USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 639 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 14 HIS :FLIP no HD1:sc= -0.126 F(o=-2.5!,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ -144:sc= 0.195 (180deg=0.00399) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.507) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 45 TYR OH : rot -140:sc= 1.18 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0818 K(o=-0.082,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -51:sc= -0.265 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.96! C(o=-4!,f=-9!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 86 TYR OH : rot 130:sc= -0.166 USER MOD Single : A 89 GLN : amide:sc= -0.267! K(o=-0.27!,f=-1.2) USER MOD Single : A 92 SER OG : rot -73:sc= 0.0541 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -5.565 -12.609 0.798 1.00 0.00 N ATOM 137 CA TRP A 13 -5.421 -11.500 -0.138 1.00 0.00 C ATOM 138 C TRP A 13 -4.013 -10.917 -0.078 1.00 0.00 C ATOM 139 O TRP A 13 -3.543 -10.514 0.987 1.00 0.00 O ATOM 140 CB TRP A 13 -6.451 -10.412 0.165 1.00 0.00 C ATOM 141 CG TRP A 13 -6.316 -9.205 -0.712 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.225 -8.392 -0.826 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.308 -8.674 -1.598 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.478 -7.387 -1.728 1.00 0.00 N ATOM 145 CE2 TRP A 13 -6.749 -7.538 -2.217 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.613 -9.048 -1.930 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.452 -6.776 -3.146 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.309 -8.290 -2.852 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.727 -7.165 -3.452 1.00 0.00 C ATOM 0 HA TRP A 13 -5.593 -11.882 -1.144 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.452 -10.827 0.048 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.352 -10.108 1.207 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.299 -8.520 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.826 -6.648 -1.991 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.069 -9.914 -1.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.006 -5.908 -3.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.319 -8.569 -3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.297 -6.594 -4.170 1.00 0.00 H new ATOM 160 N HIS A 14 -3.345 -10.873 -1.226 1.00 0.00 N ATOM 161 CA HIS A 14 -1.991 -10.337 -1.303 1.00 0.00 C ATOM 162 C HIS A 14 -1.863 -9.348 -2.458 1.00 0.00 C ATOM 163 O HIS A 14 -2.610 -9.418 -3.435 1.00 0.00 O ATOM 164 CB HIS A 14 -0.980 -11.471 -1.472 1.00 0.00 C ATOM 165 CG HIS A 14 -0.770 -11.879 -2.897 1.00 0.00 C ATOM 166 ND1 HIS A 14 0.165 -11.498 -3.799 1.00 0.00 N flip ATOM 167 CD2 HIS A 14 -1.581 -12.785 -3.548 1.00 0.00 C flip ATOM 168 CE1 HIS A 14 -0.095 -12.175 -4.965 1.00 0.00 C flip ATOM 169 NE2 HIS A 14 -1.153 -12.945 -4.787 1.00 0.00 N flip ATOM 0 H HIS A 14 -3.719 -11.202 -2.116 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.782 -9.810 -0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.025 -11.162 -1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.318 -12.336 -0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.433 -13.286 -3.112 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.474 -12.091 -5.879 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.569 -13.559 -5.487 1.00 0.00 H new ATOM 178 N LEU A 15 -0.912 -8.428 -2.340 1.00 0.00 N ATOM 179 CA LEU A 15 -0.686 -7.425 -3.375 1.00 0.00 C ATOM 180 C LEU A 15 0.806 -7.224 -3.622 1.00 0.00 C ATOM 181 O LEU A 15 1.627 -7.441 -2.731 1.00 0.00 O ATOM 182 CB LEU A 15 -1.331 -6.097 -2.975 1.00 0.00 C ATOM 183 CG LEU A 15 -1.707 -5.160 -4.123 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.939 -5.675 -4.851 1.00 0.00 C ATOM 185 CD2 LEU A 15 -1.942 -3.749 -3.605 1.00 0.00 C ATOM 0 H LEU A 15 -0.285 -8.356 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.144 -7.781 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.231 -6.312 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.646 -5.569 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.878 -5.132 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.192 -4.995 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.734 -6.666 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.775 -5.734 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.209 -3.096 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.753 -3.759 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.033 -3.380 -3.130 1.00 0.00 H new ATOM 197 N ALA A 16 1.149 -6.806 -4.836 1.00 0.00 N ATOM 198 CA ALA A 16 2.541 -6.572 -5.199 1.00 0.00 C ATOM 199 C ALA A 16 2.943 -5.126 -4.928 1.00 0.00 C ATOM 200 O ALA A 16 2.279 -4.192 -5.378 1.00 0.00 O ATOM 201 CB ALA A 16 2.771 -6.920 -6.662 1.00 0.00 C ATOM 0 H ALA A 16 0.481 -6.622 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 16 3.165 -7.218 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.815 -6.740 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.532 -7.970 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.131 -6.299 -7.289 1.00 0.00 H new ATOM 207 N VAL A 17 4.033 -4.948 -4.188 1.00 0.00 N ATOM 208 CA VAL A 17 4.523 -3.615 -3.857 1.00 0.00 C ATOM 209 C VAL A 17 5.855 -3.334 -4.544 1.00 0.00 C ATOM 210 O VAL A 17 6.771 -4.156 -4.508 1.00 0.00 O ATOM 211 CB VAL A 17 4.695 -3.442 -2.337 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.151 -2.029 -2.008 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.398 -3.774 -1.613 1.00 0.00 C ATOM 0 H VAL A 17 4.593 -5.710 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 17 3.777 -2.905 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 17 5.464 -4.135 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.267 -1.926 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.105 -1.832 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.408 -1.315 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.538 -3.646 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.608 -3.107 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.118 -4.807 -1.822 1.00 0.00 H new ATOM 223 N LYS A 18 5.957 -2.166 -5.168 1.00 0.00 N ATOM 224 CA LYS A 18 7.178 -1.773 -5.862 1.00 0.00 C ATOM 225 C LYS A 18 7.626 -0.381 -5.429 1.00 0.00 C ATOM 226 O LYS A 18 6.837 0.564 -5.427 1.00 0.00 O ATOM 227 CB LYS A 18 6.960 -1.801 -7.377 1.00 0.00 C ATOM 228 CG LYS A 18 7.139 -3.178 -7.992 1.00 0.00 C ATOM 229 CD LYS A 18 8.601 -3.593 -8.015 1.00 0.00 C ATOM 230 CE LYS A 18 9.401 -2.760 -9.004 1.00 0.00 C ATOM 231 NZ LYS A 18 10.547 -3.522 -9.572 1.00 0.00 N ATOM 0 H LYS A 18 5.208 -1.474 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 18 7.960 -2.486 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.955 -1.442 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.657 -1.108 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.561 -3.908 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.744 -3.178 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.027 -3.484 -7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.677 -4.647 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.748 -2.430 -9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.772 -1.863 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.355 -2.882 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.816 -4.284 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.271 -3.933 -10.487 1.00 0.00 H new ATOM 245 N LEU A 19 8.898 -0.262 -5.063 1.00 0.00 N ATOM 246 CA LEU A 19 9.452 1.016 -4.628 1.00 0.00 C ATOM 247 C LEU A 19 9.845 1.874 -5.826 1.00 0.00 C ATOM 248 O LEU A 19 10.863 1.627 -6.473 1.00 0.00 O ATOM 249 CB LEU A 19 10.668 0.787 -3.729 1.00 0.00 C ATOM 250 CG LEU A 19 11.163 2.005 -2.947 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.481 2.080 -1.589 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.675 1.956 -2.785 1.00 0.00 C ATOM 0 H LEU A 19 9.565 -1.034 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 19 8.684 1.544 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.426 -0.003 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.487 0.419 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 19 10.907 2.903 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.845 2.952 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.403 2.163 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.705 1.179 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.010 2.830 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.954 1.051 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.146 1.951 -3.768 1.00 0.00 H new ATOM 264 N ALA A 20 9.033 2.886 -6.115 1.00 0.00 N ATOM 265 CA ALA A 20 9.299 3.784 -7.233 1.00 0.00 C ATOM 266 C ALA A 20 10.705 4.366 -7.147 1.00 0.00 C ATOM 267 O ALA A 20 11.365 4.571 -8.165 1.00 0.00 O ATOM 268 CB ALA A 20 8.265 4.899 -7.270 1.00 0.00 C ATOM 0 H ALA A 20 8.186 3.105 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 20 9.229 3.207 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.475 5.562 -8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.270 4.469 -7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.308 5.466 -6.340 1.00 0.00 H new ATOM 274 N ASP A 21 11.157 4.630 -5.926 1.00 0.00 N ATOM 275 CA ASP A 21 12.487 5.189 -5.707 1.00 0.00 C ATOM 276 C ASP A 21 13.564 4.261 -6.261 1.00 0.00 C ATOM 277 O ASP A 21 14.548 4.716 -6.842 1.00 0.00 O ATOM 278 CB ASP A 21 12.722 5.431 -4.216 1.00 0.00 C ATOM 279 CG ASP A 21 11.724 6.405 -3.622 1.00 0.00 C ATOM 280 OD1 ASP A 21 11.934 7.629 -3.761 1.00 0.00 O ATOM 281 OD2 ASP A 21 10.731 5.945 -3.021 1.00 0.00 O ATOM 0 H ASP A 21 10.623 4.466 