873 37.545 -9.516 1.00 0.00 O ATOM 801 CB VAL A 50 18.420 35.404 -11.888 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.401 35.963 -12.880 1.00 0.00 C ATOM 803 CG2 VAL A 50 19.043 34.132 -12.466 1.00 0.00 C ATOM 0 H VAL A 50 20.366 35.455 -9.945 1.00 0.00 H new ATOM 0 HA VAL A 50 19.872 36.851 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 50 17.912 35.156 -10.956 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.653 35.202 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.913 36.836 -12.447 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.909 36.251 -13.800 1.00 0.00 H new ATOM 0 HG21 VAL A 50 18.256 33.413 -12.695 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.588 34.376 -13.378 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.729 33.700 -11.738 1.00 0.00 H new ATOM 813 N GLN A 51 18.392 38.620 -11.433 1.00 0.00 N ATOM 814 CA GLN A 51 17.749 39.748 -10.777 1.00 0.00 C ATOM 815 C GLN A 51 16.793 40.432 -11.755 1.00 0.00 C ATOM 816 O GLN A 51 17.215 40.925 -12.801 1.00 0.00 O ATOM 817 CB GLN A 51 18.828 40.715 -10.273 1.00 0.00 C ATOM 818 CG GLN A 51 18.223 41.818 -9.403 1.00 0.00 C ATOM 819 CD GLN A 51 19.304 42.690 -8.775 1.00 0.00 C ATOM 820 OE1 GLN A 51 20.370 42.889 -9.351 1.00 0.00 O ATOM 821 NE2 GLN A 51 19.040 43.221 -7.584 1.00 0.00 N ATOM 0 H GLN A 51 18.424 38.690 -12.450 1.00 0.00 H new ATOM 0 HA GLN A 51 17.165 39.409 -9.922 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.574 40.164 -9.700 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.345 41.161 -11.123 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.560 42.437 -10.007 1.00 0.00 H new ATOM 0 HG3 GLN A 51 17.613 41.371 -8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.145 43.037 -7.131 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.733 43.812 -7.124 1.00 0.00 H new ATOM 830 N SER A 52 15.504 40.457 -11.406 1.00 0.00 N ATOM 831 CA SER A 52 14.478 41.092 -12.220 1.00 0.00 C ATOM 832 C SER A 52 14.538 42.609 -12.059 1.00 0.00 C ATOM 833 O SER A 52 15.298 43.122 -11.236 1.00 0.00 O ATOM 834 CB SER A 52 13.107 40.569 -11.794 1.00 0.00 C ATOM 835 OG SER A 52 12.103 41.057 -12.662 1.00 0.00 O ATOM 0 H SER A 52 15.147 40.035 -10.549 1.00 0.00 H new ATOM 0 HA SER A 52 14.648 40.853 -13.270 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.107 39.479 -11.804 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.894 40.879 -10.771 1.00 0.00 H new ATOM 0 HG SER A 52 11.408 41.508 -12.138 1.00 0.00 H new ATOM 841 N SER A 53 13.735 43.338 -12.840 1.00 0.00 N ATOM 842 CA SER A 53 13.621 44.784 -12.707 1.00 0.00 C ATOM 843 C SER A 53 13.048 45.141 -11.334 1.00 0.00 C ATOM 844 O SER A 53 13.125 46.293 -10.911 1.00 0.00 O ATOM 845 CB SER A 53 12.718 45.326 -13.810 1.00 0.00 C ATOM 846 OG SER A 53 13.269 45.035 -15.080 1.00 0.00 O ATOM 0 H SER A 53 13.151 42.941 -13.576 1.00 0.00 H new ATOM 0 HA SER A 53 14.610 45.234 -12.799 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.725 44.885 -13.727 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.599 46.403 -13.696 1.00 0.00 H new ATOM 0 HG SER A 53 12.680 45.386 -15.780 1.00 0.00 H new ATOM 852 N PHE A 54 12.473 44.154 -10.635 1.00 0.00 N ATOM 853 CA PHE A 54 11.982 44.317 -9.274 1.00 0.00 C ATOM 854 C PHE A 54 13.119 44.381 -8.254 1.00 0.00 C ATOM 855 O PHE A 54 12.891 44.711 -7.090 1.00 0.00 O ATOM 856 CB PHE A 54 11.042 43.161 -8.939 1.00 0.00 C ATOM 857 CG PHE A 54 9.814 43.098 -9.818 1.00 0.00 C ATOM 858 CD1 PHE A 54 9.645 42.031 -10.712 1.00 0.00 C ATOM 859 CD2 PHE A 54 8.850 44.111 -9.746 1.00 0.00 