USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=21 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 THR OG1 : rot 144:sc= 0.0436 USER MOD Set 2.1: A 57 MET CE :methyl -174:sc= -1.65 (180deg=-1.82!) USER MOD Set 2.2: A 87 CYS SG : rot 78:sc= -0.172 USER MOD Set 3.1: A 21 HIS : no HE2:sc= 0.534 K(o=0.23,f=-4.8!) USER MOD Set 3.2: A 30 GLN :FLIP amide:sc= -0.304 F(o=-0.55!,f=0.23) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0671 F(o=-1.2!,f=-0.067) USER MOD Single : A 31 GLN : amide:sc= 1.24 K(o=1.2,f=-0.071) USER MOD Single : A 32 SER OG : rot 171:sc= 1.16 USER MOD Single : A 36 MET CE :methyl -161:sc= -0.0897 (180deg=-0.546) USER MOD Single : A 43 HIS : no HE2:sc= 0.119 K(o=0.12,f=-1.4) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0546 USER MOD Single : A 51 GLN :FLIP amide:sc=-0.00778 F(o=-0.84,f=-0.0078) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00961 F(o=-1.1,f=-0.0096) USER MOD Single : A 56 HIS : no HE2:sc= 0.76 K(o=0.76,f=-2.4!) USER MOD Single : A 64 ASN : amide:sc= 0.13 X(o=0.13,f=0) USER MOD Single : A 72 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 76 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.46) USER MOD Single : A 80 SER OG : rot -136:sc= 1.33 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00116 USER MOD Single : A 89 THR OG1 : rot -91:sc= 1.25 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.292 USER MOD Single : A 99 ASN : amide:sc= -1.81! C(o=-1.8!,f=-3.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 111 SER OG : rot 24:sc= 0.967 USER MOD Single : A 120 MET CE :methyl 140:sc= -2.58! (180deg=-3.56!) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 8.591 11.595 -3.290 1.00 0.00 N ATOM 229 CA ARG A 15 9.777 12.366 -2.941 1.00 0.00 C ATOM 230 C ARG A 15 10.546 11.705 -1.810 1.00 0.00 C ATOM 231 O ARG A 15 11.673 11.245 -1.994 1.00 0.00 O ATOM 232 CB ARG A 15 9.372 13.782 -2.539 1.00 0.00 C ATOM 233 CG ARG A 15 8.905 14.629 -3.707 1.00 0.00 C ATOM 234 CD ARG A 15 10.081 15.167 -4.501 1.00 0.00 C ATOM 235 NE ARG A 15 10.874 16.106 -3.710 1.00 0.00 N ATOM 236 CZ ARG A 15 12.155 16.386 -3.940 1.00 0.00 C ATOM 237 NH1 ARG A 15 12.804 15.787 -4.930 1.00 0.00 N ATOM 238 NH2 ARG A 15 12.786 17.271 -3.179 1.00 0.00 N ATOM 0 HA ARG A 15 10.428 12.408 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.575 13.727 -1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.220 14.272 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.265 14.033 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.301 15.459 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.712 14.339 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.718 15.663 -5.401 1.00 0.00 H new ATOM 0 HE ARG A 15 10.416 16.578 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.322 15.108 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.785 16.005 -5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.290 17.736 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.767 17.486 -3.354 1.00 0.00 H new ATOM 252 N ALA A 16 9.927 11.653 -0.643 1.00 0.00 N ATOM 253 CA ALA A 16 10.556 11.071 0.527 1.00 0.00 C ATOM 254 C ALA A 16 9.505 10.633 1.531 1.00 0.00 C ATOM 255 O ALA A 16 8.345 11.048 1.453 1.00 0.00 O ATOM 256 CB ALA A 16 11.517 12.061 1.165 1.00 0.00 C ATOM 0 H ALA A 16 8.985 12.009 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 16 11.122 10.195 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.979 11.606 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.290 12.332 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.971 12.956 1.466 1.00 0.00 H new ATOM 262 N ALA A 17 9.920 9.801 2.469 1.00 0.00 N ATOM 263 CA ALA A 17 9.026 9.287 3.485 1.00 0.00 C ATOM 264 C ALA A 17 9.521 9.674 4.869 1.00 0.00 C ATOM 265 O ALA A 17 10.715 9.575 5.160 1.00 0.00 O ATOM 266 CB ALA A 17 8.913 7.780 3.359 1.00 0.00 C ATOM 0 H ALA A 17 10.880 9.466 2.546 1.00 0.00 H new ATOM 0 HA ALA A 17 8.038 9.724 3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.239 7.400 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.522 7.526 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.897 7.329 3.486 1.00 0.00 H new ATOM 272 N ASP A 18 8.610 10.126 5.710 1.00 0.00 N ATOM 273 CA ASP A 18 8.959 10.557 7.060 1.00 0.00 C ATOM 274 C ASP A 18 8.360 9.627 8.105 1.00 0.00 C ATOM 275 O ASP A 18 8.979 9.340 9.131 1.00 0.00 O ATOM 276 CB ASP A 18 8.474 11.992 7.290 1.00 0.00 C ATOM 277 CG ASP A 18 8.504 12.402 8.749 1.00 0.00 C ATOM 278 OD1 ASP A 18 9.591 12.721 9.264 1.00 0.00 O ATOM 279 OD2 ASP A 18 7.429 12.409 9.388 1.00 0.00 O ATOM 0 H ASP A 18 7.618 10.206 5.486 1.00 0.00 H new ATOM 0 HA ASP A 18 10.044 10.523 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.096 12.676 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.457 12.091 6.912 1.00 0.00 H new ATOM 284 N GLY A 19 7.162 9.142 7.831 1.00 0.00 N ATOM 285 CA GLY A 19 6.451 8.330 8.795 1.00 0.00 C ATOM 286 C GLY A 19 5.123 8.951 9.157 1.00 0.00 C ATOM 287 O GLY A 19 4.070 8.347 8.958 1.00 0.00 O ATOM 0 H GLY A 19 6.666 9.297 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.290 7.333 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.057 8.212 9.693 1.00 0.00 H new ATOM 291 N ARG A 20 5.173 10.169 9.676 1.00 0.00 N ATOM 292 CA ARG A 20 3.963 10.916 9.980 1.00 0.00 C ATOM 293 C ARG A 20 3.781 12.021 8.945 1.00 0.00 C ATOM 294 O ARG A 20 2.896 12.868 9.055 1.00 0.00 O ATOM 295 CB ARG A 20 4.024 11.482 11.405 1.00 0.00 C ATOM 296 CG ARG A 20 5.050 12.585 11.598 1.00 0.00 C ATOM 297 CD ARG A 20 5.526 12.650 13.039 1.00 0.00 C ATOM 298 NE ARG A 20 6.424 11.539 13.353 1.00 0.00 N ATOM 299 CZ ARG A 20 6.575 11.009 14.564 1.00 0.00 C ATOM 300 NH1 ARG A 20 5.864 11.458 15.588 1.00 0.00 N ATOM 301 NH2 ARG A 20 7.438 10.015 14.747 1.00 0.00 N ATOM 0 H ARG A 20 6.039 10.661 9.895 1.00 0.00 H new ATOM 0 HA ARG A 20 3.100 10.251 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.040 11.867 11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.247 10.670 12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.901 12.412 10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.615 13.543 11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.040 13.596 13.212 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.667 12.627 13.709 1.00 0.00 H new ATOM 0 HE ARG A 20 6.973 11.143 12.590 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.195 12.215 15.451 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.986 11.046 16.513 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.982 9.661 13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.556 9.606 15.674 1.00 0.00 H new ATOM 315 N HIS A 21 4.645 11.994 7.933 1.00 0.00 N ATOM 316 CA HIS A 21 4.551 12.899 6.793 1.00 0.00 C ATOM 317 C HIS A 21 4.822 12.123 5.509 1.00 0.00 C ATOM 318 O HIS A 21 5.691 11.248 5.481 1.00 0.00 O ATOM 319 CB HIS A 21 5.563 14.047 6.895 1.00 0.00 C ATOM 320 CG HIS A 21 5.408 14.922 8.102 1.00 0.00 C ATOM 321 ND1 HIS A 21 6.131 14.737 9.260 1.00 0.00 N ATOM 322 CD2 HIS A 21 4.636 16.013 8.314 1.00 0.00 C ATOM 323 CE1 HIS A 21 5.811 15.673 10.132 1.00 0.00 C ATOM 324 NE2 HIS A 21 4.909 16.459 9.583 1.00 0.00 N ATOM 0 H HIS A 21 5.429 11.344 7.881 1.00 0.00 H new ATOM 0 HA HIS A 21 3.547 13.323 6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.568 13.626 6.897 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.478 14.667 6.002 1.00 0.00 H new ATOM 0 HD1 HIS A 21 6.809 13.991 9.418 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.937 16.450 7.616 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.219 15.777 11.126 1.00 0.00 H new ATOM 333 N ALA A 22 4.079 12.436 4.462 1.00 0.00 N ATOM 334 CA ALA A 22 4.293 11.824 3.158 1.00 0.00 C ATOM 335 C ALA A 22 4.261 12.892 2.076 1.00 0.00 C ATOM 336 O ALA A 22 3.268 13.606 1.931 1.00 0.00 O ATOM 337 CB ALA A 22 3.246 10.755 2.886 1.00 0.00 C ATOM 0 H ALA A 22 3.317 13.114 4.488 1.00 0.00 H new ATOM 0 HA ALA A 22 5.272 11.344 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.425 10.311 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.308 9.982 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.253 11.205 2.904 1.00 0.00 H new ATOM 343 N LYS A 23 5.349 13.015 1.331 1.00 0.00 N ATOM 344 CA LYS A 23 5.459 14.060 0.325 1.00 0.00 C ATOM 345 C LYS A 23 5.380 13.485 -1.084 1.00 0.00 C ATOM 346 O LYS A 23 6.314 12.829 -1.558 1.00 0.00 O ATOM 347 CB LYS A 23 6.762 14.844 0.505 1.00 0.00 C ATOM 348 CG LYS A 23 6.862 15.559 1.844 1.00 0.00 C ATOM 349 CD LYS A 23 8.103 16.435 1.928 1.00 0.00 C ATOM 350 CE LYS A 23 8.161 17.186 3.249 1.00 0.00 C ATOM 351 NZ LYS A 23 9.289 18.154 3.300 1.00 0.00 N ATOM 0 H LYS A 23 6.165 12.407 1.403 1.00 0.00 H new ATOM 0 HA LYS A 23 4.617 14.739 0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.605 14.160 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.849 15.578 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.974 16.172 1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.882 14.823 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.995 15.818 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.105 17.147 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.222 17.718 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.261 16.472 4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.287 18.641 4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.188 17.646 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.181 18.853 2.537 1.00 0.00 H new ATOM 365 N VAL A 24 4.254 13.719 -1.741 1.00 0.00 N ATOM 366 CA VAL A 24 4.082 13.335 -3.132 1.00 0.00 C ATOM 367 C VAL A 24 4.224 14.573 -4.007 1.00 0.00 C ATOM 368 O VAL A 24 3.473 15.536 -3.844 1.00 0.00 O ATOM 369 CB VAL A 24 2.706 12.679 -3.382 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.586 12.206 -4.823 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.478 11.523 -2.418 1.00 0.00 C ATOM 0 H VAL A 24 3.441 14.176 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 24 4.847 12.600 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 24 1.936 13.430 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.609 11.748 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.697 13.057 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.367 11.474 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.503 11.075 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.256 10.773 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.511 11.892 -1.393 1.00 0.00 H new ATOM 381 N ASN A 25 5.196 14.543 -4.921 1.00 0.00 N ATOM 382 CA ASN A 25 5.563 15.714 -5.727 1.00 0.00 C ATOM 383 C ASN A 25 6.114 16.816 -4.830 1.00 0.00 C ATOM 384 O ASN A 25 7.325 16.967 -4.696 1.00 0.00 O ATOM 385 CB ASN A 25 4.378 16.240 -6.547 1.00 0.00 C ATOM 386 CG ASN A 25 3.870 15.232 -7.556 1.00 0.00 C ATOM 387 OD1 ASN A 25 4.621 14.388 -8.048 1.00 0.00 O ATOM 388 ND2 ASN A 25 2.589 15.312 -7.869 1.00 0.00 N ATOM 0 H ASN A 25 5.750 13.711 -5.124 1.00 0.00 H new ATOM 0 HA ASN A 25 6.334 15.401 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.567 16.512 -5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.677 17.149 -7.068 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.187 14.659 -8.542 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.002 