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 21 12.546 6.141 -6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.660 4.482 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.731 5.815 -4.068 1.00 0.00 H new ATOM 286 N GLN A 22 13.370 2.960 -6.075 1.00 0.00 N ATOM 287 CA GLN A 22 14.326 1.969 -6.554 1.00 0.00 C ATOM 288 C GLN A 22 13.629 0.898 -7.388 1.00 0.00 C ATOM 289 O GLN A 22 13.034 -0.043 -6.862 1.00 0.00 O ATOM 290 CB GLN A 22 15.055 1.321 -5.376 1.00 0.00 C ATOM 291 CG GLN A 22 15.661 2.325 -4.409 1.00 0.00 C ATOM 292 CD GLN A 22 16.538 1.669 -3.360 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.505 0.980 -3.686 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.204 1.880 -2.093 1.00 0.00 N ATOM 0 H GLN A 22 12.560 2.567 -5.596 1.00 0.00 H new ATOM 0 HA GLN A 22 15.053 2.479 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.357 0.683 -4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.845 0.676 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.251 3.051 -4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.861 2.877 -3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.394 2.458 -1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.757 1.464 -1.344 1.00 0.00 H new ATOM 303 N PRO A 23 13.702 1.043 -8.719 1.00 0.00 N ATOM 304 CA PRO A 23 13.084 0.098 -9.653 1.00 0.00 C ATOM 305 C PRO A 23 13.791 -1.254 -9.663 1.00 0.00 C ATOM 306 O PRO A 23 13.322 -2.207 -10.287 1.00 0.00 O ATOM 307 CB PRO A 23 13.236 0.790 -11.010 1.00 0.00 C ATOM 308 CG PRO A 23 14.414 1.687 -10.848 1.00 0.00 C ATOM 309 CD PRO A 23 14.395 2.140 -9.415 1.00 0.00 C ATOM 0 HA PRO A 23 12.051 -0.123 -9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.397 0.065 -11.808 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.341 1.355 -11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.340 1.160 -11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.353 2.537 -11.527 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.403 2.289 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.866 3.086 -9.300 1.00 0.00 H new ATOM 317 N LEU A 24 14.920 -1.331 -8.968 1.00 0.00 N ATOM 318 CA LEU A 24 15.691 -2.567 -8.895 1.00 0.00 C ATOM 319 C LEU A 24 15.362 -3.340 -7.623 1.00 0.00 C ATOM 320 O LEU A 24 15.418 -4.570 -7.600 1.00 0.00 O ATOM 321 CB LEU A 24 17.189 -2.260 -8.947 1.00 0.00 C ATOM 322 CG LEU A 24 17.653 -1.369 -10.100 1.00 0.00 C ATOM 323 CD1 LEU A 24 18.896 -0.587 -9.704 1.00 0.00 C ATOM 324 CD2 LEU A 24 17.919 -2.203 -11.344 1.00 0.00 C ATOM 0 H LEU A 24 15.322 -0.552 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 24 15.423 -3.185 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.474 -1.784 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.731 -3.204 -9.003 1.00 0.00 H new ATOM 0 HG LEU A 24 16.859 -0.658 -10.327 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.211 0.041 -10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.672 0.040 -8.841 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.697 -1.281 -9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.248 -1.553 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.695 -2.938 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.004 -2.717 -11.640 1.00 0.00 H new ATOM 336 N ALA A 25 15.018 -2.612 -6.566 1.00 0.00 N ATOM 337 CA ALA A 25 14.676 -3.230 -5.291 1.00 0.00 C ATOM 338 C ALA A 25 13.737 -4.415 -5.490 1.00 0.00 C ATOM 339 O ALA A 25 12.934 -4.452 -6.423 1.00 0.00 O ATOM 340 CB ALA A 25 14.046 -2.205 -4.360 1.00 0.00 C ATOM 0 H ALA A 25 14.969 -1.593 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 25 15.595 -3.601 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.796 -2.680 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.750 -1.392 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.140 -1.807 -4.817 1.00 0.00 H new ATOM 346 N PRO A 26 13.837 -5.407 -4.593 1.00 0.00 N ATOM 347 CA PRO A 26 13.004 -6.612 -4.650 1.00 0.00 C ATOM 348 C PRO A 26 11.545 -6.324 -4.313 1.00 0.00 C ATOM 349 O PRO A 26 11.247 -5.501 -3.447 1.00 0.00 O ATOM 350 CB PRO A 26 13.628 -7.524 -3.590 1.00 0.00 C ATOM 351 CG PRO A 26 14.293 -6.595 -2.635 1.00 0.00 C ATOM 352 CD PRO A 26 14.772 -5.430 -3.455 1.00 0.00 C ATOM 0 HA PRO A 26 12.984 -7.048 -5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.870 -8.128 -3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.345 -8.215 -4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.598 -6.268 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.125 -7.085 -2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.739 -4.499 -2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.802 -5.566 -3.784 1.00 0.00 H new ATOM 360 N LYS A 27 10.638 -7.008 -5.002 1.00 0.00 N ATOM 361 CA LYS A 27 9.209 -6.828 -4.776 1.00 0.00 C ATOM 362 C LYS A 27 8.808 -7.340 -3.397 1.00 0.00 C ATOM 363 O LYS A 27 9.312 -8.363 -2.933 1.00 0.00 O ATOM 364 CB LYS A 27 8.405 -7.555 -5.856 1.00 0.00 C ATOM 365 CG LYS A 27 6.910 -7.584 -5.585 1.00 0.00 C ATOM 366 CD LYS A 27 6.154 -8.274 -6.708 1.00 0.00 C ATOM 367 CE LYS A 27 6.013 -9.766 -6.450 1.00 0.00 C ATOM 368 NZ LYS A 27 7.146 -10.539 -7.029 1.00 0.00 N ATOM 0 H LYS A 27 10.868 -7.693 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 27 8.990 -5.761 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.582 -7.071 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.770 -8.578 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.720 -8.102 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.540 -6.565 -5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.165 -7.826 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.676 -8.115 -7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.962 -9.946 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.075 -10.121 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.850 -11.524 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.429 -10.114 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.951 -10.520 -6.371 1.00 0.00 H new ATOM 382 N SER A 28 7.896 -6.623 -2.746 1.00 0.00 N ATOM 383 CA SER A 28 7.429 -7.005 -1.418 1.00 0.00 C ATOM 384 C SER A 28 5.917 -7.208 -1.412 1.00 0.00 C ATOM 385 O SER A 28 5.151 -6.258 -1.578 1.00 0.00 O ATOM 386 CB SER A 28 7.816 -5.938 -0.393 1.00 0.00 C ATOM 387 OG SER A 28 8.018 -6.510 0.888 1.00 0.00 O ATOM 0 H SER A 28 7.467 -5.775 -3.117 1.00 0.00 H new ATOM 0 HA SER A 28 7.906 -7.948 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.726 -5.432 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.033 -5.182 -0.338 1.00 0.00 H new ATOM 0 HG SER A 28 8.266 -5.807 1.525 1.00 0.00 H new ATOM 393 N ILE A 29 5.495 -8.454 -1.220 1.00 0.00 N ATOM 394 CA ILE A 29 4.075 -8.782 -1.191 1.00 0.00 C ATOM 395 C ILE A 29 3.431 -8.324 0.113 1.00 0.00 C ATOM 396 O ILE A 29 3.943 -8.594 1.200 1.00 0.00 O ATOM 397 CB ILE A 29 3.844 -10.296 -1.360 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.301 -10.752 -2.747 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.378 -10.635 -1.141 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.548 -10.089 -3.879 1.00 0.00 C ATOM 0 H ILE A 29 6.116 -9.252 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 29 3.613 -8.256 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 29 4.435 -10.825 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.365 -10.543 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.179 -11.832 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.230 -11.708 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.083 -10.341 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.768 -10.099 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.924 -10.460 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.486 -10.319 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.690 -9.010 -3.828 1.00 0.00 H new ATOM 412 N LEU A 30 2.305 -7.629 -0.003 1.00 0.00 N ATOM 413 CA LEU A 30 1.588 -7.133 1.167 1.00 0.00 C ATOM 414 C LEU A 30 0.289 -7.905 1.377 1.00 0.00 C ATOM 415 O LEU A 30 -0.313 -8.396 0.423 1.00 0.00 O ATOM 416 CB LEU A 30 1.289 -5.641 1.012 1.00 0.00 C ATOM 417 CG LEU A 30 0.338 -5.036 2.046 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.089 -4.683 3.320 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.357 -3.808 1.477 1.00 0.00 C ATOM 0 H LEU A 30 1.869 -7.396 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 30 2.222 -7.281 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.232 -5.096 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.868 -5.476 0.020 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.422 -5.778 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.396 -4.254 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.539 -5.583 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.871 -3.958 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.030 -3.391 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.389 -3.062 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.929 -4.090 0.593 1.00 0.00 H new ATOM 431 N GLN A 31 -0.137 -8.005 2.632 1.00 0.00 N ATOM 432 CA GLN A 31 -1.365 -8.716 2.967 1.00 0.00 C ATOM 433 C GLN A 31 -2.290 -7.840 3.806 1.00 0.00 C ATOM 434 O GLN A 31 -1.999 -7.545 4.966 1.00 0.00 O ATOM 435 CB GLN A 31 -1.043 -10.007 3.721 1.00 0.00 C ATOM 436 CG GLN A 31 -0.677 -11.168 2.811 1.00 0.00 C ATOM 437 CD GLN A 31 -0.734 -12.507 3.521 1.00 0.00 C ATOM 438 OE1 GLN A 31 -0.485 -12.596 4.723 1.00 0.00 O ATOM 439 NE2 GLN A 31 -1.064 -13.557 2.779 1.00 0.00 N ATOM 0 H GLN A 31 0.350 -7.603 3.433 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.876 -8.965 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.217 -9.820 4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.904 -10.289 4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.356 -11.184 1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.327 -11.013 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.262 -13.437 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.119 -14.483 3.202 1.00 0.00 H new ATOM 448 N LEU A 32 -3.404 -7.426 3.212 1.00 0.00 N ATOM 449 CA LEU A 32 -4.372 -6.583 3.905 1.00 0.00 C ATOM 450 C LEU A 32 -5.363 -7.429 4.697 1.00 0.00 C ATOM 451 O LEU A 32 -5.684 -8.560 4.330 1.00 0.00 O ATOM 452 CB LEU A 32 -5.122 -5.704 2.903 1.00 0.00 C ATOM 453 CG LEU A 32 -5.831 -6.438 1.764 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.221 -6.877 2.196 1.00 0.00 C ATOM 455 CD2 LEU A 32 -5.908 -5.556 0.527 1.00 0.00 C ATOM 0 H LEU A 32 -3.659 -7.660 2.253 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.828 -5.946 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.863 -5.118 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.414 -4.998 2.468 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.253 -7.328 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.710 -7.398 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.141 -7.547 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.809 -6.002 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.416 -6.095 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.463 -4.648 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.901 -5.293 0.205 1.00 0.00 H new ATOM 467 N PRO A 33 -5.862 -6.870 5.810 1.00 0.00 N ATOM 468 CA PRO A 33 -6.827 -7.555 6.676 1.00 0.00 C ATOM 469 C PRO A 33 -8.194 -7.702 6.018 1.00 0.00 C ATOM 470 O PRO A 33 -8.397 -7.267 4.885 1.00 0.00 O ATOM 471 CB PRO A 33 -6.917 -6.640 7.899 1.00 0.00 C ATOM 472 CG PRO A 33 -6.538 -5.291 7.393 1.00 0.00 C ATOM 473 CD PRO A 33 -5.524 -5.526 6.308 1.00 0.00 C ATOM 0 HA PRO A 33 -6.514 -8.573 6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.923 -6.637 8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.243 -6.969 8.690 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.408 -4.761 7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.120 -4.678 8.191 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.597 -4.776 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.506 -5.485 6.694 1.00 0.00 H new ATOM 598 N LEU A 42 -13.728 -6.830 -1.921 1.00 0.00 N ATOM 599 CA LEU A 42 -13.546 -5.767 -0.939 1.00 0.00 C ATOM 600 C LEU A 42 -14.347 -4.527 -1.325 1.00 0.00 C ATOM 601 O LEU A 42 -15.307 -4.160 -0.648 1.00 0.00 O ATOM 602 CB LEU A 42 -12.064 -5.411 -0.811 1.00 0.00 C ATOM 603 CG LEU A 42 -11.112 -6.582 -0.563 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.672 -6.097 -0.513 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.478 -7.304 0.726 1.00 0.00 C ATOM 0 HA LEU A 42 -13.910 -6.128 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.753 -4.903 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.951 -4.698 0.006 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.209 -7.285 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.009 -6.944 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.414 -5.626 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.560 -5.373 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.790 -8.134 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.410 -6.610 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.496 -7.686 0.653 1.00 0.00 H new ATOM 617 N GLY A 43 -13.946 -3.887 -2.419 1.00 0.00 N ATOM 618 CA GLY A 43 -14.638 -2.697 -2.877 1.00 0.00 C ATOM 619 C GLY A 43 -15.159 -1.852 -1.732 1.00 0.00 C ATOM 620 O GLY A 43 -16.365 -1.787 -1.497 1.00 0.00 O ATOM 0 H GLY A 43 -13.154 -4.171 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.961 -2.099 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.471 -2.988 -3.517 1.00 0.00 H new ATOM 624 N GLY A 44 -14.247 -1.203 -1.014 1.00 0.00 N ATOM 625 CA GLY A 44 -14.641 -0.368 0.106 1.00 0.00 C ATOM 626 C GLY A 44 -13.450 0.224 0.834 1.00 0.00 C ATOM 627 O GLY A 44 -13.558 1.279 1.460 1.00 0.00 O ATOM 0 H GLY A 44 -13.243 -1.241 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.281 0.438 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.234 -0.958 0.805 1.00 0.00 H new ATOM 631 N TYR A 45 -12.313 -0.458 0.756 1.00 0.00 N ATOM 632 CA TYR A 45 -11.098 0.005 1.416 1.00 0.00 C ATOM 633 C TYR A 45 -10.667 1.365 0.876 1.00 0.00 C ATOM 634 O TYR A 45 -10.576 1.563 -0.336 1.00 0.00 O ATOM 635 CB TYR A 45 -9.971 -1.012 1.227 1.00 0.00 C ATOM 636 CG TYR A 45 -9.918 -2.066 2.310 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.591 -1.731 3.618 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.196 -3.398 2.024 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.541 -2.691 4.610 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.150 -4.364 3.010 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.822 -4.006 4.301 1.00 0.00 C ATOM 642 OH TYR A 45 -9.773 -4.966 5.286 1.00 0.00 O ATOM 0 H TYR A 45 -12.207 -1.333 0.243 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.311 0.109 2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.093 -1.502 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.018 -0.484 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.372 -0.702 3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.452 -3.682 1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.283 -2.414 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.370 -5.394 2.771 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.368 -5.783 4.927 1.00 0.00 H new ATOM 652 N SER A 46 -10.403 2.299 1.784 1.00 0.00 N ATOM 653 CA SER A 46 -9.985 3.642 1.399 1.00 0.00 C ATOM 654 C SER A 46 -8.494 3.675 1.076 1.00 0.00 C ATOM 655 O SER A 46 -7.664 3.253 1.882 1.00 0.00 O ATOM 656 CB SER A 46 -10.298 4.636 2.519 1.00 0.00 C ATOM 657 OG SER A 46 -11.613 5.148 2.394 1.00 0.00 O ATOM 0 H SER A 46 -10.471 2.151 2.791 1.00 0.00 H new ATOM 0 HA SER A 46 -10.539 3.927 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.186 4.146 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.581 5.456 2.492 1.00 0.00 H new ATOM 0 HG SER A 46 -11.789 5.779 3.123 1.00 0.00 H new ATOM 663 N ILE A 47 -8.163 4.180 -0.107 1.00 0.00 N ATOM 664 CA ILE A 47 -6.773 4.270 -0.537 1.00 0.00 C ATOM 665 C ILE A 47 -5.848 4.536 0.645 1.00 0.00 C ATOM 666 O ILE A 47 -4.854 3.837 0.839 1.00 0.00 O ATOM 667 CB ILE A 47 -6.579 5.380 -1.587 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.436 5.099 -2.823 1.00 0.00 C ATOM 669 CG2 ILE A 47 -5.111 5.497 -1.968 1.00 0.00 C ATOM 670 CD1 ILE A 47 -7.035 3.841 -3.562 1.00 0.00 C ATOM 0 H ILE A 47 -8.838 4.533 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.519 3.309 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.899 6.328 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.480 5.016 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.368 5.948 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.990 6.285 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.523 5.739 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.767 4.550 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.685 3.704 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.001 3.929 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.130 2.982 -2.897 1.00 0.00 H new ATOM 682 N SER A 48 -6.184 5.551 1.435 1.00 0.00 N ATOM 683 CA SER A 48 -5.382 5.912 2.599 1.00 0.00 C ATOM 684 C SER A 48 -4.972 4.669 3.382 1.00 0.00 C ATOM 685 O SER A 48 -3.794 4.472 3.684 1.00 0.00 O ATOM 686 CB SER A 48 -6.162 6.866 3.506 1.00 0.00 C ATOM 687 OG SER A 48 -5.288 7.745 4.193 1.00 0.00 O ATOM 0 H SER A 48 -7.006 6.138 1.291 1.00 0.00 H new ATOM 0 HA SER A 48 -4.480 6.413 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.869 7.443 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.746 6.293 4.226 1.00 0.00 H new ATOM 0 HG SER A 48 -5.811 8.345 4.765 1.00 0.00 H new ATOM 693 N PHE A 49 -5.952 3.833 3.708 1.00 0.00 N ATOM 694 CA PHE A 49 -5.694 2.608 4.457 1.00 0.00 C ATOM 695 C PHE A 49 -4.458 1.892 3.921 1.00 0.00 C ATOM 696 O PHE A 49 -3.541 1.562 4.674 1.00 0.00 O ATOM 697 CB PHE A 49 -6.907 1.678 4.388 1.00 0.00 C ATOM 698 CG PHE A 49 -6.728 0.402 5.159 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.480 0.429 6.522 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.809 -0.826 4.522 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.314 -0.744 7.234 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.645 -2.002 5.228 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.398 -1.961 6.587 1.00 0.00 C ATOM 0 H PHE A 49 -6.932 3.981 3.466 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.512 2.879 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.781 2.205 4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.111 1.437 3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.416 1.378 7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.003 -0.864 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.119 -0.709 8.296 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.710 -2.952 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.271 -2.879 7.142 1.00 0.00 H new ATOM 713 N LEU A 50 -4.441 1.653 2.614 1.00 0.00 N ATOM 714 CA LEU A 50 -3.319 0.975 1.974 1.00 0.00 C ATOM 715 C LEU A 50 -2.027 1.763 2.164 1.00 0.00 C ATOM 716 O LEU A 50 -1.021 1.226 2.629 1.00 0.00 O ATOM 717 CB LEU A 50 -3.597 0.781 0.483 1.00 0.00 C ATOM 718 CG LEU A 50 -4.391 -0.470 0.105 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.785 -0.429 -1.363 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.584 -1.724 0.408 1.00 0.00 C ATOM 0 H LEU A 50 -5.192 1.919 1.977 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.200 -0.001 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.138 1.654 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.643 0.754 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.302 -0.494 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.349 -1.327 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.401 0.450 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.887 -0.381 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.164 -2.605 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.656 -1.707 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.353 -1.760 1.473 1.00 0.00 H new ATOM 732 N LYS A 51 -2.061 3.042 1.803 1.00 0.00 N ATOM 733 CA LYS A 51 -0.895 3.907 1.936 1.00 0.00 C ATOM 734 C LYS A 51 -0.279 3.779 3.326 1.00 0.00 C ATOM 735 O LYS A 51 0.879 4.140 3.536 1.00 0.00 O ATOM 736 CB LYS A 51 -1.282 5.363 1.670 1.00 0.00 C ATOM 737 CG LYS A 51 -1.513 5.673 0.202 1.00 0.00 C ATOM 738 CD LYS A 51 -2.442 6.861 0.022 1.00 0.00 C ATOM 739 CE LYS A 51 -1.668 8.169 -0.046 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.461 9.311 0.488 1.00 0.00 N ATOM 0 H LYS A 51 -2.885 3.502 1.416 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.155 3.594 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.188 5.597 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.495 6.014 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.558 5.880 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.938 4.800 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.024 6.734 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.150 6.899 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.742 8.073 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.389 8.373 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.899 10.184 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.333 9.419 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.706 9.129 1.482 1.00 0.00 H new ATOM 754 N GLN A 52 -1.059 3.261 4.269 1.00 0.00 N ATOM 755 CA GLN A 52 -0.588 3.085 5.638 1.00 0.00 C ATOM 756 C GLN A 52 0.075 1.723 5.815 1.00 0.00 C ATOM 757 O GLN A 52 1.160 1.618 6.389 1.00 0.00 O ATOM 758 CB GLN A 52 -1.750 3.232 6.622 1.00 0.00 C ATOM 759 CG GLN A 52 -2.454 4.576 6.535 1.00 0.00 C ATOM 760 CD GLN A 52 -3.036 5.017 7.864 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.042 4.258 8.834 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.529 6.249 7.916 1.00 0.00 N ATOM 0 H GLN A 52 -2.019 2.956 4.111 1.00 0.00 H new ATOM 0 HA GLN A 52 0.153 3.858 5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.475 2.439 6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.376 3.092 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.749 5.329 6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.252 4.517 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.503 6.844 7.088 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.933 6.600 8.784 1.00 0.00 H new ATOM 771 N LEU A 53 -0.584 0.681 5.319 1.00 0.00 N ATOM 772 CA LEU A 53 -0.059 -0.676 5.422 1.00 0.00 C ATOM 773 C LEU A 53 1.284 -0.796 4.708 1.00 0.00 C ATOM 774 O LEU A 53 2.258 -1.288 5.277 1.00 0.00 O ATOM 775 CB LEU A 53 -1.055 -1.675 4.832 1.00 0.00 C ATOM 776 CG LEU A 53 -2.297 -1.963 5.675 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.410 -0.983 5.337 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.764 -3.396 5.466 1.00 0.00 C ATOM 0 H LEU A 53 -1.483 0.750 4.842 1.00 0.00 H new ATOM 0 HA LEU A 53 0.091 -0.902 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.379 -1.303 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.534 -2.616 4.656 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.036 -1.837 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.286 -1.203 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.073 0.034 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.669 -1.076 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.649 -3.583 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.007 -3.550 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.971 -4.084 5.759 1.00 0.00 H new ATOM 790 N ILE A 54 1.327 -0.341 3.461 1.00 0.00 N ATOM 791 CA ILE A 54 2.551 -0.395 2.671 1.00 0.00 C ATOM 792 C ILE A 54 3.696 0.319 3.381 1.00 0.00 C ATOM 793 O ILE A 54 4.803 -0.208 3.482 1.00 0.00 O ATOM 794 CB ILE A 54 2.352 0.236 1.280 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.378 -0.604 0.450 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.687 0.371 0.563 1.00 0.00 C ATOM 797 CD1 ILE A 54 -0.065 -0.176 0.597 1.00 0.00 C ATOM 0 H ILE A 54 0.529 0.069 2.976 1.00 0.00 H new ATOM 0 HA ILE A 54 2.802 -1.449 2.551 1.00 0.00 H new ATOM 0 HB ILE A 54 1.928 1.232 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.662 -0.542 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.470 -1.649 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.529 0.818 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.352 1.006 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.138 -0.614 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.698 -0.815 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.366 -0.264 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.172 0.860 0.275 1.00 0.00 H new ATOM 809 N ALA A 55 3.420 1.522 3.874 1.00 0.00 N ATOM 810 CA ALA A 55 4.425 2.308 4.579 1.00 0.00 C ATOM 811 C ALA A 55 5.009 1.527 5.751 1.00 0.00 C ATOM 812 O ALA A 55 6.194 1.645 6.060 1.00 0.00 O ATOM 813 CB ALA A 55 3.826 3.620 5.063 1.00 0.00 C ATOM 0 H ALA A 55 2.509 1.973 3.798 1.00 0.00 H new ATOM 0 HA ALA A 55 5.234 2.526 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.588 4.196 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.463 4.191 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.997 3.414 5.740 1.00 0.00 H new ATOM 819 N GLY A 56 4.169 0.729 6.403 1.00 0.00 N ATOM 820 CA GLY A 56 4.620 -0.059 7.535 1.00 0.00 C ATOM 821 C GLY A 56 5.450 -1.256 7.114 1.00 0.00 C ATOM 822 O GLY A 56 6.280 -1.747 7.880 1.00 0.00 O ATOM 0 H GLY A 56 3.183 0.614 6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.209 0.571 8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.755 -0.402 8.103 1.00 0.00 H new ATOM 826 N LYS A 57 5.225 -1.730 5.893 1.00 0.00 N ATOM 827 CA LYS A 57 5.958 -2.877 5.370 1.00 0.00 C ATOM 828 C LYS A 57 7.311 -2.450 4.811 1.00 0.00 C ATOM 829 O LYS A 57 8.275 -3.217 4.838 1.00 0.00 O ATOM 830 CB LYS A 57 5.142 -3.576 4.280 1.00 0.00 C ATOM 831 CG LYS A 57 4.163 -4.605 4.819 1.00 0.00 C ATOM 832 CD LYS A 57 4.879 -5.846 5.323 1.00 0.00 C ATOM 833 CE LYS A 57 5.368 -6.713 4.173 1.00 0.00 C ATOM 834 NZ LYS A 57 6.549 -7.533 4.560 1.00 0.00 N ATOM 0 H LYS A 57 4.540 -1.337 5.247 1.00 0.00 H new ATOM 0 HA LYS A 57 6.128 -3.573 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.592 -2.826 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.824 -4.065 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.581 -4.165 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.458 -4.884 4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.725 -5.552 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.205 -6.424 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.562 -7.369 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.628 -6.079 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.852 -8.110 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.327 -6.906 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.294 -8.157 5.352 1.00 0.00 H new ATOM 848 N LEU A 58 7.378 -1.223 4.307 1.00 0.00 N ATOM 849 CA LEU A 58 8.614 -0.693 3.743 1.00 0.00 C ATOM 850 C LEU A 58 9.304 0.245 4.728 1.00 0.00 C ATOM 851 O LEU A 58 10.040 1.147 4.329 1.00 0.00 O ATOM 852 CB LEU A 58 8.326 0.045 2.435 1.00 0.00 C ATOM 853 CG LEU A 58 7.344 -0.637 1.482 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.097 0.232 0.258 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.864 -2.006 1.070 1.00 0.00 C ATOM 0 H LEU A 58 6.590 -0.576 4.277 1.00 0.00 H new ATOM 0 HA LEU A 58 9.280 -1.531 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.938 1.035 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.269 0.192 1.909 1.00 0.00 H new ATOM 0 HG LEU A 58 6.396 -0.772 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.396 -0.270 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.680 1.189 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.038 0.400 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.152 -2.477 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.825 -1.894 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.988 -2.630 1.955 1.00 0.00 H new ATOM 867 N GLN A 59 9.061 0.025 6.017 1.00 0.00 N ATOM 868 CA GLN A 59 9.661 0.850 7.059 1.00 0.00 C ATOM 869 C GLN A 59 11.167 0.977 6.854 1.00 0.00 C ATOM 870 O GLN A 59 11.801 1.882 7.394 1.00 0.00 O ATOM 871 CB GLN A 59 9.370 0.257 8.438 1.00 0.00 C ATOM 872 CG GLN A 59 8.047 0.715 9.031 1.00 0.00 C ATOM 873 CD GLN A 59 8.056 0.719 10.547 1.00 0.00 C ATOM 874 OE1 GLN A 59 7.631 -0.244 11.184 1.00 0.00 O ATOM 875 NE2 GLN A 59 8.543 1.807 11.133 1.00 0.00 N ATOM 0 H GLN A 59 8.453 -0.717 6.364 1.00 0.00 H new ATOM 0 HA GLN A 59 9.220 1.845 6.999 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.368 -0.830 8.364 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.177 0.528 9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.820 1.718 8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.249 0.061 8.678 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.885 2.582 10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.575 1.867 12.151 1.00 0.00 H new ATOM 884 N GLU A 60 11.731 0.063 6.071 1.00 0.00 N ATOM 885 CA GLU A 