C ATOM 860 CE1 PHE A 54 8.508 41.977 -11.529 1.00 0.00 C ATOM 861 CE2 PHE A 54 7.709 44.057 -10.561 1.00 0.00 C ATOM 862 CZ PHE A 54 7.538 42.986 -11.455 1.00 0.00 C ATOM 0 H PHE A 54 12.338 43.214 -11.008 1.00 0.00 H new ATOM 0 HA PHE A 54 11.448 45.266 -9.219 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.589 42.223 -9.028 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.729 43.250 -7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.390 41.252 -10.771 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.985 44.936 -9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.379 41.155 -12.218 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.964 44.837 -10.501 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.661 42.941 -12.084 1.00 0.00 H new ATOM 872 N GLY A 55 14.343 44.067 -8.689 1.00 0.00 N ATOM 873 CA GLY A 55 15.521 44.050 -7.834 1.00 0.00 C ATOM 874 C GLY A 55 15.583 42.792 -6.968 1.00 0.00 C ATOM 875 O GLY A 55 16.553 42.603 -6.237 1.00 0.00 O ATOM 0 H GLY A 55 14.540 43.815 -9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.418 44.110 -8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.516 44.931 -7.193 1.00 0.00 H new ATOM 879 N ALA A 56 14.561 41.934 -7.046 1.00 0.00 N ATOM 880 CA ALA A 56 14.477 40.721 -6.249 1.00 0.00 C ATOM 881 C ALA A 56 15.281 39.574 -6.859 1.00 0.00 C ATOM 882 O ALA A 56 15.649 39.618 -8.032 1.00 0.00 O ATOM 883 CB ALA A 56 13.009 40.324 -6.116 1.00 0.00 C ATOM 0 H ALA A 56 13.766 42.069 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 56 14.908 40.922 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.931 39.415 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.458 41.127 -5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.589 40.146 -7.106 1.00 0.00 H new ATOM 889 N THR A 57 15.545 38.544 -6.048 1.00 0.00 N ATOM 890 CA THR A 57 16.275 37.354 -6.454 1.00 0.00 C ATOM 891 C THR A 57 15.252 36.215 -6.433 1.00 0.00 C ATOM 892 O THR A 57 14.517 36.066 -5.456 1.00 0.00 O ATOM 893 CB THR A 57 17.380 37.086 -5.431 1.00 0.00 C ATOM 894 OG1 THR A 57 18.476 37.928 -5.692 1.00 0.00 O ATOM 895 CG2 THR A 57 17.858 35.637 -5.484 1.00 0.00 C ATOM 0 H THR A 57 15.248 38.521 -5.072 1.00 0.00 H new ATOM 0 HA THR A 57 16.733 37.457 -7.438 1.00 0.00 H new ATOM 0 HB THR A 57 16.968 37.281 -4.441 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.183 37.757 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.643 35.485 -4.743 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.023 34.970 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.250 35.419 -6.477 1.00 0.00 H new ATOM 903 N PRO A 58 15.193 35.404 -7.494 1.00 0.00 N ATOM 904 CA PRO A 58 14.295 34.267 -7.592 1.00 0.00 C ATOM 905 C PRO A 58 14.853 33.044 -6.862 1.00 0.00 C ATOM 906 O PRO A 58 16.051 32.953 -6.587 1.00 0.00 O ATOM 907 CB PRO A 58 14.169 34.014 -9.090 1.00 0.00 C ATOM 908 CG PRO A 58 15.550 34.397 -9.617 1.00 0.00 C ATOM 909 CD PRO A 58 15.981 35.545 -8.705 1.00 0.00 C ATOM 0 HA PRO A 58 13.331 34.462 -7.123 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.929 32.973 -9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.383 34.622 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.246 33.560 -9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.508 34.709 -10.661 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.047 35.492 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.801 36.510 -9.179 1.00 0.00 H new ATOM 917 N VAL A 59 13.967 32.094 -6.555 1.00 0.00 N ATOM 918 CA VAL A 59 14.311 30.828 -5.923 1.00 0.00 C ATOM 919 C