USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 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 97 MET CE :methyl -163:sc= -0.0971 (180deg=-0.692) USER MOD Set 1.2: A 105 THR OG1 : rot 80:sc= 0.864 USER MOD Set 2.1: A 21 HIS : no HD1:sc= -0.0257 K(o=-0.015,f=-3.2!) USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= 0.0107 F(o=-0.87,f=-0.015) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0234 (180deg=-0.269) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 27 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.3) USER MOD Single : A 31 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.029) USER MOD Single : A 32 SER OG : rot -77:sc= 0.817 USER MOD Single : A 36 MET CE :methyl 140:sc= -0.187 (180deg=-0.789) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0602 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.591 F(o=-2.5!,f=-0.59) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.41) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.931 K(o=0.93,f=-7.2!) USER MOD Single : A 72 THR OG1 : rot 60:sc= 1.29 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.138 F(o=-0.86,f=-0.14) USER MOD Single : A 77 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.86) USER MOD Single : A 80 SER OG : rot 170:sc= -0.0311 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 28:sc= 0.767 USER MOD Single : A 89 THR OG1 : rot 74:sc= 0.948 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 99 ASN : amide:sc= -2.95 K(o=-3,f=-12!) USER MOD Single : A 106 TYR OH : rot 180:sc=-0.00497 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 111 SER OG : rot 55:sc= 1.1 USER MOD Single : A 120 MET CE :methyl -124:sc= -3.13! (180deg=-5.43!) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 8.051 13.218 -2.043 1.00 0.00 N ATOM 229 CA ARG A 15 9.249 14.019 -1.818 1.00 0.00 C ATOM 230 C ARG A 15 9.858 13.745 -0.444 1.00 0.00 C ATOM 231 O ARG A 15 11.074 13.800 -0.280 1.00 0.00 O ATOM 232 CB ARG A 15 8.915 15.508 -1.975 1.00 0.00 C ATOM 233 CG ARG A 15 10.134 16.420 -2.012 1.00 0.00 C ATOM 234 CD ARG A 15 9.742 17.868 -2.274 1.00 0.00 C ATOM 235 NE ARG A 15 9.085 18.040 -3.574 1.00 0.00 N ATOM 236 CZ ARG A 15 8.282 19.065 -3.877 1.00 0.00 C ATOM 237 NH1 ARG A 15 8.072 20.041 -3.002 1.00 0.00 N ATOM 238 NH2 ARG A 15 7.700 19.125 -5.068 1.00 0.00 N ATOM 0 HA ARG A 15 9.992 13.738 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.344 15.646 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.271 15.814 -1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.669 16.353 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.819 16.081 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.074 18.210 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.632 18.496 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 15 9.251 17.334 -4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.525 20.013 -2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.457 20.819 -3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.865 18.388 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.088 19.908 -5.298 1.00 0.00 H new ATOM 252 N ALA A 16 9.011 13.447 0.536 1.00 0.00 N ATOM 253 CA ALA A 16 9.481 13.170 1.888 1.00 0.00 C ATOM 254 C ALA A 16 8.439 12.393 2.680 1.00 0.00 C ATOM 255 O ALA A 16 7.253 12.416 2.351 1.00 0.00 O ATOM 256 CB ALA A 16 9.830 14.466 2.608 1.00 0.00 C ATOM 0 H ALA A 16 7.999 13.391 0.420 1.00 0.00 H new ATOM 0 HA ALA A 16 10.379 12.557 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.179 14.240 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.616 14.986 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.946 15.101 2.664 1.00 0.00 H new ATOM 262 N ALA A 17 8.890 11.705 3.719 1.00 0.00 N ATOM 263 CA ALA A 17 8.010 10.946 4.594 1.00 0.00 C ATOM 264 C ALA A 17 8.688 10.715 5.940 1.00 0.00 C ATOM 265 O ALA A 17 9.645 9.945 6.037 1.00 0.00 O ATOM 266 CB ALA A 17 7.629 9.616 3.953 1.00 0.00 C ATOM 0 H ALA A 17 9.875 11.658 3.978 1.00 0.00 H new ATOM 0 HA ALA A 17 7.097 11.519 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.971 9.064 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.114 9.801 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.530 9.031 3.766 1.00 0.00 H new ATOM 272 N ASP A 18 8.198 11.389 6.973 1.00 0.00 N ATOM 273 CA ASP A 18 8.817 11.315 8.297 1.00 0.00 C ATOM 274 C ASP A 18 8.166 10.242 9.158 1.00 0.00 C ATOM 275 O ASP A 18 8.562 10.029 10.305 1.00 0.00 O ATOM 276 CB ASP A 18 8.741 12.670 9.013 1.00 0.00 C ATOM 277 CG ASP A 18 7.321 13.157 9.235 1.00 0.00 C ATOM 278 OD1 ASP A 18 6.567 12.513 9.997 1.00 0.00 O ATOM 279 OD2 ASP A 18 6.959 14.204 8.663 1.00 0.00 O ATOM 0 H ASP A 18 7.377 11.992 6.923 1.00 0.00 H new ATOM 0 HA ASP A 18 9.864 11.049 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.245 12.592 9.976 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.284 13.412 8.428 1.00 0.00 H new ATOM 284 N GLY A 19 7.165 9.574 8.608 1.00 0.00 N ATOM 285 CA GLY A 19 6.484 8.532 9.345 1.00 0.00 C ATOM 286 C GLY A 19 5.116 8.968 9.822 1.00 0.00 C ATOM 287 O GLY A 19 4.160 8.194 9.777 1.00 0.00 O ATOM 0 H GLY A 19 6.812 9.735 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.382 7.650 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.090 8.241 10.203 1.00 0.00 H new ATOM 291 N ARG A 20 5.020 10.214 10.267 1.00 0.00 N ATOM 292 CA ARG A 20 3.761 10.756 10.762 1.00 0.00 C ATOM 293 C ARG A 20 3.177 11.747 9.764 1.00 0.00 C ATOM 294 O ARG A 20 1.983 12.041 9.783 1.00 0.00 O ATOM 295 CB ARG A 20 3.971 11.422 12.122 1.00 0.00 C ATOM 296 CG ARG A 20 4.438 10.457 13.202 1.00 0.00 C ATOM 297 CD ARG A 20 4.716 11.179 14.509 1.00 0.00 C ATOM 298 NE ARG A 20 5.748 12.202 14.354 1.00 0.00 N ATOM 299 CZ ARG A 20 5.811 13.312 15.083 1.00 0.00 C ATOM 300 NH1 ARG A 20 4.924 13.525 16.048 1.00 0.00 N ATOM 301 NH2 ARG A 20 6.766 14.203 14.848 1.00 0.00 N ATOM 0 H ARG A 20 5.801 10.870 10.295 1.00 0.00 H new ATOM 0 HA ARG A 20 3.052 9.937 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.705 12.221 12.017 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.037 11.886 12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.678 9.692 13.362 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.341 9.945 12.869 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.798 11.641 14.872 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.030 10.458 15.263 1.00 0.00 H new ATOM 0 HE ARG A 20 6.464 12.055 13.643 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.194 12.837 16.230 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.973 14.377 16.607 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.449 14.035 14.110 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.817 15.055 15.406 1.00 0.00 H new ATOM 315 N HIS A 21 4.032 12.274 8.902 1.00 0.00 N ATOM 316 CA HIS A 21 3.589 13.119 7.804 1.00 0.00 C ATOM 317 C HIS A 21 4.192 12.616 6.500 1.00 0.00 C ATOM 318 O HIS A 21 5.334 12.148 6.479 1.00 0.00 O ATOM 319 CB HIS A 21 3.996 14.583 8.018 1.00 0.00 C ATOM 320 CG HIS A 21 3.570 15.167 9.331 1.00 0.00 C ATOM 321 ND1 HIS A 21 2.279 15.566 9.601 1.00 0.00 N ATOM 322 CD2 HIS A 21 4.281 15.428 10.451 1.00 0.00 C ATOM 323 CE1 HIS A 21 2.216 16.045 10.829 1.00 0.00 C ATOM 324 NE2 HIS A 21 3.417 15.974 11.369 1.00 0.00 N ATOM 0 H HIS A 21 5.041 12.131 8.942 1.00 0.00 H new ATOM 0 HA HIS A 21 2.501 13.071 7.762 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.080 14.660 7.937 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.572 15.185 7.214 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.335 15.241 10.597 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.330 16.430 11.311 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.664 16.275 12.312 1.00 0.00 H new ATOM 333 N ALA A 22 3.424 12.695 5.425 1.00 0.00 N ATOM 334 CA ALA A 22 3.919 12.336 4.107 1.00 0.00 C ATOM 335 C ALA A 22 3.869 13.551 3.195 1.00 0.00 C ATOM 336 O ALA A 22 2.812 14.147 2.996 1.00 0.00 O ATOM 337 CB ALA A 22 3.110 11.190 3.519 1.00 0.00 C ATOM 0 H ALA A 22 2.453 13.006 5.440 1.00 0.00 H new ATOM 0 HA ALA A 22 4.952 12.002 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.499 10.939 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.185 10.320 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.065 11.489 3.432 1.00 0.00 H new ATOM 343 N LYS A 23 5.016 13.922 2.656 1.00 0.00 N ATOM 344 CA LYS A 23 5.121 15.129 1.860 1.00 0.00 C ATOM 345 C LYS A 23 5.063 14.811 0.372 1.00 0.00 C ATOM 346 O LYS A 23 6.062 14.406 -0.232 1.00 0.00 O ATOM 347 CB LYS A 23 6.418 15.879 2.187 1.00 0.00 C ATOM 348 CG LYS A 23 6.587 17.176 1.407 1.00 0.00 C ATOM 349 CD LYS A 23 5.552 18.217 1.808 1.00 0.00 C ATOM 350 CE LYS A 23 5.837 18.792 3.188 1.00 0.00 C ATOM 351 NZ LYS A 23 7.091 19.591 3.207 1.00 0.00 N ATOM 0 H LYS A 23 5.889 13.403 2.756 1.00 0.00 H new ATOM 0 HA LYS A 23 4.272 15.767 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.440 16.101 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.267 15.227 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.587 17.574 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.502 16.972 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.542 19.022 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.560 17.766 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.002 19.419 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.913 17.980 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.107 20.192 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.910 18.951 3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.134 20.189 2.358 1.00 0.00 H new ATOM 365 N VAL A 24 3.886 14.970 -0.206 1.00 0.00 N ATOM 366 CA VAL A 24 3.730 14.878 -1.644 1.00 0.00 C ATOM 367 C VAL A 24 3.744 16.284 -2.214 1.00 0.00 C ATOM 368 O VAL A 24 2.757 17.007 -2.112 1.00 0.00 O ATOM 369 CB VAL A 24 2.424 14.160 -2.049 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.342 14.002 -3.560 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.322 12.807 -1.363 1.00 0.00 C ATOM 0 H VAL A 24 3.023 15.164 0.301 1.00 0.00 H new ATOM 0 HA VAL A 24 4.553 14.285 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 24 1.583 14.773 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.414 13.494 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.363 14.985 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.190 13.414 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.395 12.317 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.170 12.187 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.327 12.946 -0.282 1.00 0.00 H new ATOM 381 N ASN A 25 4.886 16.672 -2.772 1.00 0.00 N ATOM 382 CA ASN A 25 5.107 18.041 -3.231 1.00 0.00 C ATOM 383 C ASN A 25 5.037 19.005 -2.049 1.00 0.00 C ATOM 384 O ASN A 25 5.967 19.070 -1.245 1.00 0.00 O ATOM 385 CB ASN A 25 4.100 18.441 -4.318 1.00 0.00 C ATOM 386 CG ASN A 25 4.142 17.520 -5.522 1.00 0.00 C ATOM 387 OD1 ASN A 25 5.191 16.977 -5.874 1.00 0.00 O ATOM 388 ND2 ASN A 25 2.997 17.330 -6.159 1.00 0.00 N ATOM 0 H ASN A 25 5.682 16.051 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 25 6.101 18.094 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.095 18.435 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.305 19.462 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.962 16.716 -6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.150 17.798 -5.836 1.00 0.00 H new ATOM 395 N GLU A 26 3.930 19.725 -1.922 1.00 0.00 N ATOM 396 CA GLU A 26 3.728 20.615 -0.785 1.00 0.00 C ATOM 397 C GLU A 26 2.523 20.161 0.028 1.00 0.00 C ATOM 398 O GLU A 26 2.145 20.797 1.015 1.00 0.00 O ATOM 399 CB GLU A 26 3.523 22.068 -1.230 1.00 0.00 C ATOM 400 CG GLU A 26 4.768 22.745 -1.788 1.00 0.00 C ATOM 401 CD GLU A 26 5.071 22.344 -3.215 1.00 0.00 C ATOM 402 OE1 GLU A 26 4.216 22.572 -4.090 1.00 0.00 O ATOM 403 OE2 GLU A 26 6.181 21.836 -3.479 1.00 0.00 O ATOM 0 H GLU A 26 3.160 19.711 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 26 4.628 20.570 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.741 22.094 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.162 22.646 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.639 23.826 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.622 22.498 -1.158 1.00 0.00 H new ATOM 410 N GLN A 27 1.922 19.063 -0.392 1.00 0.00 N ATOM 411 CA GLN A 27 0.741 18.536 0.268 1.00 0.00 C ATOM 412 C GLN A 27 1.132 17.496 1.306 1.00 0.00 C ATOM 413 O GLN A 27 1.705 16.456 0.974 1.00 0.00 O ATOM 414 CB GLN A 27 -0.223 17.919 -0.755 1.00 0.00 C ATOM 415 CG GLN A 27 -0.921 18.936 -1.653 1.00 0.00 C ATOM 416 CD GLN A 27 0.005 19.613 -2.653 1.00 0.00 C ATOM 417 OE1 GLN A 27 0.983 19.031 -3.117 1.00 0.00 O ATOM 418 NE2 GLN A 27 -0.297 20.858 -2.979 1.00 0.00 N ATOM 0 H GLN A 27 2.235 18.515 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 27 0.235 19.362 0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.330 17.218 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.979 17.343 -0.222 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.723 18.436 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.386 19.699 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.118 21.307 -2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.291 21.370 -3.637 1.00 0.00 H new ATOM 427 N ILE A 28 0.844 17.785 2.567 1.00 0.00 N ATOM 428 CA ILE A 28 1.146 16.852 3.637 1.00 0.00 C ATOM 429 C ILE A 28 -0.032 15.919 3.874 1.00 0.00 C ATOM 430 O ILE A 28 -1.042 16.304 4.466 1.00 0.00 O ATOM 431 CB ILE A 28 1.502 17.569 4.960 1.00 0.00 C ATOM 432 CG1 ILE A 28 2.694 18.509 4.760 1.00 0.00 C ATOM 433 CG2 ILE A 28 1.810 16.548 6.047 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.146 19.198 6.033 1.00 0.00 C ATOM 0 H ILE A 28 0.404 18.654 2.871 1.00 0.00 H new ATOM 0 HA ILE A 28 2.018 16.280 3.319 1.00 0.00 H new ATOM 0 HB ILE A 28 0.644 18.164 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.528 17.941 4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.429 19.266 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.059 17.066 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.938 15.915 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.654 15.931 5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.994 19.847 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.327 19.794 6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.443 18.449 6.767 1.00 0.00 H new ATOM 446 N LEU A 29 0.094 14.699 3.388 1.00 0.00 N ATOM 447 CA LEU A 29 -0.919 13.686 3.608 1.00 0.00 C ATOM 448 C LEU A 29 -0.643 12.997 4.936 1.00 0.00 C ATOM 449 O LEU A 29 0.339 12.273 5.082 1.00 0.00 O ATOM 450 CB LEU A 29 -0.928 12.691 2.446 1.00 0.00 C ATOM 451 CG LEU A 29 -1.232 13.315 1.079 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.135 12.276 -0.026 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.611 13.959 1.080 1.00 0.00 C ATOM 0 H LEU A 29 0.892 14.385 2.836 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.908 14.143 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.043 12.198 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.668 11.918 2.652 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.487 14.087 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.355 12.744 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.128 11.861 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.853 11.477 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.809 14.397 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.365 13.203 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.648 14.739 1.840 1.00 0.00 H new ATOM 465 N GLN A 30 -1.500 13.253 5.913 1.00 0.00 N ATOM 466 CA GLN A 30 -1.220 12.863 7.288 1.00 0.00 C ATOM 467 C GLN A 30 -1.942 11.590 7.704 1.00 0.00 C ATOM 468 O GLN A 30 -1.857 11.199 8.864 1.00 0.00 O ATOM 469 CB GLN A 30 -1.616 13.990 8.241 1.00 0.00 C ATOM 470 CG GLN A 30 -0.877 15.289 7.988 1.00 0.00 C ATOM 471 CD GLN A 30 -1.215 16.369 8.999 1.00 0.00 C ATOM 472 OE1 GLN A 30 -2.437 16.352 9.511 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 -0.379 17.214 9.315 1.00 0.00 N flip ATOM 0 H GLN A 30 -2.393 13.728 5.781 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.149 12.668 7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.688 14.169 8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.429 13.670 9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.196 15.101 8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.116 15.648 6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.551 17.192 8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.616 17.937 9.995 1.00 0.00 H new ATOM 482 N GLN A 31 -2.663 10.951 6.786 1.00 0.00 N ATOM 483 CA GLN A 31 -3.390 9.733 7.140 1.00 0.00 C ATOM 484 C GLN A 31 -3.363 8.695 6.018 1.00 0.00 C ATOM 485 O GLN A 31 -2.422 7.912 5.915 1.00 0.00 O ATOM 486 CB GLN A 31 -4.842 10.037 7.542 1.00 0.00 C ATOM 487 CG GLN A 31 -4.970 10.966 8.741 1.00 0.00 C ATOM 488 CD GLN A 31 -6.376 11.009 9.304 1.00 0.00 C ATOM 489 OE1 GLN A 31 -7.211 11.796 8.864 1.00 0.00 O ATOM 490 NE2 GLN A 31 -6.637 10.180 10.302 1.00 0.00 N ATOM 0 H GLN A 31 -2.760 11.246 5.814 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.872 9.309 8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.358 10.484 6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.350 9.099 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.281 10.642 9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.670 11.972 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.915 9.542 10.637 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.560 10.179 10.736 1.00 0.00 H new ATOM 499 N SER A 32 -4.378 8.701 5.166 1.00 0.00 N ATOM 500 CA SER A 32 -4.571 7.612 4.217 1.00 0.00 C ATOM 501 C SER A 32 -4.411 8.069 2.772 1.00 0.00 C ATOM 502 O SER A 32 -4.936 9.115 2.382 1.00 0.00 O ATOM 503 CB SER A 32 -5.970 7.030 4.402 1.00 0.00 C ATOM 504 OG SER A 32 -6.304 6.929 5.774 1.00 0.00 O ATOM 0 H SER A 32 -5.077 9.442 5.111 1.00 0.00 H new ATOM 0 HA SER A 32 -3.806 6.862 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.699 7.660 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.021 6.045 3.939 1.00 0.00 H new ATOM 0 HG SER A 32 -5.846 6.157 6.166 1.00 0.00 H new ATOM 510 N PHE A 33 -3.672 7.280 1.993 1.00 0.00 N ATOM 511 CA PHE A 33 -3.616 7.448 0.542 1.00 0.00 C ATOM 512 C PHE A 33 -2.889 6.265 -0.092 1.00 0.00 C ATOM 513 O PHE A 33 -2.043 5.637 0.545 1.00 0.00 O ATOM 514 CB PHE A 33 -2.933 8.768 0.147 1.00 0.00 C ATOM 515 CG PHE A 33 -1.460 8.835 0.443 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.006 9.094 1.725 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.531 8.660 -0.572 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.347 9.176 1.992 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.823 8.739 -0.311 1.00 0.00 C ATOM 520 CZ PHE A 33 1.263 8.997 0.972 1.00 0.00 C ATOM 0 H PHE A 33 -3.100 6.513 2.346 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.640 7.485 0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.082 8.931 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.430 9.587 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.718 9.234 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.870 8.460 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.689 9.380 2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.537 8.599 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.321 9.059 1.179 1.00 0.00 H new ATOM 530 N ILE A 34 -3.235 5.946 -1.335 1.00 0.00 N ATOM 531 CA ILE A 34 -2.569 4.862 -2.048 1.00 0.00 C ATOM 532 C ILE A 34 -1.951 5.385 -3.338 1.00 0.00 C ATOM 533 O ILE A 34 -2.610 6.076 -4.119 1.00 0.00 O ATOM 534 CB ILE A 34 -3.532 3.699 -2.381 1.00 0.00 C ATOM 535 CG1 ILE A 34 -4.292 3.249 -1.132 1.00 0.00 C ATOM 536 CG2 ILE A 34 -2.761 2.529 -2.982 1.00 0.00 C ATOM 537 CD1 ILE A 34 -5.362 2.218 -1.418 1.00 0.00 C ATOM 0 H ILE A 34 -3.967 6.418 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.793 4.477 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.257 4.054 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.583 2.837 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.752 4.119 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.452 1.718 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.264 2.852 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.015 2.180 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.861 1.944 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.092 2.634 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.905 1.332 -1.859 1.00 0.00 H new ATOM 549 N LEU A 35 -0.685 5.069 -3.548 1.00 0.00 N ATOM 550 CA LEU A 35 0.020 5.509 -4.742 1.00 0.00 C ATOM 551 C LEU A 35 0.318 4.325 -5.653 1.00 0.00 C ATOM 552 O LEU A 35 0.926 3.342 -5.233 1.00 0.00 O ATOM 553 CB LEU A 35 1.317 6.225 -4.355 1.00 0.00 C ATOM 554 CG LEU A 35 2.131 6.790 -5.523 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.323 7.829 -6.287 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.433 7.393 -5.017 1.00 0.00 C ATOM 0 H LEU A 35 -0.123 4.509 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.617 6.208 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.072 7.042 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.945 5.528 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 35 2.369 5.974 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.919 8.218 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.416 7.368 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.054 8.646 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.001 7.791 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.213 8.197 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.019 6.624 -4.515 1.00 0.00 H new ATOM 568 N MET A 36 -0.138 4.415 -6.889 1.00 0.00 N ATOM 569 CA MET A 36 0.127 3.393 -7.889 1.00 0.00 C ATOM 570 C MET A 36 0.768 4.041 -9.114 1.00 0.00 C ATOM 571 O MET A 36 0.723 5.266 -9.252 1.00 0.00 O ATOM 572 CB MET A 36 -1.172 2.676 -8.278 1.00 0.00 C ATOM 573 CG MET A 36 -1.837 1.941 -7.125 1.00 0.00 C ATOM 574 SD MET A 36 -3.336 1.070 -7.623 1.00 0.00 S ATOM 575 CE MET A 36 -2.671 -0.097 -8.807 1.00 0.00 C ATOM 0 H MET A 36 -0.701 5.195 -7.229 1.00 0.00 H new ATOM 0 HA MET A 36 0.811 2.652 -7.475 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.872 3.407 -8.683 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.958 1.964 -9.075 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.132 1.227 -6.700 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.081 2.654 -6.338 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.164 -1.061 -8.684 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.843 0.272 -9.818 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.600 -0.214 -8.641 1.00 0.00 H new ATOM 585 N PRO A 37 1.392 3.246 -10.006 1.00 0.00 N ATOM 586 CA PRO A 37 2.032 3.765 -11.221 1.00 0.00 C ATOM 587 C PRO A 37 1.097 4.653 -12.044 1.00 0.00 C ATOM 588 O PRO A 37 0.201 4.158 -12.731 1.00 0.00 O ATOM 589 CB PRO A 37 2.398 2.501 -12.000 1.00 0.00 C ATOM 590 CG PRO A 37 2.535 1.444 -10.961 1.00 0.00 C ATOM 591 CD PRO A 37 1.532 1.781 -9.895 1.00 0.00 C ATOM 0 HA PRO A 37 2.887 4.400 -10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.626 2.245 -12.726 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.326 2.633 -12.556 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.342 0.457 -11.381 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.546 1.425 -10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.582 1.273 -10.062 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.882 1.485 -8.906 1.00 0.00 H new ATOM 599 N ASP A 38 1.306 5.970 -11.933 1.00 0.00 N ATOM 600 CA ASP A 38 0.488 6.973 -12.624 1.00 0.00 C ATOM 601 C ASP A 38 -0.961 6.922 -12.151 1.00 0.00 C ATOM 602 O ASP A 38 -1.864 7.420 -12.824 1.00 0.00 O ATOM 603 CB ASP A 38 0.550 6.798 -14.145 1.00 0.00 C ATOM 604 CG ASP A 38 1.903 7.158 -14.720 1.00 0.00 C ATOM 605 OD1 ASP A 38 2.381 8.284 -14.467 1.00 0.00 O ATOM 606 OD2 ASP A 38 2.488 6.323 -15.444 1.00 0.00 O ATOM 0 H ASP A 38 2.049 6.371 -11.360 1.00 0.00 H new ATOM 0 HA ASP A 38 0.902 7.950 -12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.316 5.764 -14.397 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.215 7.420 -14.610 1.00 0.00 H new ATOM 611 N GLU A 39 -1.171 6.349 -10.976 1.00 0.00 N ATOM 612 CA GLU A 39 -2.506 6.201 -10.424 1.00 0.00 C ATOM 613 C GLU A 39 -2.531 6.670 -8.973 1.00 0.00 C ATOM 614 O GLU A 39 -2.025 5.988 -8.086 1.00 0.00 O ATOM 615 CB GLU A 39 -2.946 4.737 -10.495 1.00 0.00 C ATOM 616 CG GLU A 39 -4.409 4.549 -10.851 1.00 0.00 C ATOM 617 CD GLU A 39 -4.664 4.702 -12.336 1.00 0.00 C ATOM 618 OE1 GLU A 39 -4.521 3.699 -13.069 1.00 0.00 O ATOM 619 OE2 GLU A 39 -5.003 5.818 -12.780 1.00 0.00 O ATOM 0 H GLU A 39 -0.428 5.977 -10.384 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.193 6.812 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.334 4.220 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.753 4.263 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.735 3.560 -10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.010 5.276 -10.305 1.00 0.00 H new ATOM 626 N LEU A 40 -3.099 7.837 -8.732 1.00 0.00 N ATOM 627 CA LEU A 40 -3.206 8.350 -7.375 1.00 0.00 C ATOM 628 C LEU A 40 -4.588 8.048 -6.814 1.00 0.00 C ATOM 629 O LEU A 40 -5.595 8.517 -7.341 1.00 0.00 O ATOM 630 CB LEU A 40 -2.934 9.857 -7.340 1.00 0.00 C