60 13.164 0.073 5.796 1.00 0.00 C ATOM 886 C GLU A 60 13.575 1.366 5.098 1.00 0.00 C ATOM 887 O GLU A 60 14.628 1.933 5.388 1.00 0.00 O ATOM 888 CB GLU A 60 13.548 -1.131 4.933 1.00 0.00 C ATOM 889 CG GLU A 60 12.974 -1.080 3.527 1.00 0.00 C ATOM 890 CD GLU A 60 12.942 -2.441 2.861 1.00 0.00 C ATOM 891 OE1 GLU A 60 12.408 -3.389 3.475 1.00 0.00 O ATOM 892 OE2 GLU A 60 13.450 -2.560 1.726 1.00 0.00 O ATOM 0 H GLU A 60 11.219 -0.693 5.616 1.00 0.00 H new ATOM 0 HA GLU A 60 13.692 0.012 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.635 -1.191 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.206 -2.043 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.963 -0.675 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.568 -0.397 2.920 1.00 0.00 H new ATOM 899 N SER A 61 12.736 1.826 4.175 1.00 0.00 N ATOM 900 CA SER A 61 13.013 3.049 3.432 1.00 0.00 C ATOM 901 C SER A 61 11.994 4.133 3.770 1.00 0.00 C ATOM 902 O SER A 61 12.346 5.301 3.940 1.00 0.00 O ATOM 903 CB SER A 61 12.998 2.771 1.928 1.00 0.00 C ATOM 904 OG SER A 61 14.217 2.185 1.505 1.00 0.00 O ATOM 0 H SER A 61 11.859 1.370 3.924 1.00 0.00 H new ATOM 0 HA SER A 61 14.003 3.403 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.168 2.107 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.830 3.701 1.385 1.00 0.00 H new ATOM 0 HG SER A 61 14.181 2.016 0.540 1.00 0.00 H new ATOM 910 N VAL A 62 10.729 3.738 3.867 1.00 0.00 N ATOM 911 CA VAL A 62 9.657 4.674 4.186 1.00 0.00 C ATOM 912 C VAL A 62 9.678 5.050 5.663 1.00 0.00 C ATOM 913 O VAL A 62 9.523 4.207 6.547 1.00 0.00 O ATOM 914 CB VAL A 62 8.277 4.087 3.836 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.167 4.955 4.411 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.126 3.943 2.330 1.00 0.00 C ATOM 0 H VAL A 62 10.421 2.775 3.729 1.00 0.00 H new ATOM 0 HA VAL A 62 9.826 5.567 3.584 1.00 0.00 H new ATOM 0 HB VAL A 62 8.199 3.096 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.199 4.525 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.267 5.002 5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.239 5.960 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.145 3.527 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.224 4.921 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.901 3.278 1.949 1.00 0.00 H new ATOM 926 N PRO A 63 9.874 6.348 5.940 1.00 0.00 N ATOM 927 CA PRO A 63 9.918 6.867 7.311 1.00 0.00 C ATOM 928 C PRO A 63 8.554 6.826 7.991 1.00 0.00 C ATOM 929 O PRO A 63 8.419 6.313 9.101 1.00 0.00 O ATOM 930 CB PRO A 63 10.382 8.314 7.127 1.00 0.00 C ATOM 931 CG PRO A 63 9.962 8.674 5.744 1.00 0.00 C ATOM 932 CD PRO A 63 10.066 7.409 4.937 1.00 0.00 C ATOM 0 HA PRO A 63 10.571 6.274 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.924 8.973 7.864 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.462 8.402 7.248 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.943 9.061 5.734 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.603 9.454 5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.306 7.367 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.034 7.325 4.444 1.00 0.00 H new ATOM 940 N ASP A 64 7.547 7.370 7.317 1.00 0.00 N ATOM 941 CA ASP A 64 6.192 7.395 7.856 1.00 0.00 C ATOM 942 C ASP A 64 5.160 7.257 6.740 1.00 0.00 C ATOM 943 O ASP A 64 5.393 7.644 5.595 1.00 0.00 O ATOM 944 CB ASP A 64 5.952 8.691 8.631 1.00 0.00 C ATOM 945 CG ASP A 64 6.315 8.564 10.098 1.00 0.00 C ATOM 946 OD1 ASP A 64 5.781 7.653 10.764 1.00 0.00 O ATOM 947 OD2 ASP A 64 7.131 9.377 10.580 1.00 0.00 O ATOM 0 H ASP A 64 7.643 7.799 6.397 1.00 0.00 H new ATOM 0 HA ASP A 64 6.082 6.549 8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.538 9.493 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.903 8.975 8.542 1.00 0.00 H new ATOM 952 N PRO A 65 3.993 6.691 7.080 1.00 0.00 N ATOM 953 CA PRO A 65 2.903 6.488 6.121 1.00 0.00 C ATOM 954 C PRO A 65 2.255 7.800 5.694 1.00 0.00 C ATOM 955 O PRO A 65 1.495 7.842 4.727 1.00 0.00 O ATOM 956 CB PRO A 65 1.904 5.626 6.897 1.00 0.00 C ATOM 957 CG PRO A 65 2.171 5.933 8.330 1.00 0.00 C ATOM 958 CD PRO A 65 3.646 6.206 8.427 1.00 0.00 C ATOM 0 HA PRO A 65 3.254 6.030 5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.877 5.869 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.048 4.566 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.592 6.796 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.886 5.096 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.867 6.951 9.192 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.205 5.307 8.687 1.00 0.00 H new ATOM 966 N GLU A 66 2.561 8.871 6.421 1.00 0.00 N ATOM 967 CA GLU A 66 2.007 10.184 6.116 1.00 0.00 C ATOM 968 C GLU A 66 2.943 10.971 5.203 1.00 0.00 C ATOM 969 O GLU A 66 2.503 11.822 4.428 1.00 0.00 O ATOM 970 CB GLU A 66 1.756 10.969 7.405 1.00 0.00 C ATOM 971 CG GLU A 66 0.879 10.233 8.405 1.00 0.00 C ATOM 972 CD GLU A 66 0.061 11.174 9.267 1.00 0.00 C ATOM 973 OE1 GLU A 66 0.571 12.262 9.607 1.00 0.00 O ATOM 974 OE2 GLU A 66 -1.090 10.822 9.602 1.00 0.00 O ATOM 0 H GLU A 66 3.189 8.854 7.224 1.00 0.00 H new ATOM 0 HA GLU A 66 1.059 10.038 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.713 11.198 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.288 11.921 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.208 9.562 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.506 9.613 9.045 1.00 0.00 H new ATOM 981 N LEU A 67 4.236 10.682 5.300 1.00 0.00 N ATOM 982 CA LEU A 67 5.236 11.362 4.484 1.00 0.00 C ATOM 983 C LEU A 67 5.470 10.615 3.175 1.00 0.00 C ATOM 984 O LEU A 67 6.511 10.771 2.538 1.00 0.00 O ATOM 985 CB LEU A 67 6.551 11.488 5.255 1.00 0.00 C ATOM 986 CG LEU A 67 6.436 11.949 6.708 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.790 11.885 7.398 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.867 13.359 6.778 1.00 0.00 C ATOM 0 H LEU A 67 4.617 9.981 5.936 1.00 0.00 H new ATOM 0 HA LEU A 67 4.862 12.359 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.051 10.520 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.195 12.188 4.723 1.00 0.00 H new ATOM 0 HG LEU A 67 5.754 11.277 7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.688 12.217 8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.159 10.859 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.495 12.533 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.792 13.670 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.524 14.043 6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.877 13.375 6.323 1.00 0.00 H new ATOM 1000 N ILE A 68 4.494 9.804 2.780 1.00 0.00 N ATOM 1001 CA ILE A 68 4.593 9.036 1.545 1.00 0.00 C ATOM 1002 C ILE A 68 3.247 8.968 0.831 1.00 0.00 C ATOM 1003 O ILE A 68 2.225 9.392 1.370 1.00 0.00 O ATOM 1004 CB ILE A 68 5.093 7.604 1.812 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.204 6.915 2.850 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.541 7.626 2.278 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.036 6.168 2.245 1.00 0.00 C ATOM 0 H ILE A 68 3.626 9.662 3.297 1.00 0.00 H new ATOM 0 HA ILE A 68 5.313 9.551 0.909 1.00 0.00 H new ATOM 0 HB ILE A 68 5.040 7.038 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.809 6.218 3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.825 7.663 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.879 6.606 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.164 8.081 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.618 8.206 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.450 5.705 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.408 6.864 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.408 5.396 1.571 1.00 0.00 H new ATOM 1019 N ASP A 69 3.255 8.431 -0.384 1.00 0.00 N ATOM 1020 CA ASP A 69 2.035 8.304 -1.172 1.00 0.00 C ATOM 1021 C ASP A 69 2.043 7.011 -1.982 1.00 0.00 C ATOM 1022 O ASP A 69 3.046 6.297 -2.022 1.00 0.00 O ATOM 1023 CB ASP A 69 1.879 9.505 -2.106 1.00 0.00 C ATOM 1024 CG ASP A 69 1.769 10.815 -1.351 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.910 10.910 -0.450 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.541 11.746 -1.662 1.00 0.00 O ATOM 0 H ASP A 69 4.093 8.077 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 69 1.189 8.275 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.733 9.549 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.991 9.369 -2.723 1.00 0.00 H new ATOM 1031 N LEU A 70 0.919 6.715 -2.625 1.00 0.00 N ATOM 1032 CA LEU A 70 0.795 5.508 -3.434 1.00 0.00 C ATOM 1033 C LEU A 70 0.515 5.855 -4.893 1.00 0.00 C ATOM 1034 O LEU A 70 -0.305 6.725 -5.187 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.321 4.616 -2.887 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.312 3.162 -3.363 1.00 0.00 C ATOM 1037 CD1 LEU A 70 1.021 2.504 -3.044 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.457 2.387 -2.727 1.00 0.00 C ATOM 0 H LEU A 70 0.080 7.295 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 70 1.741 4.969 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.263 4.621 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.279 5.060 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.448 3.152 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.009 1.470 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.823 3.045 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.188 2.524 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.436 1.355 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.351 2.405 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.406 2.845 -3.006 1.00 0.00 H new ATOM 1050 N ILE A 71 1.201 5.169 -5.801 1.00 0.00 N ATOM 1051 CA ILE A 