16.026 -7.438 1.00 0.00 H new ATOM 395 N GLU A 26 5.228 17.587 -4.222 1.00 0.00 N ATOM 396 CA GLU A 26 5.625 18.540 -3.196 1.00 0.00 C ATOM 397 C GLU A 26 4.514 18.701 -2.161 1.00 0.00 C ATOM 398 O GLU A 26 4.600 19.541 -1.265 1.00 0.00 O ATOM 399 CB GLU A 26 5.973 19.899 -3.810 1.00 0.00 C ATOM 400 CG GLU A 26 4.791 20.604 -4.452 1.00 0.00 C ATOM 401 CD GLU A 26 5.125 22.015 -4.879 1.00 0.00 C ATOM 402 OE1 GLU A 26 5.307 22.880 -3.997 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.188 22.276 -6.099 1.00 0.00 O ATOM 0 H GLU A 26 4.228 17.572 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 26 6.516 18.150 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.389 20.542 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.752 19.759 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.459 20.034 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.959 20.627 -3.748 1.00 0.00 H new ATOM 410 N GLN A 27 3.492 17.862 -2.266 1.00 0.00 N ATOM 411 CA GLN A 27 2.313 17.983 -1.428 1.00 0.00 C ATOM 412 C GLN A 27 2.381 16.979 -0.283 1.00 0.00 C ATOM 413 O GLN A 27 2.530 15.776 -0.508 1.00 0.00 O ATOM 414 CB GLN A 27 1.052 17.746 -2.267 1.00 0.00 C ATOM 415 CG GLN A 27 -0.244 18.052 -1.532 1.00 0.00 C ATOM 416 CD GLN A 27 -0.438 19.533 -1.263 1.00 0.00 C ATOM 417 OE1 GLN A 27 0.045 20.375 -2.164 1.00 0.00 O flip ATOM 418 NE2 GLN A 27 -1.037 19.916 -0.256 1.00 0.00 N flip ATOM 0 H GLN A 27 3.459 17.087 -2.928 1.00 0.00 H new ATOM 0 HA GLN A 27 2.275 18.989 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.103 18.362 -3.164 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.036 16.707 -2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.084 17.682 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.254 17.512 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.394 19.236 0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.176 20.913 -0.093 1.00 0.00 H new ATOM 427 N ILE A 28 2.291 17.478 0.939 1.00 0.00 N ATOM 428 CA ILE A 28 2.322 16.621 2.114 1.00 0.00 C ATOM 429 C ILE A 28 0.927 16.082 2.413 1.00 0.00 C ATOM 430 O ILE A 28 0.058 16.808 2.900 1.00 0.00 O ATOM 431 CB ILE A 28 2.858 17.371 3.351 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.216 18.006 3.036 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.973 16.422 4.539 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.772 18.850 4.164 1.00 0.00 C ATOM 0 H ILE A 28 2.196 18.473 1.144 1.00 0.00 H new ATOM 0 HA ILE A 28 2.997 15.793 1.896 1.00 0.00 H new ATOM 0 HB ILE A 28 2.156 18.163 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.930 17.217 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.119 18.626 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.353 16.966 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.991 16.010 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.658 15.611 4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.735 19.266 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.079 19.662 4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.903 18.231 5.051 1.00 0.00 H new ATOM 446 N LEU A 29 0.717 14.814 2.106 1.00 0.00 N ATOM 447 CA LEU A 29 -0.573 14.184 2.325 1.00 0.00 C ATOM 448 C LEU A 29 -0.569 13.401 3.630 1.00 0.00 C ATOM 449 O LEU A 29 -0.066 12.281 3.694 1.00 0.00 O ATOM 450 CB LEU A 29 -0.925 13.257 1.155 1.00 0.00 C ATOM 451 CG LEU A 29 -1.034 13.941 -0.211 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.307 12.915 -1.301 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.128 15.000 -0.194 1.00 0.00 C ATOM 0 H LEU A 29 1.425 14.199 1.704 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.329 14.967 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.168 12.475 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.873 12.766 1.374 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.084 14.430 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.381 13.419 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.492 12.191 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.243 12.399 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.190 15.475 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.083 14.532 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.895 15.752 0.560 1.00 0.00 H new ATOM 465 N GLN A 30 -1.115 14.004 4.676 1.00 0.00 N ATOM 466 CA GLN A 30 -1.201 13.349 5.972 1.00 0.00 C ATOM 467 C GLN A 30 -2.563 12.693 6.148 1.00 0.00 C ATOM 468 O GLN A 30 -3.310 13.009 7.076 1.00 0.00 O ATOM 469 CB GLN A 30 -0.938 14.344 7.104 1.00 0.00 C ATOM 470 CG GLN A 30 0.484 14.883 7.126 1.00 0.00 C ATOM 471 CD GLN A 30 0.759 15.763 8.329 1.00 0.00 C ATOM 472 OE1 GLN A 30 0.081 15.493 9.432 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 1.577 16.679 8.266 1.00 0.00 N flip ATOM 0 H GLN A 30 -1.505 14.946 4.652 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.434 12.575 6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.632 15.179 7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.148 13.860 8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.184 14.048 7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.666 15.453 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.080 16.855 7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.753 17.263 9.084 1.00 0.00 H new ATOM 482 N GLN A 31 -2.881 11.786 5.238 1.00 0.00 N ATOM 483 CA GLN A 31 -4.140 11.057 5.279 1.00 0.00 C ATOM 484 C GLN A 31 -3.876 9.571 5.107 1.00 0.00 C ATOM 485 O GLN A 31 -2.734 9.118 5.172 1.00 0.00 O ATOM 486 CB GLN A 31 -5.083 11.507 4.156 1.00 0.00 C ATOM 487 CG GLN A 31 -5.429 12.985 4.153 1.00 0.00 C ATOM 488 CD GLN A 31 -6.499 13.301 3.128 1.00 0.00 C ATOM 489 OE1 GLN A 31 -7.691 13.298 3.436 1.00 0.00 O ATOM 490 NE2 GLN A 31 -6.085 13.548 1.896 1.00 0.00 N ATOM 0 H GLN A 31 -2.278 11.535 4.454 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.608 11.260 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.627 11.255 3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.008 10.934 4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.773 13.281 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.534 13.569 3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.088 13.541 1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.763 13.746 1.160 1.00 0.00 H new ATOM 499 N SER A 32 -4.939 8.824 4.888 1.00 0.00 N ATOM 500 CA SER A 32 -4.826 7.443 4.482 1.00 0.00 C ATOM 501 C SER A 32 -5.225 7.354 3.017 1.00 0.00 C ATOM 502 O SER A 32 -6.378 7.620 2.660 1.00 0.00 O ATOM 503 CB SER A 32 -5.718 6.555 5.346 1.00 0.00 C ATOM 504 OG SER A 32 -5.428 5.186 5.140 1.00 0.00 O ATOM 0 H SER A 32 -5.898 9.157 4.986 1.00 0.00 H new ATOM 0 HA SER A 32 -3.802 7.093 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.576 6.805 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.765 6.747 5.111 1.00 0.00 H new ATOM 0 HG SER A 32 -5.904 4.647 5.806 1.00 0.00 H new ATOM 510 N PHE A 33 -4.269 7.024 2.165 1.00 0.00 N ATOM 511 CA PHE A 33 -4.491 7.075 0.730 1.00 0.00 C ATOM 512 C PHE A 33 -3.746 5.960 0.014 1.00 0.00 C ATOM 513 O PHE A 33 -2.833 5.344 0.570 1.00 0.00 O ATOM 514 CB PHE A 33 -4.054 8.440 0.180 1.00 0.00 C ATOM 515 CG PHE A 33 -2.592 8.749 0.372 1.00 0.00 C ATOM 516 CD1 PHE A 33 -2.143 9.344 1.541 1.00 0.00 C ATOM 517 CD2 PHE A 33 -1.669 8.445 -0.616 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.804 9.633 1.717 1.00 0.00 C ATOM 519 CE2 PHE A 33 -0.329 8.732 -0.445 1.00 0.00 C ATOM 520 CZ PHE A 33 0.105 9.323 0.724 1.00 0.00 C ATOM 0 H PHE A 33 -3.335 6.719 2.441 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.557 6.936 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.285 8.480 -0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.644 9.219 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.848 9.584 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.002 7.978 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.468 10.101 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.379 8.494 -1.225 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.153 9.543 0.862 1.00 0.00 H new ATOM 530 N ILE A 34 -4.139 5.711 -1.226 1.00 0.00 N ATOM 531 CA ILE A 34 -3.495 4.703 -2.050 1.00 0.00 C ATOM 532 C ILE A 34 -2.811 5.372 -3.233 1.00 0.00 C ATOM 533 O ILE A 34 -3.466 6.003 -4.065 1.00 0.00 O ATOM 534 CB ILE A 34 -4.506 3.657 -2.568 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.284 3.049 -1.400 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.788 2.570 -3.360 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.403 2.126 -1.832 1.00 0.00 C ATOM 0 H ILE A 34 -4.908 6.199 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.761 4.186 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.213 4.153 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.594 2.496 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.701 3.853 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.515 1.841 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.275 3.018 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.061 2.073 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.910 1.732 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.115 2.679 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.990 1.301 -2.412 1.00 0.00 H new ATOM 549 N LEU A 35 -1.497 5.236 -3.303 1.00 0.00 N ATOM 550 CA LEU A 35 -0.726 5.875 -4.356 1.00 0.00 C ATOM 551 C LEU A 35 -0.266 4.844 -5.381 1.00 0.00 C ATOM 552 O LEU A 35 0.484 3.924 -5.069 1.00 0.00 O ATOM 553 CB LEU A 35 0.492 6.597 -3.761 1.00 0.00 C ATOM 554 CG LEU A 35 1.396 7.303 -4.775 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.638 8.403 -5.502 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.628 7.868 -4.084 1.00 0.00 C ATOM 0 H LEU A 35 -0.943 4.689 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.364 6.605 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.140 7.334 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.090 5.871 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 35 1.719 6.570 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.301 8.890 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.212 7.971 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.281 9.137 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.260 8.367 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.321 8.585 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.186 7.057 -3.615 1.00 0.00 H new ATOM 568 N MET A 36 -0.746 5.008 -6.603 1.00 0.00 N ATOM 569 CA MET A 36 -0.338 4.155 -7.707 1.00 0.00 C ATOM 570 C MET A 36 0.694 4.909 -8.541 1.00 0.00 C ATOM 571 O MET A 36 0.812 6.126 -8.412 1.00 0.00 O ATOM 572 CB MET A 36 -1.553 3.788 -8.575 1.00 0.00 C ATOM 573 CG MET A 36 -2.737 3.240 -7.789 1.00 0.00 C ATOM 574 SD MET A 36 -2.376 1.679 -6.964 1.00 0.00 S ATOM 575 CE MET A 36 -2.066 0.612 -8.366 1.00 0.00 C ATOM 0 H MET A 36 -1.422 5.728 -6.856 1.00 0.00 H new ATOM 0 HA MET A 36 0.095 3.232 -7.322 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.874 4.673 -9.124 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.247 3.047 -9.314 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.043 3.975 -7.045 1.00 0.00 H new ATOM 0 HG3 MET A 36 -3.581 3.100 -8.465 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.162 -0.429 -8.059 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.789 0.826 -9.153 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.058 0.788 -8.741 1.00 0.00 H new ATOM 585 N PRO A 37 1.453 4.214 -9.406 1.00 0.00 N ATOM 586 CA PRO A 37 2.453 4.851 -10.283 1.00 0.00 C ATOM 587 C PRO A 37 1.815 5.655 -11.427 1.00 0.00 C ATOM 588 O PRO A 37 2.357 5.714 -12.534 1.00 0.00 O ATOM 589 CB PRO A 37 3.245 3.663 -10.855 1.00 0.00 C ATOM 590 CG PRO A 37 2.834 2.476 -10.046 1.00 0.00 C ATOM 591 CD PRO A 37 1.439 2.758 -9.578 1.00 0.00 C ATOM 0 HA PRO A 37 3.062 5.569 -9.734 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.019 3.514 -11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.319 3.836 -10.780 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.868 1.565 -10.644 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.507 2.328 -9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.694 2.442 -10.308 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.211 2.241 -8.646 1.00 0.00 H new ATOM 599 N ASP A 38 0.685 6.293 -11.125 1.00 0.00 N ATOM 600 CA ASP A 38 -0.094 7.054 -12.106 1.00 0.00 C ATOM 601 C ASP A 38 -1.385 7.552 -11.467 1.00 0.00 C ATOM 602 O ASP A 38 -1.737 8.726 -11.568 1.00 0.00 O ATOM 603 CB ASP A 38 -0.447 6.186 -13.322 1.00 0.00 C ATOM 604 CG ASP A 38 -1.389 6.882 -14.291 1.00 0.00 C ATOM 605 OD1 ASP A 38 -2.622 6.765 -14.117 1.00 0.00 O ATOM 606 OD2 ASP A 38 -0.906 7.529 -15.243 1.00 0.00 O ATOM 0 H ASP A 38 0.281 6.298 -10.189 1.00 0.00 H new ATOM 0 HA ASP A 38 0.513 7.897 -12.436 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.469 5.914 -13.846 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.906 5.259 -12.979 1.00 0.00 H new ATOM 611 N GLU A 39 -2.074 6.642 -10.801 1.00 0.00 N ATOM 612 CA GLU A 39 -3.389 6.915 -10.245 1.00 0.00 C ATOM 613 C GLU A 39 -3.291 7.175 -8.743 1.00 0.00 C ATOM 614 O GLU A 39 -2.346 6.731 -8.094 1.00 0.00 O ATOM 615 CB GLU A 39 -4.299 5.722 -10.542 1.00 0.00 C ATOM 616 CG GLU A 39 -5.766 5.949 -10.235 1.00 0.00 C ATOM 617 CD GLU A 39 -6.634 4.833 -10.775 1.00 0.00 C ATOM 618 OE1 GLU A 39 -6.794 3.808 -10.083 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.155 4.976 -11.902 1.00 0.00 O ATOM 0 H GLU A 39 -1.739 5.694 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.809 7.811 -10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.199 5.460 -11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.950 4.865 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.904 6.027 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.085 6.898 -10.666 1.00 0.00 H new ATOM 626 N LEU A 40 -4.257 7.893 -8.192 1.00 0.00 N ATOM 627 CA LEU A 40 -4.233 8.232 -6.778 1.00 0.00 C ATOM 628 C LEU A 40 -5.615 8.073 -6.152 1.00 0.00 C ATOM 629 O LEU A 40 -6.604 8.585 -6.672 1.00 0.00 O ATOM 630 CB LEU A 40 -3.742 9.671 -6.588 1.00 0.00 C ATOM 631 CG LEU A 40 -3.724 10.172 -5.141 1.00 0.00 C ATOM 632 CD1 LEU A 40 -2.743 9.367 -4.300 1.00 0.00 C ATOM 633 CD2 LEU A 40 -3.376 11.652 -5.093 1.00 0.00 C ATOM 0 H LEU A 40 -5.065 8.251 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.548 7.547 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.734 9.750 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.376 10.334 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.722 10.036 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.748 9.742 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.037 8.317 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.741 9.465 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.368 11.990 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.391 11.809 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.119 12.219 -5.654 1.00 0.00 H new ATOM 645 N VAL A 41 -5.672 7.347 -5.045 1.00 0.00 N ATOM 646 CA VAL A 41 -6.884 7.253 -4.247 1.00 0.00 C ATOM 647 C VAL A 41 -6.767 8.217 -3.074 1.00 0.00 C ATOM 648 O VAL A 41 -5.982 7.991 -2.156 1.00 0.00 O ATOM 649 CB VAL A 41 -7.119 5.818 -3.724 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.415 5.731 -2.933 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.126 4.824 -4.878 1.00 0.00 C ATOM 0 H VAL A 41 -4.886 6.811 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.736 7.512 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.298 5.563 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.556 4.711 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.368 6.410 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.252 6.010 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.293 3.819 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.923 5.081 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.167 4.860 -5.395 1.00 0.00 H new ATOM 661 N GLU A 42 -7.542 9.292 -3.118 1.00 0.00 N ATOM 662 CA GLU A 42 -7.376 10.398 -2.183 1.00 0.00 C ATOM 663 C GLU A 42 -8.073 10.110 -0.854 1.00 0.00 C ATOM 664 O GLU A 42 -7.733 10.689 0.179 1.00 0.00 O ATOM 665 CB GLU A 42 -7.925 11.680 -2.823 1.00 0.00 C ATOM 666 CG GLU A 42 -7.333 12.971 -2.269 1.00 0.00 C ATOM 667 CD GLU A 42 -8.255 13.685 -1.303 1.00 0.00 C ATOM 668 OE1 GLU A 42 -9.352 14.114 -1.726 1.00 0.00 O ATOM 669 OE2 GLU A 42 -7.882 13.845 -0.121 1.00 0.00 O ATOM 0 H GLU A 42 -8.295 9.422 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.315 10.526 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.740 11.642 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.006 11.704 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.394 12.745 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.097 13.639 -3.097 1.00 0.00 H new ATOM 676 N HIS A 43 -9.049 9.210 -0.874 1.00 0.00 N ATOM 677 CA HIS A 43 -9.776 8.862 0.341 1.00 0.00 C ATOM 678 C HIS A 43 -9.827 7.353 0.554 1.00 0.00 C ATOM 679 O HIS A 43 -10.557 6.642 -0.139 1.00 0.00 O ATOM 680 CB HIS A 43 -11.206 9.416 0.312 1.00 0.00 C ATOM 681 CG HIS A 43 -11.303 10.909 0.422 1.00 0.00 C ATOM 682 ND1 HIS A 43 -10.310 11.701 0.962 1.00 0.00 N ATOM 683 CD2 HIS A 43 -12.301 11.754 0.071 1.00 0.00 C ATOM 684 CE1 HIS A 43 -10.697 12.962 0.941 1.00 0.00 C ATOM 685 NE2 HIS A 43 -11.900 13.024 0.404 1.00 0.00 N ATOM 0 H HIS A 43 -9.353 8.712 -1.710 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.233 9.315 1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.684 9.102 -0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.771 8.968 1.129 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.417 11.364 1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.240 11.479 -0.387 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.124 13.803 1.303 1.00 0.00 H new ATOM 694 N TRP A 44 -9.044 6.872 1.508 1.00 0.00 N ATOM 695 CA TRP A 44 -9.112 5.482 1.930 1.00 0.00 C ATOM 696 C TRP A 44 -9.513 5.431 3.407 1.00 0.00 C ATOM 697 O TRP A 44 -8.812 5.966 4.266 1.00 0.00 O ATOM 698 CB TRP A 44 -7.765 4.784 1.694 1.00 0.00 C ATOM 699 CG TRP A 44 -7.826 3.289 1.811 1.00 0.00 C ATOM 700 CD1 TRP A 44 -8.787 2.462 1.299 1.00 0.00 C ATOM 701 CD2 TRP A 44 -6.872 2.441 2.460 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.497 1.154 1.607 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.325 1.115 2.316 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.680 2.674 3.152 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.625 0.031 2.839 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -4.989 1.596 3.670 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.462 0.289 3.511 1.00 0.00 C ATOM 0 H TRP A 44 -8.350 7.428 2.007 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.861 4.953 1.341 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.400 5.046 0.701 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.039 5.165 2.412 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.648 2.789 0.735 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.062 0.345 1.350 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.306 3.679 3.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.988 -0.979 2.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.067 1.765 4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.898 -0.532 3.927 1.00 0.00 H new ATOM 718 N PRO A 45 -10.670 4.818 3.712 1.00 0.00 N ATOM 719 CA PRO A 45 -11.265 4.826 5.060 1.00 0.00 C ATOM 720 C PRO A 45 -10.539 3.931 6.074 1.00 0.00 C ATOM 721 O PRO A 45 -11.178 3.183 6.815 1.00 0.00 O ATOM 722 CB PRO A 45 -12.692 4.298 4.830 1.00 0.00 C ATOM 723 CG PRO A 45 -12.880 4.259 3.350 1.00 0.00 C ATOM 724 CD PRO A 45 -11.513 4.081 2.766 1.00 0.00 C ATOM 0 HA PRO A 45 -11.211 5.825 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.817 3.307 5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.430 4.948 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.538 3.439 3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.341 5.179 2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.231 3.030 2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.445 4.489 1.758 1.00 0.00 H new ATOM 732 N VAL A 46 -9.218 4.023 6.129 1.00 0.00 N ATOM 733 CA VAL A 46 -8.445 3.290 7.127 1.00 0.00 C ATOM 734 C VAL A 46 -7.455 4.227 7.826 1.00 0.00 C ATOM 735 O VAL A 46 -6.274 4.267 7.488 1.00 0.00 O ATOM 736 CB VAL A 46 -7.687 2.088 6.509 1.00 0.00 C ATOM 737 CG1 VAL A 46 -6.964 1.290 7.584 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.638 1.187 5.737 1.00 0.00 C ATOM 0 H VAL A 46 -8.658 4.596 5.497 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.152 2.896 7.857 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.945 2.484 5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.440 0.452 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.245 1.933 8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.688 0.913 8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.083 0.351 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.407 0.808 6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.107 1.756 4.934 1.00 0.00 H new ATOM 748 N PRO A 47 -7.936 5.019 8.800 1.00 0.00 N ATOM 749 CA PRO A 47 -7.111 6.001 9.513 1.00 0.00 C ATOM 750 C PRO A 47 -6.194 5.354 10.549 1.00 0.00 C ATOM 751 O PRO A 47 -5.278 5.990 11.072 1.00 0.00 O ATOM 752 CB PRO A 47 -8.140 6.913 10.206 1.00 0.00 C ATOM 753 CG PRO A 47 -9.484 6.466 9.722 1.00 0.00 C ATOM 754 CD PRO A 47 -9.320 5.042 9.279 1.00 0.00 C ATOM 0 HA PRO A 47 -6.444 6.531 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.068 6.828 11.290 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.964 7.959 9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.228 6.543 10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.829 7.092 8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.478 4.341 10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.027 4.777 8.492 1.00 0.00 H new ATOM 762 N SER A 48 -6.456 4.093 10.849 1.00 0.00 N ATOM 763 CA SER A 48 -5.654 3.337 11.798 1.00 0.00 C ATOM 764 C SER A 48 -5.710 1.855 11.447 1.00 0.00 C ATOM 765 O SER A 48 -6.635 1.416 10.762 1.00 0.00 O ATOM 766 CB SER A 48 -6.158 3.573 13.227 1.00 0.00 C ATOM 767 OG SER A 48 -6.130 4.954 13.556 1.00 0.00 O ATOM 0 H SER A 48 -7.229 3.565 10.443 1.00 0.00 H new ATOM 0 HA SER A 48 -4.619 3.674 11.743 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.175 3.193 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.540 3.015 13.931 