USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= 0 X(o=-0.72,f=-0.78) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.717 K(o=-0.72,f=-1.5) USER MOD Single : A 16 THR OG1 : rot 40:sc= 0.728 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 160:sc= -0.302 (180deg=-1.04) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 29:sc= 0.288 USER MOD Single : A 37 GLN : amide:sc= -4.42! C(o=-4.4!,f=-5.8!) USER MOD Single : A 43 SER OG : rot -140:sc= -7.32! USER MOD Single : A 44 MET CE :methyl 180:sc= -0.488 (180deg=-0.488) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 46 ASN : amide:sc= -0.598 X(o=-0.6,f=-0.23) USER MOD Single : A 51 ASN : amide:sc= -1.27 K(o=-1.3,f=-1.9!) USER MOD Single : A 54 THR OG1 : rot 63:sc= -0.476 USER MOD Single : A 58 LYS NZ :NH3+ 142:sc= -0.912 (180deg=-0.974) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.0515 X(o=0.051,f=-0.29) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -166:sc= -0.086 (180deg=-0.696) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -136:sc= -1.77 (180deg=-3.54!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.872 -1.941 -5.147 1.00 0.00 N ATOM 191 CA THR A 16 -10.711 -0.897 -4.574 1.00 0.00 C ATOM 192 C THR A 16 -11.579 -1.446 -3.446 1.00 0.00 C ATOM 193 O THR A 16 -12.612 -2.069 -3.693 1.00 0.00 O ATOM 194 CB THR A 16 -11.620 -0.258 -5.641 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.413 -1.267 -6.277 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.794 0.478 -6.685 1.00 0.00 C ATOM 0 HA THR A 16 -10.040 -0.136 -4.175 1.00 0.00 H new ATOM 0 HB THR A 16 -12.275 0.460 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.712 -1.918 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.457 0.921 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.214 1.264 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.118 -0.223 -7.174 1.00 0.00 H new ATOM 204 N ILE A 17 -11.153 -1.209 -2.210 1.00 0.00 N ATOM 205 CA ILE A 17 -11.892 -1.679 -1.045 1.00 0.00 C ATOM 206 C ILE A 17 -12.123 -0.548 -0.048 1.00 0.00 C ATOM 207 O ILE A 17 -11.173 0.038 0.471 1.00 0.00 O ATOM 208 CB ILE A 17 -11.155 -2.830 -0.337 1.00 0.00 C ATOM 209 CG1 ILE A 17 -10.996 -4.022 -1.283 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.903 -3.243 0.922 1.00 0.00 C ATOM 211 CD1 ILE A 17 -9.855 -4.942 -0.910 1.00 0.00 C ATOM 0 H ILE A 17 -10.300 -0.695 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.853 -2.043 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.162 -2.483 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.924 -4.593 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.838 -3.653 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.369 -4.058 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.969 -2.393 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.907 -3.574 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.802 -5.764 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.918 -4.385 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.021 -5.341 0.091 1.00 0.00 H new ATOM 223 N ILE A 18 -13.390 -0.248 0.215 1.00 0.00 N ATOM 224 CA ILE A 18 -13.745 0.810 1.152 1.00 0.00 C ATOM 225 C ILE A 18 -13.925 0.258 2.563 1.00 0.00 C ATOM 226 O ILE A 18 -14.555 -0.782 2.759 1.00 0.00 O ATOM 227 CB ILE A 18 -15.039 1.529 0.726 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.859 2.176 -0.649 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.431 2.572 1.761 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.767 3.221 -0.687 1.00 0.00 C ATOM 0 H ILE A 18 -14.188 -0.723 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.922 1.525 1.146 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.841 0.794 0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.633 1.400 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.800 2.635 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.347 3.071 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.595 2.086 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.632 3.307 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.696 3.637 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -14.001 4.017 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.816 2.763 -0.416 1.00 0.00 H new ATOM 242 N LEU A 19 -13.368 0.962 3.542 1.00 0.00 N ATOM 243 CA LEU A 19 -13.468 0.544 4.937 1.00 0.00 C ATOM 244 C LEU A 19 -14.464 1.415 5.696 1.00 0.00 C ATOM 245 O LEU A 19 -14.475 2.640 5.574 1.00 0.00 O ATOM 246 CB LEU A 19 -12.096 0.613 5.610 1.00 0.00 C ATOM 247 CG LEU A 19 -11.859 -0.375 6.753 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.891 -1.805 6.238 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.535 -0.084 7.443 1.00 0.00 C ATOM 0 H LEU A 19 -12.843 1.824 3.397 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.825 -0.486 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.332 0.449 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.952 1.623 5.994 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.660 -0.256 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.720 -2.494 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.864 -2.009 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.112 -1.939 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.383 -0.797 8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.722 -0.174 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.550 0.928 7.848 1.00 0.00 H new ATOM 261 N PRO A 20 -15.320 0.769 6.502 1.00 0.00 N ATOM 262 CA PRO A 20 -16.334 1.466 7.300 1.00 0.00 C ATOM 263 C PRO A 20 -15.721 2.275 8.437 1.00 0.00 C ATOM 264 O PRO A 20 -14.502 2.305 8.602 1.00 0.00 O ATOM 265 CB PRO A 20 -17.192 0.326 7.856 1.00 0.00 C ATOM 266 CG PRO A 20 -16.285 -0.856 7.874 1.00 0.00 C ATOM 267 CD PRO A 20 -15.364 -0.690 6.697 1.00 0.00 C ATOM 0 HA PRO A 20 -16.894 2.189 6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.560 0.558 8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -18.065 0.146 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.722 -0.902 8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.852 -1.784 7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.374 -1.098 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.745 -1.202 5.813 1.00 0.00 H new ATOM 275 N GLU A 21 -16.575 2.930 9.218 1.00 0.00 N ATOM 276 CA GLU A 21 -16.115 3.740 10.340 1.00 0.00 C ATOM 277 C GLU A 21 -16.060 2.914 11.622 1.00 0.00 C ATOM 278 O GLU A 21 -16.082 3.458 12.726 1.00 0.00 O ATOM 279 CB GLU A 21 -17.036 4.947 10.537 1.00 0.00 C ATOM 280 CG GLU A 21 -18.477 4.570 10.838 1.00 0.00 C ATOM 281 CD GLU A 21 -19.307 5.755 11.291 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.028 6.293 12.382 1.00 0.00 O ATOM 283 OE2 GLU A 21 -20.236 6.144 10.552 1.00 0.00 O ATOM 0 H GLU A 21 -17.587 2.916 9.094 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.109 4.092 10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.651 5.558 11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.011 5.563 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.928 4.134 9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.494 3.802 11.612 1.00 0.00 H new ATOM 290 N ASP A 22 -15.988 1.597 11.466 1.00 0.00 N ATOM 291 CA ASP A 22 -15.929 0.694 12.610 1.00 0.00 C ATOM 292 C ASP A 22 -14.544 0.066 12.736 1.00 0.00 C ATOM 293 O ASP A 22 -14.229 -0.568 13.744 1.00 0.00 O ATOM 294 CB ASP A 22 -16.989 -0.401 12.478 1.00 0.00 C ATOM 295 CG ASP A 22 -18.309 -0.009 13.112 1.00 0.00 C ATOM 296 OD1 ASP A 22 -18.409 -0.064 14.355 1.00 0.00 O ATOM 297 OD2 ASP A 22 -19.242 0.352 12.364 1.00 0.00 O ATOM 0 H ASP A 22 -15.969 1.131 10.559 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.128 1.275 13.511 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.148 -0.623 11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.623 -1.315 12.945 1.00 0.00 H new ATOM 302 N ILE A 23 -13.723 0.247 11.708 1.00 0.00 N ATOM 303 CA ILE A 23 -12.372 -0.301 11.704 1.00 0.00 C ATOM 304 C ILE A 23 -11.350 0.751 12.122 1.00 0.00 C ATOM 305 O ILE A 23 -11.524 1.939 11.853 1.00 0.00 O ATOM 306 CB ILE A 23 -11.990 -0.849 10.316 1.00 0.00 C ATOM 307 CG1 ILE A 23 -13.236 -1.349 9.581 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.965 -1.965 10.451 1.00 0.00 C ATOM 309 CD1 ILE A 23 -14.143 -2.202 10.440 1.00 0.00 C ATOM 0 H ILE A 23 -13.969 0.769 10.867 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.362 -1.120 12.424 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.546 -0.043 9.733 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.799 -0.492 9.212 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.927 -1.926 8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.705 -2.342 9.462 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.070 -1.580 10.939 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.385 -2.774 11.049 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.005 -2.521 9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.596 -3.079 10.787 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.482 -1.622 11.298 1.00 0.00 H new ATOM 321 N GLU A 24 -10.284 0.305 12.778 1.00 0.00 N ATOM 322 CA GLU A 24 -9.234 1.209 13.231 1.00 0.00 C ATOM 323 C GLU A 24 -8.039 1.175 12.282 1.00 0.00 C ATOM 324 O GLU A 24 -7.470 0.115 12.019 1.00 0.00 O ATOM 325 CB GLU A 24 -8.785 0.837 14.646 1.00 0.00 C ATOM 326 CG GLU A 24 -7.449 1.444 15.041 1.00 0.00 C ATOM 327 CD GLU A 24 -7.127 1.241 16.509 1.00 0.00 C ATOM 328 OE1 GLU A 24 -7.808 1.857 17.355 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.194 0.468 16.810 1.00 0.00 O ATOM 0 H GLU A 24 -10.125 -0.676 13.008 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.641 2.220 13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.546 1.161 15.356 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.718 -0.248 14.723 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.659 1.000 14.435 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.459 2.511 14.819 1.00 0.00 H new ATOM 336 N LEU A 25 -7.666 2.343 11.770 1.00 0.00 N ATOM 337 CA LEU A 25 -6.540 2.448 10.848 1.00 0.00 C ATOM 338 C LEU A 25 -5.279 2.900 11.579 1.00 0.00 C ATOM 339 O LEU A 25 -5.258 3.958 12.209 1.00 0.00 O ATOM 340 CB LEU A 25 -6.868 3.428 9.720 1.00 0.00 C ATOM 341 CG LEU A 25 -7.770 2.893 8.608 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.015 3.965 7.557 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.157 1.652 7.974 1.00 0.00 C ATOM 0 H LEU A 25 -8.126 3.229 11.977 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.358 1.461 10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.344 4.306 10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.932 3.762 9.272 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.729 2.617 9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.659 3.566 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.498 4.825 8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.064 4.273 7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.813 1.285 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.184 1.902 7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.034 0.879 8.732 1.00 0.00 H new ATOM 355 N LYS A 26 -4.228 2.093 11.488 1.00 0.00 N ATOM 356 CA LYS A 26 -2.961 2.410 12.137 1.00 0.00 C ATOM 357 C LYS A 26 -1.959 2.968 11.131 1.00 0.00 C ATOM 358 O LYS A 26 -1.916 2.560 9.970 1.00 0.00 O ATOM 359 CB LYS A 26 -2.383 1.163 12.810 1.00 0.00 C ATOM 360 CG LYS A 26 -3.216 0.660 13.976 1.00 0.00 C ATOM 361 CD LYS A 26 -3.070 -0.842 14.159 1.00 0.00 C ATOM 362 CE LYS A 26 -4.091 -1.607 13.332 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.987 -3.077 13.543 1.00 0.00 N ATOM 0 H LYS A 26 -4.228 1.214 10.971 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.150 3.170 12.895 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.294 0.369 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.376 1.385 13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.910 1.170 14.