ATOM 631 CG LEU A 40 -2.947 10.489 -5.945 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.875 9.865 -5.064 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.749 11.993 -6.041 1.00 0.00 C ATOM 0 H LEU A 40 -3.491 8.445 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.456 7.856 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.963 10.046 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.680 10.359 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.919 10.297 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.900 10.327 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.060 8.795 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.895 10.025 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.761 12.426 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.791 12.204 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.553 12.429 -6.635 1.00 0.00 H new ATOM 645 N VAL A 41 -4.636 7.250 -5.759 1.00 0.00 N ATOM 646 CA VAL A 41 -5.904 6.876 -5.157 1.00 0.00 C ATOM 647 C VAL A 41 -6.210 7.767 -3.962 1.00 0.00 C ATOM 648 O VAL A 41 -5.615 7.618 -2.887 1.00 0.00 O ATOM 649 CB VAL A 41 -5.915 5.404 -4.707 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.307 4.990 -4.250 1.00 0.00 C ATOM 651 CG2 VAL A 41 -5.417 4.496 -5.822 1.00 0.00 C ATOM 0 H VAL A 41 -3.815 6.851 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.670 7.007 -5.921 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.237 5.302 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.292 3.946 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.616 5.616 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.011 5.111 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.433 3.460 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.063 4.602 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.398 4.774 -6.090 1.00 0.00 H new ATOM 661 N GLU A 42 -7.118 8.706 -4.174 1.00 0.00 N ATOM 662 CA GLU A 42 -7.555 9.614 -3.129 1.00 0.00 C ATOM 663 C GLU A 42 -8.923 9.161 -2.618 1.00 0.00 C ATOM 664 O GLU A 42 -9.700 8.572 -3.375 1.00 0.00 O ATOM 665 CB GLU A 42 -7.604 11.043 -3.698 1.00 0.00 C ATOM 666 CG GLU A 42 -7.668 12.160 -2.660 1.00 0.00 C ATOM 667 CD GLU A 42 -9.053 12.372 -2.087 1.00 0.00 C ATOM 668 OE1 GLU A 42 -9.985 12.670 -2.866 1.00 0.00 O ATOM 669 OE2 GLU A 42 -9.210 12.257 -0.854 1.00 0.00 O ATOM 0 H GLU A 42 -7.572 8.859 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.860 9.606 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.723 11.198 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.473 11.126 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.978 11.930 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.326 13.089 -3.116 1.00 0.00 H new ATOM 676 N HIS A 43 -9.195 9.424 -1.340 1.00 0.00 N ATOM 677 CA HIS A 43 -10.446 9.033 -0.686 1.00 0.00 C ATOM 678 C HIS A 43 -10.469 7.535 -0.396 1.00 0.00 C ATOM 679 O HIS A 43 -10.947 6.732 -1.197 1.00 0.00 O ATOM 680 CB HIS A 43 -11.677 9.464 -1.503 1.00 0.00 C ATOM 681 CG HIS A 43 -12.990 9.026 -0.919 1.00 0.00 C ATOM 682 ND1 HIS A 43 -13.549 9.602 0.198 1.00 0.00 N ATOM 683 CD2 HIS A 43 -13.851 8.058 -1.309 1.00 0.00 C ATOM 684 CE1 HIS A 43 -14.698 9.010 0.469 1.00 0.00 C ATOM 685 NE2 HIS A 43 -14.908 8.068 -0.432 1.00 0.00 N ATOM 0 H HIS A 43 -8.549 9.918 -0.724 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.493 9.559 0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.677 10.550 -1.593 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.589 9.061 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.729 7.398 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.356 9.255 1.290 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.719 7.451 -0.470 1.00 0.00 H new ATOM 694 N TRP A 44 -9.918 7.180 0.755 1.00 0.00 N ATOM 695 CA TRP A 44 -9.912 5.807 1.235 1.00 0.00 C ATOM 696 C TRP A 44 -9.593 5.819 2.728 1.00 0.00 C ATOM 697 O TRP A 44 -8.445 5.665 3.130 1.00 0.00 O ATOM 698 CB TRP A 44 -8.885 4.972 0.459 1.00 0.00 C ATOM 699 CG TRP A 44 -8.941 3.503 0.752 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.967 2.647 0.470 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.917 2.713 1.365 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.648 1.375 0.882 1.00 0.00 N ATOM 703 CE2 TRP A 44 -8.391 1.390 1.430 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.641 2.998 1.865 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.637 0.356 1.975 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.894 1.969 2.406 1.00 0.00 C ATOM 707 CH2 TRP A 44 -6.392 0.663 2.456 1.00 0.00 C ATOM 0 H TRP A 44 -9.461 7.839 1.385 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.889 5.351 1.076 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -9.042 5.124 -0.609 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.885 5.339 0.690 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.894 2.928 -0.007 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.248 0.555 0.794 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.248 4.003 1.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.020 -0.653 2.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.909 2.177 2.797 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.782 -0.120 2.883 1.00 0.00 H new ATOM 718 N PRO A 45 -10.615 6.056 3.565 1.00 0.00 N ATOM 719 CA PRO A 45 -10.434 6.279 5.004 1.00 0.00 C ATOM 720 C PRO A 45 -9.895 5.064 5.754 1.00 0.00 C ATOM 721 O PRO A 45 -10.628 4.105 6.013 1.00 0.00 O ATOM 722 CB PRO A 45 -11.844 6.626 5.505 1.00 0.00 C ATOM 723 CG PRO A 45 -12.628 6.960 4.281 1.00 0.00 C ATOM 724 CD PRO A 45 -12.030 6.140 3.176 1.00 0.00 C ATOM 0 HA PRO A 45 -9.692 7.058 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.289 5.787 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.819 7.467 6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.683 6.724 4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.566 8.025 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.491 5.154 3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.155 6.618 2.204 1.00 0.00 H new ATOM 732 N VAL A 46 -8.603 5.101 6.065 1.00 0.00 N ATOM 733 CA VAL A 46 -7.971 4.123 6.948 1.00 0.00 C ATOM 734 C VAL A 46 -6.925 4.836 7.804 1.00 0.00 C ATOM 735 O VAL A 46 -5.744 4.858 7.462 1.00 0.00 O ATOM 736 CB VAL A 46 -7.286 2.961 6.181 1.00 0.00 C ATOM 737 CG1 VAL A 46 -6.722 1.932 7.153 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.248 2.292 5.214 1.00 0.00 C ATOM 0 H VAL A 46 -7.962 5.811 5.712 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.759 3.683 7.560 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.466 3.388 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.246 1.126 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.986 2.408 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.530 1.524 7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.736 1.483 4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.097 1.889 5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.602 3.024 4.488 1.00 0.00 H new ATOM 748 N PRO A 47 -7.356 5.473 8.906 1.00 0.00 N ATOM 749 CA PRO A 47 -6.465 6.274 9.755 1.00 0.00 C ATOM 750 C PRO A 47 -5.389 5.431 10.432 1.00 0.00 C ATOM 751 O PRO A 47 -4.269 5.881 10.644 1.00 0.00 O ATOM 752 CB PRO A 47 -7.409 6.879 10.802 1.00 0.00 C ATOM 753 CG PRO A 47 -8.609 5.995 10.803 1.00 0.00 C ATOM 754 CD PRO A 47 -8.744 5.474 9.401 1.00 0.00 C ATOM 0 HA PRO A 47 -5.919 7.018 9.175 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.940 6.907 11.786 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.675 7.905 10.546 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.490 5.177 11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.500 6.548 11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.178 4.474 9.383 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.387 6.112 8.795 1.00 0.00 H new ATOM 762 N SER A 48 -5.740 4.204 10.769 1.00 0.00 N ATOM 763 CA SER A 48 -4.818 3.298 11.427 1.00 0.00 C ATOM 764 C SER A 48 -5.167 1.864 11.061 1.00 0.00 C ATOM 765 O SER A 48 -6.304 1.582 10.668 1.00 0.00 O ATOM 766 CB SER A 48 -4.883 3.492 12.943 1.00 0.00 C ATOM 767 OG SER A 48 -4.653 4.847 13.292 1.00 0.00 O ATOM 0 H SER A 48 -6.665 3.810 10.596 1.00 0.00 H new ATOM 0 HA SER A 48 -3.802 3.512 11.095 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.860 3.178 13.312 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.141 2.857 13.427 1.00 0.00 H new ATOM 0 HG SER A 48 -4.701 4.947 14.266 1.00 0.00 H new ATOM 773 N LEU A 49 -4.198 0.968 11.176 1.00 0.00 N ATOM 774 CA LEU A 49 -4.431 -0.431 10.869 1.00 0.00 C ATOM 775 C LEU A 49 -5.296 -1.064 11.953 1.00 0.00 C ATOM 776 O LEU A 49 -4.815 -1.443 13.019 1.00 0.00 O ATOM 777 CB LEU A 49 -3.108 -1.187 10.723 1.00 0.00 C ATOM 778 CG LEU A 49 -3.234 -2.632 10.230 1.00 0.00 C ATOM 779 CD1 LEU A 49 -3.942 -2.677 8.885 1.00 0.00 C ATOM 780 CD2 LEU A 49 -1.864 -3.281 10.127 1.00 0.00 C ATOM 0 H LEU A 49 -3.248 1.185 11.478 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.958 -0.494 9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.469 -0.638 10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.602 -1.192 11.689 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.829 -3.190 10.953 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.022 -3.711 8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.940 -2.249 8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.372 -2.103 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.973 -4.307 9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.248 -2.720 9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.387 -3.282 11.107 1.00 0.00 H new ATOM 792 N GLY A 50 -6.586 -1.129 11.675 1.00 0.00 N ATOM 793 CA GLY A 50 -7.535 -1.683 12.616 1.00 0.00 C ATOM 794 C GLY A 50 -8.944 -1.601 12.077 1.00 0.00 C ATOM 795 O GLY A 50 -9.736 -2.524 12.243 1.00 0.00 O ATOM 0 H GLY A 50 -6.999 -0.803 10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.281 -2.723 12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.472 -1.144 13.561 1.00 0.00 H new ATOM 799 N GLN A 51 -9.244 -0.491 11.410 1.00 0.00 N ATOM 800 CA GLN A 51 -10.541 -0.304 10.768 1.00 0.00 C ATOM 801 C GLN A 51 -10.485 -0.804 9.326 1.00 0.00 C ATOM 802 O GLN A 51 -11.399 -0.574 8.533 1.00 0.00 O ATOM 803 CB GLN A 51 -10.960 1.175 10.786 1.00 0.00 C ATOM 804 CG GLN A 51 -11.132 1.766 12.182 1.00 0.00 C ATOM 805 CD GLN A 51 -9.813 2.103 12.858 1.00 0.00 C ATOM 806 OE1 GLN A 51 -8.817 2.479 12.071 1.00 0.00 O flip ATOM 807 NE2 GLN A 51 -9.694 2.042 14.077 1.00 0.00 N flip ATOM 0 H GLN A 51 -8.604 0.295 11.300 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.281 -0.878 11.326 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.213 1.758 10.248 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.899 1.280 10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.739 2.669 12.115 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.681 1.058 12.804 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.483 1.748 14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.806 2.285 14.516 1.00 0.00 H new ATOM 816 N LEU A 52 -9.403 -1.493 8.997 1.00 0.00 N ATOM 817 CA LEU A 52 -9.203 -1.998 7.650 1.00 0.00 C ATOM 818 C LEU A 52 -9.803 -3.389 7.511 1.00 0.00 C ATOM 819 O LEU A 52 -9.182 -4.388 7.871 1.00 0.00 O ATOM 820 CB LEU A 52 -7.713 -2.021 7.291 1.00 0.00 C ATOM 821 CG LEU A 52 -7.394 -2.516 5.877 1.00 0.00 C ATOM 822 CD1 LEU A 52 -8.099 -1.656 4.839 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.894 -2.514 5.638 1.00 0.00 C ATOM 0 H LEU A 52 -8.649 -1.715 9.647 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.710 -1.327 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.312 -1.014 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.192 -2.656 8.008 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.757 -3.539 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.861 -2.022 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.176 -1.706 4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.766 -0.623 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.686 -2.869 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.509 -1.501 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.410 -3.171 6.360 1.00 0.00 H new ATOM 835 N GLN A 53 -11.026 -3.433 7.015 1.00 0.00 N ATOM 836 CA GLN A 53 -11.719 -4.689 6.782 1.00 0.00 C ATOM 837 C GLN A 53 -11.587 -5.088 5.315 1.00 0.00 C ATOM 838 O GLN A 53 -11.371 -4.229 4.459 1.00 0.00 O ATOM 839 CB GLN A 53 -13.195 -4.545 7.157 1.00 0.00 C ATOM 840 CG GLN A 53 -13.422 -4.219 8.623 1.00 0.00 C ATOM 841 CD GLN A 53 -14.879 -3.961 8.940 1.00 0.00 C ATOM 842 OE1 GLN A 53 -15.630 -4.877 