1.00 0.00 H new ATOM 0 HG SER A 48 -6.457 5.079 14.471 1.00 0.00 H new ATOM 773 N LEU A 49 -4.730 1.091 11.917 1.00 0.00 N ATOM 774 CA LEU A 49 -4.635 -0.331 11.594 1.00 0.00 C ATOM 775 C LEU A 49 -5.862 -1.093 12.093 1.00 0.00 C ATOM 776 O LEU A 49 -6.286 -2.072 11.482 1.00 0.00 O ATOM 777 CB LEU A 49 -3.361 -0.928 12.200 1.00 0.00 C ATOM 778 CG LEU A 49 -3.079 -2.386 11.823 1.00 0.00 C ATOM 779 CD1 LEU A 49 -2.879 -2.524 10.320 1.00 0.00 C ATOM 780 CD2 LEU A 49 -1.863 -2.901 12.575 1.00 0.00 C ATOM 0 H LEU A 49 -3.986 1.433 12.526 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.593 -0.428 10.509 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.511 -0.319 11.891 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.427 -0.857 13.286 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.942 -2.989 12.107 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.680 -3.567 10.074 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.779 -2.194 9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.034 -1.910 10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.675 -3.938 12.297 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.994 -2.294 12.321 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.046 -2.841 13.648 1.00 0.00 H new ATOM 792 N GLY A 50 -6.444 -0.622 13.191 1.00 0.00 N ATOM 793 CA GLY A 50 -7.630 -1.259 13.738 1.00 0.00 C ATOM 794 C GLY A 50 -8.862 -1.040 12.877 1.00 0.00 C ATOM 795 O GLY A 50 -9.921 -1.611 13.135 1.00 0.00 O ATOM 0 H GLY A 50 -6.116 0.190 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.449 -2.329 13.840 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.817 -0.870 14.739 1.00 0.00 H new ATOM 799 N GLN A 51 -8.728 -0.210 11.850 1.00 0.00 N ATOM 800 CA GLN A 51 -9.830 0.066 10.940 1.00 0.00 C ATOM 801 C GLN A 51 -9.628 -0.681 9.624 1.00 0.00 C ATOM 802 O GLN A 51 -10.387 -0.501 8.664 1.00 0.00 O ATOM 803 CB GLN A 51 -9.942 1.569 10.668 1.00 0.00 C ATOM 804 CG GLN A 51 -9.969 2.432 11.924 1.00 0.00 C ATOM 805 CD GLN A 51 -11.133 2.121 12.851 1.00 0.00 C ATOM 806 OE1 GLN A 51 -12.248 1.682 12.289 1.00 0.00 O flip ATOM 807 NE2 GLN A 51 -11.030 2.282 14.067 1.00 0.00 N flip ATOM 0 H GLN A 51 -7.864 0.284 11.627 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.753 -0.276 11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.101 1.878 10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.849 1.756 10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -9.035 2.295 12.469 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.018 3.481 11.633 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.154 2.622 14.464 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.820 2.075 14.678 1.00 0.00 H new ATOM 816 N LEU A 52 -8.597 -1.517 9.578 1.00 0.00 N ATOM 817 CA LEU A 52 -8.295 -2.283 8.379 1.00 0.00 C ATOM 818 C LEU A 52 -9.130 -3.556 8.340 1.00 0.00 C ATOM 819 O LEU A 52 -8.728 -4.606 8.842 1.00 0.00 O ATOM 820 CB LEU A 52 -6.803 -2.618 8.297 1.00 0.00 C ATOM 821 CG LEU A 52 -6.371 -3.360 7.028 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.691 -2.537 5.789 1.00 0.00 C ATOM 823 CD2 LEU A 52 -4.887 -3.688 7.082 1.00 0.00 C ATOM 0 H LEU A 52 -7.958 -1.680 10.357 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.548 -1.670 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.234 -1.691 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.535 -3.224 9.162 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.929 -4.294 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.376 -3.082 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.764 -2.353 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.162 -1.585 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.598 -4.215 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.313 -2.765 7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.685 -4.320 7.947 1.00 0.00 H new ATOM 835 N GLN A 53 -10.314 -3.436 7.768 1.00 0.00 N ATOM 836 CA GLN A 53 -11.221 -4.560 7.630 1.00 0.00 C ATOM 837 C GLN A 53 -11.311 -4.961 6.162 1.00 0.00 C ATOM 838 O GLN A 53 -11.075 -4.131 5.280 1.00 0.00 O ATOM 839 CB GLN A 53 -12.599 -4.184 8.183 1.00 0.00 C ATOM 840 CG GLN A 53 -12.563 -3.785 9.652 1.00 0.00 C ATOM 841 CD GLN A 53 -13.907 -3.333 10.189 1.00 0.00 C ATOM 842 OE1 GLN A 53 -14.728 -2.747 9.331 1.00 0.00 O flip ATOM 843 NE2 GLN A 53 -14.205 -3.505 11.372 1.00 0.00 N flip ATOM 0 H GLN A 53 -10.673 -2.560 7.387 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.846 -5.411 8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.006 -3.359 7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.277 -5.028 8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.211 -4.631 10.242 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.839 -2.981 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.546 -3.961 12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.111 -3.192 11.720 1.00 0.00 H new ATOM 852 N PRO A 54 -11.642 -6.233 5.874 1.00 0.00 N ATOM 853 CA PRO A 54 -11.720 -6.745 4.495 1.00 0.00 C ATOM 854 C PRO A 54 -12.611 -5.892 3.592 1.00 0.00 C ATOM 855 O PRO A 54 -12.348 -5.761 2.399 1.00 0.00 O ATOM 856 CB PRO A 54 -12.310 -8.145 4.674 1.00 0.00 C ATOM 857 CG PRO A 54 -11.897 -8.546 6.046 1.00 0.00 C ATOM 858 CD PRO A 54 -11.946 -7.287 6.864 1.00 0.00 C ATOM 0 HA PRO A 54 -10.747 -6.735 4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.395 -8.135 4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.926 -8.837 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.567 -9.304 6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.895 -8.974 6.045 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.925 -7.141 7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.216 -7.303 7.673 1.00 0.00 H new ATOM 866 N ALA A 55 -13.640 -5.286 4.173 1.00 0.00 N ATOM 867 CA ALA A 55 -14.561 -4.439 3.419 1.00 0.00 C ATOM 868 C ALA A 55 -13.885 -3.145 2.958 1.00 0.00 C ATOM 869 O ALA A 55 -14.343 -2.494 2.024 1.00 0.00 O ATOM 870 CB ALA A 55 -15.793 -4.129 4.255 1.00 0.00 C ATOM 0 H ALA A 55 -13.859 -5.365 5.166 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.866 -4.986 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.472 -3.497 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.298 -5.059 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.494 -3.609 5.165 1.00 0.00 H new ATOM 876 N HIS A 56 -12.786 -2.784 3.613 1.00 0.00 N ATOM 877 CA HIS A 56 -12.030 -1.591 3.240 1.00 0.00 C ATOM 878 C HIS A 56 -10.904 -1.956 2.284 1.00 0.00 C ATOM 879 O HIS A 56 -10.425 -1.120 1.519 1.00 0.00 O ATOM 880 CB HIS A 56 -11.457 -0.891 4.477 1.00 0.00 C ATOM 881 CG HIS A 56 -12.491 -0.202 5.312 1.00 0.00 C ATOM 882 ND1 HIS A 56 -12.283 0.172 6.623 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.749 0.194 5.007 1.00 0.00 C ATOM 884 CE1 HIS A 56 -13.368 0.764 7.084 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.273 0.791 6.126 1.00 0.00 N ATOM 0 H HIS A 56 -12.399 -3.299 4.404 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.714 -0.903 2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.938 -1.626 5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.714 -0.160 4.158 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -11.425 0.016 7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.248 0.064 4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -13.494 1.161 8.081 1.00 0.00 H new ATOM 894 N MET A 57 -10.482 -3.213 2.340 1.00 0.00 N ATOM 895 CA MET A 57 -9.453 -3.714 1.437 1.00 0.00 C ATOM 896 C MET A 57 -10.092 -4.105 0.108 1.00 0.00 C ATOM 897 O MET A 57 -9.413 -4.261 -0.908 1.00 0.00 O ATOM 898 CB MET A 57 -8.742 -4.917 2.061 1.00 0.00 C ATOM 899 CG MET A 57 -7.460 -5.309 1.344 1.00 0.00 C ATOM 900 SD MET A 57 -6.224 -3.998 1.386 1.00 0.00 S ATOM 901 CE MET A 57 -4.865 -4.793 0.535 1.00 0.00 C ATOM 0 H MET A 57 -10.836 -3.904 3.001 1.00 0.00 H new ATOM 0 HA MET A 57 -8.714 -2.932 1.262 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.511 -4.691 3.102 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.422 -5.769 2.063 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.049 -6.207 1.804 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.688 -5.558 0.307 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.986 -4.149 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.639 -5.744 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.141 -4.971 -0.504 1.00 0.00 H new ATOM 911 N ASP A 58 -11.415 -4.241 0.142 1.00 0.00 N ATOM 912 CA ASP A 58 -12.211 -4.619 -1.022 1.00 0.00 C ATOM 913 C ASP A 58 -11.904 -3.733 -2.223 1.00 0.00 C ATOM 914 O ASP A 58 -11.702 -4.228 -3.332 1.00 0.00 O ATOM 915 CB ASP A 58 -13.697 -4.521 -0.677 1.00 0.00 C ATOM 916 CG ASP A 58 -14.594 -4.835 -1.856 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.903 -3.915 -2.638 1.00 0.00 O ATOM 918 OD2 ASP A 58 -15.003 -6.006 -2.001 1.00 0.00 O ATOM 0 H ASP A 58 -11.969 -4.091 0.985 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.955 -5.645 -1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.922 -5.208 0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.916 -3.516 -0.317 1.00 0.00 H new ATOM 923 N ALA A 59 -11.863 -2.426 -1.989 1.00 0.00 N ATOM 924 CA ALA A 59 -11.580 -1.464 -3.048 1.00 0.00 C ATOM 925 C ALA A 59 -10.208 -1.710 -3.661 1.00 0.00 C ATOM 926 O ALA A 59 -10.030 -1.623 -4.877 1.00 0.00 O ATOM 927 CB ALA A 59 -11.671 -0.044 -2.507 1.00 0.00 C ATOM 0 H ALA A 59 -12.023 -2.007 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.327 -1.593 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.458 0.665 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.675 0.135 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.946 0.087 -1.704 1.00 0.00 H new ATOM 933 N VAL A 60 -9.246 -2.049 -2.814 1.00 0.00 N ATOM 934 CA VAL A 60 -7.884 -2.280 -3.264 1.00 0.00 C ATOM 935 C VAL A 60 -7.821 -3.563 -4.083 1.00 0.00 C ATOM 936 O VAL A 60 -7.153 -3.631 -5.114 1.00 0.00 O ATOM 937 CB VAL A 60 -6.906 -2.382 -2.076 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.466 -2.322 -2.555 1.00 0.00 C ATOM 939 CG2 VAL A 60 -7.182 -1.292 -1.051 1.00 0.00 C ATOM 0 H VAL A 60 -9.386 -2.170 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.587 -1.430 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.062 -3.346 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.795 -2.396 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.275 -3.149 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.293 -1.378 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.479 -1.385 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.064 -0.315 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.200 -1.395 -0.676 1.00 0.00 H new ATOM 949 N LEU A 61 -8.550 -4.574 -3.624 1.00 0.00 N ATOM 950 CA LEU A 61 -8.617 -5.852 -4.318 1.00 0.00 C ATOM 951 C LEU A 61 -9.357 -5.712 -5.644 1.00 0.00 C ATOM 952 O LEU A 61 -9.058 -6.419 -6.605 1.00 0.00 O ATOM 953 CB LEU A 61 -9.308 -6.899 -3.442 1.00 0.00 C ATOM 954 CG LEU A 61 -8.587 -7.234 -2.134 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.400 -8.225 -1.317 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.198 -7.788 -2.415 1.00 0.00 C ATOM 0 H LEU A 61 -9.105 -4.531 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.598 -6.179 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.311 -6.546 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.421 -7.816 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.480 -6.316 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.873 -8.452 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.373 -7.793 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.538 -9.142 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.701 -8.020 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.282 -8.695 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.614 -7.046 -2.960 1.00 0.00 H new ATOM 968 N ALA A 62 -10.317 -4.793 -5.688 1.00 0.00 N ATOM 969 CA ALA A 62 -11.095 -4.545 -6.898 1.00 0.00 C ATOM 970 C ALA A 62 -10.230 -3.923 -7.989 1.00 0.00 C ATOM 971 O ALA A 62 -10.419 -4.195 -9.174 1.00 0.00 O ATOM 972 CB ALA A 62 -12.287 -3.650 -6.589 1.00 0.00 C ATOM 0 H ALA A 62 -10.576 -4.205 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.463 -5.503 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.857 -3.475 -7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.925 -4.136 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.934 -2.698 -6.193 1.00 0.00 H new ATOM 978 N LEU A 63 -9.278 -3.090 -7.584 1.00 0.00 N ATOM 979 CA LEU A 63 -8.355 -2.468 -8.531 1.00 0.00 C ATOM 980 C LEU A 63 -7.394 -3.505 -9.110 1.00 0.00 C ATOM 981 O LEU A 63 -6.911 -3.357 -10.235 1.00 0.00 O ATOM 982 CB LEU A 63 -7.565 -1.347 -7.850 1.00 0.00 C ATOM 983 CG LEU A 63 -8.410 -0.200 -7.289 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.523 0.833 -6.611 1.00 0.00 C ATOM 985 CD2 LEU A 63 -9.232 0.446 -8.395 1.00 0.00 C ATOM 0 H LEU A 63 -9.124 -2.829 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.941 -2.043 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.981 -1.778 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.856 -0.936 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.094 -0.608 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.140 1.641 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.977 0.363 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.815 1.236 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.827 1.259 -7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.565 0.840 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.894 -0.298 -8.838 1.00 0.00 H new ATOM 997 N ASN A 64 -7.147 -4.556 -8.329 1.00 0.00 N ATOM 998 CA ASN A 64 -6.248 -5.652 -8.711 1.00 0.00 C ATOM 999 C ASN A 64 -4.824 -5.165 -8.964 1.00 0.00 C ATOM 1000 O ASN A 64 -4.408 -4.979 -10.109 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.766 -6.415 -9.940 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.955 -7.301 -9.622 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.796 -8.458 -9.238 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -9.153 -6.769 -9.792 1.00 0.00 N ATOM 0 H ASN A 64 -7.566 -4.675 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.228 -6.336 -7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.047 -5.701 -10.714 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.961 -7.027 -10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.988 -7.323 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.242 -5.805 -10.112 1.00 0.00 H new ATOM 1011 N PRO A 65 -4.065 -4.919 -7.888 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.652 -4.598 -7.970 1.00 0.00 C ATOM 1013 C PRO A 65 -1.791 -5.859 -7.915 1.00 0.00 C ATOM 1014 O PRO A 65 -2.234 -6.903 -7.435 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.413 -3.729 -6.725 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.680 -3.789 -5.919 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.517 -4.894 -6.501 1.00 0.00 C ATOM 0 HA PRO A 65 -2.389 -4.100 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.567 -4.101 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.180 -2.702 -7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.461 -3.983 -4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.211 -2.838 -5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.343 -5.845 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.583 -4.682 -6.423 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.563 -5.759 -8.402 1.00 0.00 N ATOM 1026 CA ALA A 66 0.354 -6.891 -8.390 1.00 0.00 C ATOM 1027 C ALA A 66 1.069 -6.973 -7.050 1.00 0.00 C ATOM 1028 O ALA A 66 1.385 -8.057 -6.555 1.00 0.00 O ATOM 1029 CB ALA A 66 1.360 -6.769 -9.526 1.00 0.00 C ATOM 0 H ALA A 66 -0.178 -4.907 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.218 -7.807 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.039 -7.622 -9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.832 -6.750 -10.479 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.931 -5.848 -9.409 1.00 0.00 H new ATOM 1035 N VAL A 67 1.318 -5.814 -6.465 1.00 0.00 N ATOM 1036 CA VAL A 67 1.970 -5.737 -5.169 1.00 0.00 C ATOM 1037 C VAL A 67 1.424 -4.549 -4.381 1.00 0.00 C ATOM 1038 O VAL A 67 1.138 -3.496 -4.954 1.00 0.00 O ATOM 1039 CB VAL A 67 3.508 -5.638 -5.328 1.00 0.00 C ATOM 1040 CG1 VAL A 67 3.888 -4.500 -6.260 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.194 -5.479 -3.979 1.00 0.00 C ATOM 0 H VAL A 67 1.077 -4.909 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 67 1.754 -6.651 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 67 3.853 -6.572 -5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.973 -4.453 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.446 -4.671 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.518 -3.558 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.272 -5.412 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.837 -4.571 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.965 -6.340 -3.351 1.00 0.00 H new ATOM 1051 N ILE A 68 1.244 -4.729 -3.080 1.00 0.00 N ATOM 1052 CA ILE A 68 0.677 -3.690 -2.233 1.00 0.00 C ATOM 1053 C ILE A 68 1.566 -3.453 -1.022 1.00 0.00 C ATOM 1054 O ILE A 68 1.855 -4.374 -0.259 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.742 -4.055 -1.745 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.649 -4.401 -2.928 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -1.339 -2.906 -0.942 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -3.020 -4.891 -2.516 1.00 0.00 C ATOM 0 H ILE A 68 1.484 -5.589 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 68 0.614 -2.785 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.667 -4.931 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.762 -3.519 -3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.165 -5.167 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.339 -3.179 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.708 -2.700 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.397 -2.016 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.608 -5.117 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.918 -5.791 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.523 -4.118 -1.935 1.00 0.00 H new ATOM 1070 N LEU A 69 1.997 -2.220 -0.849 1.00 0.00 N ATOM 1071 CA LEU A 69 2.834 -1.861 0.280 1.00 0.00 C ATOM 1072 C LEU A 69 2.049 -1.010 1.258 1.00 0.00 C ATOM 1073 O LEU A 69 1.556 0.062 0.904 1.00 0.00 O ATOM 1074 CB LEU A 69 4.079 -1.116 -0.197 1.00 0.00 C ATOM 1075 CG LEU A 69 5.065 -1.959 -1.006 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.128 -1.070 -1.628 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.707 -3.018 -0.121 1.00 0.00 C ATOM 0 H LEU A 69 1.781 -1.446 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 69 3.152 -2.772 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.766 -0.267 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.598 -0.712 0.672 1.00 0.00 H new ATOM 0 HG LEU A 69 4.521 -2.462 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.824 -1.682 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.654 -0.344 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.670 -0.545 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.406 -3.610 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.241 -2.534 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.934 -3.669 0.286 1.00 0.00 H new ATOM 1089 N LEU A 70 1.915 -1.499 2.475 1.00 0.00 N ATOM 1090 CA LEU A 70 1.180 -0.788 3.503 1.00 0.00 C ATOM 1091 C LEU A 70 2.146 -0.022 4.395 1.00 0.00 C ATOM 1092 O LEU A 70 2.994 -0.618 5.053 1.00 0.00 O ATOM 1093 CB LEU A 70 0.349 -1.767 4.338 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.493 -1.134 5.451 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.557 -0.218 4.867 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -1.133 -2.212 6.314 1.00 0.00 C ATOM 0 H LEU A 70 2.308 -2.391 2.777 1.00 0.00 H new ATOM 0 HA LEU A 70 0.503 -0.080 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.316 -2.314 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.022 -2.498 4.786 1.00 0.00 H new ATOM 0 HG LEU A 70 0.166 -0.535 6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.143 0.220 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.079 0.576 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.213 -0.793 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.727 -1.744 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.777 -2.838 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.354 -2.827 6.766 1.00 0.00 H new ATOM 1108 N GLY A 71 2.029 1.293 4.391 1.00 0.00 N ATOM 1109 CA GLY A 71 2.882 2.114 5.222 1.00 0.00 C ATOM 1110 C GLY A 71 2.150 2.634 6.439 1.00 0.00 C ATOM 1111 O GLY A 71 1.584 3.726 6.412 1.00 0.00 O ATOM 0 H GLY A 71 1.356 1.810 3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.748 1.533 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.258 2.954 4.638 1.00 0.00 H new ATOM 1115 N THR A 72 2.147 1.848 7.504 1.00 0.00 N ATOM 1116 CA THR A 72 1.456 2.217 8.729 1.00 0.00 C ATOM 1117 C THR A 72 2.352 3.039 9.654 1.00 0.00 C ATOM 1118 O THR A 72 2.911 2.509 10.616 1.00 0.00 O ATOM 1119 CB THR A 72 0.954 0.960 9.468 1.00 0.00 C ATOM 1120 OG1 THR A 72 1.867 -0.124 9.250 1.00 0.00 O ATOM 1121 CG2 THR A 72 -0.432 0.564 8.993 1.00 0.00 C ATOM 0 H THR A 72 2.619 0.945 7.544 1.00 0.00 H new ATOM 0 HA THR A 72 0.602 2.833 8.448 1.00 0.00 H new ATOM 0 HB THR A 72 0.899 1.188 10.533 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.448 -0.225 10.033 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.761 -0.325 9.531 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.129 1.381 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.403 0.352 7.924 1.00 0.00 H new ATOM 1129 N GLY A 73 2.486 4.331 9.343 1.00 0.00 N ATOM 1130 CA GLY A 73 3.332 5.218 10.131 1.00 0.00 C ATOM 1131 C GLY A 73 4.716 4.641 10.385 1.00 0.00 C ATOM 1132 O GLY A 73 5.533 4.533 9.468 1.00 0.00 O ATOM 0 H GLY A 73 2.020 4.780 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.431 6.173 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.847 5.421 11.086 1.00 0.00 H new ATOM 1136 N GLU A 74 4.973 4.274 11.632 1.00 0.00 N ATOM 1137 CA GLU A 74 6.220 3.622 12.006 1.00 0.00 C ATOM 1138 C GLU A 74 5.933 2.361 12.824 1.00 0.00 C ATOM 1139 O GLU A 74 6.741 1.938 13.651 1.00 0.00 O ATOM 1140 CB GLU A 74 7.139 4.590 12.776 1.00 0.00 C ATOM 1141 CG GLU A 74 6.413 5.649 13.601 1.00 0.00 C ATOM 