71 1.023 5.403 -7.229 1.00 0.00 C ATOM 1052 C ILE A 71 0.563 4.136 -7.941 1.00 0.00 C ATOM 1053 O ILE A 71 1.134 3.062 -7.749 1.00 0.00 O ATOM 1054 CB ILE A 71 2.324 5.903 -7.883 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.854 7.132 -7.142 1.00 0.00 C ATOM 1056 CG2 ILE A 71 2.089 6.223 -9.352 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.856 8.266 -7.061 1.00 0.00 C ATOM 0 H ILE A 71 1.885 4.447 -5.574 1.00 0.00 H new ATOM 0 HA ILE A 71 0.256 6.171 -7.330 1.00 0.00 H new ATOM 0 HB ILE A 71 3.073 5.113 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.143 6.841 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.755 7.487 -7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.018 6.575 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.753 5.325 -9.871 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.328 6.998 -9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.300 9.103 -6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.585 8.585 -8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.963 7.928 -6.534 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.471 4.268 -8.763 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.009 3.133 -9.504 1.00 0.00 C ATOM 1071 C TYR A 72 -1.450 3.555 -10.903 1.00 0.00 C ATOM 1072 O TYR A 72 -1.856 4.697 -11.119 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.188 2.517 -8.750 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.825 1.350 -9.470 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -3.852 1.549 -10.384 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.398 0.048 -9.238 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.437 0.486 -11.044 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -2.976 -1.021 -9.894 1.00 0.00 C ATOM 1079 CZ TYR A 72 -3.996 -0.797 -10.795 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.575 -1.859 -11.452 1.00 0.00 O ATOM 0 H TYR A 72 -0.954 5.150 -8.934 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.219 2.388 -9.601 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.848 2.186 -7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.943 3.285 -8.583 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.199 2.552 -10.582 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.600 -0.131 -8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.235 0.658 -11.751 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.631 -2.026 -9.703 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.149 -2.693 -11.164 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.368 2.625 -11.847 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.758 2.898 -13.226 1.00 0.00 C ATOM 1092 C CYS A 73 -1.195 4.236 -13.695 1.00 0.00 C ATOM 1093 O CYS A 73 -1.859 4.984 -14.411 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.282 2.899 -13.356 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.877 2.833 -15.062 1.00 0.00 S ATOM 0 H CYS A 73 -1.035 1.675 -11.683 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.347 2.110 -13.857 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.683 2.046 -12.809 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.676 3.797 -12.879 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.292 3.759 -15.762 1.00 0.00 H new ATOM 1101 N GLY A 74 0.034 4.532 -13.284 1.00 0.00 N ATOM 1102 CA GLY A 74 0.665 5.780 -13.670 1.00 0.00 C ATOM 1103 C GLY A 74 -0.096 6.993 -13.172 1.00 0.00 C ATOM 1104 O GLY A 74 -0.163 8.015 -13.854 1.00 0.00 O ATOM 0 H GLY A 74 0.604 3.929 -12.690 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.681 5.806 -13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.742 5.824 -14.756 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.671 6.880 -11.979 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.434 7.975 -11.392 1.00 0.00 C ATOM 1110 C ARG A 75 -1.540 7.812 -9.878 1.00 0.00 C ATOM 1111 O ARG A 75 -1.698 6.701 -9.372 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.832 8.039 -12.008 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.749 6.913 -11.558 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.199 7.198 -11.916 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.693 8.413 -11.273 1.00 0.00 N ATOM 1116 CZ ARG A 75 -5.592 9.623 -11.813 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -5.019 9.778 -12.998 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -6.065 10.680 -11.166 1.00 0.00 N ATOM 0 H ARG A 75 -0.623 6.041 -11.400 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.909 8.906 -11.605 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.290 8.994 -11.750 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.743 8.011 -13.094 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.435 5.979 -12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.659 6.778 -10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.293 7.296 -12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.819 6.352 -11.618 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.140 8.328 -10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.654 8.967 -13.498 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.943 10.708 -13.410 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.506 10.564 -10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.987 11.609 -11.581 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.453 8.927 -9.161 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.540 8.910 -7.706 1.00 0.00 C ATOM 1134 C LYS A 76 -2.947 8.539 -7.249 1.00 0.00 C ATOM 1135 O LYS A 76 -3.933 8.870 -7.909 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.151 10.276 -7.135 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.524 10.202 -5.754 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.824 11.448 -4.938 1.00 0.00 C ATOM 1139 CE LYS A 76 0.296 11.753 -3.955 1.00 0.00 C ATOM 1140 NZ LYS A 76 0.354 13.201 -3.611 1.00 0.00 N ATOM 0 H LYS A 76 -1.322 9.855 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.846 8.156 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.451 10.760 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.039 10.907 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.900 9.323 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.555 10.079 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.964 12.297 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.759 11.312 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.150 11.169 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.249 11.443 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.130 13.367 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.519 13.757 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.546 13.491 -3.179 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.034 7.851 -6.116 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.322 7.435 -5.570 1.00 0.00 C ATOM 1156 C LEU A 77 -4.692 8.273 -4.351 1.00 0.00 C ATOM 1157 O LEU A 77 -4.005 8.240 -3.329 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.284 5.954 -5.192 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.753 5.001 -6.264 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.674 3.581 -5.725 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.631 5.053 -7.506 1.00 0.00 C ATOM 0 H LEU A 77 -2.228 7.569 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.081 7.588 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.669 5.843 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.294 5.642 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.748 5.320 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.294 2.918 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.004 3.555 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.667 3.252 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.238 4.369 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.648 4.760 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.636 6.067 -7.906 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.783 9.023 -4.464 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.248 9.868 -3.370 1.00 0.00 C ATOM 1175 C LYS A 78 -6.969 9.040 -2.312 1.00 0.00 C ATOM 1176 O LYS A 78 -7.400 7.917 -2.576 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.180 10.959 -3.902 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.455 12.226 -4.323 1.00 0.00 C ATOM 1179 CD LYS A 78 -7.340 13.452 -4.169 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.239 14.039 -2.770 1.00 0.00 C ATOM 1181 NZ LYS A 78 -8.395 14.924 -2.455 1.00 0.00 N ATOM 0 H LYS A 78 -6.362 9.063 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.378 10.335 -2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.735 10.567 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.911 11.207 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.555 12.348 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.135 12.135 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.051 14.205 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.375 13.183 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.191 13.231 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.312 14.606 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.289 15.304 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.427 15.709 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.278 14.377 -2.516 1.00 0.00 H new ATOM 1195 N ASP A 79 -7.099 9.602 -1.115 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.771 8.916 -0.018 1.00 0.00 C ATOM 1197 C ASP A 79 -9.287 9.006 -0.167 1.00 0.00 C ATOM 1198 O ASP A 79 -10.034 8.391 0.594 1.00 0.00 O ATOM 1199 CB ASP A 79 -7.343 9.512 1.324 1.00 0.00 C ATOM 1200 CG ASP A 79 -8.432 