VAL A 59 13.357 29.768 -6.467 1.00 0.00 C ATOM 920 O VAL A 59 12.231 30.074 -6.860 1.00 0.00 O ATOM 921 CB VAL A 59 14.223 30.958 -4.396 1.00 0.00 C ATOM 922 CG1 VAL A 59 12.892 31.561 -3.952 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.385 29.607 -3.704 1.00 0.00 C ATOM 0 H VAL A 59 12.969 32.190 -6.745 1.00 0.00 H new ATOM 0 HA VAL A 59 15.337 30.538 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 59 15.039 31.620 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.871 31.636 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.780 32.555 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.074 30.924 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.317 29.741 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.597 28.931 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.357 29.183 -3.956 1.00 0.00 H new ATOM 933 N GLU A 60 13.816 28.514 -6.490 1.00 0.00 N ATOM 934 CA GLU A 60 13.066 27.387 -7.017 1.00 0.00 C ATOM 935 C GLU A 60 12.974 26.268 -5.985 1.00 0.00 C ATOM 936 O GLU A 60 13.793 26.197 -5.068 1.00 0.00 O ATOM 937 CB GLU A 60 13.733 26.896 -8.304 1.00 0.00 C ATOM 938 CG GLU A 60 13.577 27.938 -9.417 1.00 0.00 C ATOM 939 CD GLU A 60 14.454 27.637 -10.631 1.00 0.00 C ATOM 940 OE1 GLU A 60 15.283 26.704 -10.547 1.00 0.00 O ATOM 941 OE2 GLU A 60 14.284 28.355 -11.643 1.00 0.00 O ATOM 0 H GLU A 60 14.737 28.256 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 60 12.048 27.705 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.790 26.704 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.286 25.952 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.533 27.978 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.831 28.923 -9.025 1.00 0.00 H new ATOM 948 N ILE A 61 11.978 25.393 -6.139 1.00 0.00 N ATOM 949 CA ILE A 61 11.741 24.286 -5.223 1.00 0.00 C ATOM 950 C ILE A 61 11.442 23.025 -6.026 1.00 0.00 C ATOM 951 O ILE A 61 10.876 23.100 -7.117 1.00 0.00 O ATOM 952 CB ILE A 61 10.583 24.625 -4.272 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.836 25.982 -3.599 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.380 23.514 -3.236 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.695 26.380 -2.663 1.00 0.00 C ATOM 0 H ILE A 61 11.311 25.437 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 61 12.630 24.112 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 61 9.663 24.698 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.768 25.939 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.961 26.748 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.555 23.779 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.151 22.578 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.290 23.393 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.917 27.346 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.767 26.450 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.587 25.628 -1.881 1.00 0.00 H new ATOM 967 N VAL A 62 11.823 21.864 -5.483 1.00 0.00 N ATOM 968 CA VAL A 62 11.590 20.566 -6.105 1.00 0.00 C ATOM 969 C VAL A 62 11.206 19.559 -5.028 1.00 0.00 C ATOM 970 O VAL A 62 11.756 19.594 -3.927 1.00 0.00 O ATOM 971 CB VAL A 62 12.849 20.103 -6.856 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.640 18.714 -7.459 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.212 21.070 -7.982 1.00 0.00 C ATOM 0 H VAL A 62 12.308 21.804 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 62 10.777 20.646 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 62 13.661 20.074 -6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.543 