9.267 1.00 0.00 O ATOM 843 NE2 GLN A 53 -15.289 -2.706 8.846 1.00 0.00 N ATOM 0 H GLN A 53 -11.565 -2.605 6.763 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.271 -5.466 7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.641 -3.761 6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.715 -5.472 6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.061 -5.045 9.236 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.834 -3.342 8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.633 -1.975 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.261 -2.470 9.048 1.00 0.00 H new ATOM 852 N PRO A 54 -11.724 -6.389 5.001 1.00 0.00 N ATOM 853 CA PRO A 54 -11.643 -6.890 3.621 1.00 0.00 C ATOM 854 C PRO A 54 -12.642 -6.201 2.695 1.00 0.00 C ATOM 855 O PRO A 54 -12.389 -6.038 1.505 1.00 0.00 O ATOM 856 CB PRO A 54 -11.984 -8.376 3.751 1.00 0.00 C ATOM 857 CG PRO A 54 -11.663 -8.719 5.162 1.00 0.00 C ATOM 858 CD PRO A 54 -11.946 -7.481 5.966 1.00 0.00 C ATOM 0 HA PRO A 54 -10.663 -6.702 3.183 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.035 -8.561 3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.400 -8.978 3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.270 -9.556 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.620 -9.019 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.966 -7.476 6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.281 -7.399 6.825 1.00 0.00 H new ATOM 866 N ALA A 55 -13.768 -5.781 3.261 1.00 0.00 N ATOM 867 CA ALA A 55 -14.797 -5.084 2.502 1.00 0.00 C ATOM 868 C ALA A 55 -14.340 -3.676 2.131 1.00 0.00 C ATOM 869 O ALA A 55 -14.840 -3.077 1.180 1.00 0.00 O ATOM 870 CB ALA A 55 -16.087 -5.026 3.303 1.00 0.00 C ATOM 0 H ALA A 55 -13.991 -5.912 4.248 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.977 -5.636 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.850 -4.503 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.427 -6.039 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.911 -4.495 4.238 1.00 0.00 H new ATOM 876 N HIS A 56 -13.377 -3.157 2.881 1.00 0.00 N ATOM 877 CA HIS A 56 -12.866 -1.814 2.647 1.00 0.00 C ATOM 878 C HIS A 56 -11.566 -1.879 1.847 1.00 0.00 C ATOM 879 O HIS A 56 -11.247 -0.970 1.081 1.00 0.00 O ATOM 880 CB HIS A 56 -12.649 -1.092 3.980 1.00 0.00 C ATOM 881 CG HIS A 56 -12.433 0.385 3.847 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.421 1.253 3.441 1.00 0.00 N ATOM 883 CD2 HIS A 56 -11.343 1.146 4.088 1.00 0.00 C ATOM 884 CE1 HIS A 56 -12.948 2.485 3.440 1.00 0.00 C ATOM 885 NE2 HIS A 56 -11.686 2.451 3.834 1.00 0.00 N ATOM 0 H HIS A 56 -12.934 -3.647 3.658 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.598 -1.251 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -13.514 -1.266 4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.787 -1.531 4.483 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.378 0.792 4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -13.499 3.372 3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.071 3.259 3.933 1.00 0.00 H new ATOM 894 N MET A 57 -10.828 -2.968 2.032 1.00 0.00 N ATOM 895 CA MET A 57 -9.618 -3.232 1.254 1.00 0.00 C ATOM 896 C MET A 57 -10.010 -3.706 -0.145 1.00 0.00 C ATOM 897 O MET A 57 -9.188 -3.782 -1.060 1.00 0.00 O ATOM 898 CB MET A 57 -8.771 -4.298 1.958 1.00 0.00 C ATOM 899 CG MET A 57 -7.380 -4.479 1.369 1.00 0.00 C ATOM 900 SD MET A 57 -6.356 -3.006 1.547 1.00 0.00 S ATOM 901 CE MET A 57 -4.812 -3.577 0.841 1.00 0.00 C ATOM 0 H MET A 57 -11.047 -3.689 2.719 1.00 0.00 H new ATOM 0 HA MET A 57 -9.030 -2.318 1.170 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.676 -4.033 3.011 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.298 -5.251 1.916 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.889 -5.320 1.858 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.467 -4.731 0.312 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.076 -2.774 0.879 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.446 -4.432 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.973 -3.872 -0.196 1.00 0.00 H new ATOM 911 N ASP A 58 -11.295 -4.016 -0.281 1.00 0.00 N ATOM 912 CA ASP A 58 -11.891 -4.467 -1.536 1.00 0.00 C ATOM 913 C ASP A 58 -11.620 -3.485 -2.673 1.00 0.00 C ATOM 914 O ASP A 58 -11.455 -3.889 -3.822 1.00 0.00 O ATOM 915 CB ASP A 58 -13.398 -4.646 -1.336 1.00 0.00 C ATOM 916 CG ASP A 58 -14.124 -5.060 -2.596 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.166 -6.272 -2.894 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.678 -4.173 -3.281 1.00 0.00 O ATOM 0 H ASP A 58 -11.963 -3.961 0.488 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.437 -5.418 -1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.568 -5.396 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.823 -3.711 -0.971 1.00 0.00 H new ATOM 923 N ALA A 59 -11.559 -2.198 -2.342 1.00 0.00 N ATOM 924 CA ALA A 59 -11.275 -1.160 -3.327 1.00 0.00 C ATOM 925 C ALA A 59 -9.927 -1.404 -4.000 1.00 0.00 C ATOM 926 O ALA A 59 -9.799 -1.306 -5.222 1.00 0.00 O ATOM 927 CB ALA A 59 -11.296 0.209 -2.669 1.00 0.00 C ATOM 0 H ALA A 59 -11.703 -1.849 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.050 -1.194 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.083 0.975 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.280 0.389 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.541 0.247 -1.884 1.00 0.00 H new ATOM 933 N VAL A 60 -8.933 -1.751 -3.194 1.00 0.00 N ATOM 934 CA VAL A 60 -7.598 -2.027 -3.704 1.00 0.00 C ATOM 935 C VAL A 60 -7.623 -3.277 -4.573 1.00 0.00 C ATOM 936 O VAL A 60 -6.952 -3.350 -5.602 1.00 0.00 O ATOM 937 CB VAL A 60 -6.588 -2.221 -2.555 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.168 -2.327 -3.092 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.701 -1.089 -1.548 1.00 0.00 C ATOM 0 H VAL A 60 -9.027 -1.848 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.282 -1.170 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.826 -3.156 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.474 -2.463 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.097 -3.179 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.914 -1.414 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.981 -1.243 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.495 -0.140 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.709 -1.070 -1.133 1.00 0.00 H new ATOM 949 N LEU A 61 -8.423 -4.252 -4.159 1.00 0.00 N ATOM 950 CA LEU A 61 -8.576 -5.493 -4.910 1.00 0.00 C ATOM 951 C LEU A 61 -9.261 -5.232 -6.252 1.00 0.00 C ATOM 952 O LEU A 61 -8.964 -5.894 -7.247 1.00 0.00 O ATOM 953 CB LEU A 61 -9.378 -6.513 -4.097 1.00 0.00 C ATOM 954 CG LEU A 61 -8.760 -6.902 -2.750 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.665 -7.873 -2.008 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.378 -7.507 -2.948 1.00 0.00 C ATOM 0 H LEU A 61 -8.978 -4.207 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.583 -5.900 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.375 -6.109 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.502 -7.415 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.656 -5.999 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.210 -8.138 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.633 -7.405 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.802 -8.773 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.957 -7.776 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.457 -8.399 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.729 -6.780 -3.436 1.00 0.00 H new ATOM 968 N ALA A 62 -10.169 -4.259 -6.270 1.00 0.00 N ATOM 969 CA ALA A 62 -10.880 -3.881 -7.488 1.00 0.00 C ATOM 970 C ALA A 62 -9.938 -3.232 -8.496 1.00 0.00 C ATOM 971 O ALA A 62 -10.133 -3.349 -9.706 1.00 0.00 O ATOM 972 CB ALA A 62 -12.027 -2.938 -7.162 1.00 0.00 C ATOM 0 H ALA A 62 -10.431 -3.715 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.284 -4.789 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.547 -2.666 -8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.723 -3.432 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.635 -2.039 -6.687 1.00 0.00 H new ATOM 978 N LEU A 63 -8.922 -2.543 -7.987 1.00 0.00 N ATOM 979 CA LEU A 63 -7.901 -1.939 -8.841 1.00 0.00 C ATOM 980 C LEU A 63 -6.984 -3.012 -9.426 1.00 0.00 C ATOM 981 O LEU A 63 -6.290 -2.779 -10.417 1.00 0.00 O ATOM 982 CB LEU A 63 -7.080 -0.923 -8.043 1.00 0.00 C ATOM 983 CG LEU A 63 -7.883 0.239 -7.452 1.00 0.00 C ATOM 984 CD1 LEU A 63 -6.986 1.128 -6.608 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.548 1.048 -8.556 1.00 0.00 C ATOM 0 H LEU A 63 -8.782 -2.388 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.399 -1.425 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.574 -1.445 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.305 -0.516 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.663 -0.173 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.572 1.949 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.557 0.544 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.185 1.530 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.114 1.869 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.785 1.450 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.222 0.405 -9.122 1.00 0.00 H new ATOM 997 N ASN A 64 -7.011 -4.188 -8.799 1.00 0.00 N ATOM 998 CA ASN A 64 -6.216 -5.349 -9.217 1.00 0.00 C ATOM 999 C ASN A 64 -4.719 -5.074 -9.149 1.00 0.00 C ATOM 1000 O ASN A 64 -4.088 -4.746 -10.153 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.586 -5.827 -10.628 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.985 -6.403 -10.705 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -8.197 -7.589 -10.435 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -8.941 -5.582 -11.097 1.00 0.00 N ATOM 0 H ASN A 64 -7.590 -4.366 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.456 -6.142 -8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.503 -4.991 -11.323 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.869 -6.582 -10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.899 -5.921 -11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.722 -4.609 -11.310 1.00 0.00 H new ATOM 1011 N PRO A 65 -4.131 -5.192 -7.953 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.698 -5.066 -7.767 1.00 0.00 C ATOM 1013 C PRO A 65 -2.000 -6.422 -7.829 1.00 0.00 C ATOM 1014 O PRO A 65 -2.649 -7.459 -7.995 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.609 -4.476 -6.362 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.795 -5.029 -5.633 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.815 -5.435 -6.675 1.00 0.00 C ATOM 0 HA PRO A 65 -2.215 -4.464 -8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.677 -4.760 -5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.635 -3.387 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.506 -5.885 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.213 -4.283 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.101 -6.481 -6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.728 -4.845 -6.592 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.683 -6.410 -7.713 1.00 0.00 N ATOM 1026 CA ALA A 66 0.090 -7.639 -7.632 1.00 0.00 C ATOM 1027 C ALA A 66 0.910 -7.643 -6.349 1.00 0.00 C ATOM 1028 O ALA A 66 0.933 -8.625 -5.606 1.00 0.00 O ATOM 1029 CB ALA A 66 0.993 -7.788 -8.848 1.00 0.00 C ATOM 0 H ALA A 66 -0.124 -5.558 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.594 -8.488 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.562 -8.714 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.385 -7.814 -9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.680 -6.943 -8.897 1.00 0.00 H new ATOM 1035 N VAL A 67 1.565 -6.523 -6.089 1.00 0.00 N ATOM 1036 CA VAL A 67 2.329 -6.348 -4.869 1.00 0.00 C ATOM 1037 C VAL A 67 1.877 -5.075 -4.157 1.00 0.00 C ATOM 1038 O VAL A 67 1.691 -4.032 -4.787 1.00 0.00 O ATOM 1039 CB VAL A 67 3.853 -6.313 -5.155 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.194 -5.257 -6.194 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.647 -6.086 -3.875 1.00 0.00 C ATOM 0 H VAL A 67 1.581 -5.717 -6.714 1.00 0.00 H new ATOM 0 HA VAL A 67 2.143 -7.203 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 67 4.134 -7.286 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.269 -5.257 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.671 -5.480 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.886 -4.276 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.712 -6.066 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.355 -5.135 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.443 -6.894 -3.172 1.00 0.00 H new ATOM 1051 N ILE A 68 1.668 -5.174 -2.855 1.00 0.00 N ATOM 1052 CA ILE A 68 1.178 -4.054 -2.073 1.00 0.00 C ATOM 1053 C ILE A 68 2.124 -3.762 -0.919 1.00 0.00 C ATOM 1054 O ILE A 68 2.331 -4.601 -0.042 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.234 -4.323 -1.502 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.222 -4.643 -2.628 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.718 -3.121 -0.697 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.612 -4.986 -2.134 1.00 0.00 C ATOM 0 H ILE A 68 1.831 -6.024 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 68 1.125 -3.196 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.177 -5.187 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.285 -3.787 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.836 -5.479 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.713 -3.325 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.030 -2.935 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.757 -2.243 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.258 -5.201 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.562 -5.861 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.018 -4.143 -1.575 1.00 0.00 H new ATOM 1070 N LEU A 69 2.702 -2.577 -0.932 1.00 0.00 N ATOM 1071 CA LEU A 69 3.570 -2.147 0.147 1.00 0.00 C ATOM 1072 C LEU A 69 2.758 -1.393 1.185 1.00 0.00 C ATOM 1073 O LEU A 69 2.281 -0.290 0.930 1.00 0.00 O ATOM 1074 CB LEU A 69 4.701 -1.271 -0.392 1.00 0.00 C ATOM 1075 CG LEU A 69 5.768 -2.016 -1.194 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.638 -1.031 -1.953 1.00 0.00 C ATOM 1077 CD2 LEU A 69 6.622 -2.875 -0.275 1.00 0.00 C ATOM 0 H LEU A 69 2.586 -1.893 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 69 4.017 -3.024 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.270 -0.494 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.183 -0.769 0.447 1.00 0.00 H new ATOM 0 HG LEU A 69 5.270 -2.668 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.394 -1.575 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.019 -0.451 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.127 -0.359 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.376 -3.398 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.113 -2.241 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.990 -3.603 0.234 1.00 0.00 H new ATOM 1089 N LEU A 70 2.580 -2.009 2.339 1.00 0.00 N ATOM 1090 CA LEU A 70 1.794 -1.419 3.405 1.00 0.00 C ATOM 1091 C LEU A 70 2.708 -0.699 4.385 1.00 0.00 C ATOM 1092 O LEU A 70 3.445 -1.333 5.141 1.00 0.00 O ATOM 1093 CB LEU A 70 0.984 -2.497 4.131 1.00 0.00 C ATOM 1094 CG LEU A 70 0.065 -1.986 5.244 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.994 -1.050 4.678 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.586 -3.151 5.973 1.00 0.00 C ATOM 0 H LEU A 70 2.972 -2.924 2.562 1.00 0.00 H new ATOM 0 HA LEU A 70 1.100 -0.698 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.378 -3.029 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.676 -3.222 4.558 1.00 0.00 H new ATOM 0 HG LEU A 70 0.669 -1.426 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.637 -0.698 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.509 -0.198 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.595 -1.583 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.236 -2.770 6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.176 -3.737 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.186 -3.782 6.413 1.00 0.00 H new ATOM 1108 N GLY A 71 2.678 0.622 4.344 1.00 0.00 N ATOM 1109 CA GLY A 71 3.483 1.407 5.252 1.00 0.00 C ATOM 1110 C GLY A 71 2.712 1.783 6.497 1.00 0.00 C ATOM 1111 O GLY A 71 1.970 2.765 6.498 1.00 0.00 O ATOM 0 H GLY A 71 2.109 1.166 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.373 0.843 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.824 2.311 4.748 1.00 0.00 H new ATOM 1115 N THR A 72 2.879 1.003 7.554 1.00 0.00 N ATOM 1116 CA THR A 72 2.164 1.239 8.798 1.00 0.00 C ATOM 1117 C THR A 72 2.876 2.276 9.670 1.00 0.00 C ATOM 1118 O THR A 72 3.320 1.981 10.782 1.00 0.00 O ATOM 1119 CB THR A 72 1.974 -0.075 9.585 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.170 -0.866 9.524 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.806 -0.873 9.029 1.00 0.00 C ATOM 0 H THR A 72 3.506 0.199 7.575 1.00 0.00 H new ATOM 0 HA THR A 72 1.183 1.634 8.534 1.00 0.00 H new ATOM 0 HB THR A 72 1.761 0.179 10.623 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.916 -0.362 9.912 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.691 -1.795 9.599 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.107 -0.283 9.105 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.995 -1.114 7.983 1.00 0.00 H new ATOM 1129 N GLY A 73 2.972 3.494 9.152 1.00 0.00 N ATOM 1130 CA GLY A 73 3.628 4.568 9.869 1.00 0.00 C ATOM 1131 C GLY A 73 5.080 4.263 10.184 1.00 0.00 C ATOM 1132 O GLY A 73 5.835 3.822 9.315 1.00 0.00 O ATOM 0 H GLY A 73 2.603 3.758 8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.574 5.481 9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.092 4.759 10.798 1.00 0.00 H new ATOM 1136 N GLU A 74 5.461 4.492 11.432 1.00 0.00 N ATOM 1137 CA GLU A 74 6.823 4.243 11.888 1.00 0.00 C ATOM 1138 C GLU A 74 6.940 2.875 12.549 1.00 0.00 C ATOM 1139 O GLU A 74 7.965 2.551 13.153 1.00 0.00 O ATOM 1140 CB GLU A 74 7.255 5.331 12.869 1.00 0.00 C ATOM 1141 CG GLU A 74 7.805 6.572 12.194 1.00 0.00 C ATOM 1142 CD GLU A 74 9.144 6.316 11.536 1.00 0.00 C ATOM 1143 OE1 GLU A 74 10.149 6.184 12.267 1.00 0.00 O ATOM 1144 OE2 GLU A 74 9.204 6.249 10.294 1.00 0.00 O ATOM 0 H GLU A 74 4.839 4.854 12.155 1.00 0.00 H new ATOM 0 HA GLU A 74 7.479 4.260 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.402 5.611 13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.014 4.925 13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.095 6.922 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.910 7.369 12.931 1.00 0.00 H new ATOM 1151 N ARG A 75 5.898 2.072 12.424 1.00 0.00 N ATOM 1152 CA ARG A 75 5.884 0.749 13.024 1.00 0.00 C ATOM 1153 C ARG A 75 5.694 -0.316 11.960 1.00 0.00 C ATOM 1154 O ARG A 75 5.320 -0.016 10.828 1.00 0.00 O ATOM 1155 CB ARG A 75 4.758 0.627 14.051 1.00 0.00 C ATOM 1156 CG ARG A 75 4.925 1.510 15.276 1.00 0.00 C ATOM 1157 CD ARG A 75 3.799 1.271 16.268 1.00 0.00 C ATOM 1158 NE ARG A 75 3.956 2.054 17.492 1.00 0.00 N ATOM 1159 CZ ARG A 75 3.015 2.160 18.429 1.00 0.00 C ATOM 1160 NH1 ARG A 75 1.843 1.558 18.264 1.00 0.00 N ATOM 1161 NH2 ARG A 75 3.240 2.868 19.529 1.00 0.00 N ATOM 0 H ARG A 75 5.050 2.313 11.912 1.00 0.00 H new ATOM 0 HA ARG A 75 6.843 0.604 13.522 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.813 0.874 13.567 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.689 -0.412 14.374 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.884 1.304 15.751 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.936 2.558 14.976 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.847 1.522 15.800 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.761 0.211 16.521 1.00 0.00 H new ATOM 0 HE ARG A 75 4.837 2.548 17.637 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.663 1.014 17.420 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.123 1.639 18.981 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.137 3.335 19.660 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.515 2.945 20.243 1.00 0.00 H new ATOM 1175 N GLN A 76 5.980 -1.553 12.320 1.00 0.00 N ATOM 1176 CA GLN A 76 5.631 -2.685 11.483 1.00 0.00 C ATOM 1177 C GLN A 76 4.517 -3.469 12.137 1.00 0.00 C ATOM 1178 O GLN A 76 4.721 -4.142 13.147 1.00 0.00 O ATOM 1179 CB GLN A 76 6.835 -3.574 11.218 1.00 0.00 C ATOM 1180 CG GLN A 76 7.810 -2.948 10.249 1.00 0.00 C ATOM 1181 CD GLN A 76 8.967 -3.864 9.899 1.00 0.00 C ATOM 1182 OE1 GLN A 76 9.337 -4.736 10.826 1.00 0.00 O flip ATOM 1183 NE2 GLN A 76 9.524 -3.789 8.805 1.00 0.00 N flip ATOM 0 H GLN A 76 6.454 -1.800 13.189 1.00 0.00 H new ATOM 0 HA GLN A 76 5.290 -2.311 10.518 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.344 -3.781 12.159 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.496 -4.531 10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.281 -2.674 9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.201 -2.026 10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.209 -3.104 8.118 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.301 -4.412 8.584 1.00 0.00 H new ATOM 1192 N GLN A 77 3.340 -3.362 11.566 1.00 0.00 N ATOM 1193 CA GLN A 77 2.162 -3.969 12.157 1.00 0.00 C ATOM 1194 C GLN A 77 1.542 -4.980 11.203 1.00 0.00 C ATOM 1195 O GLN A 77 1.487 -4.756 9.994 1.00 0.00 O ATOM 1196 CB GLN A 77 1.141 -2.893 12.530 1.00 0.00 C ATOM 1197 CG GLN A 77 -0.026 -3.418 13.350 1.00 0.00 C ATOM 1198 CD GLN A 77 -1.071 -2.358 13.631 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -0.765 -1.171 13.729 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -2.318 -2.785 13.763 1.00 0.00 N ATOM 0 H GLN A 77 3.169 -2.862 10.694 1.00 0.00 H new ATOM 0 HA GLN A 77 2.464 -4.494 13.063 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.644 -2.106 13.092 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.757 -2.437 11.618 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.492 -4.249 12.820 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.348 -3.812 14.295 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.529 -3.779 13.674 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.067 -2.120 13.953 1.00 0.00 H new ATOM 1209 N PHE A 78 1.092 -6.095 11.756 1.00 0.00 N ATOM 1210 CA PHE A 78 0.442 -7.129 10.969 1.00 0.00 C ATOM 1211 C PHE A 78 -1.046 -6.827 10.840 1.00 0.00 C ATOM 1212 O PHE A 78 -1.700 -6.460 11.819 1.00 0.00 O ATOM 1213 CB PHE A 78 0.648 -8.501 11.617 1.00 0.00 C ATOM 1214 CG PHE A 78 2.094 -8.886 11.769 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.785 -9.460 10.715 1.00 0.00 C ATOM 1216 CD2 PHE A 78 2.760 -8.675 12.967 1.00 0.00 C ATOM 1217 CE1 PHE A 78 4.115 -9.812 10.850 1.00 0.00 C ATOM 1218 CE2 PHE A 78 4.089 -9.025 13.107 1.00 0.00 C ATOM 1219 CZ PHE A 78 4.768 -9.596 12.048 1.00 0.00 C ATOM 0 H PHE A 78 1.166 -6.307 12.751 1.00 0.00 H new ATOM 0 HA PHE A 78 0.888 -7.145 9.974 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.175 -8.504 12.599 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.141 -9.256 11.017 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.279 -9.635 9.777 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.234 -8.232 13.800 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.643 -10.256 10.019 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.597 -8.852 14.044 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.806 -9.873 12.156 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.593 -6.950 9.624 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.011 -6.707 9.372 1.00 0.00 C ATOM 1231 C PRO A 79 -3.895 -7.846 9.872 1.00 0.00 C ATOM 1232 O PRO A 79 -3.404 -8.841 10.410 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.085 -6.592 7.850 1.00 0.00 C ATOM 1234 CG PRO A 79 -1.949 -7.416 7.352 1.00 0.00 C ATOM 1235 CD PRO A 79 -0.867 -7.324 8.396 1.00 0.00 C ATOM 0 HA PRO A 79 -3.373 -5.822 9.896 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.038 -6.961 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.994 -5.555 7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.257 -8.451 7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.593 -7.046 6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.344 -8.273 8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.118 -6.578 8.131 1.00 0.00 H new ATOM 1243 N SER A 80 -5.199 -7.695 9.683 1.00 0.00 N ATOM 1244 CA SER A 80 -6.160 -8.689 10.129 1.00 0.00 C ATOM 1245 C SER A 80 -6.003 -9.981 9.326 1.00 0.00 C ATOM 1246 O SER A 80 -5.573 -9.954 8.168 1.00 0.00 O ATOM 1247 CB SER A 80 -7.579 -8.129 9.991 1.00 0.00 C ATOM 1248 OG SER A 80 -8.541 -9.006 10.545 1.00 0.00 O ATOM 0 H SER A 80 -5.616 -6.887 9.220 1.00 0.00 H new ATOM 0 HA SER A 80 -5.976 -8.922 11.178 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.639 -7.161 10.489 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.803 -7.960 8.938 1.00 0.00 H new ATOM 0 HG SER A 80 -9.410 -8.554 10.587 1.00 0.00 H new ATOM 1254 N THR A 81 -6.349 -11.105 9.943 1.00 0.00 N ATOM 1255 CA THR A 81 -6.204 -12.411 9.308 1.00 0.00 C ATOM 1256 C THR A 81 -7.077 -12.509 8.057 1.00 0.00 C ATOM 1257 O THR A 81 -6.699 -13.140 7.071 1.00 0.00 O ATOM 1258 CB THR A 81 -6.574 -13.542 10.289 1.00 0.00 C ATOM 1259 OG1 THR A 81 -5.889 -13.342 11.532 1.00 0.00 O ATOM 1260 CG2 THR A 81 -6.203 -14.906 