9.417 2.374 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -8.865 8.287 2.679 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -8.852 10.474 2.891 1.00 0.00 O ATOM 0 H ASP A 79 -6.748 10.530 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.482 7.865 -0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.453 8.994 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.069 10.557 1.183 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.734 9.776 -1.153 1.00 0.00 N ATOM 1208 CA ASP A 80 -11.160 9.947 -1.403 1.00 0.00 C ATOM 1209 C ASP A 80 -11.659 8.929 -2.423 1.00 0.00 C ATOM 1210 O ASP A 80 -12.662 9.155 -3.099 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.447 11.366 -1.898 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.735 12.328 -0.763 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -12.746 12.129 -0.059 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -10.949 13.282 -0.579 1.00 0.00 O ATOM 0 H ASP A 80 -9.129 10.292 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.690 9.784 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.592 11.728 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.299 11.345 -2.578 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.952 7.808 -2.527 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.323 6.756 -3.466 1.00 0.00 C ATOM 1221 C GLN A 81 -11.173 5.379 -2.827 1.00 0.00 C ATOM 1222 O GLN A 81 -10.617 5.245 -1.737 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.462 6.842 -4.727 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.903 7.932 -5.691 1.00 0.00 C ATOM 1225 CD GLN A 81 -10.551 9.323 -5.200 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -9.789 9.482 -4.246 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.107 10.338 -5.850 1.00 0.00 N ATOM 0 H GLN A 81 -10.120 7.605 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.369 6.899 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.426 7.021 -4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.488 5.881 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.436 7.764 -6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.981 7.865 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.733 10.159 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.908 11.297 -5.564 1.00 0.00 H new ATOM 1236 N THR A 82 -11.675 4.356 -3.513 1.00 0.00 N ATOM 1237 CA THR A 82 -11.598 2.990 -3.012 1.00 0.00 C ATOM 1238 C THR A 82 -10.907 2.074 -4.016 1.00 0.00 C ATOM 1239 O THR A 82 -10.697 2.448 -5.171 1.00 0.00 O ATOM 1240 CB THR A 82 -12.998 2.427 -2.700 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.839 2.537 -3.854 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.631 3.168 -1.532 1.00 0.00 C ATOM 0 H THR A 82 -12.139 4.448 -4.417 1.00 0.00 H new ATOM 0 HA THR A 82 -11.014 3.023 -2.092 1.00 0.00 H new ATOM 0 HB THR A 82 -12.891 1.377 -2.428 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.726 2.175 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.619 2.753 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.003 3.057 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.725 4.225 -1.780 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.556 0.873 -3.570 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.888 -0.097 -4.430 1.00 0.00 C ATOM 1252 C LEU A 83 -10.694 -0.343 -5.702 1.00 0.00 C ATOM 1253 O LEU A 83 -10.134 -0.451 -6.793 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.681 -1.415 -3.682 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.524 -1.444 -2.681 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.198 -1.625 -3.404 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.509 -0.172 -1.846 1.00 0.00 C ATOM 0 H LEU A 83 -10.723 0.548 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.917 0.311 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.601 -1.656 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.520 -2.205 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.669 -2.292 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.386 -1.643 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.211 -2.564 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.045 -0.798 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.680 -0.210 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.389 0.691 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.448 -0.085 -1.299 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.011 -0.429 -5.554 1.00 0.00 N ATOM 1270 CA ASP A 84 -12.895 -0.658 -6.691 1.00 0.00 C ATOM 1271 C ASP A 84 -12.961 0.575 -7.585 1.00 0.00 C ATOM 1272 O ASP A 84 -12.722 0.495 -8.790 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.298 -1.029 -6.206 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.166 -1.585 -7.318 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.606 -0.794 -8.179 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -15.406 -2.811 -7.327 1.00 0.00 O ATOM 0 H ASP A 84 -12.490 -0.344 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.490 -1.485 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.220 -1.766 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.777 -0.147 -5.781 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.289 1.716 -6.988 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.389 2.967 -7.731 1.00 0.00 C ATOM 1283 C PHE A 85 -12.255 3.090 -8.744 1.00 0.00 C ATOM 1284 O PHE A 85 -12.460 3.546 -9.869 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.361 4.159 -6.771 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.429 5.489 -7.465 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -14.642 5.999 -7.897 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -12.278 6.229 -7.685 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -14.708 7.223 -8.536 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -12.338 7.454 -8.323 1.00 0.00 C ATOM 1291 CZ PHE A 85 -13.554 7.951 -8.750 1.00 0.00 C ATOM 0 H PHE A 85 -13.490 1.800 -5.992 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.336 2.965 -8.270 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -14.198 4.077 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.449 4.115 -6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -15.547 5.434 -7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -11.324 5.845 -7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.661 7.609 -8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.434 8.022 -8.487 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.602 8.907 -9.250 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.059 2.681 -8.337 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.891 2.747 -9.207 1.00 0.00 C ATOM 1303 C TYR A 86 -9.805 1.513 -10.099 1.00 0.00 C ATOM 1304 O TYR A 86 -9.311 1.578 -11.224 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.614 2.878 -8.374 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.243 4.308 -8.055 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -7.994 5.225 -9.070 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.142 4.744 -6.740 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.653 6.532 -8.783 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.804 6.051 -6.444 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.560 6.941 -7.469 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.222 8.243 -7.180 1.00 0.00 O ATOM 0 H TYR A 86 -10.873 2.300 -7.409 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.994 3.626 -9.843 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.740 2.328 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.790 2.409 -8.912 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.069 4.910 -10.100 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.331 4.049 -5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.460 7.231 -9.584 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.731 6.374 -5.416 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.864 8.613 -6.539 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.291 0.386 -9.587 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.261 -0.849 -10.349 1.00 0.00 C ATOM 1324 C GLY A 87 -9.041 -1.693 -10.038 1.00 0.00 C ATOM 1325 O GLY A 87 -8.381 -2.200 -10.945 1.00 0.00 O ATOM 0 H GLY A 87 -10.705 0.306 -8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.161 -1.425 -10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.276 -0.616 -11.414 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.740 -1.844 -8.753 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.591 -2.632 -8.325 1.00 0.00 C ATOM 1331 C ILE A 88 -8.011 -4.040 -7.917 1.00 0.00 C ATOM 1332 O ILE A 88 -9.084 -4.237 -7.347 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.859 -1.965 -7.145 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.347 -0.581 -7.551 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.710 -2.842 -6.671 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.278 0.399 -6.400 1.00 0.00 C ATOM 0 H ILE A 88 -9.276 -1.431 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.913 -2.690 -9.177 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.563 -1.845 -6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.355 -0.684 -7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.998 -0.174 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.202 -2.357 -5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.099 -3.808 -6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.004 -2.990 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.907 1.358 -6.761 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.273 0.531 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.604 0.014 -5.634 