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.264 0.907 13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.064 -1.148 13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.191 -1.095 15.212 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.095 -1.273 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.946 -1.381 12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.700 -3.562 12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.038 -3.401 13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.151 -3.296 14.546 1.00 0.00 H new ATOM 377 N PRO A 27 -1.133 3.922 11.585 1.00 0.00 N ATOM 378 CA PRO A 27 -0.115 4.555 10.740 1.00 0.00 C ATOM 379 C PRO A 27 1.021 3.601 10.389 1.00 0.00 C ATOM 380 O PRO A 27 1.910 3.350 11.205 1.00 0.00 O ATOM 381 CB PRO A 27 0.401 5.705 11.609 1.00 0.00 C ATOM 382 CG PRO A 27 0.134 5.272 13.009 1.00 0.00 C ATOM 383 CD PRO A 27 -1.128 4.457 12.957 1.00 0.00 C ATOM 0 HA PRO A 27 -0.522 4.876 9.781 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.464 5.879 11.445 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.114 6.637 11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.963 4.683 13.400 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.016 6.132 13.668 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.122 3.659 13.699 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.009 5.068 13.153 1.00 0.00 H new ATOM 391 N LEU A 28 0.988 3.071 9.171 1.00 0.00 N ATOM 392 CA LEU A 28 2.017 2.145 8.711 1.00 0.00 C ATOM 393 C LEU A 28 3.319 2.880 8.413 1.00 0.00 C ATOM 394 O LEU A 28 4.406 2.376 8.692 1.00 0.00 O ATOM 395 CB LEU A 28 1.540 1.402 7.462 1.00 0.00 C ATOM 396 CG LEU A 28 2.634 0.932 6.502 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.115 -0.182 5.607 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.146 2.096 5.666 1.00 0.00 C ATOM 0 H LEU A 28 0.260 3.267 8.484 1.00 0.00 H new ATOM 0 HA LEU A 28 2.203 1.424 9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.964 0.532 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.859 2.053 6.914 1.00 0.00 H new ATOM 0 HG LEU A 28 3.464 0.541 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.907 -0.504 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.798 -1.025 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.268 0.183 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.924 1.743 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.324 2.517 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.557 2.863 6.323 1.00 0.00 H new ATOM 410 N GLY A 29 3.201 4.078 7.847 1.00 0.00 N ATOM 411 CA GLY A 29 4.376 4.865 7.523 1.00 0.00 C ATOM 412 C GLY A 29 4.054 6.046 6.629 1.00 0.00 C ATOM 413 O GLY A 29 2.984 6.642 6.739 1.00 0.00 O ATOM 0 H GLY A 29 2.312 4.517 7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.834 5.225 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.111 4.229 7.029 1.00 0.00 H new ATOM 417 N MET A 30 4.985 6.385 5.743 1.00 0.00 N ATOM 418 CA MET A 30 4.794 7.504 4.827 1.00 0.00 C ATOM 419 C MET A 30 5.592 7.297 3.543 1.00 0.00 C ATOM 420 O MET A 30 6.680 6.722 3.562 1.00 0.00 O ATOM 421 CB MET A 30 5.212 8.815 5.495 1.00 0.00 C ATOM 422 CG MET A 30 4.593 10.048 4.856 1.00 0.00 C ATOM 423 SD MET A 30 5.039 11.571 5.710 1.00 0.00 S ATOM 424 CE MET A 30 6.825 11.516 5.591 1.00 0.00 C ATOM 0 H MET A 30 5.877 5.902 5.640 1.00 0.00 H new ATOM 0 HA MET A 30 3.735 7.556 4.572 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.932 8.782 6.548 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.298 8.903 5.457 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.912 10.112 3.816 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.508 9.944 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.231 12.517 5.741 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.220 10.846 6.355 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.113 11.152 4.605 1.00 0.00 H new ATOM 434 N VAL A 31 5.043 7.769 2.428 1.00 0.00 N ATOM 435 CA VAL A 31 5.704 7.637 1.135 1.00 0.00 C ATOM 436 C VAL A 31 7.110 8.225 1.174 1.00 0.00 C ATOM 437 O VAL A 31 7.287 9.421 1.407 1.00 0.00 O ATOM 438 CB VAL A 31 4.899 8.330 0.020 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.606 8.182 -1.319 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.488 7.766 -0.048 1.00 0.00 C ATOM 0 H VAL A 31 4.142 8.246 2.394 1.00 0.00 H new ATOM 0 HA VAL A 31 5.766 6.571 0.918 1.00 0.00 H new ATOM 0 HB VAL A 31 4.830 9.393 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.023 8.678 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.594 8.638 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.708 7.124 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.934 8.267 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.533 6.697 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.985 7.929 0.905 1.00 0.00 H new ATOM 450 N SER A 32 8.107 7.378 0.942 1.00 0.00 N ATOM 451 CA SER A 32 9.499 7.813 0.954 1.00 0.00 C ATOM 452 C SER A 32 10.024 7.991 -0.468 1.00 0.00 C ATOM 453 O SER A 32 10.798 8.907 -0.745 1.00 0.00 O ATOM 454 CB SER A 32 10.365 6.802 1.707 1.00 0.00 C ATOM 455 OG SER A 32 11.653 7.331 1.972 1.00 0.00 O ATOM 0 H SER A 32 7.977 6.386 0.743 1.00 0.00 H new ATOM 0 HA SER A 32 9.549 8.775 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.880 6.530 2.645 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.457 5.889 1.119 1.00 0.00 H new ATOM 0 HG SER A 32 12.187 6.666 2.455 1.00 0.00 H new ATOM 461 N SER A 33 9.597 7.108 -1.365 1.00 0.00 N ATOM 462 CA SER A 33 10.026 7.164 -2.757 1.00 0.00 C ATOM 463 C SER A 33 8.979 6.538 -3.674 1.00 0.00 C ATOM 464 O SER A 33 8.006 5.944 -3.208 1.00 0.00 O ATOM 465 CB SER A 33 11.366 6.445 -2.929 1.00 0.00 C ATOM 466 OG SER A 33 12.451 7.328 -2.701 1.00 0.00 O ATOM 0 H SER A 33 8.954 6.345 -1.152 1.00 0.00 H new ATOM 0 HA SER A 33 10.146 8.212 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.424 5.606 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.434 6.032 -3.935 1.00 0.00 H new ATOM 0 HG SER A 33 12.180 8.021 -2.063 1.00 0.00 H new ATOM 472 N ILE A 34 9.187 6.676 -4.979 1.00 0.00 N ATOM 473 CA ILE A 34 8.263 6.124 -5.962 1.00 0.00 C ATOM 474 C ILE A 34 9.013 5.437 -7.097 1.00 0.00 C ATOM 475 O ILE A 34 9.912 6.021 -7.704 1.00 0.00 O ATOM 476 CB ILE A 34 7.349 7.215 -6.551 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.277 7.616 -5.536 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.709 6.729 -7.843 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.752 8.634 -4.524 1.00 0.00 C ATOM 0 H ILE A 34 9.987 7.165 -5.380 1.00 0.00 H new ATOM 0 HA ILE A 34 7.649 5.390 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 34 7.954 8.093 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.417 8.020 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.935 6.725 -5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.066 7.511 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.488 6.489 -8.567 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.114 5.838 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.939 8.871 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.593 8.225 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.066 9.541 -5.040 1.00 0.00 H new ATOM 491 N ILE A 35 8.638 4.194 -7.381 1.00 0.00 N ATOM 492 CA ILE A 35 9.274 3.429 -8.446 1.00 0.00 C ATOM 493 C ILE A 35 8.601 3.692 -9.789 1.00 0.00 C ATOM 494 O ILE A 35 7.429 4.063 -9.845 1.00 0.00 O ATOM 495 CB ILE A 35 9.235 1.917 -8.153 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.023 1.602 -6.880 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.789 1.135 -9.334 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.797 0.199 -6.361 1.00 0.00 C ATOM 0 H ILE A 35 7.897 3.696 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 35 10.313 3.756 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 35 8.198 1.617 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.086 1.741 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.746 2.316 -6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.755 0.068 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.189 1.341 -10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.821 1.435 -9.517 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.387 0.046 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.740 0.062 -6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.101 -0.523 -7.119 1.00 0.00 H new ATOM 510 N GLU A 36 9.352 3.497 -10.869 1.00 0.00 N ATOM 511 CA GLU A 36 8.827 3.713 -12.212 1.00 0.00 C ATOM 512 C GLU A 36 7.346 3.354 -12.282 1.00 0.00 C ATOM 513 O GLU A 36 6.540 4.106 -12.830 1.00 0.00 O ATOM 514 CB GLU A 36 9.612 2.883 -13.230 1.00 0.00 C ATOM 515 CG GLU A 36 11.064 2.656 -12.841 1.00 0.00 C ATOM 516 CD GLU A 36 11.258 1.396 -12.021 1.00 0.00 C ATOM 517 OE1 GLU A 36 10.359 0.529 -12.044 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.308 1.275 -11.356 1.00 0.00 O ATOM 0 H GLU A 36 10.324 3.190 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 36 8.939 4.770 -12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.122 1.917 -13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.578 3.383 -14.198 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.673 2.595 -13.743 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.422 3.514 -12.272 1.00 0.00 H new ATOM 525 N GLN A 37 6.995 2.201 -11.722 1.00 0.00 N ATOM 526 CA GLN A 37 5.611 1.742 -11.722 1.00 0.00 C ATOM 527 C GLN A 37 5.096 1.568 -10.297 1.00 0.00 C ATOM 528 O GLN A 37 3.940 1.875 -10.002 1.00 0.00 O ATOM 529 CB GLN A 37 5.489 0.423 -12.487 1.00 0.00 C ATOM 530 CG GLN A 37 6.735 -0.444 -12.408 1.00 0.00 C ATOM 531 CD GLN A 37 7.740 -0.121 -13.496 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.517 0.767 -14.319 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.855 -0.843 -13.505 1.00 0.00 N ATOM 0 H GLN A 37 7.650 1.568 -11.263 1.00 0.00 H new ATOM 0 HA GLN A 37 