9.724 1.00 0.00 C ATOM 0 H THR A 81 -6.734 -11.138 10.887 1.00 0.00 H new ATOM 0 HA THR A 81 -5.159 -12.523 9.018 1.00 0.00 H new ATOM 0 HB THR A 81 -7.652 -13.516 10.446 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.126 -14.060 12.155 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.476 -15.682 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.737 -15.070 8.788 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.129 -14.944 9.540 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.235 -11.865 8.099 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.137 -11.824 6.951 1.00 0.00 C ATOM 1270 C ASP A 82 -8.515 -11.047 5.791 1.00 0.00 C ATOM 1271 O ASP A 82 -8.740 -11.372 4.625 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.488 -11.217 7.346 1.00 0.00 C ATOM 1273 CG ASP A 82 -10.353 -10.023 8.272 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -9.779 -9.002 7.863 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -10.797 -10.122 9.438 1.00 0.00 O ATOM 0 H ASP A 82 -8.575 -11.361 8.918 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.304 -12.848 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.021 -10.913 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.095 -11.981 7.833 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.726 -10.030 6.114 1.00 0.00 N ATOM 1281 CA VAL A 83 -6.982 -9.290 5.102 1.00 0.00 C ATOM 1282 C VAL A 83 -5.866 -10.167 4.540 1.00 0.00 C ATOM 1283 O VAL A 83 -5.596 -10.163 3.337 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.379 -7.989 5.678 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -5.636 -7.208 4.601 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -7.462 -7.130 6.311 1.00 0.00 C ATOM 0 H VAL A 83 -7.585 -9.699 7.068 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.677 -9.017 4.308 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.662 -8.264 6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.221 -6.297 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.828 -7.820 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.326 -6.948 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.017 -6.219 6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.207 -6.870 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.940 -7.684 7.119 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.233 -10.931 5.425 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.194 -11.875 5.028 1.00 0.00 C ATOM 1298 C LEU A 84 -4.770 -12.962 4.126 1.00 0.00 C ATOM 1299 O LEU A 84 -4.085 -13.475 3.242 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.543 -12.505 6.263 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.778 -11.531 7.164 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.259 -12.249 8.401 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.628 -10.889 6.401 1.00 0.00 C ATOM 0 H LEU A 84 -5.423 -10.914 6.427 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.433 -11.329 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.319 -12.990 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.857 -13.286 5.934 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.463 -10.744 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.718 -11.543 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.098 -12.664 8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.589 -13.054 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.096 -10.200 7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.943 -11.663 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.020 -10.343 5.543 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.033 -13.307 4.354 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.726 -14.274 3.512 1.00 0.00 C ATOM 1317 C ALA A 85 -6.794 -13.779 2.075 1.00 0.00 C ATOM 1318 O ALA A 85 -6.429 -14.499 1.151 1.00 0.00 O ATOM 1319 CB ALA A 85 -8.122 -14.549 4.044 1.00 0.00 C ATOM 0 H ALA A 85 -6.597 -12.931 5.116 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.162 -15.207 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.621 -15.273 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.054 -14.949 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.695 -13.622 4.059 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.235 -12.536 1.899 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.318 -11.931 0.573 1.00 0.00 C ATOM 1327 C ALA A 86 -5.945 -11.906 -0.095 1.00 0.00 C ATOM 1328 O ALA A 86 -5.821 -12.115 -1.306 1.00 0.00 O ATOM 1329 CB ALA A 86 -7.887 -10.522 0.668 1.00 0.00 C ATOM 0 H ALA A 86 -7.541 -11.928 2.659 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.986 -12.536 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.943 -10.084 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.886 -10.561 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.241 -9.910 1.297 1.00 0.00 H new ATOM 1335 N CYS A 87 -4.921 -11.659 0.712 1.00 0.00 N ATOM 1336 CA CYS A 87 -3.541 -11.675 0.248 1.00 0.00 C ATOM 1337 C CYS A 87 -3.165 -13.059 -0.280 1.00 0.00 C ATOM 1338 O CYS A 87 -2.483 -13.188 -1.297 1.00 0.00 O ATOM 1339 CB CYS A 87 -2.610 -11.269 1.396 1.00 0.00 C ATOM 1340 SG CYS A 87 -0.845 -11.365 1.017 1.00 0.00 S ATOM 0 H CYS A 87 -5.024 -11.443 1.703 1.00 0.00 H new ATOM 0 HA CYS A 87 -3.434 -10.962 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.848 -10.247 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.817 -11.907 2.255 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.666 -11.197 -0.260 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.634 -14.092 0.405 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.334 -15.466 0.029 1.00 0.00 C ATOM 1348 C LEU A 88 -4.149 -15.874 -1.199 1.00 0.00 C ATOM 1349 O LEU A 88 -3.603 -16.404 -2.166 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.626 -16.399 1.214 1.00 0.00 C ATOM 1351 CG LEU A 88 -3.018 -17.808 1.141 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -3.015 -18.442 2.522 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -3.781 -18.697 0.168 1.00 0.00 C ATOM 0 H LEU A 88 -4.228 -14.003 1.230 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.278 -15.545 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.266 -15.918 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.707 -16.498 1.312 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.995 -17.712 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.583 -19.441 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.423 -17.830 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.038 -18.511 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.323 -19.686 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.818 -18.786 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.749 -18.257 -0.829 1.00 0.00 H new ATOM 1365 N THR A 89 -5.448 -15.599 -1.156 1.00 0.00 N ATOM 1366 CA THR A 89 -6.379 -16.019 -2.201 1.00 0.00 C ATOM 1367 C THR A 89 -5.937 -15.561 -3.596 1.00 0.00 C ATOM 1368 O THR A 89 -5.989 -16.333 -4.554 1.00 0.00 O ATOM 1369 CB THR A 89 -7.795 -15.485 -1.907 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.172 -15.824 -0.568 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.817 -16.062 -2.873 1.00 0.00 C ATOM 0 H THR A 89 -5.887 -15.079 -0.396 1.00 0.00 H new ATOM 0 HA THR A 89 -6.387 -17.109 -2.196 1.00 0.00 H new ATOM 0 HB THR A 89 -7.776 -14.402 -2.030 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.684 -15.255 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.805 -15.665 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.549 -15.787 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.831 -17.148 -2.782 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.491 -14.317 -3.713 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.087 -13.785 -5.012 1.00 0.00 C ATOM 1381 C ARG A 90 -3.578 -13.874 -5.221 1.00 0.00 C ATOM 1382 O ARG A 90 -3.077 -13.515 -6.286 1.00 0.00 O ATOM 1383 CB ARG A 90 -5.546 -12.336 -5.179 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.042 -12.187 -5.404 1.00 0.00 C ATOM 1385 CD ARG A 90 -7.406 -10.764 -5.802 1.00 0.00 C ATOM 1386 NE ARG A 90 -6.649 -10.314 -6.975 1.00 0.00 N ATOM 1387 CZ ARG A 90 -7.163 -9.581 -7.966 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -8.449 -9.248 -7.962 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -6.391 -9.196 -8.978 1.00 0.00 N ATOM 0 H ARG A 90 -5.400 -13.663 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.572 -14.402 -5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.264 -11.771 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.016 -11.892 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.365 -12.878 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.577 -12.460 -4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.473 -10.708 -6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.213 -10.092 -4.966 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.666 -10.578 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.052 -9.552 -7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.833 -8.688 -8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.406 -9.461 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.784 -8.636 -9.735 1.00 0.00 H new ATOM 1403 N GLY A 91 -2.863 -14.360 -4.215 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.415 -14.444 -4.310 1.00 0.00 C ATOM 1405 C GLY A 91 -0.766 -13.077 -4.356 1.00 0.00 C ATOM 1406 O GLY A 91 0.165 -12.843 -5.125 1.00 0.00 O ATOM 0 H GLY A 91 -3.256 -14.697 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.028 -15.000 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.143 -15.004 -5.205 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.261 -12.176 -3.522 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.790 -10.803 -3.498 1.00 0.00 C ATOM 1412 C ILE A 92 0.454 -10.679 -2.629 1.00 0.00 C ATOM 1413 O ILE A 92 0.550 -11.307 -1.573 1.00 0.00 O ATOM 1414 CB ILE A 92 -1.887 -9.852 -2.961 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.151 -9.942 -3.824 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.384 -8.414 -2.904 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -2.933 -9.551 -5.273 1.00 0.00 C ATOM 0 H ILE A 92 -1.998 -12.376 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.545 -10.519 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.136 -10.166 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.533 -10.962 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.919 -9.298 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.174 -7.767 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.519 -8.357 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.099 -8.088 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.872 -9.640 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.581 -8.521 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.189 -10.211 -5.720 1.00 0.00 H new ATOM 1429 N GLY A 93 1.412 -9.884 -3.078 1.00 0.00 N ATOM 1430 CA GLY A 93 2.586 -9.623 -2.279 1.00 0.00 C ATOM 1431 C GLY A 93 2.357 -8.490 -1.300 1.00 0.00 C ATOM 1432 O GLY A 93 2.668 -7.340 -1.593 1.00 0.00 O ATOM 0 H GLY A 93 1.396 -9.415 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.863 -10.525 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.423 -9.376 -2.932 1.00 0.00 H new ATOM 1436 N LEU A 94 1.793 -8.810 -0.145 1.00 0.00 N ATOM 1437 CA LEU A 94 1.521 -7.807 0.874 1.00 0.00 C ATOM 1438 C LEU A 94 2.723 -7.649 1.793 1.00 0.00 C ATOM 1439 O LEU A 94 3.006 -8.513 2.627 1.00 0.00 O ATOM 1440 CB LEU A 94 0.277 -8.185 1.687 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.135 -7.179 2.765 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.484 -5.833 2.146 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.311 -7.718 3.569 1.00 0.00 C ATOM 0 H LEU A 94 1.514 -9.757 0.110 1.00 0.00 H new ATOM 0 HA LEU A 94 1.331 -6.855 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.559 -8.318 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.454 -9.149 2.163 1.00 0.00 H new ATOM 0 HG LEU A 94 0.710 -7.033 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.774 -5.135 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.383 -5.441 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.312 -5.957 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.593 -6.992 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.157 -7.893 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.026 -8.655 4.047 1.00 0.00 H new ATOM 1455 N GLU A 95 3.436 -6.552 1.622 1.00 0.00 N ATOM 1456 CA GLU A 95 4.642 -6.289 2.383 1.00 0.00 C ATOM 1457 C GLU A 95 4.403 -5.173 3.394 1.00 0.00 C ATOM 1458 O GLU A 95 4.300 -4.004 3.022 1.00 0.00 O ATOM 1459 CB GLU A 95 5.770 -5.907 1.427 1.00 0.00 C ATOM 1460 CG GLU