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.157 -5.015 -8.212 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.440 -6.405 -7.875 1.00 0.00 C ATOM 1350 C GLN A 89 -6.251 -7.046 -7.166 1.00 0.00 C ATOM 1351 O GLN A 89 -5.119 -6.567 -7.244 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.784 -7.198 -9.137 1.00 0.00 C ATOM 1353 CG GLN A 89 -7.079 -6.692 -10.385 1.00 0.00 C ATOM 1354 CD GLN A 89 -7.890 -5.654 -11.134 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -8.977 -5.942 -11.635 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -7.365 -4.437 -11.215 1.00 0.00 N ATOM 0 H GLN A 89 -6.264 -4.868 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.295 -6.422 -7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.522 -8.245 -8.981 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.861 -7.160 -9.298 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.117 -6.263 -10.105 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.873 -7.533 -11.047 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.461 -4.242 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.866 -3.697 -11.707 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.511 -8.155 -6.458 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.475 -8.885 -5.722 1.00 0.00 C ATOM 1367 C PRO A 90 -4.492 -9.590 -6.651 1.00 0.00 C ATOM 1368 O PRO A 90 -4.606 -10.791 -6.896 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.272 -9.909 -4.910 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.531 -10.107 -5.681 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.837 -8.782 -6.323 1.00 0.00 C ATOM 0 HA PRO A 90 -4.863 -8.220 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.722 -10.844 -4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.477 -9.543 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.409 -10.886 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.344 -10.420 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.323 -8.907 -7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.505 -8.181 -5.706 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.526 -8.836 -7.165 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.537 -9.407 -8.061 1.00 0.00 C ATOM 1381 C GLY A 91 -1.778 -8.348 -8.838 1.00 0.00 C ATOM 1382 O GLY A 91 -0.689 -8.606 -9.349 1.00 0.00 O ATOM 0 H GLY A 91 -3.410 -7.840 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.832 -10.006 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.031 -10.082 -8.760 1.00 0.00 H new ATOM 1386 N SER A 92 -2.357 -7.155 -8.928 1.00 0.00 N ATOM 1387 CA SER A 92 -1.731 -6.055 -9.653 1.00 0.00 C ATOM 1388 C SER A 92 -0.457 -5.597 -8.949 1.00 0.00 C ATOM 1389 O SER A 92 -0.100 -6.108 -7.887 1.00 0.00 O ATOM 1390 CB SER A 92 -2.705 -4.883 -9.783 1.00 0.00 C ATOM 1391 OG SER A 92 -3.073 -4.381 -8.510 1.00 0.00 O ATOM 0 H SER A 92 -3.258 -6.925 -8.508 1.00 0.00 H new ATOM 0 HA SER A 92 -1.467 -6.411 -10.649 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.246 -4.089 -10.372 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.596 -5.205 -10.322 1.00 0.00 H new ATOM 0 HG SER A 92 -3.683 -5.012 -8.073 1.00 0.00 H new ATOM 1397 N THR A 93 0.227 -4.627 -9.550 1.00 0.00 N ATOM 1398 CA THR A 93 1.462 -4.099 -8.984 1.00 0.00 C ATOM 1399 C THR A 93 1.394 -2.584 -8.835 1.00 0.00 C ATOM 1400 O THR A 93 1.152 -1.865 -9.804 1.00 0.00 O ATOM 1401 CB THR A 93 2.680 -4.464 -9.854 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.561 -5.812 -10.322 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.973 -4.308 -9.067 1.00 0.00 C ATOM 0 H THR A 93 -0.054 -4.192 -10.429 1.00 0.00 H new ATOM 0 HA THR A 93 1.579 -4.553 -8.000 1.00 0.00 H new ATOM 0 HB THR A 93 2.707 -3.785 -10.706 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.338 -6.036 -10.876 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.819 -4.571 -9.702 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.075 -3.274 -8.736 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.952 -4.966 -8.199 1.00 0.00 H new ATOM 1411 N VAL A 94 1.610 -2.104 -7.614 1.00 0.00 N ATOM 1412 CA VAL A 94 1.575 -0.672 -7.338 1.00 0.00 C ATOM 1413 C VAL A 94 2.975 -0.131 -7.068 1.00 0.00 C ATOM 1414 O VAL A 94 3.881 -0.878 -6.698 1.00 0.00 O ATOM 1415 CB VAL A 94 0.672 -0.355 -6.131 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.747 -0.841 -6.384 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.240 -0.976 -4.864 1.00 0.00 C ATOM 0 H VAL A 94 1.811 -2.686 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 94 1.166 -0.188 -8.225 1.00 0.00 H new ATOM 0 HB VAL A 94 0.641 0.726 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.371 -0.609 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.150 -0.344 -7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.739 -1.919 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.590 -0.742 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.302 -2.057 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.236 -0.574 -4.677 1.00 0.00 H new ATOM 1427 N HIS A 95 3.144 1.174 -7.256 1.00 0.00 N ATOM 1428 CA HIS A 95 4.434 1.817 -7.032 1.00 0.00 C ATOM 1429 C HIS A 95 4.334 2.866 -5.928 1.00 0.00 C ATOM 1430 O HIS A 95 3.498 3.767 -5.988 1.00 0.00 O ATOM 1431 CB HIS A 95 4.936 2.465 -8.323 1.00 0.00 C ATOM 1432 CG HIS A 95 5.312 1.476 -9.383 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.531 0.832 -9.413 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.621 1.019 -10.453 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.574 0.024 -10.457 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.427 0.119 -11.105 1.00 0.00 N ATOM 0 H HIS A 95 2.405 1.806 -7.563 1.00 0.00 H new ATOM 0 HA HIS A 95 5.144 1.052 -6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.162 3.126 -8.713 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.801 3.087 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.621 1.309 -10.741 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.406 -0.607 -10.734 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.180 -0.393 -11.952 1.00 0.00 H new ATOM 1445 N VAL A 96 5.191 2.741 -4.920 1.00 0.00 N ATOM 1446 CA VAL A 96 5.199 3.678 -3.803 1.00 0.00 C ATOM 1447 C VAL A 96 6.084 4.883 -4.103 1.00 0.00 C ATOM 1448 O VAL A 96 7.157 4.748 -4.693 1.00 0.00 O ATOM 1449 CB VAL A 96 5.691 3.004 -2.508 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.954 4.044 -1.431 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.681 1.971 -2.030 1.00 0.00 C ATOM 0 H VAL A 96 5.889 2.000 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 96 4.171 4.011 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 96 6.629 2.491 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.301 3.549 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.716 4.742 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.034 4.588 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.044 1.504 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.726 2.459 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.549 1.209 -2.798 1.00 0.00 H new ATOM 1461 N LEU A 97 5.628 6.061 -3.692 1.00 0.00 N ATOM 1462 CA LEU A 97 6.379 7.292 -3.915 1.00 0.00 C ATOM 1463 C LEU A 97 6.373 8.168 -2.666 1.00 0.00 C ATOM 1464 O LEU A 97 5.319 8.618 -2.217 1.00 0.00 O ATOM 1465 CB LEU A 97 5.789 8.065 -5.096 1.00 0.00 C ATOM 1466 CG LEU A 97 6.730 9.050 -5.791 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.134 10.164 -4.839 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.960 8.328 -6.322 1.00 0.00 C ATOM 0 H LEU A 97 4.742 6.190 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 97 7.410 7.023 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.437 7.346 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.915 8.614 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 97 6.201 9.494 -6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.804 10.855 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.244 10.699 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.644 9.737 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.618 9.044 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.490 7.856 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.654 7.566 -7.039 1.00 0.00 H new ATOM 1480 N ARG A 98 7.557 8.407 -2.112 1.00 0.00 N ATOM 1481 CA ARG A 98 7.688 9.230 -0.916 1.00 0.00 C ATOM 1482 C ARG A 98 7.708 10.713 -1.275 1.00 0.00 C ATOM 1483 O ARG A 98 8.383 11.125 -2.219 1.00 0.00 O ATOM 1484 CB ARG A 98 8.963 8.862 -0.155 1.00 0.00 C ATOM 1485 CG ARG A 98 10.222 9.476 -0.743 1.00 0.00 C ATOM 1486 CD ARG A 98 11.410 9.315 0.193 1.00 0.00 C ATOM 1487 NE ARG A 98 12.673 9.226 -0.536 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.776 8.686 -0.031 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.773 8.189 1.199 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.887 8.642 -0.756 1.00 0.00 N ATOM 0 H ARG A 98 8.439 8.043 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 98 6.824 9.040 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.863 9.183 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.069 7.777 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.445 9.005 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.054 10.535 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.447 10.160 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.276 8.418 0.798 1.00 0.00 H new ATOM 0 HE ARG A 98 12.709 9.599 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.922 8.221 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.622 7.775 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.894 9.023 -1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.734 8.227 -0.367 1.00 0.00 H new