1142 CD GLU A 74 5.549 5.068 14.700 1.00 0.00 C ATOM 1143 OE1 GLU A 74 4.362 4.800 14.436 1.00 0.00 O ATOM 1144 OE2 GLU A 74 6.050 4.885 15.828 1.00 0.00 O ATOM 0 H GLU A 74 4.328 4.418 12.409 1.00 0.00 H new ATOM 0 HA GLU A 74 6.744 3.327 11.097 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.779 4.009 13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.793 5.092 12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.148 6.321 14.044 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.790 6.250 12.939 1.00 0.00 H new ATOM 1151 N ARG A 75 4.785 1.751 12.556 1.00 0.00 N ATOM 1152 CA ARG A 75 4.364 0.551 13.265 1.00 0.00 C ATOM 1153 C ARG A 75 4.258 -0.627 12.309 1.00 0.00 C ATOM 1154 O ARG A 75 3.387 -0.650 11.440 1.00 0.00 O ATOM 1155 CB ARG A 75 3.006 0.779 13.934 1.00 0.00 C ATOM 1156 CG ARG A 75 2.996 1.944 14.901 1.00 0.00 C ATOM 1157 CD ARG A 75 3.857 1.663 16.119 1.00 0.00 C ATOM 1158 NE ARG A 75 4.354 2.893 16.723 1.00 0.00 N ATOM 1159 CZ ARG A 75 4.284 3.182 18.016 1.00 0.00 C ATOM 1160 NH1 ARG A 75 3.644 2.375 18.856 1.00 0.00 N ATOM 1161 NH2 ARG A 75 4.844 4.300 18.461 1.00 0.00 N ATOM 0 H ARG A 75 4.125 2.071 11.847 1.00 0.00 H new ATOM 0 HA ARG A 75 5.112 0.328 14.026 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.255 0.951 13.163 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.716 -0.127 14.466 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.358 2.840 14.397 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.973 2.148 15.217 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.277 1.105 16.854 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.699 1.032 15.832 1.00 0.00 H new ATOM 0 HE ARG A 75 4.787 3.581 16.107 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.201 1.525 18.508 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.596 2.606 19.848 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.321 4.925 17.811 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.797 4.534 19.453 1.00 0.00 H new ATOM 1175 N GLN A 76 5.140 -1.601 12.461 1.00 0.00 N ATOM 1176 CA GLN A 76 5.047 -2.819 11.676 1.00 0.00 C ATOM 1177 C GLN A 76 4.353 -3.903 12.489 1.00 0.00 C ATOM 1178 O GLN A 76 4.973 -4.595 13.304 1.00 0.00 O ATOM 1179 CB GLN A 76 6.424 -3.293 11.192 1.00 0.00 C ATOM 1180 CG GLN A 76 6.377 -4.627 10.457 1.00 0.00 C ATOM 1181 CD GLN A 76 7.637 -4.920 9.669 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.601 -5.478 10.195 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.622 -4.580 8.388 1.00 0.00 N ATOM 0 H GLN A 76 5.922 -1.573 13.115 1.00 0.00 H new ATOM 0 HA GLN A 76 4.455 -2.606 10.786 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.850 -2.537 10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.092 -3.381 12.049 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.214 -5.427 11.179 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.523 -4.631 9.779 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.803 -4.119 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.430 -4.779 7.798 1.00 0.00 H new ATOM 1192 N GLN A 77 3.051 -4.008 12.292 1.00 0.00 N ATOM 1193 CA GLN A 77 2.240 -5.002 12.968 1.00 0.00 C ATOM 1194 C GLN A 77 1.407 -5.758 11.945 1.00 0.00 C ATOM 1195 O GLN A 77 0.795 -5.152 11.067 1.00 0.00 O ATOM 1196 CB GLN A 77 1.328 -4.331 14.005 1.00 0.00 C ATOM 1197 CG GLN A 77 0.329 -5.277 14.656 1.00 0.00 C ATOM 1198 CD GLN A 77 0.993 -6.406 15.418 1.00 0.00 C ATOM 1199 OE1 GLN A 77 2.084 -6.249 15.963 1.00 0.00 O ATOM 1200 NE2 GLN A 77 0.350 -7.560 15.439 1.00 0.00 N ATOM 0 H GLN A 77 2.527 -3.405 11.658 1.00 0.00 H new ATOM 0 HA GLN A 77 2.893 -5.703 13.488 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.947 -3.882 14.782 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.783 -3.519 13.523 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.308 -4.712 15.337 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.320 -5.697 13.887 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.554 -7.649 14.974 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.757 -8.362 15.920 1.00 0.00 H new ATOM 1209 N PHE A 78 1.403 -7.077 12.047 1.00 0.00 N ATOM 1210 CA PHE A 78 0.615 -7.895 11.144 1.00 0.00 C ATOM 1211 C PHE A 78 -0.865 -7.796 11.505 1.00 0.00 C ATOM 1212 O PHE A 78 -1.239 -7.945 12.672 1.00 0.00 O ATOM 1213 CB PHE A 78 1.094 -9.358 11.165 1.00 0.00 C ATOM 1214 CG PHE A 78 1.065 -10.013 12.522 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.130 -9.869 13.400 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -0.021 -10.777 12.916 1.00 0.00 C ATOM 1217 CE1 PHE A 78 2.107 -10.474 14.643 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -0.048 -11.383 14.157 1.00 0.00 C ATOM 1219 CZ PHE A 78 1.017 -11.231 15.022 1.00 0.00 C ATOM 0 H PHE A 78 1.934 -7.601 12.743 1.00 0.00 H new ATOM 0 HA PHE A 78 0.749 -7.521 10.129 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.473 -9.939 10.483 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.113 -9.398 10.780 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.986 -9.278 13.109 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.858 -10.901 12.244 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.942 -10.354 15.317 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.902 -11.975 14.450 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.997 -11.703 15.993 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.722 -7.490 10.519 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.165 -7.435 10.719 1.00 0.00 C ATOM 1231 C PRO A 79 -3.780 -8.828 10.777 1.00 0.00 C ATOM 1232 O PRO A 79 -3.069 -9.838 10.769 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.687 -6.675 9.488 1.00 0.00 C ATOM 1234 CG PRO A 79 -2.477 -6.242 8.722 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.359 -7.151 9.141 1.00 0.00 C ATOM 0 HA PRO A 79 -3.424 -6.955 11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.326 -7.314 8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.287 -5.815 9.787 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.652 -6.312 7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.233 -5.202 8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.298 -8.037 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.391 -6.654 9.088 1.00 0.00 H new ATOM 1243 N SER A 80 -5.101 -8.881 10.827 1.00 0.00 N ATOM 1244 CA SER A 80 -5.809 -10.147 10.870 1.00 0.00 C ATOM 1245 C SER A 80 -5.628 -10.891 9.547 1.00 0.00 C ATOM 1246 O SER A 80 -5.571 -10.271 8.478 1.00 0.00 O ATOM 1247 CB SER A 80 -7.295 -9.910 11.159 1.00 0.00 C ATOM 1248 OG SER A 80 -7.950 -11.114 11.524 1.00 0.00 O ATOM 0 H SER A 80 -5.705 -8.059 10.839 1.00 0.00 H new ATOM 0 HA SER A 80 -5.397 -10.760 11.671 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.399 -9.180 11.961 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.775 -9.486 10.277 1.00 0.00 H new ATOM 0 HG SER A 80 -8.811 -11.172 11.059 1.00 0.00 H new ATOM 1254 N THR A 81 -5.541 -12.214 9.626 1.00 0.00 N ATOM 1255 CA THR A 81 -5.280 -13.048 8.460 1.00 0.00 C ATOM 1256 C THR A 81 -6.380 -12.901 7.407 1.00 0.00 C ATOM 1257 O THR A 81 -6.159 -13.173 6.229 1.00 0.00 O ATOM 1258 CB THR A 81 -5.155 -14.529 8.869 1.00 0.00 C ATOM 1259 OG1 THR A 81 -4.333 -14.638 10.039 1.00 0.00 O ATOM 1260 CG2 THR A 81 -4.547 -15.361 7.749 1.00 0.00 C ATOM 0 H THR A 81 -5.649 -12.736 10.496 1.00 0.00 H new ATOM 0 HA THR A 81 -4.339 -12.711 8.025 1.00 0.00 H new ATOM 0 HB THR A 81 -6.155 -14.908 9.077 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.256 -15.580 10.298 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.472 -16.401 8.068 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.180 -15.298 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.553 -14.981 7.512 1.00 0.00 H new ATOM 1268 N ASP A 82 -7.553 -12.445 7.840 1.00 0.00 N ATOM 1269 CA ASP A 82 -8.702 -12.260 6.948 1.00 0.00 C ATOM 1270 C ASP A 82 -8.327 -11.386 5.757 1.00 0.00 C ATOM 1271 O ASP A 82 -8.670 -11.686 4.614 1.00 0.00 O ATOM 1272 CB ASP A 82 -9.868 -11.604 7.695 1.00 0.00 C ATOM 1273 CG ASP A 82 -10.151 -12.249 9.035 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -10.457 -13.457 9.072 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -10.060 -11.548 10.064 1.00 0.00 O ATOM 0 H ASP A 82 -7.736 -12.194 8.811 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.004 -13.246 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.647 -10.547 7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.764 -11.657 7.076 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.607 -10.307 6.036 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.218 -9.357 5.006 1.00 0.00 C ATOM 1282 C VAL A 83 -6.005 -9.869 4.232 1.00 0.00 C ATOM 1283 O VAL A 83 -5.911 -9.710 3.013 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.885 -7.979 5.621 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -6.566 -6.960 4.538 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.031 -7.491 6.495 1.00 0.00 C ATOM 0 H VAL A 83 -7.280 -10.069 6.972 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.062 -9.247 4.325 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.000 -8.095 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.335 -5.999 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.707 -7.301 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.427 -6.849 3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.777 -6.519 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.935 -7.399 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.203 -8.204 7.301 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.090 -10.508 4.950 1.00 0.00 N ATOM 1297 CA LEU A 84 -3.835 -10.969 4.368 1.00 0.00 C ATOM 1298 C LEU A 84 -4.058 -12.136 3.408 1.00 0.00 C ATOM 1299 O LEU A 84 -3.523 -12.144 2.299 1.00 0.00 O ATOM 1300 CB LEU A 84 -2.864 -11.387 5.475 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.500 -10.287 6.475 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -1.564 -10.828 7.542 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.866 -9.100 5.763 1.00 0.00 C ATOM 0 H LEU A 84 -5.194 -10.720 5.942 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.408 -10.142 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.300 -12.223 6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.947 -11.753 5.013 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.416 -9.947 6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.315 -10.033 8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.053 -11.644 8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.652 -11.196 7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.615 -8.330 6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.960 -9.424 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.569 -8.695 5.035 1.00 0.00 H new ATOM 1315 N ALA A 85 -4.861 -13.107 3.837 1.00 0.00 N ATOM 1316 CA ALA A 85 -5.097 -14.319 3.057 1.00 0.00 C ATOM 1317 C ALA A 85 -5.692 -13.997 1.692 1.00 0.00 C ATOM 1318 O ALA A 85 -5.279 -14.563 0.681 1.00 0.00 O ATOM 1319 CB ALA A 85 -6.009 -15.272 3.818 1.00 0.00 C ATOM 0 H ALA A 85 -5.361 -13.077 4.725 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.133 -14.803 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.175 -16.170 