5.003 2.498 -12.218 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.641 -0.138 -12.094 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.272 0.638 -13.533 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.205 -0.311 -11.433 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.449 -1.493 -12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.998 -1.569 -12.803 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.568 -0.671 -14.214 1.00 0.00 H new ATOM 542 N LEU A 38 5.959 1.072 -9.418 1.00 0.00 N ATOM 543 CA LEU A 38 5.591 0.855 -8.023 1.00 0.00 C ATOM 544 C LEU A 38 5.874 2.099 -7.186 1.00 0.00 C ATOM 545 O LEU A 38 6.440 3.075 -7.678 1.00 0.00 O ATOM 546 CB LEU A 38 6.355 -0.341 -7.453 1.00 0.00 C ATOM 547 CG LEU A 38 6.419 -1.582 -8.344 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.187 -1.667 -9.231 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.686 -1.568 -9.187 1.00 0.00 C ATOM 0 H LEU A 38 6.919 0.812 -9.646 1.00 0.00 H new ATOM 0 HA LEU A 38 4.522 0.647 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.374 -0.024 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.896 -0.622 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 38 6.442 -2.464 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.251 -2.556 -9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.294 -1.725 -8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.132 -0.781 -9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.715 -2.458 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.694 -0.679 -9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.558 -1.557 -8.533 1.00 0.00 H new ATOM 561 N VAL A 39 5.477 2.055 -5.918 1.00 0.00 N ATOM 562 CA VAL A 39 5.691 3.177 -5.011 1.00 0.00 C ATOM 563 C VAL A 39 6.391 2.726 -3.734 1.00 0.00 C ATOM 564 O VAL A 39 6.033 1.704 -3.146 1.00 0.00 O ATOM 565 CB VAL A 39 4.362 3.861 -4.641 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.583 4.914 -3.566 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.717 4.475 -5.875 1.00 0.00 C ATOM 0 H VAL A 39 5.006 1.255 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 39 6.325 3.892 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 39 3.685 3.106 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.632 5.386 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.997 4.443 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.278 5.669 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.779 4.954 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.389 5.217 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.520 3.694 -6.610 1.00 0.00 H new ATOM 577 N ILE A 40 7.389 3.493 -3.310 1.00 0.00 N ATOM 578 CA ILE A 40 8.137 3.173 -2.101 1.00 0.00 C ATOM 579 C ILE A 40 7.550 3.884 -0.886 1.00 0.00 C ATOM 580 O ILE A 40 7.226 5.070 -0.945 1.00 0.00 O ATOM 581 CB ILE A 40 9.622 3.559 -2.239 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.213 2.950 -3.513 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.404 3.104 -1.016 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.239 1.438 -3.504 1.00 0.00 C ATOM 0 H ILE A 40 7.698 4.341 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 40 8.061 2.095 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 40 9.695 4.644 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.634 3.290 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.229 3.322 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.451 3.384 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.995 3.580 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.327 2.021 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.670 1.076 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.843 1.089 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.223 1.057 -3.402 1.00 0.00 H new ATOM 596 N ILE A 41 7.418 3.151 0.214 1.00 0.00 N ATOM 597 CA ILE A 41 6.873 3.712 1.444 1.00 0.00 C ATOM 598 C ILE A 41 7.748 3.363 2.643 1.00 0.00 C ATOM 599 O ILE A 41 8.053 2.195 2.881 1.00 0.00 O ATOM 600 CB ILE A 41 5.440 3.211 1.705 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.522 3.596 0.544 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.912 3.776 3.015 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.389 2.619 0.319 1.00 0.00 C ATOM 0 H ILE A 41 7.681 2.168 0.279 1.00 0.00 H new ATOM 0 HA ILE A 41 6.853 4.794 1.315 1.00 0.00 H new ATOM 0 HB ILE A 41 5.460 2.124 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.105 4.585 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.114 3.669 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.898 3.413 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.555 3.456 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.904 4.865 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.779 2.956 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.797 1.633 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.773 2.563 1.216 1.00 0.00 H new ATOM 615 N GLU A 42 8.146 4.384 3.395 1.00 0.00 N ATOM 616 CA GLU A 42 8.986 4.184 4.571 1.00 0.00 C ATOM 617 C GLU A 42 8.135 3.898 5.805 1.00 0.00 C ATOM 618 O GLU A 42 6.961 4.264 5.861 1.00 0.00 O ATOM 619 CB GLU A 42 9.861 5.415 4.815 1.00 0.00 C ATOM 620 CG GLU A 42 10.306 5.568 6.260 1.00 0.00 C ATOM 621 CD GLU A 42 11.208 6.770 6.468 1.00 0.00 C ATOM 622 OE1 GLU A 42 11.754 7.282 5.469 1.00 0.00 O ATOM 623 OE2 GLU A 42 11.367 7.197 7.631 1.00 0.00 O ATOM 0 H GLU A 42 7.901 5.357 3.212 1.00 0.00 H new ATOM 0 HA GLU A 42 9.627 3.322 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.742 5.356 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.310 6.307 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.428 5.662 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.832 4.666 6.572 1.00 0.00 H new ATOM 630 N SER A 43 8.736 3.242 6.792 1.00 0.00 N ATOM 631 CA SER A 43 8.034 2.903 8.024 1.00 0.00 C ATOM 632 C SER A 43 8.505 3.782 9.178 1.00 0.00 C ATOM 633 O SER A 43 9.598 4.347 9.136 1.00 0.00 O ATOM 634 CB SER A 43 8.250 1.428 8.369 1.00 0.00 C ATOM 635 OG SER A 43 7.982 1.181 9.739 1.00 0.00 O ATOM 0 H SER A 43 9.708 2.934 6.762 1.00 0.00 H new ATOM 0 HA SER A 43 6.970 3.080 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.601 0.808 7.751 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.277 1.144 8.139 1.00 0.00 H new ATOM 0 HG SER A 43 8.645 0.553 10.094 1.00 0.00 H new ATOM 641 N MET A 44 7.673 3.892 10.208 1.00 0.00 N ATOM 642 CA MET A 44 8.004 4.701 11.375 1.00 0.00 C ATOM 643 C MET A 44 8.496 3.825 12.522 1.00 0.00 C ATOM 644 O MET A 44 9.689 3.798 12.830 1.00 0.00 O ATOM 645 CB MET A 44 6.786 5.511 11.823 1.00 0.00 C ATOM 646 CG MET A 44 6.120 6.282 10.695 1.00 0.00 C ATOM 647 SD MET A 44 6.855 7.909 10.437 1.00 0.00 S ATOM 648 CE MET A 44 6.074 8.393 8.900 1.00 0.00 C ATOM 0 H MET A 44 6.764 3.431 10.258 1.00 0.00 H new ATOM 0 HA MET A 44 8.804 5.386 11.095 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.056 4.837 12.271 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.092 6.212 12.600 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.192 5.705 9.773 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.059 6.398 10.916 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.428 9.382 8.608 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.325 7.673 8.122 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.993 8.420 9.034 1.00 0.00 H new ATOM 658 N THR A 45 7.571 3.109 13.153 1.00 0.00 N ATOM 659 CA THR A 45 7.911 2.232 14.267 1.00 0.00 C ATOM 660 C THR A 45 6.688 1.465 14.756 1.00 0.00 C ATOM 661 O THR A 45 5.559 1.770 14.375 1.00 0.00 O ATOM 662 CB THR A 45 8.509 3.026 15.444 1.00 0.00 C ATOM 663 OG1 THR A 45 8.762 2.150 16.548 1.00 0.00 O ATOM 664 CG2 THR A 45 7.569 4.140 15.879 1.00 0.00 C ATOM 0 H THR A 45 6.580 3.119 12.912 1.00 0.00 H new ATOM 0 HA THR A 45 8.655 1.526 13.898 1.00 0.00 H new ATOM 0 HB THR A 45 9.447 3.472 15.113 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.144 2.662 17.291 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.013 4.686 16.711 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.402 4.822 15.045 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.617 3.711 16.193 1.00 0.00 H new ATOM 672 N ASN A 46 6.920 0.468 15.604 1.00 0.00 N ATOM 673 CA ASN A 46 5.836 -0.343 16.146 1.00 0.00 C ATOM 674 C ASN A 46 5.020 -0.979 15.024 1.00 0.00 C ATOM 675 O ASN A 46 3.825 -1.235 15.179 1.00 0.00 O ATOM 676 CB ASN A 46 4.927 0.510 17.033 1.00 0.00 C ATOM 677 CG ASN A 46 4.065 -0.330 17.955 1.00 0.00 C ATOM 678 OD1 ASN A 46 2.849 -0.150 18.022 1.00 0.00 O ATOM 679 ND2 ASN A 46 4.693 -1.255 18.672 1.00 0.00 N ATOM 0 H ASN A 46 7.849 0.202 15.931 1.00 0.00 H new ATOM 0 HA ASN A 46 6.276 -1.138 16.748 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.538 1.188 17.629 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.286 1.128 16.404 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.165 -1.851 19.310 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.703 -1.369 18.585 1.00 0.00 H new ATOM 686 N LEU A 47 5.673 -1.232 13.895 1.00 0.00 N ATOM 687 CA LEU A 47 5.009 -1.839 12.747 1.00 0.00 C ATOM 688 C LEU A 47 4.884 -3.349 12.926 1.00 0.00 C ATOM 689 O LEU A 47 5.856 -4.046 13.219 1.00 0.00 O ATOM 690 CB LEU A 47 5.780 -1.528 11.463 1.00 0.00 C ATOM 691 CG LEU A 47 5.371 -0.251 10.728 1.00 0.00 C ATOM 692 CD1 LEU A 47 5.937 0.974 11.430 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.834 -0.299 9.279 1.00 0.00 C ATOM 0 H LEU A 47 6.661 -1.026 13.750 1.00 0.00 H new ATOM 0 HA LEU A 47 4.007 -1.416 12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.840 -1.459 11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.664 -2.370 10.780 1.00 0.00 H new ATOM 0 HG LEU A 47 4.283 -0.180 10.739 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.635 1.873 10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.557 1.017 12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.025 0.911 11.451 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.535 0.618 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.919 -0.394 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.380 -1.155 8.780 1.00 0.00 H new ATOM 705 N PRO A 48 3.661 -3.868 12.743 1.00 0.00 N ATOM 706 CA PRO A 48 3.381 -5.301 12.876 1.00 0.00 C ATOM 707 C PRO A 48 4.004 -6.120 11.750 1.00 0.00 C ATOM 708 O PRO A 48 4.290 -5.612 10.666 1.00 0.00 O ATOM 709 CB PRO A 48 1.854 -5.371 12.806 1.00 0.00 C ATOM 710 CG PRO A 48 1.452 -4.158 12.041 1.00 0.00 C ATOM 711 CD PRO A 48 2.457 -3.096 12.392 1.00 0.00 C ATOM 0 HA PRO A 48 3.799 -5.715 13.794 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.522 -6.281 12.307 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.412 -5.375 13.802 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.451 -4.355 10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.443 -3.844 12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.641 -2.424 11.554 