18.406 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.423 18.001 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.804 18.743 -8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.106 20.714 -8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.387 21.128 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.402 22.059 -7.565 1.00 0.00 H new ATOM 983 N ALA A 63 10.270 18.658 -5.332 1.00 0.00 N ATOM 984 CA ALA A 63 9.839 17.636 -4.387 1.00 0.00 C ATOM 985 C ALA A 63 9.156 16.475 -5.109 1.00 0.00 C ATOM 986 O ALA A 63 8.897 16.537 -6.309 1.00 0.00 O ATOM 987 CB ALA A 63 8.882 18.256 -3.370 1.00 0.00 C ATOM 0 H ALA A 63 9.795 18.619 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 63 10.717 17.244 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.559 17.493 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.391 19.057 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.013 18.662 -3.888 1.00 0.00 H new ATOM 993 N GLN A 64 8.866 15.408 -4.363 1.00 0.00 N ATOM 994 CA GLN A 64 8.238 14.212 -4.895 1.00 0.00 C ATOM 995 C GLN A 64 6.776 14.472 -5.252 1.00 0.00 C ATOM 996 O GLN A 64 6.240 13.846 -6.164 1.00 0.00 O ATOM 997 CB GLN A 64 8.285 13.101 -3.843 1.00 0.00 C ATOM 998 CG GLN A 64 9.695 12.808 -3.323 1.00 0.00 C ATOM 999 CD GLN A 64 10.202 13.845 -2.323 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.427 14.618 -1.759 1.00 0.00 O ATOM 1001 NE2 GLN A 64 11.511 13.878 -2.091 1.00 0.00 N ATOM 0 H GLN A 64 9.065 15.356 -3.364 1.00 0.00 H new ATOM 0 HA GLN A 64 8.780 13.918 -5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.648 13.380 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.868 12.189 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.703 11.825 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.383 12.762 -4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.131 13.226 -2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.895 14.555 -1.432 1.00 0.00 H new ATOM 1010 N ASN A 65 6.135 15.396 -4.531 1.00 0.00 N ATOM 1011 CA ASN A 65 4.707 15.660 -4.630 1.00 0.00 C ATOM 1012 C ASN A 65 4.415 17.098 -4.215 1.00 0.00 C ATOM 1013 O ASN A 65 5.222 17.720 -3.527 1.00 0.00 O ATOM 1014 CB ASN A 65 3.967 14.708 -3.687 1.00 0.00 C ATOM 1015 CG ASN A 65 4.072 13.251 -4.118 1.00 0.00 C ATOM 1016 OD1 ASN A 65 3.586 12.872 -5.179 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.707 12.428 -3.288 1.00 0.00 N ATOM 0 H ASN A 65 6.608 15.990 -3.850 1.00 0.00 H new ATOM 0 HA ASN A 65 4.378 15.510 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.371 14.814 -2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.916 14.994 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.804 11.441 -3.524 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.097 12.784 -2.415 1.00 0.00 H new ATOM 1024 N LYS A 66 3.259 17.633 -4.624 1.00 0.00 N ATOM 1025 CA LYS A 66 2.859 18.975 -4.217 1.00 0.00 C ATOM 1026 C LYS A 66 2.587 19.021 -2.718 1.00 0.00 C ATOM 1027 O LYS A 66 2.639 20.087 -2.112 1.00 0.00 O ATOM 1028 CB LYS A 66 1.614 19.418 -4.990 1.00 0.00 C ATOM 1029 CG LYS A 66 1.876 19.483 -6.496 1.00 0.00 C ATOM 1030 CD LYS A 66 0.664 20.118 -7.180 1.00 0.00 C ATOM 1031 CE LYS A 66 0.822 20.162 -8.702 1.00 0.00 C ATOM 1032 NZ LYS A 66 2.012 20.923 -9.117 1.00 0.00 N ATOM 0 H LYS A 66 2.592 17.158 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 66 3.676 19.659 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.797 18.724 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.294 20.397 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.773 