A 95 6.981 -6.817 1.507 1.00 0.00 C ATOM 1461 CD GLU A 95 6.621 -8.286 1.391 1.00 0.00 C ATOM 1462 OE1 GLU A 95 6.304 -8.745 0.273 1.00 0.00 O ATOM 1463 OE2 GLU A 95 6.668 -8.995 2.420 1.00 0.00 O ATOM 0 H GLU A 95 3.196 -5.820 0.953 1.00 0.00 H new ATOM 0 HA GLU A 95 4.923 -7.189 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.387 -5.918 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.082 -4.884 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.680 -6.555 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.496 -6.647 2.453 1.00 0.00 H new ATOM 1470 N ALA A 96 4.298 -5.539 4.663 1.00 0.00 N ATOM 1471 CA ALA A 96 4.057 -4.564 5.718 1.00 0.00 C ATOM 1472 C ALA A 96 5.369 -4.086 6.328 1.00 0.00 C ATOM 1473 O ALA A 96 6.106 -4.868 6.930 1.00 0.00 O ATOM 1474 CB ALA A 96 3.153 -5.154 6.792 1.00 0.00 C ATOM 0 H ALA A 96 4.376 -6.503 4.988 1.00 0.00 H new ATOM 0 HA ALA A 96 3.556 -3.703 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.983 -4.412 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.199 -5.439 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.629 -6.034 7.225 1.00 0.00 H new ATOM 1480 N MET A 97 5.656 -2.803 6.154 1.00 0.00 N ATOM 1481 CA MET A 97 6.876 -2.195 6.675 1.00 0.00 C ATOM 1482 C MET A 97 6.602 -0.753 7.082 1.00 0.00 C ATOM 1483 O MET A 97 5.450 -0.323 7.128 1.00 0.00 O ATOM 1484 CB MET A 97 7.999 -2.223 5.626 1.00 0.00 C ATOM 1485 CG MET A 97 8.554 -3.609 5.335 1.00 0.00 C ATOM 1486 SD MET A 97 9.884 -3.583 4.113 1.00 0.00 S ATOM 1487 CE MET A 97 9.029 -2.905 2.692 1.00 0.00 C ATOM 0 H MET A 97 5.052 -2.154 5.649 1.00 0.00 H new ATOM 0 HA MET A 97 7.197 -2.770 7.543 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.623 -1.794 4.698 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.813 -1.583 5.966 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.925 -4.049 6.261 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.749 -4.251 4.977 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.609 -3.103 1.790 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.047 -3.370 2.602 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.910 -1.829 2.818 1.00 0.00 H new ATOM 1497 N THR A 98 7.658 -0.012 7.378 1.00 0.00 N ATOM 1498 CA THR A 98 7.535 1.405 7.662 1.00 0.00 C ATOM 1499 C THR A 98 7.310 2.177 6.367 1.00 0.00 C ATOM 1500 O THR A 98 7.824 1.793 5.313 1.00 0.00 O ATOM 1501 CB THR A 98 8.791 1.930 8.376 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.965 1.386 7.755 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.772 1.554 9.850 1.00 0.00 C ATOM 0 H THR A 98 8.611 -0.371 7.427 1.00 0.00 H new ATOM 0 HA THR A 98 6.679 1.551 8.321 1.00 0.00 H new ATOM 0 HB THR A 98 8.804 3.017 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.763 1.724 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.671 1.936 10.335 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.892 1.987 10.325 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.740 0.469 9.948 1.00 0.00 H new ATOM 1511 N ASN A 99 6.550 3.262 6.440 1.00 0.00 N ATOM 1512 CA ASN A 99 6.188 4.012 5.239 1.00 0.00 C ATOM 1513 C ASN A 99 7.415 4.623 4.560 1.00 0.00 C ATOM 1514 O ASN A 99 7.439 4.782 3.341 1.00 0.00 O ATOM 1515 CB ASN A 99 5.128 5.087 5.543 1.00 0.00 C ATOM 1516 CG ASN A 99 5.473 6.002 6.705 1.00 0.00 C ATOM 1517 OD1 ASN A 99 6.636 6.268 6.992 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.446 6.497 7.382 1.00 0.00 N ATOM 0 H ASN A 99 6.174 3.642 7.309 1.00 0.00 H new ATOM 0 HA ASN A 99 5.748 3.301 4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.979 5.695 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 99 4.179 4.594 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.609 7.122 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.493 6.253 7.113 1.00 0.00 H new ATOM 1525 N ALA A 100 8.440 4.933 5.343 1.00 0.00 N ATOM 1526 CA ALA A 100 9.677 5.478 4.796 1.00 0.00 C ATOM 1527 C ALA A 100 10.394 4.445 3.926 1.00 0.00 C ATOM 1528 O ALA A 100 10.911 4.772 2.854 1.00 0.00 O ATOM 1529 CB ALA A 100 10.585 5.953 5.917 1.00 0.00 C ATOM 0 H ALA A 100 8.440 4.817 6.356 1.00 0.00 H new ATOM 0 HA ALA A 100 9.424 6.331 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.505 6.357 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.078 6.728 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.825 5.115 6.571 1.00 0.00 H new ATOM 1535 N ALA A 101 10.408 3.197 4.384 1.00 0.00 N ATOM 1536 CA ALA A 101 11.050 2.117 3.644 1.00 0.00 C ATOM 1537 C ALA A 101 10.178 1.672 2.476 1.00 0.00 C ATOM 1538 O ALA A 101 10.682 1.287 1.418 1.00 0.00 O ATOM 1539 CB ALA A 101 11.345 0.941 4.564 1.00 0.00 C ATOM 0 H ALA A 101 9.982 2.909 5.265 1.00 0.00 H new ATOM 0 HA ALA A 101 11.993 2.490 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.824 0.145 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.009 1.264 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.413 0.571 4.992 1.00 0.00 H new ATOM 1545 N ALA A 102 8.866 1.734 2.673 1.00 0.00 N ATOM 1546 CA ALA A 102 7.915 1.374 1.629 1.00 0.00 C ATOM 1547 C ALA A 102 8.049 2.306 0.430 1.00 0.00 C ATOM 1548 O ALA A 102 7.989 1.866 -0.717 1.00 0.00 O ATOM 1549 CB ALA A 102 6.493 1.405 2.174 1.00 0.00 C ATOM 0 H ALA A 102 8.436 2.031 3.549 1.00 0.00 H new ATOM 0 HA ALA A 102 8.138 0.360 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.794 1.134 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.403 0.695 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.263 2.408 2.533 1.00 0.00 H new ATOM 1555 N ALA A 103 8.254 3.590 0.710 1.00 0.00 N ATOM 1556 CA ALA A 103 8.409 4.597 -0.336 1.00 0.00 C ATOM 1557 C ALA A 103 9.592 4.277 -1.245 1.00 0.00 C ATOM 1558 O ALA A 103 9.499 4.390 -2.468 1.00 0.00 O ATOM 1559 CB ALA A 103 8.585 5.974 0.289 1.00 0.00 C ATOM 0 H ALA A 103 8.317 3.960 1.659 1.00 0.00 H new ATOM 0 HA ALA A 103 7.506 4.591 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.700 6.719 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.709 6.215 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.472 5.975 0.922 1.00 0.00 H new ATOM 1565 N ARG A 104 10.697 3.866 -0.640 1.00 0.00 N ATOM 1566 CA ARG A 104 11.905 3.541 -1.389 1.00 0.00 C ATOM 1567 C ARG A 104 11.698 2.279 -2.220 1.00 0.00 C ATOM 1568 O ARG A 104 12.003 2.249 -3.414 1.00 0.00 O ATOM 1569 CB ARG A 104 13.081 3.353 -0.432 1.00 0.00 C ATOM 1570 CG ARG A 104 14.386 3.021 -1.132 1.00 0.00 C ATOM 1571 CD ARG A 104 15.509 2.800 -0.135 1.00 0.00 C ATOM 1572 NE ARG A 104 16.766 2.458 -0.793 1.00 0.00 N ATOM 1573 CZ ARG A 104 17.963 2.621 -0.237 1.00 0.00 C ATOM 1574 NH1 ARG A 104 18.069 3.114 0.992 1.00 0.00 N ATOM 1575 NH2 ARG A 104 19.056 2.280 -0.911 1.00 0.00 N ATOM 0 H ARG A 104 10.783 3.749 0.370 1.00 0.00 H new ATOM 0 HA ARG A 104 12.126 4.367 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.213 4.264 0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.842 2.555 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.257 2.126 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.654 3.832 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.646 3.702 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.231 2.001 0.553 1.00 0.00 H new ATOM 0 HE ARG A 104 16.724 2.071 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 104 17.230 3.369 1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 104 18.989 3.237 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 104 18.975 1.895 -1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 104 19.976 2.404 -0.488 1.00 0.00 H new ATOM 1589 N THR A 105 11.159 1.248 -1.583 1.00 0.00 N ATOM 1590 CA THR A 105 10.925 -0.030 -2.240 1.00 0.00 C ATOM 1591 C THR A 105 9.922 0.120 -3.388 1.00 0.00 C ATOM 1592 O THR A 105 9.988 -0.600 -4.387 1.00 0.00 O ATOM 1593 CB THR A 105 10.413 -1.072 -1.225 1.00 0.00 C ATOM 1594 OG1 THR A 105 11.267 -1.080 -0.070 1.00 0.00 O ATOM 1595 CG2 THR A 105 10.380 -2.466 -1.836 1.00 0.00 C ATOM 0 H THR A 105 10.874 1.273 -0.604 1.00 0.00 H new ATOM 0 HA THR A 105 11.873 -0.374 -2.653 1.00 0.00 H new ATOM 0 HB THR A 105 9.398 -0.797 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.031 -0.331 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.015 -3.179 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.717 -2.469 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.385 -2.750 -2.149 1.00 0.00 H new ATOM 1603 N TYR A 106 9.010 1.078 -3.242 1.00 0.00 N ATOM 1604 CA TYR A 106 8.015 1.364 -4.270 1.00 0.00 C ATOM 1605 C TYR A 106 8.686 1.731 -5.588 1.00 0.00 C ATOM 1606 O TYR A 106 8.277 1.264 -6.652 1.00 0.00 O ATOM 1607 CB TYR A 106 7.094 2.500 -3.813 1.00 0.00 C ATOM 1608 CG TYR A 106 6.144 2.989 -4.883 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.023 2.249 -5.242 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.373 4.191 -5.541 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.160 2.694 -6.223 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.514 4.641 -6.523 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.410 3.890 -6.860 1.00 0.00 C ATOM 1614 OH TYR A 106 3.558 4.337 -7.840 1.00 0.00 O ATOM 0 H TYR A 106 8.940 1.672 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 106 7.419 0.465 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.515 2.161 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.706 3.336 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.824 1.311 -4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.238 4.783 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.293 2.108 -6.490 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.707 5.578 -7.025 1.00 0.00 H new ATOM 0 HH TYR A 106 3.879 5.196 -8.185 1.00 0.00 H new ATOM 1624 N ASN A 107 9.726 2.552 -5.511 1.00 0.00 N ATOM 1625 CA ASN A 107 10.432 3.004 -6.705 1.00 0.00 C ATOM 1626 C ASN A 107 11.075 1.825 -7.427 1.00 0.00 C ATOM 1627 O ASN A 107 11.061 1.752 -8.656 1.00 0.00 O ATOM 1628 CB ASN A 107 11.494 4.044 -6.340 1.00 0.00 C ATOM 1629 CG ASN A 107 12.204 4.599 -7.561 1.00 0.00 C ATOM 1630 OD1 ASN A 107 13.224 4.067 -7.996 1.00 0.00 O ATOM 1631 ND2 ASN A 107 11.673 5.676 -8.119 1.00 0.00 N ATOM 0 H ASN A 107 10.100 2.919 -4.636 1.00 0.00 H new ATOM 0 HA ASN A 107 9.707 3.467 -7.374 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.025 4.862 -5.793 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.227 3.592 -5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.111 6.094 -8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.826 6.088 -7.728 1.00 0.00 H new ATOM 1638 N VAL A 108 11.608 0.890 -6.649 1.00 0.00 N ATOM 1639 CA VAL A 108 12.245 -0.303 -7.197 1.00 0.00 C ATOM 1640 C VAL A 108 11.235 -1.145 -7.971 1.00 0.00 C ATOM 1641 O VAL A 108 11.504 -1.585 -9.088 1.00 0.00 O ATOM 1642 CB VAL A 108 12.875 -1.161 -6.078 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.574 -2.385 -6.653 1.00 0.00 C ATOM 1644 CG2 VAL A 108 13.842 -0.330 -5.251 1.00 0.00 C ATOM 0 H VAL A 108 11.612 0.935 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 108 13.033 0.028 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 108 12.073 -1.509 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.008 -2.970 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.852 -2.995 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.363 -2.067 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.277 -0.950 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.635 0.052 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.308 0.506 -4.798 1.00 0.00 H new ATOM 1654 N LEU A 109 10.065 -1.342 -7.381 1.00 0.00 N ATOM 1655 CA LEU A 109 9.021 -2.147 -8.005 1.00 0.00 C ATOM 1656 C LEU A 109 8.425 -1.425 -9.212 1.00 0.00 C ATOM 1657 O LEU A 109 7.997 -2.054 -10.184 1.00 0.00 O ATOM 1658 CB LEU A 109 7.927 -2.470 -6.985 1.00 0.00 C ATOM 1659 CG LEU A 109 8.403 -3.244 -5.751 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.256 -3.460 -4.777 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.011 -4.578 -6.158 1.00 0.00 C ATOM 0 H LEU A 109 9.813 -0.956 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 109 9.467 -3.079 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.470 -1.537 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.148 -3.049 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 109 9.170 -2.652 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.615 -4.011 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.863 -2.495 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.466 -4.029 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.343 -5.113 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.264 -5.174 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.863 -4.404 -6.816 1.00 0.00 H new ATOM 1673 N ALA A 110 8.418 -0.099 -9.151 1.00 0.00 N ATOM 1674 CA ALA A 110 7.898 0.714 -10.241 1.00 0.00 C ATOM 1675 C ALA A 110 8.870 0.750 -11.417 1.00 0.00 C ATOM 1676 O ALA A 110 8.484 1.091 -12.537 1.00 0.00 O ATOM 1677 CB ALA A 110 7.602 2.125 -9.756 1.00 0.00 C ATOM 0 H ALA A 110 8.768 0.436 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 110 6.970 0.258 -10.586 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.214 2.720 -10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.861 2.087 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.518 2.580 -9.380 1.00 0.00 H new ATOM 1683 N SER A 111 10.125 0.392 -11.159 1.00 0.00 N ATOM 1684 CA SER A 111 11.147 0.383 -12.201 1.00 0.00 C ATOM 1685 C SER A 111 10.815 -0.650 -13.277 1.00 0.00 C ATOM 1686 O SER A 111 10.839 -0.345 -14.470 1.00 0.00 O ATOM 1687 CB SER A 111 12.522 0.093 -11.596 1.00 0.00 C ATOM 1688 OG SER A 111 12.857 1.050 -10.602 1.00 0.00 O ATOM 0 H SER A 111 10.458 0.105 -10.239 1.00 0.00 H new ATOM 0 HA SER A 111 11.169 1.369 -12.666 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.527 -0.906 -11.160 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.277 0.101 -12.382 1.00 0.00 H new ATOM 0 HG SER A 111 12.149 1.081 -9.925 1.00 0.00 H new ATOM 1694 N GLU A 112 10.489 -1.868 -12.849 1.00 0.00 N ATOM 1695 CA GLU A 112 10.108 -2.923 -13.782 1.00 0.00 C ATOM 1696 C GLU A 112 8.708 -2.657 -14.328 1.00 0.00 C ATOM 1697 O GLU A 112 8.361 -3.088 -15.427 1.00 0.00 O ATOM 1698 CB GLU A 112 10.182 -4.300 -13.108 1.00 0.00 C ATOM 1699 CG GLU A 112 9.812 -5.452 -14.031 1.00 0.00 C ATOM 1700 CD GLU A 112 10.117 -6.812 -13.437 1.00 0.00 C ATOM 1701 OE1 GLU A 112 9.583 -7.131 -12.357 1.00 0.00 O ATOM 1702 OE2 GLU A 112 10.877 -7.580 -14.066 1.00 0.00 O ATOM 0 H GLU A 112 10.481 -2.147 -11.868 1.00 0.00 H new ATOM 0 HA GLU A 112 10.811 -2.923 -14.615 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.193 -4.457 -12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.516 -4.309 -12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.749 -5.395 -14.265 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.352 -5.344 -14.972 1.00 0.00 H new ATOM 1709 N GLY A 113 7.912 -1.934 -13.554 1.00 0.00 N ATOM 1710 CA GLY A 113 6.600 -1.533 -14.015 1.00 0.00 C ATOM 1711 C GLY A 113 5.540 -2.574 -13.745 1.00 0.00 C ATOM 1712 O GLY A 113 4.701 -2.852 -14.600 1.00 0.00 O ATOM 0 H GLY A 113 8.152 -1.618 -12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.318 -0.600 -13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.642 -1.333 -15.086 1.00 0.00 H new ATOM 1716 N ARG A 114 5.578 -3.157 -12.558 1.00 0.00 N ATOM 1717 CA ARG A 114 4.565 -4.121 -12.159 1.00 0.00 C ATOM 1718 C ARG A 114 3.433 -3.408 -11.436 1.00 0.00 C ATOM 1719 O ARG A 114 3.569 -2.243 -11.056 1.00 0.00 O ATOM 1720 CB ARG A 114 5.163 -5.201 -11.255 1.00 0.00 C ATOM 1721 CG ARG A 114 6.260 -6.018 -11.918 1.00 0.00 C ATOM 1722 CD ARG A 114 6.671 -7.197 -11.051 1.00 0.00 C ATOM 1723 NE ARG A 114 5.574 -8.146 -10.862 1.00 0.00 N ATOM 1724 CZ ARG A 114 5.709 -9.347 -10.298 1.00 0.00 C ATOM 1725 NH1 ARG A 114 6.895 -9.750 -9.854 1.00 0.00 N ATOM 1726 NH2 ARG A 114 4.654 -10.149 -10.185 1.00 0.00 N ATOM 0 H ARG A 114 6.297 -2.981 -11.856 1.00 0.00 H new ATOM 0 HA ARG A 114 4.176 -4.603 -13.056 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.566 -4.729 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 114 4.368 -5.873 -10.932 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.913 -6.379 -12.886 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.126 -5.383 -12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.517 -7.708 -11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.007 -6.833 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 114 4.645 -7.871 -11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.707 -9.140 -9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.993 -10.669 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.743 -9.845 -10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.756 -11.068 -9.754 1.00 0.00 H new ATOM 1740 N ARG A 115 2.316 -4.098 -11.248 1.00 0.00 N ATOM 1741 CA ARG A 115 1.182 -3.517 -10.545 1.00 0.00 C ATOM 1742 C ARG A 115 1.454 -3.449 -9.047 1.00 0.00 C ATOM 1743 O ARG A 115 1.102 -4.358 -8.289 1.00 0.00 O ATOM 1744 CB ARG A 115 -0.100 -4.303 -10.824 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.615 -4.135 -12.244 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.914 -4.892 -12.457 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.516 -4.596 -13.755 1.00 0.00 N ATOM 1748 CZ ARG A 115 -3.408 -5.381 -14.361 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -3.798 -6.519 -13.795 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -3.914 -5.017 -15.531 1.00 0.00 N ATOM 0 H ARG A 115 2.172 -5.055 -11.571 1.00 0.00 H new ATOM 0 HA ARG A 115 1.042 -2.502 -10.916 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.083 -5.361 -10.635 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.873 -3.983 -10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.771 -3.077 -12.453 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.136 -4.492 -12.949 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.726 -5.963 -12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.617 -4.635 -11.665 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.237 -3.736 -14.227 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.415 -6.797 -12.891 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.481 -7.114 -14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.621 -4.141 -15.963 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.596 -5.613 -15.999 1.00 0.00 H new ATOM 1764 N VAL A 116 2.113 -2.380 -8.634 1.00 0.00 N ATOM 1765 CA VAL A 116 2.431 -2.167 -7.236 1.00 0.00 C ATOM 1766 C VAL A 116 1.510 -1.112 -6.633 1.00 0.00 C ATOM 1767 O VAL A 116 1.254 -0.071 -7.238 1.00 0.00 O ATOM 1768 CB VAL A 116 3.912 -1.754 -7.047 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.256 -0.520 -7.871 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.227 -1.519 -5.577 1.00 0.00 C ATOM 0 H VAL A 116 2.440 -1.640 -9.255 1.00 0.00 H new ATOM 0 HA VAL A 116 2.277 -3.112 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 116 4.530 -2.578 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.302 -0.258 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.088 -0.730 -8.927 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.624 0.312 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.273 -1.230 -5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.590 -0.723 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.045 -2.435 -5.015 1.00 0.00 H new ATOM 1780 N ALA A 117 0.989 -1.404 -5.457 1.00 0.00 N ATOM 1781 CA ALA A 117 0.138 -0.470 -4.748 1.00 0.00 C ATOM 1782 C ALA A 117 0.826 0.001 -3.474 1.00 0.00 C ATOM 1783 O ALA A 117 1.084 -0.793 -2.569 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.204 -1.107 -4.429 1.00 0.00 C ATOM 0 H ALA A 117 1.142 -2.287 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.041 0.395 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.829 -0.391 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.697 -1.401 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.050 -1.988 -3.805 1.00 0.00 H new ATOM 1790 N LEU A 118 1.137 1.283 -3.416 1.00 0.00 N ATOM 1791 CA LEU A 118 1.767 1.859 -2.240 1.00 0.00 C ATOM 1792 C LEU A 118 0.692 2.295 -1.252 1.00 0.00 C ATOM 1793 O LEU A 118 0.177 3.411 -1.332 1.00 0.00 O ATOM 1794 CB LEU A 118 2.647 3.052 -2.631 1.00 0.00 C ATOM 1795 CG LEU A 118 3.535 3.611 -1.517 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.533 2.556 -1.063 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.258 4.871 -1.985 1.00 0.00 C ATOM 0 H LEU A 118 0.964 1.947 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 118 2.403 1.107 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.284 2.753 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.002 3.853 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 118 2.903 3.879 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.159 2.965 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.996 1.685 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.159 2.262 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.884 5.252 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.882 4.634 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.525 5.628 -2.265 1.00 0.00 H new ATOM 1809 N ALA A 119 0.336 1.393 -0.351 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.698 1.662 0.635 1.00 0.00 C ATOM 1811 C ALA A 119 -0.102 2.363 1.843 1.00 0.00 C ATOM 1812 O ALA A 119 0.567 1.742 2.674 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.392 0.373 1.049 1.00 0.00 C ATOM 0 H ALA A 119 0.751 0.464 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.443 2.319 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.162 0.595 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -1.850 -0.091 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.662 -0.311 1.482 1.00 0.00 H new ATOM 1819 N MET A 120 -0.335 3.659 1.931 1.00 0.00 N ATOM 1820 CA MET A 120 0.260 4.463 2.979 1.00 0.00 C ATOM 1821 C MET A 120 -0.728 4.773 4.088 1.00 0.00 C ATOM 1822 O MET A 120 -1.720 5.484 3.882 1.00 0.00 O ATOM 1823 CB MET A 120 0.820 5.762 2.411 1.00 0.00 C ATOM 1824 CG MET A 120 2.114 5.585 1.637 1.00 0.00 C ATOM 1825 SD MET A 120 3.446 4.945 2.671 1.00 0.00 S ATOM 1826 CE MET A 120 4.833 5.055 1.546 1.00 0.00 C ATOM 0 H MET A 120 -0.933 4.177 1.288 1.00 0.00 H new ATOM 0 HA MET A 120 1.073 3.876 3.406 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.074 6.212 1.756 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.990 6.462 3.229 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.946 4.905 0.802 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.415 6.543 1.212 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.298 4.074 1.445 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.484 5.394 0.570 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.563 5.764 1.937 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.453 4.210 5.257 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.143 4.581 6.477 1.00 0.00 C ATOM 1838 C ILE A 121 -0.194 5.428 7.315 1.00 0.00 C ATOM 1839 O ILE A 121 0.649 4.906 8.049 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.604 3.348 7.290 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.486 2.440 6.427 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.357 3.790 8.539 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.926 1.172 7.129 1.00 0.00 C ATOM 0 H ILE A 121 0.254 3.485 5.382 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.042 5.139 6.214 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.723 2.784 7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.369 2.997 6.115 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.941 2.173 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.676 2.912 9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.703 4.402 9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.232 4.372 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.547 0.580 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.049 0.593 7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.500 1.429 8.019 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.302 6.732 7.158 1.00 0.00 N ATOM 1856 CA VAL A 122 0.647 7.653 7.752 1.00 0.00 C ATOM 1857 C VAL A 122 0.058 8.298 9.000 1.00 0.00 C ATOM 1858 O VAL A 122 -1.143 8.546 9.063 1.00 0.00 O ATOM 1859 CB VAL A 122 1.047 8.749 6.740 1.00 0.00 C ATOM 1860 CG1 VAL A 122 2.181 9.604 7.273 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.431 8.130 5.404 1.00 0.00 C ATOM 0 H VAL A 122 -1.043 7.181 6.620 1.00 0.00 H new ATOM 0 HA VAL A 122 1.536 7.087 8.031 1.00 0.00 H new ATOM 0 HB VAL A 122 0.182 9.395 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.439 10.366 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.869 10.085 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.051 8.976 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.710 8.918 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.275 7.455 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.584 7.573 5.004 1.00 0.00 H new ATOM 1871 N GLY A 123 0.908 8.544 9.991 1.00 0.00 N ATOM 1872 CA GLY A 123 0.479 9.240 11.188 1.00 0.00 C ATOM 1873 C GLY A 123 -0.398 8.392 12.084 1.00 0.00 C ATOM 1874 O GLY A 123 0.090 7.752 13.016 1.00 0.00 O ATOM 0 H GLY A 123 1.891 8.272 9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.357 9.563 11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -0.066 10.140 10.903 1.00 0.00 H new