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.117 -2.481 13.225 1.00 0.00 H new ATOM 719 N PRO A 49 4.219 -7.418 12.011 1.00 0.00 N ATOM 720 CA PRO A 49 4.809 -8.335 11.032 1.00 0.00 C ATOM 721 C PRO A 49 3.867 -8.624 9.867 1.00 0.00 C ATOM 722 O PRO A 49 3.199 -9.657 9.838 1.00 0.00 O ATOM 723 CB PRO A 49 5.061 -9.607 11.844 1.00 0.00 C ATOM 724 CG PRO A 49 4.072 -9.548 12.957 1.00 0.00 C ATOM 725 CD PRO A 49 3.901 -8.090 13.282 1.00 0.00 C ATOM 0 HA PRO A 49 5.707 -7.920 10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.919 -10.500 11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.082 -9.639 12.223 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.123 -9.996 12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.428 -10.102 13.825 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.886 -7.868 13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.571 -7.775 14.082 1.00 0.00 H new ATOM 733 N VAL A 50 3.820 -7.704 8.908 1.00 0.00 N ATOM 734 CA VAL A 50 2.961 -7.861 7.741 1.00 0.00 C ATOM 735 C VAL A 50 3.772 -8.251 6.510 1.00 0.00 C ATOM 736 O VAL A 50 4.805 -7.650 6.219 1.00 0.00 O ATOM 737 CB VAL A 50 2.181 -6.568 7.439 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.911 -6.503 8.272 1.00 0.00 C ATOM 739 CG2 VAL A 50 3.056 -5.348 7.690 1.00 0.00 C ATOM 0 H VAL A 50 4.367 -6.843 8.917 1.00 0.00 H new ATOM 0 HA VAL A 50 2.254 -8.657 7.974 1.00 0.00 H new ATOM 0 HB VAL A 50 1.896 -6.573 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.374 -5.582 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.279 -7.360 8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.169 -6.520 9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.489 -4.443 7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.372 -5.335 8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.934 -5.391 7.045 1.00 0.00 H new ATOM 749 N ASN A 51 3.297 -9.263 5.791 1.00 0.00 N ATOM 750 CA ASN A 51 3.979 -9.734 4.591 1.00 0.00 C ATOM 751 C ASN A 51 3.392 -9.083 3.341 1.00 0.00 C ATOM 752 O ASN A 51 2.440 -8.308 3.422 1.00 0.00 O ATOM 753 CB ASN A 51 3.873 -11.256 4.483 1.00 0.00 C ATOM 754 CG ASN A 51 2.484 -11.765 4.818 1.00 0.00 C ATOM 755 OD1 ASN A 51 1.645 -11.938 3.935 1.00 0.00 O ATOM 756 ND2 ASN A 51 2.236 -12.006 6.101 1.00 0.00 N ATOM 0 H ASN A 51 2.443 -9.772 6.018 1.00 0.00 H new ATOM 0 HA ASN A 51 5.030 -9.454 4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.136 -11.565 3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.597 -11.716 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.319 -12.349 6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.963 -11.848 6.799 1.00 0.00 H new ATOM 763 N GLU A 52 3.968 -9.405 2.187 1.00 0.00 N ATOM 764 CA GLU A 52 3.502 -8.852 0.921 1.00 0.00 C ATOM 765 C GLU A 52 1.985 -8.966 0.802 1.00 0.00 C ATOM 766 O GLU A 52 1.299 -7.984 0.525 1.00 0.00 O ATOM 767 CB GLU A 52 4.172 -9.570 -0.252 1.00 0.00 C ATOM 768 CG GLU A 52 5.689 -9.581 -0.173 1.00 0.00 C ATOM 769 CD GLU A 52 6.222 -10.737 0.651 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.982 -11.900 0.268 1.00 0.00 O ATOM 771 OE2 GLU A 52 6.880 -10.477 1.681 1.00 0.00 O ATOM 0 H GLU A 52 4.757 -10.045 2.103 1.00 0.00 H new ATOM 0 HA GLU A 52 3.772 -7.796 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.811 -10.598 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.869 -9.090 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.101 -9.637 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.033 -8.642 0.260 1.00 0.00 H new ATOM 778 N GLU A 53 1.470 -10.174 1.014 1.00 0.00 N ATOM 779 CA GLU A 53 0.035 -10.417 0.930 1.00 0.00 C ATOM 780 C GLU A 53 -0.744 -9.345 1.687 1.00 0.00 C ATOM 781 O GLU A 53 -1.927 -9.120 1.427 1.00 0.00 O ATOM 782 CB GLU A 53 -0.304 -11.800 1.489 1.00 0.00 C ATOM 783 CG GLU A 53 -1.703 -12.275 1.132 1.00 0.00 C ATOM 784 CD GLU A 53 -2.764 -11.707 2.055 1.00 0.00 C ATOM 785 OE1 GLU A 53 -2.558 -11.739 3.286 1.00 0.00 O ATOM 786 OE2 GLU A 53 -3.801 -11.232 1.546 1.00 0.00 O ATOM 0 H GLU A 53 2.025 -10.998 1.245 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.253 -10.377 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.422 -12.522 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.202 -11.779 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.929 -11.989 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.735 -13.364 1.174 1.00 0.00 H new ATOM 793 N THR A 54 -0.072 -8.686 2.625 1.00 0.00 N ATOM 794 CA THR A 54 -0.700 -7.639 3.422 1.00 0.00 C ATOM 795 C THR A 54 -1.162 -6.482 2.543 1.00 0.00 C ATOM 796 O THR A 54 -0.413 -5.994 1.697 1.00 0.00 O ATOM 797 CB THR A 54 0.261 -7.099 4.498 1.00 0.00 C ATOM 798 OG1 THR A 54 0.715 -8.172 5.331 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.422 -6.042 5.352 1.00 0.00 C ATOM 0 H THR A 54 0.907 -8.859 2.852 1.00 0.00 H new ATOM 0 HA THR A 54 -1.564 -8.089 3.910 1.00 0.00 H new ATOM 0 HB THR A 54 1.114 -6.642 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.230 -8.809 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.276 -5.676 6.105 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.741 -5.214 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.291 -6.478 5.845 1.00 0.00 H new ATOM 807 N VAL A 55 -2.401 -6.046 2.750 1.00 0.00 N ATOM 808 CA VAL A 55 -2.963 -4.944 1.978 1.00 0.00 C ATOM 809 C VAL A 55 -2.723 -3.608 2.672 1.00 0.00 C ATOM 810 O VAL A 55 -2.824 -3.506 3.895 1.00 0.00 O ATOM 811 CB VAL A 55 -4.475 -5.130 1.754 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.999 -4.098 0.767 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.772 -6.541 1.270 1.00 0.00 C ATOM 0 H VAL A 55 -3.034 -6.439 3.446 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.458 -4.944 1.012 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.987 -4.981 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.069 -4.245 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.820 -3.097 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.484 -4.212 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.845 -6.655 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.250 -6.721 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.434 -7.260 2.016 1.00 0.00 H new ATOM 823 N ILE A 56 -2.406 -2.587 1.884 1.00 0.00 N ATOM 824 CA ILE A 56 -2.154 -1.256 2.423 1.00 0.00 C ATOM 825 C ILE A 56 -3.304 -0.307 2.104 1.00 0.00 C ATOM 826 O ILE A 56 -3.689 -0.147 0.946 1.00 0.00 O ATOM 827 CB ILE A 56 -0.845 -0.663 1.868 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.323 -1.616 2.129 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.575 0.699 2.491 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.462 -2.018 3.581 1.00 0.00 C ATOM 0 H ILE A 56 -2.317 -2.655 0.870 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.065 -1.365 3.504 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.949 -0.534 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.192 -2.513 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.248 -1.142 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.353 1.105 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.398 1.375 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.487 0.593 3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.310 -2.694 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.624 -1.129 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.448 -2.521 3.908 1.00 0.00 H new ATOM 842 N PHE A 57 -3.848 0.322 3.141 1.00 0.00 N ATOM 843 CA PHE A 57 -4.955 1.257 2.972 1.00 0.00 C ATOM 844 C PHE A 57 -4.448 2.696 2.923 1.00 0.00 C ATOM 845 O PHE A 57 -3.414 3.023 3.506 1.00 0.00 O ATOM 846 CB PHE A 57 -5.963 1.098 4.112 1.00 0.00 C ATOM 847 CG PHE A 57 -6.804 -0.141 4.000 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.211 -1.387 3.876 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.187 -0.060 4.019 1.00 0.00 C ATOM 850 CE1 PHE A 57 -6.983 -2.529 3.772 1.00 0.00 C ATOM 851 CE2 PHE A 57 -8.963 -1.199 3.916 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.360 -2.435 3.794 1.00 0.00 C ATOM 0 H PHE A 57 -3.541 0.202 4.106 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.448 1.031 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.426 1.079 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.616 1.970 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.134 -1.467 3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.664 0.904 4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.509 -3.494 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.040 -1.122 3.931 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.964 -3.327 3.716 1.00 0.00 H new ATOM 862 N LYS A 58 -5.184 3.552 2.221 1.00 0.00 N ATOM 863 CA LYS A 58 -4.812 4.956 2.095 1.00 0.00 C ATOM 864 C LYS A 58 -5.390 5.778 3.243 1.00 0.00 C ATOM 865 O LYS A 58 -6.230 5.295 4.002 1.00 0.00 O ATOM 866 CB LYS A 58 -5.300 5.515 0.757 1.00 0.00 C ATOM 867 CG LYS A 58 -4.350 5.246 -0.398 1.00 0.00 C ATOM 868 CD LYS A 58 -5.097 5.116 -1.715 1.00 0.00 C ATOM 869 CE LYS A 58 -6.081 6.259 -1.912 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.874 6.098 -3.162 1.00 0.00 N ATOM 0 H LYS A 58 -6.042 3.297 1.731 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.725 5.023 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.273 5.081 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.445 6.591 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.624 6.055 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.790 4.331 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.384 5.102 -2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.631 4.166 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.756 6.309 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.538 7.204 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.852 6.411 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.450 6.673 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.875 5.098 -3.446 1.00 0.00 H new ATOM 884 N SER A 59 -4.936 7.021 3.362 1.00 0.00 N ATOM 885 CA SER A 59 -5.407 7.909 4.418 1.00 0.00 C ATOM 886 C SER A 59 -6.888 8.228 4.240 1.00 0.00 C ATOM 887 O SER A 59 -7.564 8.639 5.183 1.00 0.00 O ATOM 888 CB SER A 59 -4.592 9.204 4.426 1.00 0.00 C ATOM 889 OG SER A 59 -4.579 9.790 5.716 1.00 0.00 O ATOM 0 H SER A 59 -4.242 7.436 2.740 1.00 0.00 H new ATOM 0 HA SER A 59 -5.275 7.399 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.571 8.997 4.107 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.014 9.907 3.708 1.00 0.00 H new ATOM 0 HG SER A 59 -4.051 10.615 5.695 1.00 0.00 H new ATOM 895 N ASP A 60 -7.386 8.036 3.023 1.00 0.00 N ATOM 896 CA ASP A 60 -8.787 8.301 2.719 1.00 0.00 C ATOM 897 C ASP A 60 -9.632 7.045 2.909 1.00 0.00 C ATOM 898 O ASP A 60 -10.749 6.954 2.401 1.00 0.00 O ATOM 899 CB ASP A 60 -8.932 8.817 1.287 1.00 0.00 C ATOM 900 CG ASP A 60 -8.772 10.321 1.194 1.00 0.00 C ATOM 901 OD1 ASP A 60 -7.820 10.855 1.801 1.00 0.00 O ATOM 902 OD2 ASP A 