20.068 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.052 18.483 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.233 19.554 -6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.523 21.130 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.891 19.145 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.067 20.611 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.809 21.428 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.261 21.609 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.808 20.270 -9.265 1.00 0.00 H new ATOM 1046 N GLU A 67 2.298 17.866 -2.114 1.00 0.00 N ATOM 1047 CA GLU A 67 2.076 17.771 -0.677 1.00 0.00 C ATOM 1048 C GLU A 67 3.370 18.030 0.096 1.00 0.00 C ATOM 1049 O GLU A 67 3.323 18.256 1.305 1.00 0.00 O ATOM 1050 CB GLU A 67 1.538 16.382 -0.334 1.00 0.00 C ATOM 1051 CG GLU A 67 0.209 16.124 -1.051 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.413 14.787 -0.647 1.00 0.00 C ATOM 1053 OE1 GLU A 67 0.256 14.026 0.089 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.560 14.532 -1.081 1.00 0.00 O ATOM 0 H GLU A 67 2.213 16.977 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 67 1.348 18.530 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.266 15.623 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.398 16.297 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.488 16.931 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.371 16.137 -2.129 1.00 0.00 H new ATOM 1061 N GLN A 68 4.518 18.000 -0.591 1.00 0.00 N ATOM 1062 CA GLN A 68 5.812 18.283 0.015 1.00 0.00 C ATOM 1063 C GLN A 68 6.427 19.558 -0.567 1.00 0.00 C ATOM 1064 O GLN A 68 7.264 20.185 0.083 1.00 0.00 O ATOM 1065 CB GLN A 68 6.743 17.090 -0.221 1.00 0.00 C ATOM 1066 CG GLN A 68 6.193 15.793 0.378 1.00 0.00 C ATOM 1067 CD GLN A 68 5.965 15.894 1.885 1.00 0.00 C ATOM 1068 OE1 GLN A 68 4.949 15.434 2.392 1.00 0.00 O ATOM 1069 NE2 GLN A 68 6.900 16.493 2.617 1.00 0.00 N ATOM 0 H GLN A 68 4.569 17.778 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 68 5.675 18.441 1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.894 16.957 -1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.719 17.303 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.253 15.541 -0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.888 14.979 0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.736 16.867 2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.781 16.578 3.626 1.00 0.00 H new ATOM 1078 N CYS A 69 6.023 19.952 -1.778 1.00 0.00 N ATOM 1079 CA CYS A 69 6.598 21.112 -2.443 1.00 0.00 C ATOM 1080 C CYS A 69 5.930 22.395 -1.947 1.00 0.00 C ATOM 1081 O CYS A 69 6.597 23.416 -1.787 1.00 0.00 O ATOM 1082 CB CYS A 69 6.366 20.966 -3.948 1.00 0.00 C ATOM 1083 SG CYS A 69 7.493 22.074 -4.832 1.00 0.00 S ATOM 0 H CYS A 69 5.297 19.479 -2.315 1.00 0.00 H new ATOM 0 HA CYS A 69 7.664 21.170 -2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.535 19.934 -4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.332 21.207 -4.194 1.00 0.00 H new ATOM 0 HG CYS A 69 7.303 21.954 -6.113 1.00 0.00 H new ATOM 1089 N GLN A 70 4.617 22.348 -1.694 1.00 0.00 N ATOM 1090 CA GLN A 70 3.871 23.517 -1.250 1.00 0.00 C ATOM 1091 C GLN A 70 4.200 23.867 0.198 1.00 0.00 C ATOM 1092 O GLN A 70 4.137 25.032 0.579 1.00 0.00 O ATOM 1093 CB GLN A 70 2.367 23.251 -1.381 1.00 0.00 C ATOM 1094 CG GLN A 70 1.938 23.029 -2.835 1.00 0.00 C ATOM 1095 CD GLN A 70 1.973 24.301 -3.678 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.265 25.386 -3.183 