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.542 -15.545 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.964 -14.784 4.012 1.00 0.00 H new ATOM 1325 N ALA A 86 -6.645 -13.070 1.667 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.326 -12.694 0.431 1.00 0.00 C ATOM 1327 C ALA A 86 -6.346 -12.136 -0.598 1.00 0.00 C ATOM 1328 O ALA A 86 -6.524 -12.311 -1.803 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.422 -11.681 0.723 1.00 0.00 C ATOM 0 H ALA A 86 -6.965 -12.563 2.492 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.776 -13.592 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.922 -11.408 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.146 -12.117 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.984 -10.791 1.174 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.305 -11.478 -0.116 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.301 -10.901 -0.995 1.00 0.00 C ATOM 1337 C CYS A 87 -3.287 -11.962 -1.415 1.00 0.00 C ATOM 1338 O CYS A 87 -2.988 -12.119 -2.600 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.594 -9.741 -0.291 1.00 0.00 C ATOM 1340 SG CYS A 87 -4.720 -8.482 0.356 1.00 0.00 S ATOM 0 H CYS A 87 -5.133 -11.330 0.878 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.795 -10.523 -1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.997 -10.137 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.903 -9.271 -0.991 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.261 -8.909 1.458 1.00 0.00 H new ATOM 1346 N LEU A 88 -2.793 -12.710 -0.434 1.00 0.00 N ATOM 1347 CA LEU A 88 -1.740 -13.697 -0.664 1.00 0.00 C ATOM 1348 C LEU A 88 -2.197 -14.801 -1.613 1.00 0.00 C ATOM 1349 O LEU A 88 -1.429 -15.250 -2.464 1.00 0.00 O ATOM 1350 CB LEU A 88 -1.287 -14.306 0.665 1.00 0.00 C ATOM 1351 CG LEU A 88 -0.654 -13.319 1.648 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -0.329 -14.012 2.962 1.00 0.00 C ATOM 1353 CD2 LEU A 88 0.599 -12.697 1.048 1.00 0.00 C ATOM 0 H LEU A 88 -3.107 -12.652 0.535 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.902 -13.181 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.147 -14.772 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.569 -15.099 0.457 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.371 -12.523 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.121 -13.296 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.245 -14.410 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.370 -14.828 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.035 -11.998 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.321 -13.481 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.339 -12.166 0.132 1.00 0.00 H new ATOM 1365 N THR A 89 -3.446 -15.227 -1.479 1.00 0.00 N ATOM 1366 CA THR A 89 -3.974 -16.311 -2.300 1.00 0.00 C ATOM 1367 C THR A 89 -4.015 -15.931 -3.779 1.00 0.00 C ATOM 1368 O THR A 89 -3.756 -16.762 -4.651 1.00 0.00 O ATOM 1369 CB THR A 89 -5.382 -16.729 -1.837 1.00 0.00 C ATOM 1370 OG1 THR A 89 -6.189 -15.564 -1.623 1.00 0.00 O ATOM 1371 CG2 THR A 89 -5.314 -17.551 -0.558 1.00 0.00 C ATOM 0 H THR A 89 -4.112 -14.840 -0.811 1.00 0.00 H new ATOM 0 HA THR A 89 -3.295 -17.155 -2.177 1.00 0.00 H new ATOM 0 HB THR A 89 -5.830 -17.345 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.107 -15.276 -0.690 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.322 -17.833 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.723 -18.450 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.848 -16.959 0.230 1.00 0.00 H new ATOM 1379 N ARG A 90 -4.310 -14.666 -4.065 1.00 0.00 N ATOM 1380 CA ARG A 90 -4.424 -14.212 -5.447 1.00 0.00 C ATOM 1381 C ARG A 90 -3.075 -13.745 -5.989 1.00 0.00 C ATOM 1382 O ARG A 90 -2.994 -13.194 -7.086 1.00 0.00 O ATOM 1383 CB ARG A 90 -5.455 -13.087 -5.574 1.00 0.00 C ATOM 1384 CG ARG A 90 -6.804 -13.420 -4.956 1.00 0.00 C ATOM 1385 CD ARG A 90 -7.929 -12.612 -5.585 1.00 0.00 C ATOM 1386 NE ARG A 90 -7.586 -11.197 -5.737 1.00 0.00 N ATOM 1387 CZ ARG A 90 -8.488 -10.228 -5.897 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -9.784 -10.499 -5.823 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -8.090 -8.980 -6.117 1.00 0.00 N ATOM 0 H ARG A 90 -4.473 -13.943 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.760 -15.062 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.060 -12.189 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.597 -12.854 -6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.008 -14.484 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.771 -13.224 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.171 -13.031 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.824 -12.701 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.600 -10.937 -5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.096 -11.453 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.469 -9.753 -5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.094 -8.763 -6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.780 -8.239 -6.239 1.00 0.00 H new ATOM 1403 N GLY A 91 -2.018 -13.968 -5.216 1.00 0.00 N ATOM 1404 CA GLY A 91 -0.683 -13.627 -5.671 1.00 0.00 C ATOM 1405 C GLY A 91 -0.373 -12.154 -5.513 1.00 0.00 C ATOM 1406 O GLY A 91 0.491 -11.616 -6.203 1.00 0.00 O ATOM 0 H GLY A 91 -2.062 -14.378 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.048 -14.210 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.578 -13.906 -6.719 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.082 -11.500 -4.611 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.868 -10.088 -4.357 1.00 0.00 C ATOM 1412 C ILE A 92 0.008 -9.909 -3.124 1.00 0.00 C ATOM 1413 O ILE A 92 -0.374 -10.293 -2.016 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.201 -9.341 -4.157 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.140 -9.598 -5.341 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.945 -7.851 -3.993 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.508 -8.964 -5.187 1.00 0.00 C ATOM 0 H ILE A 92 -1.813 -11.926 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.369 -9.665 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.680 -9.714 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.675 -9.218 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.261 -10.674 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.893 -7.332 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.308 -7.685 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.450 -7.467 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.115 -9.190 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.995 -9.361 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.400 -7.884 -5.090 1.00 0.00 H new ATOM 1429 N GLY A 93 1.185 -9.342 -3.325 1.00 0.00 N ATOM 1430 CA GLY A 93 2.119 -9.165 -2.234 1.00 0.00 C ATOM 1431 C GLY A 93 1.775 -7.982 -1.358 1.00 0.00 C ATOM 1432 O GLY A 93 2.200 -6.862 -1.630 1.00 0.00 O ATOM 0 H GLY A 93 1.512 -8.999 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.137 -10.069 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.123 -9.033 -2.638 1.00 0.00 H new ATOM 1436 N LEU A 94 0.992 -8.227 -0.318 1.00 0.00 N ATOM 1437 CA LEU A 94 0.654 -7.194 0.649 1.00 0.00 C ATOM 1438 C LEU A 94 1.642 -7.217 1.809 1.00 0.00 C ATOM 1439 O LEU A 94 1.595 -8.109 2.659 1.00 0.00 O ATOM 1440 CB LEU A 94 -0.776 -7.393 1.166 1.00 0.00 C ATOM 1441 CG LEU A 94 -1.189 -6.480 2.326 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -1.129 -5.017 1.914 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -2.583 -6.839 2.814 1.00 0.00 C ATOM 0 H LEU A 94 0.577 -9.138 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 94 0.713 -6.223 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.468 -7.237 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.888 -8.429 1.484 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.485 -6.631 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.427 -4.390 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.112 -4.765 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.806 -4.847 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.861 -6.181 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.296 -6.720 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.593 -7.874 3.157 1.00 0.00 H new ATOM 1455 N GLU A 95 2.541 -6.247 1.835 1.00 0.00 N ATOM 1456 CA GLU A 95 3.545 -6.179 2.885 1.00 0.00 C ATOM 1457 C GLU A 95 3.337 -4.948 3.758 1.00 0.00 C ATOM 1458 O GLU A 95 3.360 -3.816 3.272 1.00 0.00 O ATOM 1459 CB GLU A 95 4.955 -6.168 2.289 1.00 0.00 C ATOM 1460 CG GLU A 95 5.232 -7.347 1.370 1.00 0.00 C ATOM 1461 CD GLU A 95 6.709 -7.646 1.240 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.301 -8.153 2.219 1.00 0.00 O ATOM 1463 OE2 GLU A 95 7.283 -7.399 0.160 1.00 0.00 O ATOM 0 H GLU A 95 2.597 -5.498 1.144 1.00 0.00 H new ATOM 0 HA GLU A 95 3.436 -7.067 3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.099 -5.242 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.684 -6.170 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.718 -8.229 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.818 -7.139 0.383 1.00 0.00 H new ATOM 1470 N ALA A 96 3.111 -5.182 5.042 1.00 0.00 N ATOM 1471 CA ALA A 96 2.952 -4.102 6.001 1.00 0.00 C ATOM 1472 C ALA A 96 4.307 -3.641 6.523 1.00 0.00 C ATOM 1473 O ALA A 96 5.033 -4.400 7.169 1.00 0.00 O ATOM 1474 CB ALA A 96 2.058 -4.541 7.150 1.00 0.00 C ATOM 0 H ALA A 96 3.033 -6.116 5.444 1.00 0.00 H new ATOM 0 HA ALA A 96 2.478 -3.261 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.949 -3.721 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.078 -4.819 6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.506 -5.398 7.652 1.00 0.00 H new ATOM 1480 N MET A 97 4.648 -2.400 6.230 1.00 0.00 N ATOM 1481 CA MET A 97 5.910 -1.822 6.661 1.00 0.00 C ATOM 1482 C MET A 97 5.663 -0.443 7.251 1.00 0.00 C ATOM 1483 O MET A 97 4.518 -0.039 7.450 1.00 0.00 O ATOM 1484 CB MET A 97 6.885 -1.698 5.484 1.00 0.00 C ATOM 1485 CG MET A 97 7.230 -3.016 4.811 1.00 0.00 C ATOM 1486 SD MET A 97 8.453 -2.817 3.500 1.00 0.00 S ATOM 1487 CE MET A 97 8.548 -4.486 2.858 1.00 0.00 C ATOM 0 H MET A 97 4.061 -1.765 5.689 1.00 0.00 H new ATOM 0 HA MET A 97 6.349 -2.478 7.412 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.454 -1.027 4.741 1.00 0.00 H new ATOM 0 HB3 MET A 97 7.805 -1.233 5.838 1.00 0.00 H new ATOM 0 HG2 MET A 97 7.611 -3.713 5.557 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.324 -3.457 4.396 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.267 -4.520 2.039 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.868 -5.163 3.650 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.567 -4.792 2.493 1.00 0.00 H new ATOM 1497 N THR A 98 6.733 0.275 7.534 1.00 0.00 N ATOM 1498 CA THR A 98 6.617 1.652 7.962 1.00 0.00 C ATOM 1499 C THR A 98 6.550 2.548 6.732 1.00 0.00 C ATOM 1500 O THR A 98 6.887 2.110 5.631 1.00 0.00 O ATOM 1501 CB THR A 98 7.809 2.070 8.848 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.030 1.978 8.105 1.00 0.00 O ATOM 1503 CG2 THR A 98 7.897 1.185 10.082 1.00 0.00 C ATOM 0 H THR A 98 7.690 -0.073 7.475 1.00 0.00 H new ATOM 0 HA THR A 98 5.709 1.756 8.556 1.00 0.00 H new ATOM 0 HB THR A 