60 -9.599 10.965 0.514 1.00 0.00 O ATOM 0 H ASP A 60 -6.840 7.698 2.231 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.144 9.065 3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.187 8.336 0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.911 8.534 0.899 1.00 0.00 H new ATOM 907 N ARG A 61 -9.090 6.079 3.643 1.00 0.00 N ATOM 908 CA ARG A 61 -9.792 4.827 3.898 1.00 0.00 C ATOM 909 C ARG A 61 -10.072 4.086 2.594 1.00 0.00 C ATOM 910 O ARG A 61 -11.171 3.572 2.385 1.00 0.00 O ATOM 911 CB ARG A 61 -11.105 5.096 4.636 1.00 0.00 C ATOM 912 CG ARG A 61 -10.937 5.254 6.139 1.00 0.00 C ATOM 913 CD ARG A 61 -12.235 4.968 6.877 1.00 0.00 C ATOM 914 NE ARG A 61 -13.209 6.043 6.710 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.159 7.190 7.379 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.189 7.408 8.256 1.00 0.00 N ATOM 917 NH2 ARG A 61 -14.082 8.120 7.172 1.00 0.00 N ATOM 0 H ARG A 61 -8.166 6.139 4.072 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.154 4.201 4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.560 6.001 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.797 4.277 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.159 4.577 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.604 6.267 6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.661 4.033 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.026 4.830 7.938 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.969 5.906 6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.479 6.694 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.153 8.289 8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.831 7.955 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.043 9.000 7.686 1.00 0.00 H new ATOM 931 N GLN A 62 -9.072 4.036 1.721 1.00 0.00 N ATOM 932 CA GLN A 62 -9.211 3.359 0.437 1.00 0.00 C ATOM 933 C GLN A 62 -8.018 2.448 0.169 1.00 0.00 C ATOM 934 O GLN A 62 -6.875 2.901 0.132 1.00 0.00 O ATOM 935 CB GLN A 62 -9.350 4.383 -0.691 1.00 0.00 C ATOM 936 CG GLN A 62 -10.788 4.786 -0.974 1.00 0.00 C ATOM 937 CD GLN A 62 -10.888 6.068 -1.776 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.390 7.161 -1.210 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.407 6.077 -2.893 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.156 4.456 1.879 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.111 2.746 0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.776 5.273 -0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.911 3.971 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.286 3.983 -1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.319 4.910 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.777 5.214 -3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.467 6.948 -3.421 1.00 0.00 H new ATOM 948 N ALA A 63 -8.292 1.161 -0.017 1.00 0.00 N ATOM 949 CA ALA A 63 -7.241 0.186 -0.282 1.00 0.00 C ATOM 950 C ALA A 63 -6.427 0.579 -1.510 1.00 0.00 C ATOM 951 O ALA A 63 -6.889 0.443 -2.643 1.00 0.00 O ATOM 952 CB ALA A 63 -7.841 -1.200 -0.465 1.00 0.00 C ATOM 0 H ALA A 63 -9.233 0.769 0.011 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.570 0.168 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.045 -1.918 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.374 -1.488 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.535 -1.188 -1.305 1.00 0.00 H new ATOM 958 N ALA A 64 -5.213 1.067 -1.278 1.00 0.00 N ATOM 959 CA ALA A 64 -4.334 1.478 -2.366 1.00 0.00 C ATOM 960 C ALA A 64 -3.809 0.269 -3.134 1.00 0.00 C ATOM 961 O ALA A 64 -3.647 0.319 -4.352 1.00 0.00 O ATOM 962 CB ALA A 64 -3.176 2.305 -1.825 1.00 0.00 C ATOM 0 H ALA A 64 -4.816 1.187 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.913 2.091 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.528 2.605 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.565 3.193 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.605 1.710 -1.112 1.00 0.00 H new ATOM 968 N GLY A 65 -3.546 -0.816 -2.413 1.00 0.00 N ATOM 969 CA GLY A 65 -3.042 -2.022 -3.044 1.00 0.00 C ATOM 970 C GLY A 65 -2.290 -2.913 -2.076 1.00 0.00 C ATOM 971 O GLY A 65 -2.075 -2.545 -0.920 1.00 0.00 O ATOM 0 H GLY A 65 -3.673 -0.882 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.875 -2.579 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.383 -1.749 -3.868 1.00 0.00 H new ATOM 975 N LYS A 66 -1.888 -4.089 -2.545 1.00 0.00 N ATOM 976 CA LYS A 66 -1.156 -5.036 -1.714 1.00 0.00 C ATOM 977 C LYS A 66 0.349 -4.852 -1.876 1.00 0.00 C ATOM 978 O LYS A 66 0.835 -4.567 -2.971 1.00 0.00 O ATOM 979 CB LYS A 66 -1.547 -6.471 -2.074 1.00 0.00 C ATOM 980 CG LYS A 66 -2.747 -6.987 -1.299 1.00 0.00 C ATOM 981 CD LYS A 66 -3.108 -8.405 -1.710 1.00 0.00 C ATOM 982 CE LYS A 66 -4.526 -8.763 -1.291 1.00 0.00 C ATOM 983 NZ LYS A 66 -5.031 -9.964 -2.012 1.00 0.00 N ATOM 0 H LYS A 66 -2.057 -4.409 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.418 -4.845 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.765 -6.523 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.697 -7.127 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.530 -6.961 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.600 -6.330 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.010 -8.508 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.406 -9.106 -1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.552 -8.947 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.186 -7.918 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.000 -10.175 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.031 -9.780 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.416 -10.777 -1.806 1.00 0.00 H new ATOM 997 N ILE A 67 1.083 -5.019 -0.780 1.00 0.00 N ATOM 998 CA ILE A 67 2.533 -4.873 -0.803 1.00 0.00 C ATOM 999 C ILE A 67 3.152 -5.715 -1.913 1.00 0.00 C ATOM 1000 O ILE A 67 2.895 -6.915 -2.014 1.00 0.00 O ATOM 1001 CB ILE A 67 3.160 -5.278 0.544 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.999 -4.151 1.566 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.629 -5.628 0.361 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.977 -4.633 3.000 1.00 0.00 C ATOM 0 H ILE A 67 0.697 -5.255 0.134 1.00 0.00 H new ATOM 0 HA ILE A 67 2.742 -3.820 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 67 2.640 -6.160 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.816 -3.440 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.074 -3.613 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.058 -5.912 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.721 -6.460 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.163 -4.763 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.860 -3.780 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.143 -5.321 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.912 -5.146 3.226 1.00 0.00 H new ATOM 1016 N PHE A 68 3.973 -5.079 -2.743 1.00 0.00 N ATOM 1017 CA PHE A 68 4.631 -5.770 -3.846 1.00 0.00 C ATOM 1018 C PHE A 68 5.999 -6.294 -3.420 1.00 0.00 C ATOM 1019 O PHE A 68 6.428 -7.362 -3.855 1.00 0.00 O ATOM 1020 CB PHE A 68 4.782 -4.831 -5.045 1.00 0.00 C ATOM 1021 CG PHE A 68 5.817 -5.285 -6.034 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.650 -6.467 -6.739 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.956 -4.530 -6.261 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.601 -6.887 -7.649 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.910 -4.945 -7.170 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.732 -6.125 -7.866 1.00 0.00 C ATOM 0 H PHE A 68 4.198 -4.087 -2.673 1.00 0.00 H new ATOM 0 HA PHE A 68 4.010 -6.619 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.821 -4.743 -5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.045 -3.836 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.767 -7.066 -6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.100 -3.606 -5.721 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.460 -7.811 -8.190 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.794 -4.347 -7.336 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.476 -6.451 -8.578 1.00 0.00 H new ATOM 1036 N GLU A 69 6.679 -5.533 -2.567 1.00 0.00 N ATOM 1037 CA GLU A 69 7.999 -5.920 -2.084 1.00 0.00 C ATOM 1038 C GLU A 69 8.356 -5.161 -0.810 1.00 0.00 C ATOM 1039 O GLU A 69 7.907 -4.034 -0.600 1.00 0.00 O ATOM 1040 CB GLU A 69 9.056 -5.660 -3.159 1.00 0.00 C ATOM 1041 CG GLU A 69 10.483 -5.806 -2.658 1.00 0.00 C ATOM 1042 CD GLU A 69 11.456 -6.167 -3.763 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.055 -6.904 -4.688 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.618 -5.713 -3.704 1.00 0.00 O ATOM 0 H GLU A 69 6.337 -4.646 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 69 7.977 -6.986 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.898 -6.352 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.920 -4.653 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.798 -4.872 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.516 -6.574 -1.885 1.00 0.00 H new ATOM 1051 N ILE A 70 9.166 -5.787 0.037 1.00 0.00 N ATOM 1052 CA ILE A 70 9.583 -5.171 1.291 1.00 0.00 C ATOM 1053 C ILE A 70 11.096 -5.255 1.467 1.00 0.00 C ATOM 1054 O ILE A 70 11.680 -6.336 1.402 1.00 0.00 O ATOM 1055 CB ILE A 70 8.899 -5.836 2.500 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.384 -5.882 2.294 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.243 -5.088 3.780 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.679 -6.853 3.215 1.00 0.00 C ATOM 0 H ILE A 70 9.547 -6.720 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 70 9.282 -4.124 1.245 1.00 0.00 H new ATOM 0 HB ILE A 70 9.266 -6.859 2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.974 -4.884 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.174 -6.156 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.752 -5.570 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.322 -5.102 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.901 -4.056 3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.608 -6.833 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.062 -7.859 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.858 -6.567 4.251 1.00 0.00 H new ATOM 1070 N PHE A 71 11.724 -4.106 1.692 1.00 0.00 N ATOM 1071 CA PHE A 71 13.169 -4.048 1.879 1.00 0.00 C ATOM 1072 C PHE A 71 13.531 -3.124 3.038 1.00 0.00 C ATOM 1073 O PHE A 71 12.670 -2.450 3.602 1.00 0.00 O ATOM 1074 CB PHE A 71 13.852 -3.569 0.597 1.00 0.00 C ATOM 1075 CG PHE A 71 13.347 -2.241 0.109 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.920 -1.061 0.554 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.298 -2.173 -0.794 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.458 0.163 0.107 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.832 -0.953 -1.244 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.412 0.217 -0.793 1.00 0.00 C ATOM 0 H PHE A 71 11.255 -3.202 1.749 1.00 0.00 H new ATOM 0 HA PHE A 71 13.520 -5.053 2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.926 -3.499 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.704 -4.314 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.738 -1.098 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.840 -3.084 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.914 1.076 0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.014 -0.914 -1.948 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.048 1.172 -1.143 1.00 0.00 H new ATOM 1090 N GLY A 72 14.814 -3.098 3.389 1.00 0.00 N ATOM 1091 CA GLY A 72 15.268 -2.255 4.478 1.00 0.00 C ATOM 1092 C GLY A 72 15.502 -3.035 5.757 1.00 0.00 C ATOM 1093 O GLY A 72 15.542 -4.265 5.760 1.00 0.00 O ATOM 0 H GLY A 72 15.546 -3.646 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.192 -1.756 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.529 -1.475 4.662 1.00 0.00 H new ATOM 1097 N PRO A 73 15.664 -2.311 6.875 1.00 0.00 N ATOM 1098 CA PRO A 73 15.899 -2.923 8.186 1.00 0.00 C ATOM 1099 C PRO A 73 14.667 -3.649 8.716 1.00 0.00 C ATOM 1100 O PRO A 73 13.738 -3.946 7.966 1.00 0.00 O ATOM 1101 CB PRO A 73 16.241 -1.728 9.079 1.00 0.00 C ATOM 1102 CG PRO A 73 15.582 -0.564 8.422 1.00 0.00 C ATOM 1103 CD PRO A 73 15.628 -0.841 6.945 1.00 0.00 C ATOM 0 HA PRO A 73 16.681 -3.681 8.148 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.870 -1.873 10.094 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.319 -1.584 9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.554 -0.452 8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.101 0.364 8.661 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.756 -0.436 6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.507 -0.395 6.480 1.00 0.00 H new ATOM 1111 N VAL A 74 14.667 -3.933 10.015 1.00 0.00 N ATOM 1112 CA VAL A 74 13.548 -4.623 10.647 1.00 0.00 C ATOM 1113 C VAL A 74 12.745 -3.674 11.529 1.00 0.00 C ATOM 1114 O VAL A 74 11.690 -4.037 12.049 1.00 0.00 O ATOM 1115 CB VAL A 74 14.031 -5.813 11.497 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.834 -5.324 12.693 1.00 0.00 C ATOM 1117 CG2 VAL A 74 12.849 -6.659 11.947 1.00 0.00 C ATOM 0 H VAL A 74 15.429 -3.696 10.650 1.00 0.00 H new ATOM 0 HA VAL A 74 12.911 -4.995 9.845 1.00 0.00 H new ATOM 0 HB VAL A 74 14.682 -6.436 10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.167 -6.179 13.282 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.701 -4.764 12.344 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.210 -4.679 13.311 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.208 -7.496 12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.171 -6.049 12.544 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.320 -7.039 11.073 1.00 0.00 H new ATOM 1127 N ALA A 75 13.251 -2.457 11.694 1.00 0.00 N ATOM 1128 CA ALA A 75 12.580 -1.454 12.512 1.00 0.00 C ATOM 1129 C ALA A 75 12.043 -0.315 11.653 1.00 0.00 C ATOM 1130 O ALA A 75 11.011 0.280 11.967 1.00 0.00 O ATOM 1131 CB ALA A 75 13.529 -0.916 13.573 1.00 0.00 C ATOM 0 H ALA A 75 14.124 -2.141 11.272 1.00 0.00 H new ATOM 0 HA ALA A 75 11.734 -1.931 13.006 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.014 -0.168 14.176 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.860 -1.734 14.213 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.394 -0.460 13.090 1.00 0.00 H new ATOM 1137 N HIS A 76 12.749 -0.014 10.568 1.00 0.00 N ATOM 1138 CA HIS A 76 12.342 1.055 9.663 1.00 0.00 C ATOM 1139 C HIS A 76 12.354 0.575 8.215 1.00 0.00 C ATOM 1140 O HIS A 76 12.900 1.226 7.324 1.00 0.00 O ATOM 1141 CB HIS A 76 13.266 2.263 9.819 1.00 0.00 C ATOM 1142 CG HIS A 76 13.575 2.600 11.246 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.654 3.165 12.102 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.711 2.447 11.966 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.210 3.347 13.286 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.459 2.919 13.230 1.00 0.00 N ATOM 0 H HIS A 76 13.606 -0.495 10.294 1.00 0.00 H new ATOM 0 HA HIS A 76 11.325 1.349 9.922 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.199 2.067 9.290 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.804 3.127 9.342 1.00 0.00 H new ATOM 0 HD1 HIS A 76 11.693 3.405 11.859 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.643 2.031 11.612 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.726 3.773 14.153 1.00 0.00 H new ATOM 1154 N PRO A 77 11.737 -0.591 7.972 1.00 0.00 N ATOM 1155 CA PRO A 77 11.663 -1.184 6.634 1.00 0.00 C ATOM 1156 C PRO A 77 10.751 -0.396 5.700 1.00 0.00 C ATOM 1157 O PRO A 77 9.810 0.262 6.145 1.00 0.00 O ATOM 1158 CB PRO A 77 11.086 -2.578 6.894 1.00 0.00 C ATOM 1159 CG PRO A 77 10.322 -2.439 8.166 1.00 0.00 C ATOM 1160 CD PRO A 77 11.065 -1.421 8.986 1.00 0.00 C ATOM 0 HA PRO A 77 12.634 -1.195 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.440 -2.898 6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.876 -3.323 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.299 -2.114 7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.260 -3.393 8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.388 -0.831 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.782 -1.892 9.659 1.00 0.00 H new ATOM 1168 N PHE A 78 11.035 -0.466 4.404 1.00 0.00 N ATOM 1169 CA PHE A 78 10.240 0.242 3.407 1.00 0.00 C ATOM 1170 C PHE A 78 9.404 -0.735 2.585 1.00 0.00 C ATOM 1171 O PHE A 78 9.917 -1.731 2.074 1.00 0.00 O ATOM 1172 CB PHE A 78 11.148 1.056 2.484 1.00 0.00 C ATOM 1173 CG PHE A 78 12.276 1.739 3.203 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.395 1.024 3.601 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.218 3.095 3.481 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.435 1.650 4.263 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.255 3.726 4.142 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.365 3.002 4.534 1.00 0.00 C ATOM 0 H PHE A 78 11.810 -1.006 4.019 1.00 0.00 H new ATOM 0 HA PHE A 78 9.565 0.919 3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.561 0.397 1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.549 1.807 1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.455 -0.034 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.353 3.666 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.301 1.082 4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.198 4.784 4.352 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.176 3.493 5.051 1.00 0.00 H new ATOM 1188 N TYR A 79 8.114 -0.442 2.462 1.00 0.00 N ATOM 1189 CA TYR A 79 7.205 -1.295 1.705 1.00 0.00 C ATOM 1190 C TYR A 79 6.958 -0.725 0.311 1.00 0.00 C ATOM 1191 O TYR A 79 7.005 0.488 0.106 1.00 0.00 O ATOM 1192 CB TYR A 79 5.877 -1.448 2.448 1.00 0.00 C ATOM 1193 CG TYR A 79 6.029 -1.979 3.856 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.465 -1.157 4.887 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.735 -3.304 4.154 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.606 -1.639 6.174 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.872 -3.794 5.438 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.308 -2.958 6.445 1.00 0.00 C ATOM 1199 OH TYR A 79 6.446 -3.441 7.726 1.00 0.00 O ATOM 0 H TYR A 79 7.674 0.380 2.877 1.00 0.00 H new ATOM 0 HA TYR A 79 7.670 -2.275 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.378 -0.480 2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.230 -2.119 1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.698 -0.123 4.679 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.394 -3.962 3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.948 -0.986 6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.639 -4.826 5.653 1.00 0.00 H new ATOM 0 HH TYR A 79 6.195 -4.388 7.747 1.00 0.00 H new ATOM 1209 N VAL A 80 6.694 -1.610 -0.645 1.00 0.00 N ATOM 1210 CA VAL A 80 6.437 -1.198 -2.019 1.00 0.00 C ATOM 1211 C VAL A 80 5.001 -1.505 -2.426 1.00 0.00 C ATOM 1212 O VAL A 80 4.401 -2.470 -1.948 1.00 0.00 O ATOM 1213 CB VAL A 80 7.398 -1.893 -3.003 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.216 -1.340 -4.408 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.839 -1.735 -2.541 1.00 0.00 C ATOM 0 H VAL A 80 6.653 -2.618 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 80 6.601 -0.121 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 80 7.162 -2.957 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.903 -1.843 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.191 -1.510 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.424 -0.270 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.504 -2.232 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.090 -0.676 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.956 -2.184 -1.555 1.00 0.00 H new ATOM 1225 N LEU A 81 4.453 -0.680 -3.311 1.00 0.00 N ATOM 1226 CA LEU A 81 3.085 -0.864 -3.784 1.00 0.00 C ATOM 1227 C LEU A 81 3.058 -1.115 -5.288 1.00 0.00 C ATOM 1228 O LEU A 81 3.740 -0.433 -6.054 1.00 0.00 O ATOM 1229 CB LEU A 81 2.239 0.365 -3.446 1.00 0.00 C ATOM 1230 CG LEU A 81 1.629 0.394 -2.044 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.563 1.474 -1.948 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.046 -0.966 -1.687 1.00 0.00 C ATOM 0 H LEU A 81 4.935 0.123 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 81 2.667 -1.736 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.859 1.253 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.431 0.437 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 81 2.419 0.627 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.140 1.480 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.009 2.446 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.226 1.272 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.616 -0.926 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.269 -1.229 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.834 -1.718 -1.714 1.00 0.00 H new ATOM 1244 N ARG A 82 2.265 -2.096 -5.705 1.00 0.00 N ATOM 1245 CA ARG A 82 2.148 -2.437 -7.117 1.00 0.00 C ATOM 1246 C ARG A 82 1.180 -1.494 -7.826 1.00 0.00 C ATOM 1247 O ARG A 82 0.204 -1.030 -7.235 1.00 0.00 O ATOM 1248 CB ARG A 82 1.677 -3.884 -7.278 1.00 0.00 C ATOM 1249 CG ARG A 82 1.209 -4.220 -8.685 1.00 0.00 C ATOM 1250 CD ARG A 82 1.455 -5.683 -9.019 1.00 0.00 C ATOM 1251 NE ARG A 82 0.493 -6.191 -9.993 1.00 0.00 N ATOM 1252 CZ ARG A 82 0.609 -7.369 -10.595 1.00 0.00 C ATOM 1253 NH1 ARG A 82 1.640 -8.157 -10.323 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -0.308 -7.762 -11.470 1.00 0.00 N ATOM 0 H ARG A 82 1.693 -2.669 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 82 3.132 -2.330 -7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.492 -4.555 -7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.862 -4.072 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.146 -3.998 -8.779 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.731 -3.589 -9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.465 -5.800 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.396 -6.278 -8.107 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.312 -5.609 -10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.346 -7.859 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.727 -9.061 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.103 -7.159 -11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.218 -8.667 -11.932 1.00 0.00 H new ATOM 1268 N PHE A 83 1.456 -1.214 -9.095 1.00 0.00 N ATOM 1269 CA PHE A 83 0.611 -0.325 -9.884 1.00 0.00 C ATOM 1270 C PHE A 83 0.902 -0.479 -11.374 1.00 0.00 C ATOM 1271 O PHE A 83 2.055 -0.612 -11.781 1.00 0.00 O ATOM 1272 CB PHE A 83 0.826 1.128 -9.458 1.00 0.00 C ATOM 1273 CG PHE A 83 0.160 1.476 -8.157 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.221 1.556 -8.070 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.914 1.725 -7.022 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.837 1.875 -6.875 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.304 2.044 -5.824 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.073 2.121 -5.751 1.00 0.00 C ATOM 0 H PHE A 83 2.259 -1.590 -9.600 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.429 -0.599 -9.705 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.896 1.318 -9.372 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.447 1.787 -10.239 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.823 1.367 -8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.991 1.669 -7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.914 1.932 -6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.903 2.233 -4.946 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.552 2.373 -4.816 1.00 0.00 H new ATOM 1288 N ASN A 84 -0.153 -0.460 -12.182 1.00 0.00 N ATOM 1289 CA ASN A 84 -0.012 -0.598 -13.627 1.00 0.00 C ATOM 1290 C ASN A 84 0.998 0.407 -14.173 1.00 0.00 C ATOM 1291 O ASN A 84 1.944 0.036 -14.868 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.365 -0.402 -14.313 1.00 0.00 C ATOM 1293 CG ASN A 84 -2.151 -1.695 -14.421 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.704 -2.655 -15.049 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -3.328 -1.725 -13.808 1.00 0.00 N ATOM 0 H ASN A 84 -1.115 -0.350 -11.861 1.00 0.00 H new ATOM 0 HA ASN A 84 0.352 -1.604 -13.837 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.949 0.330 -13.755 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.208 0.009 -15.310 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.902 -2.568 -13.846 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.659 -0.905 -13.299 1.00 0.00 H new ATOM 1302 N SER A 85 0.790 1.680 -13.853 1.00 0.00 N ATOM 1303 CA SER A 85 1.680 2.739 -14.314 1.00 0.00 C ATOM 1304 C SER A 85 1.567 3.971 -13.421 1.00 0.00 C ATOM 1305 O SER A 85 0.734 4.021 -12.516 1.00 0.00 O ATOM 1306 CB SER A 85 1.355 3.113 -15.762 1.00 0.00 C ATOM 1307 OG SER A 85 -0.025 3.396 -15.918 1.00 0.00 O ATOM 0 H SER A 85 0.013 2.003 -13.276 1.00 0.00 H new ATOM 0 HA SER A 85 2.703 2.367 -14.263 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.943 3.982 -16.057 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.639 2.295 -16.425 1.00 0.00 H new ATOM 0 HG SER A 85 -0.207 3.634 -16.851 1.00 0.00 H new ATOM 1313 N SER A 86 2.412 4.963 -13.683 1.00 0.00 N ATOM 1314 CA SER A 86 2.410 6.195 -12.901 1.00 0.00 C ATOM 1315 C SER A 86 0.990 6.721 -12.719 1.00 0.00 C ATOM 1316 O SER A 86 0.619 7.178 -11.638 1.00 0.00 O ATOM 1317 CB SER A 86 3.277 7.256 -13.580 1.00 0.00 C ATOM 1318 OG SER A 86 3.398 8.412 -12.769 1.00 0.00 O ATOM 0 H SER A 86 3.106 4.938 -14.430 1.00 0.00 H new ATOM 0 HA SER A 86 2.824 5.973 -11.918 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.266 6.846 -13.784 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.840 7.527 -14.541 1.00 0.00 H new ATOM 0 HG SER A 86 3.958 9.074 -13.225 1.00 0.00 H new ATOM 1324 N ASP A 87 0.200 6.654 -13.785 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.180 7.122 -13.745 1.00 0.00 C ATOM 1326 C ASP A 87 -1.934 6.493 -12.578 1.00 0.00 C ATOM 1327 O ASP A 87 -2.479 7.195 -11.726 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.890 6.799 -15.061 1.00 0.00 C ATOM 1329 CG ASP A 87 -3.388 6.647 -14.889 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -3.823 5.600 -14.366 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -4.126 7.577 -15.276 1.00 0.00 O ATOM 0 H ASP A 87 0.492 6.280 -14.688 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.166 8.203 -13.605 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.689 7.591 -15.783 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.480 5.878 -15.475 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.963 5.164 -12.547 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.651 4.439 -11.484 1.00 0.00 C ATOM 1338 C HIS A 88 -2.400 5.094 -10.129 1.00 0.00 C ATOM 1339 O HIS A 88 -3.305 5.195 -9.301 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.192 2.981 -11.452 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.205 2.046 -10.868 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.367 0.747 -11.298 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.111 2.229 -9.878 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.330 0.171 -10.601 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.797 1.049 -9.732 1.00 0.00 N ATOM 0 H HIS A 88 -1.519 4.568 -13.245 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.721 4.470 -11.690 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.957 2.661 -12.467 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.270 2.912 -10.874 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.265 3.134 -9.310 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.676 -0.845 -10.721 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.546 0.878 -9.061 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.166 5.536 -9.911 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.797 6.181 -8.657 1.00 0.00 C ATOM 1355 C ILE A 89 -1.441 7.557 -8.536 1.00 0.00 C ATOM 1356 O ILE A 89 -2.172 7.830 -7.584 1.00 0.00 O ATOM 1357 CB ILE A 89 0.731 6.328 -8.528 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.392 4.951 -8.435 1.00 0.00 C ATOM 1359 CG2 ILE A 89 1.080 7.173 -7.312 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.482 4.233 -9.763 1.00 0.00 C ATOM 0 H ILE A 89 -0.405 5.459 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.161 5.541 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 89 1.110 6.832 -9.417 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.395 5.066 -8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.830 4.334 -7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.163 7.268 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.635 8.163 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.692 6.694 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.961 3.264 -9.621 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.480 4.087 -10.166 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.070 4.830 -10.460 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.167 8.421 -9.509 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.721 9.770 -9.511 1.00 0.00 C ATOM 1374 C GLU A 90 -3.206 9.748 -9.158 1.00 0.00 C ATOM 1375 O GLU A 90 -3.685 10.587 -8.396 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.520 10.425 -10.879 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.066 10.718 -11.206 1.00 0.00 C ATOM 1378 CD GLU A 90 0.100 11.448 -12.525 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.584 12.473 -12.727 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.916 10.994 -13.355 1.00 0.00 O ATOM 0 H GLU A 90 -0.565 8.211 -10.305 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.194 10.354 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.932 9.773 -11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.086 11.356 -10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.369 11.317 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.490 9.781 -11.241 1.00 0.00 H new ATOM 1387 N SER A 91 -3.927 8.783 -9.719 1.00 0.00 N ATOM 1388 CA SER A 91 -5.358 8.654 -9.468 1.00 0.00 C ATOM 1389 C SER A 91 -5.633 8.457 -7.980 1.00 0.00 C ATOM 1390 O SER A 91 -6.422 9.187 -7.380 1.00 0.00 O ATOM 1391 CB SER A 91 -5.934 7.482 -10.265 1.00 0.00 C ATOM 1392 OG SER A 91 -7.290 7.713 -10.605 1.00 0.00 O ATOM 0 H SER A 91 -3.544 8.079 -10.350 1.00 0.00 H new ATOM 0 HA SER A 91 -5.843 9.576 -9.790 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.349 7.333 -11.172 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.854 6.566 -9.680 1.00 0.00 H new ATOM 0 HG SER A 91 -7.634 6.950 -11.115 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.975 7.464 -7.391 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.145 7.168 -5.973 1.00 0.00 C ATOM 1400 C LYS A 92 -4.818 8.390 -5.120 1.00 0.00 C ATOM 1401 O LYS A 92 -5.400 8.589 -4.054 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.254 5.994 -5.565 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.523 4.723 -6.353 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.737 3.983 -5.818 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.696 2.507 -6.183 1.00 0.00 C ATOM 1406 NZ LYS A 92 -7.050 1.888 -6.148 1.00 0.00 N ATOM 0 H LYS A 92 -4.319 6.850 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.188 6.898 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.210 6.279 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.398 5.791 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.680 4.971 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.649 4.073 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.781 4.090 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.645 4.433 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.270 2.391 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.038 1.980 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.979 0.882 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.447 1.975 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.671 2.374 -6.826 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.883 9.206 -5.596 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.495 10.398 -4.865 1.00 0.00 C ATOM 1422 C GLY A 93 -2.280 10.170 -3.988 1.00 0.00 C ATOM 1423 O GLY A 93 -1.932 11.019 -3.166 1.00 0.00 O ATOM 0 H GLY A 93 -3.387 9.063 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.284 11.201 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.329 10.729 -4.246 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.634 9.022 -4.161 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.451 8.686 -3.378 1.00 0.00 C ATOM 1429 C ILE A 94 0.767 9.466 -3.860 1.00 0.00 C ATOM 1430 O ILE A 94 1.027 9.554 -5.061 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.141 7.179 -3.444 