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.676 24.168 -4.967 1.00 0.00 N ATOM 0 H GLN A 70 4.052 21.504 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 70 4.156 24.359 -1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.103 22.375 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.814 24.094 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.591 22.283 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.928 22.620 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.438 23.250 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.686 24.984 -5.579 1.00 0.00 H new ATOM 1106 N GLU A 71 4.555 22.868 1.010 1.00 0.00 N ATOM 1107 CA GLU A 71 4.868 23.108 2.408 1.00 0.00 C ATOM 1108 C GLU A 71 6.192 23.859 2.534 1.00 0.00 C ATOM 1109 O GLU A 71 6.366 24.652 3.456 1.00 0.00 O ATOM 1110 CB GLU A 71 4.934 21.774 3.153 1.00 0.00 C ATOM 1111 CG GLU A 71 3.614 20.996 3.052 1.00 0.00 C ATOM 1112 CD GLU A 71 2.441 21.711 3.732 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.682 22.703 4.452 1.00 0.00 O ATOM 1114 OE2 GLU A 71 1.298 21.249 3.519 1.00 0.00 O ATOM 0 H GLU A 71 4.631 21.893 0.719 1.00 0.00 H new ATOM 0 HA GLU A 71 4.085 23.723 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.744 21.170 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.169 21.955 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.374 20.835 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.743 20.012 3.504 1.00 0.00 H new ATOM 1121 N ALA A 72 7.125 23.613 1.607 1.00 0.00 N ATOM 1122 CA ALA A 72 8.396 24.319 1.585 1.00 0.00 C ATOM 1123 C ALA A 72 8.240 25.700 0.946 1.00 0.00 C ATOM 1124 O ALA A 72 8.995 26.619 1.252 1.00 0.00 O ATOM 1125 CB ALA A 72 9.406 23.480 0.803 1.00 0.00 C ATOM 0 H ALA A 72 7.016 22.925 0.862 1.00 0.00 H new ATOM 0 HA ALA A 72 8.748 24.466 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.366 23.996 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.528 22.512 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.046 23.333 -0.215 1.00 0.00 H new ATOM 1131 N ARG A 73 7.251 25.848 0.056 1.00 0.00 N ATOM 1132 CA ARG A 73 6.966 27.105 -0.616 1.00 0.00 C ATOM 1133 C ARG A 73 6.324 28.102 0.344 1.00 0.00 C ATOM 1134 O ARG A 73 6.671 29.281 0.331 1.00 0.00 O ATOM 1135 CB ARG A 73 6.038 26.823 -1.803 1.00 0.00 C ATOM 1136 CG ARG A 73 5.454 28.092 -2.430 1.00 0.00 C ATOM 1137 CD ARG A 73 6.546 29.040 -2.922 1.00 0.00 C ATOM 1138 NE ARG A 73 5.994 30.074 -3.806 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.135 31.025 -3.434 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.723 31.123 -2.174 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.675 31.895 -4.327 1.00 0.00 N ATOM 0 H ARG A 73 6.626 25.089 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 73 7.896 27.548 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.590 26.271 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.222 26.181 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.807 27.820 -3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.831 28.605 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.034 29.510 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.310 28.473 -3.454 1.00 0.00 H new ATOM 0 HE ARG A 73 6.291 30.065 -4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.064 30.465 -1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.066 31.856 -1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.978 31.837 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.018 32.621 -4.040 1.00 0.00 H new ATOM 1155 N ASN A 74 5.395 27.628 1.173 1.00 0.00 N ATOM 