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.392 6.364 -3.107 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.997 6.830 -2.497 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.349 4.946 -3.633 1.00 0.00 C ATOM 0 H ILE A 94 -1.910 8.309 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.669 8.959 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 94 0.169 6.931 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.518 6.338 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.266 6.869 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.204 5.761 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.889 7.389 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.714 7.090 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.267 4.428 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.254 4.963 -4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.494 4.424 -3.203 1.00 0.00 H new ATOM 1446 N LYS A 95 1.513 10.030 -2.917 1.00 0.00 N ATOM 1447 CA LYS A 95 2.707 10.801 -3.244 1.00 0.00 C ATOM 1448 C LYS A 95 3.616 10.938 -2.027 1.00 0.00 C ATOM 1449 O LYS A 95 3.254 10.535 -0.921 1.00 0.00 O ATOM 1450 CB LYS A 95 2.319 12.187 -3.762 1.00 0.00 C ATOM 1451 CG LYS A 95 1.240 12.865 -2.935 1.00 0.00 C ATOM 1452 CD LYS A 95 1.768 13.302 -1.579 1.00 0.00 C ATOM 1453 CE LYS A 95 0.712 14.056 -0.786 1.00 0.00 C ATOM 1454 NZ LYS A 95 -0.175 13.132 -0.025 1.00 0.00 N ATOM 0 H LYS A 95 1.312 9.968 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 95 3.251 10.268 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.205 12.821 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.973 12.097 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.858 13.732 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.403 12.181 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.093 12.428 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.644 13.936 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.199 14.743 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.110 14.660 -1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.014 13.650 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.473 12.350 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.341 12.750 0.793 1.00 0.00 H new ATOM 1468 N ILE A 96 4.797 11.510 -2.238 1.00 0.00 N ATOM 1469 CA ILE A 96 5.756 11.702 -1.157 1.00 0.00 C ATOM 1470 C ILE A 96 5.124 12.451 0.012 1.00 0.00 C ATOM 1471 O ILE A 96 4.310 13.353 -0.182 1.00 0.00 O ATOM 1472 CB ILE A 96 6.998 12.476 -1.637 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.660 11.746 -2.808 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.984 12.657 -0.493 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.440 10.519 -2.392 1.00 0.00 C ATOM 0 H ILE A 96 5.112 11.848 -3.147 1.00 0.00 H new ATOM 0 HA ILE A 96 6.062 10.709 -0.827 1.00 0.00 H new ATOM 0 HB ILE A 96 6.684 13.462 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.892 11.453 -3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.330 12.435 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.856 13.206 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.508 13.215 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.296 11.680 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.881 10.053 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.231 10.808 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.771 9.811 -1.903 1.00 0.00 H new ATOM 1487 N LYS A 97 5.507 12.072 1.227 1.00 0.00 N ATOM 1488 CA LYS A 97 4.982 12.709 2.428 1.00 0.00 C ATOM 1489 C LYS A 97 3.506 12.375 2.620 1.00 0.00 C ATOM 1490 O LYS A 97 2.712 13.232 3.008 1.00 0.00 O ATOM 1491 CB LYS A 97 5.167 14.226 2.349 1.00 0.00 C ATOM 1492 CG LYS A 97 6.578 14.648 1.980 1.00 0.00 C ATOM 1493 CD LYS A 97 7.449 14.819 3.213 1.00 0.00 C ATOM 1494 CE LYS A 97 8.918 14.956 2.843 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.729 15.480 3.977 1.00 0.00 N ATOM 0 H LYS A 97 6.180 11.326 1.405 1.00 0.00 H new ATOM 0 HA LYS A 97 5.537 12.326 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.472 14.631 1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.905 14.666 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.021 13.902 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.545 15.585 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.128 15.701 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.318 13.963 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.307 13.985 2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.016 15.624 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.724 15.559 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.374 16.418 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.656 14.830 4.785 1.00 0.00 H new ATOM 1509 N GLU A 98 3.146 11.125 2.346 1.00 0.00 N ATOM 1510 CA GLU A 98 1.764 10.680 2.489 1.00 0.00 C ATOM 1511 C GLU A 98 1.665 9.525 3.481 1.00 0.00 C ATOM 1512 O GLU A 98 2.121 8.414 3.207 1.00 0.00 O ATOM 1513 CB GLU A 98 1.200 10.252 1.133 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.316 10.146 1.110 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.810 8.763 1.488 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.598 7.821 0.696 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.408 8.623 2.575 1.00 0.00 O ATOM 0 H GLU A 98 3.791 10.403 2.024 1.00 0.00 H new ATOM 0 HA GLU A 98 1.177 11.516 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.517 10.968 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.627 9.287 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.738 10.879 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.679 10.398 0.113 1.00 0.00 H new ATOM 1524 N THR A 99 1.066 9.795 4.637 1.00 0.00 N ATOM 1525 CA THR A 99 0.908 8.780 5.671 1.00 0.00 C ATOM 1526 C THR A 99 -0.167 7.769 5.290 1.00 0.00 C ATOM 1527 O THR A 99 -1.309 8.138 5.015 1.00 0.00 O ATOM 1528 CB THR A 99 0.544 9.413 7.028 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.393 10.537 7.288 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.680 8.398 8.152 1.00 0.00 C ATOM 0 H THR A 99 0.682 10.708 4.880 1.00 0.00 H new ATOM 0 HA THR A 99 1.867 8.269 5.762 1.00 0.00 H new ATOM 0 HB THR A 99 -0.493 9.745 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.154 10.935 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.418 8.868 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.011 7.558 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.709 8.040 8.197 1.00 0.00 H new ATOM 1538 N MET A 100 0.205 6.494 5.277 1.00 0.00 N ATOM 1539 CA MET A 100 -0.730 5.429 4.931 1.00 0.00 C ATOM 1540 C MET A 100 -1.112 4.619 6.165 1.00 0.00 C ATOM 1541 O MET A 100 -0.522 4.782 7.234 1.00 0.00 O ATOM 1542 CB MET A 100 -0.119 4.509 3.872 1.00 0.00 C ATOM 1543 CG MET A 100 0.486 5.255 2.694 1.00 0.00 C ATOM 1544 SD MET A 100 0.428 4.303 1.164 1.00 0.00 S ATOM 1545 CE MET A 100 -1.141 4.843 0.489 1.00 0.00 C ATOM 0 H MET A 100 1.147 6.172 5.502 1.00 0.00 H new ATOM 0 HA MET A 100 -1.632 5.889 4.526 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.652 3.895 4.337 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.889 3.830 3.505 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.047 6.195 2.552 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.522 5.506 2.922 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.690 3.981 0.110 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.725 5.330 1.270 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.964 5.547 -0.324 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.103 3.747 6.012 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.566 2.914 7.115 1.00 0.00 C ATOM 1557 C TYR A 101 -3.055 1.561 6.608 1.00 0.00 C ATOM 1558 O TYR A 101 -3.273 1.375 5.411 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.687 3.621 7.879 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.380 5.064 8.209 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.271 6.018 7.204 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.197 5.474 9.523 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -2.990 7.338 7.500 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.917 6.792 9.828 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.814 7.720 8.813 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.534 9.033 9.113 1.00 0.00 O ATOM 0 H TYR A 101 -2.601 3.599 5.134 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.726 2.747 7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.601 3.579 7.287 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.882 3.079 8.804 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.408 5.722 6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.275 4.750 10.320 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.909 8.067 6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.780 7.094 10.856 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.441 9.134 10.083 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.226 0.618 7.529 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.689 -0.719 7.177 1.00 0.00 C ATOM 1578 C PHE A 102 -4.794 -1.178 8.124 1.00 0.00 C ATOM 1579 O PHE A 102 -5.129 -0.488 9.085 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.524 -1.711 7.215 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.691 -1.610 8.460 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.268 -1.767 9.710 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.331 -1.359 8.381 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.503 -1.673 10.858 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.439 -1.265 9.525 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.148 -1.423 10.765 1.00 0.00 C ATOM 0 H PHE A 102 -3.051 0.755 8.524 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.093 -0.683 6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.917 -2.724 7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.887 -1.544 6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.327 -1.965 9.788 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.133 -1.235 7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.965 -1.795 11.827 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.498 -1.068 9.449 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.452 -1.351 11.660 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.357 -2.349 7.842 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.423 -2.902 8.668 1.00 0.00 C ATOM 1598 C ALA A 103 -6.263 -4.410 8.834 1.00 0.00 C ATOM 1599 O ALA A 103 -5.443 -5.034 8.160 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.781 -2.577 8.064 1.00 0.00 C ATOM 0 H ALA A 103 -5.092 -2.932 7.048 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.358 -2.445 9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.568 -2.996 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.903 -1.496 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.847 -3.006 7.064 1.00 0.00 H new