1156 CA ASN A 74 4.688 28.482 2.118 1.00 0.00 C ATOM 1157 C ASN A 74 5.515 28.780 3.367 1.00 0.00 C ATOM 1158 O ASN A 74 5.150 29.659 4.147 1.00 0.00 O ATOM 1159 CB ASN A 74 3.351 27.826 2.464 1.00 0.00 C ATOM 1160 CG ASN A 74 2.391 27.869 1.282 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.205 28.912 0.661 1.00 0.00 O ATOM 1162 ND2 ASN A 74 1.771 26.738 0.955 1.00 0.00 N ATOM 0 H ASN A 74 5.115 26.648 1.207 1.00 0.00 H new ATOM 0 HA ASN A 74 4.508 29.450 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.518 26.791 2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.904 28.336 3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.121 26.722 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.946 25.887 1.490 1.00 0.00 H new ATOM 1169 N ALA A 75 6.625 28.063 3.571 1.00 0.00 N ATOM 1170 CA ALA A 75 7.484 28.294 4.724 1.00 0.00 C ATOM 1171 C ALA A 75 8.420 29.477 4.487 1.00 0.00 C ATOM 1172 O ALA A 75 8.739 30.206 5.423 1.00 0.00 O ATOM 1173 CB ALA A 75 8.293 27.026 5.000 1.00 0.00 C ATOM 0 H ALA A 75 6.945 27.320 2.950 1.00 0.00 H new ATOM 0 HA ALA A 75 6.863 28.534 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.940 27.188 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.614 26.199 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.902 26.786 4.129 1.00 0.00 H new ATOM 1179 N VAL A 76 8.866 29.682 3.244 1.00 0.00 N ATOM 1180 CA VAL A 76 9.848 30.714 2.930 1.00 0.00 C ATOM 1181 C VAL A 76 9.180 32.081 2.805 1.00 0.00 C ATOM 1182 O VAL A 76 9.858 33.105 2.743 1.00 0.00 O ATOM 1183 CB VAL A 76 10.589 30.318 1.641 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.613 31.365 1.200 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.341 29.007 1.862 1.00 0.00 C ATOM 0 H VAL A 76 8.557 29.141 2.436 1.00 0.00 H new ATOM 0 HA VAL A 76 10.572 30.794 3.741 1.00 0.00 H new ATOM 0 HB VAL A 76 9.829 30.225 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.104 31.031 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.108 32.313 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.358 31.498 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.865 28.729 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.063 29.133 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.633 28.222 2.127 1.00 0.00 H new ATOM 1195 N MET A 77 7.846 32.120 2.769 1.00 0.00 N ATOM 1196 CA MET A 77 7.121 33.370 2.601 1.00 0.00 C ATOM 1197 C MET A 77 6.900 34.118 3.915 1.00 0.00 C ATOM 1198 O MET A 77 6.392 35.239 3.890 1.00 0.00 O ATOM 1199 CB MET A 77 5.784 33.083 1.921 1.00 0.00 C ATOM 1200 CG MET A 77 5.975 32.443 0.545 1.00 0.00 C ATOM 1201 SD MET A 77 6.566 33.559 -0.755 1.00 0.00 S ATOM 1202 CE MET A 77 8.332 33.167 -0.726 1.00 0.00 C ATOM 0 H MET A 77 7.250 31.296 2.855 1.00 0.00 H new ATOM 0 HA MET A 77 7.733 34.024 1.979 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.190 32.421 2.551 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.223 34.011 1.816 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.681 31.618 0.641 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.025 32.014 0.228 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.749 33.293 -1.725 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.842 33.836 -0.033 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.470 32.135 -0.403 1.00 0.00 H new ATOM 1212 N SER A 78 7.269 33.530 5.059 1.00 0.00 N ATOM 1213 CA SER A 78 7.073 34.200 6.338 1.00 0.00 C ATOM 1214 C SER A 78 7.963 33.642 7.445 1.00 0.00 C ATOM 1215 O SER A 78 8.441 34.400 8.286 1.00 0.00 O ATOM 1216 CB SER A 78 5.603 34.054 6.744 1.00 0.00 C ATOM 1217 OG SER A 78 5.381 34.627 8.014 1.00 0.00 O ATOM 0 H SER A 78 7.698 32.607 5.120 1.00 0.00 H new ATOM 0 HA SER A 78 7.348 35.247 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.966 34.538 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.328 33.000 6.761 1.00 0.00 H new ATOM 0 HG SER A 78 4.437 34.527 8.258 1.00 0.00 H new ATOM 1223 N LEU A 79 8.196 32.324 7.457 1.00 0.00 N ATOM 1224 CA LEU A 79 8.984 31.696 8.511 1.00 0.00 C ATOM 1225 C LEU A 79 10.469 31.707 8.160 1.00 0.00 C ATOM 1226 O LEU A 79 11.304 32.037 9.000 1.00 0.00 O ATOM 1227 CB LEU A 79 8.504 30.252 8.711 1.00 0.00 C ATOM 1228 CG LEU A 79 7.001 30.175 9.003 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.591 28.711 9.153 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.652 30.923 10.289 1.00 0.00 C ATOM 0 H LEU A 79 7.849 31.678 6.748 1.00 0.00 H new ATOM 0 HA LEU A 79 8.849 32.260 9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.729 29.669 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.056 29.799 9.534 1.00 0.00 H new ATOM 0 HG LEU A 79 6.466 30.638 8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.523 28.652 9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.811 28.175 8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.146 28.260 9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.580 30.852 10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.193 30.480 11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.934 31.971 10.188 1.00 0.00 H new ATOM 1242 N MET A 80 10.784 31.340 6.915 1.00 0.00 N ATOM 1243 CA MET A 80 12.139 31.266 6.378 1.00 0.00 C ATOM 1244 C MET A 80 13.075 30.427 7.253 1.00 0.00 C ATOM 1245 O MET A 80 14.281 30.428 7.025 1.00 0.00 O ATOM 1246 CB MET A 80 12.692 32.676 6.145 1.00 0.00 C ATOM 1247 CG MET A 80 11.669 33.539 5.405 1.00 0.00 C ATOM 1248 SD MET A 80 12.285 35.160 4.886 1.00 0.00 S ATOM 1249 CE MET A 80 13.250 34.649 3.440 1.00 0.00 C ATOM 0 H MET A 80 10.074 31.077 6.231 1.00 0.00 H new ATOM 0 HA MET A 80 12.086 30.751 5.419 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.942 33.137 7.101 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.615 32.620 5.567 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.325 32.997 4.524 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.802 33.684 6.049 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.696 35.526 2.972 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.038 33.964 3.752 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.597 34.149 2.725 1.00 0.00 H new ATOM 1259 N GLN A 81 12.532 29.715 8.248 1.00 0.00 N ATOM 1260 CA GLN A 81 13.295 28.946 9.224 1.00 0.00 C ATOM 1261 C GLN A 81 14.412 29.754 9.888 1.00 0.00 C ATOM 1262 O GLN A 81 15.345 29.177 10.450 1.00 0.00 O ATOM 1263 CB GLN A 81 13.782 27.623 8.615 1.00 0.00 C ATOM 1264 CG GLN A 81 12.612 26.662 8.387 1.00 0.00 C ATOM 1265 CD GLN A 81 11.902 26.275 9.682 1.00 0.00 C ATOM 1266 OE1 GLN A 81 12.466 26.375 10.769 1.00 0.00 O ATOM 1267 NE2 GLN A 81 10.655 25.829 9.575 1.00 0.00 N ATOM 0 H GLN A 81 11.524 29.660 8.396 1.00 0.00 H new ATOM 0 HA GLN A 81 12.618 28.695 10.041 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.287 27.818 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.514 27.161 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.895 27.125 7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.979 25.761 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.216 25.758 8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.137 25.558 10.411 1.00 0.00 H new