98 7.654 3.101 9.165 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.781 2.247 8.675 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.744 1.496 10.693 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.978 1.276 10.661 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.032 0.147 9.777 1.00 0.00 H new ATOM 1511 N ASN A 99 6.118 3.784 6.913 1.00 0.00 N ATOM 1512 CA ASN A 99 6.042 4.740 5.811 1.00 0.00 C ATOM 1513 C ASN A 99 7.406 4.873 5.126 1.00 0.00 C ATOM 1514 O ASN A 99 7.505 4.868 3.895 1.00 0.00 O ATOM 1515 CB ASN A 99 5.548 6.092 6.346 1.00 0.00 C ATOM 1516 CG ASN A 99 5.506 7.194 5.302 1.00 0.00 C ATOM 1517 OD1 ASN A 99 6.451 7.963 5.158 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.403 7.288 4.577 1.00 0.00 N ATOM 0 H ASN A 99 5.813 4.154 7.813 1.00 0.00 H new ATOM 0 HA ASN A 99 5.334 4.383 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.549 5.963 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.196 6.406 7.164 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.318 8.018 3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.638 6.630 4.725 1.00 0.00 H new ATOM 1525 N ALA A 100 8.459 4.922 5.938 1.00 0.00 N ATOM 1526 CA ALA A 100 9.820 5.062 5.433 1.00 0.00 C ATOM 1527 C ALA A 100 10.309 3.781 4.756 1.00 0.00 C ATOM 1528 O ALA A 100 11.038 3.834 3.763 1.00 0.00 O ATOM 1529 CB ALA A 100 10.759 5.457 6.564 1.00 0.00 C ATOM 0 H ALA A 100 8.394 4.866 6.954 1.00 0.00 H new ATOM 0 HA ALA A 100 9.816 5.849 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.773 5.559 6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.436 6.407 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.742 4.688 7.337 1.00 0.00 H new ATOM 1535 N ALA A 101 9.912 2.631 5.291 1.00 0.00 N ATOM 1536 CA ALA A 101 10.325 1.348 4.729 1.00 0.00 C ATOM 1537 C ALA A 101 9.597 1.065 3.420 1.00 0.00 C ATOM 1538 O ALA A 101 10.197 0.580 2.460 1.00 0.00 O ATOM 1539 CB ALA A 101 10.086 0.224 5.723 1.00 0.00 C ATOM 0 H ALA A 101 9.307 2.560 6.109 1.00 0.00 H new ATOM 0 HA ALA A 101 11.393 1.403 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.401 -0.723 5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.660 0.412 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.025 0.175 5.969 1.00 0.00 H new ATOM 1545 N ALA A 102 8.310 1.386 3.384 1.00 0.00 N ATOM 1546 CA ALA A 102 7.498 1.173 2.193 1.00 0.00 C ATOM 1547 C ALA A 102 8.026 1.990 1.022 1.00 0.00 C ATOM 1548 O ALA A 102 8.024 1.527 -0.118 1.00 0.00 O ATOM 1549 CB ALA A 102 6.043 1.519 2.472 1.00 0.00 C ATOM 0 H ALA A 102 7.805 1.796 4.169 1.00 0.00 H new ATOM 0 HA ALA A 102 7.559 0.118 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.451 1.354 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.666 0.886 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.968 2.565 2.769 1.00 0.00 H new ATOM 1555 N ALA A 103 8.489 3.205 1.313 1.00 0.00 N ATOM 1556 CA ALA A 103 9.078 4.067 0.292 1.00 0.00 C ATOM 1557 C ALA A 103 10.279 3.400 -0.378 1.00 0.00 C ATOM 1558 O ALA A 103 10.499 3.556 -1.579 1.00 0.00 O ATOM 1559 CB ALA A 103 9.492 5.395 0.899 1.00 0.00 C ATOM 0 H ALA A 103 8.467 3.614 2.247 1.00 0.00 H new ATOM 0 HA ALA A 103 8.321 4.242 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.929 6.027 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.618 5.890 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.227 5.222 1.686 1.00 0.00 H new ATOM 1565 N ARG A 104 11.040 2.645 0.407 1.00 0.00 N ATOM 1566 CA ARG A 104 12.221 1.950 -0.096 1.00 0.00 C ATOM 1567 C ARG A 104 11.839 0.905 -1.136 1.00 0.00 C ATOM 1568 O ARG A 104 12.401 0.866 -2.231 1.00 0.00 O ATOM 1569 CB ARG A 104 12.970 1.284 1.057 1.00 0.00 C ATOM 1570 CG ARG A 104 13.750 2.257 1.922 1.00 0.00 C ATOM 1571 CD ARG A 104 14.165 1.617 3.238 1.00 0.00 C ATOM 1572 NE ARG A 104 15.207 2.382 3.925 1.00 0.00 N ATOM 1573 CZ ARG A 104 15.011 3.544 4.552 1.00 0.00 C ATOM 1574 NH1 ARG A 104 13.809 4.110 4.574 1.00 0.00 N ATOM 1575 NH2 ARG A 104 16.027 4.134 5.167 1.00 0.00 N ATOM 0 H ARG A 104 10.859 2.498 1.400 1.00 0.00 H new ATOM 0 HA ARG A 104 12.870 2.686 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 104 12.255 0.749 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 104 13.657 0.541 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.636 2.595 1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 104 13.141 3.139 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 104 13.294 1.530 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 104 14.525 0.605 3.050 1.00 0.00 H new ATOM 0 HE ARG A 104 16.152 1.999 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 104 13.023 3.656 4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 104 13.672 4.998 5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 104 16.950 3.700 5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 104 15.886 5.022 5.648 1.00 0.00 H new ATOM 1589 N THR A 105 10.874 0.068 -0.792 1.00 0.00 N ATOM 1590 CA THR A 105 10.421 -0.982 -1.688 1.00 0.00 C ATOM 1591 C THR A 105 9.690 -0.386 -2.890 1.00 0.00 C ATOM 1592 O THR A 105 9.803 -0.886 -4.011 1.00 0.00 O ATOM 1593 CB THR A 105 9.495 -1.962 -0.947 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.046 -2.256 0.342 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.321 -3.254 -1.732 1.00 0.00 C ATOM 0 H THR A 105 10.388 0.096 0.104 1.00 0.00 H new ATOM 0 HA THR A 105 11.297 -1.524 -2.043 1.00 0.00 H new ATOM 0 HB THR A 105 8.517 -1.494 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 105 9.321 -2.349 0.994 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.662 -3.927 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.885 -3.032 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.292 -3.730 -1.870 1.00 0.00 H new ATOM 1603 N TYR A 106 8.960 0.701 -2.650 1.00 0.00 N ATOM 1604 CA TYR A 106 8.211 1.371 -3.705 1.00 0.00 C ATOM 1605 C TYR A 106 9.150 1.885 -4.791 1.00 0.00 C ATOM 1606 O TYR A 106 8.828 1.824 -5.972 1.00 0.00 O ATOM 1607 CB TYR A 106 7.389 2.526 -3.127 1.00 0.00 C ATOM 1608 CG TYR A 106 6.492 3.205 -4.140 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.276 2.642 -4.504 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.860 4.407 -4.733 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.452 3.256 -5.431 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.044 5.027 -5.659 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.841 4.449 -6.004 1.00 0.00 C ATOM 1614 OH TYR A 106 4.028 5.063 -6.930 1.00 0.00 O ATOM 0 H TYR A 106 8.873 1.136 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 106 7.531 0.646 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.776 2.149 -2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.068 3.266 -2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.968 1.709 -4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.801 4.864 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.510 2.804 -5.704 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.347 5.960 -6.111 1.00 0.00 H new ATOM 0 HH TYR A 106 4.449 5.894 -7.235 1.00 0.00 H new ATOM 1624 N ASN A 107 10.314 2.383 -4.382 1.00 0.00 N ATOM 1625 CA ASN A 107 11.313 2.879 -5.327 1.00 0.00 C ATOM 1626 C ASN A 107 11.721 1.785 -6.311 1.00 0.00 C ATOM 1627 O ASN A 107 11.773 2.010 -7.521 1.00 0.00 O ATOM 1628 CB ASN A 107 12.547 3.399 -4.581 1.00 0.00 C ATOM 1629 CG ASN A 107 13.673 3.804 -5.518 1.00 0.00 C ATOM 1630 OD1 ASN A 107 14.538 2.996 -5.853 1.00 0.00 O ATOM 1631 ND2 ASN A 107 13.671 5.056 -5.945 1.00 0.00 N ATOM 0 H ASN A 107 10.590 2.454 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 107 10.867 3.701 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.263 4.256 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.907 2.627 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.404 5.381 -6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 107 12.936 5.696 -5.644 1.00 0.00 H new ATOM 1638 N VAL A 108 11.989 0.597 -5.783 1.00 0.00 N ATOM 1639 CA VAL A 108 12.399 -0.537 -6.607 1.00 0.00 C ATOM 1640 C VAL A 108 11.270 -0.956 -7.545 1.00 0.00 C ATOM 1641 O VAL A 108 11.490 -1.222 -8.729 1.00 0.00 O ATOM 1642 CB VAL A 108 12.811 -1.742 -5.733 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.351 -2.880 -6.589 1.00 0.00 C ATOM 1644 CG2 VAL A 108 13.834 -1.320 -4.688 1.00 0.00 C ATOM 0 H VAL A 108 11.930 0.392 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 108 13.260 -0.219 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 108 11.922 -2.105 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.633 -3.715 -5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.582 -3.205 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.225 -2.536 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.112 -2.182 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.720 -0.925 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.404 -0.550 -4.048 1.00 0.00 H new ATOM 1654 N LEU A 109 10.055 -0.989 -7.015 1.00 0.00 N ATOM 1655 CA LEU A 109 8.890 -1.397 -7.788 1.00 0.00 C ATOM 1656 C LEU A 109 8.538 -0.351 -8.845 1.00 0.00 C ATOM 1657 O LEU A 109 8.036 -0.688 -9.921 1.00 0.00 O ATOM 1658 CB LEU A 109 7.702 -1.639 -6.857 1.00 0.00 C ATOM 1659 CG LEU A 109 7.919 -2.742 -5.820 1.00 0.00 C ATOM 1660 CD1 LEU A 109 6.745 -2.812 -4.860 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.128 -4.086 -6.504 1.00 0.00 C ATOM 0 H LEU A 109 9.850 -0.737 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 109 9.129 -2.326 -8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.470 -0.710 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.830 -1.892 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 109 8.816 -2.502 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.918 -3.603 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.640 -1.858 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.832 -3.026 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.281 -4.858 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.250 -4.331 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.003 -4.033 -7.151 1.00 0.00 H new ATOM 1673 N ALA A 110 8.812 0.912 -8.537 1.00 0.00 N ATOM 1674 CA ALA A 110 8.569 2.004 -9.473 1.00 0.00 C ATOM 1675 C ALA A 110 9.478 1.881 -10.688 1.00 0.00 C ATOM 1676 O ALA A 110 9.041 2.073 -11.823 1.00 0.00 O ATOM 1677 CB ALA A 110 8.774 3.349 -8.791 1.00 0.00 C ATOM 0 H ALA A 110 9.204 1.206 -7.642 1.00 0.00 H new ATOM 0 HA ALA A 110 7.534 1.941 -9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 110 8.588 4.151 -9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.083 3.441 -7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.798 3.419 -8.425 1.00 0.00 H new ATOM 1683 N SER A 111 10.739 1.538 -10.449 1.00 0.00 N ATOM 1684 CA SER A 111 11.696 1.356 -11.531 1.00 0.00 C ATOM 1685 C SER A 111 11.421 0.062 -12.296 1.00 0.00 C ATOM 1686 O SER A 111 11.959 -0.160 -13.382 1.00 0.00 O ATOM 1687 CB SER A 111 13.123 1.368 -10.978 1.00 0.00 C ATOM 1688 OG SER A 111 13.225 0.593 -9.794 1.00 0.00 O ATOM 0 H SER A 111 11.121 1.381 -9.516 1.00 0.00 H new ATOM 0 HA SER A 111 11.586 2.184 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.810 0.979 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.426 2.394 -10.770 1.00 0.00 H new ATOM 0 HG SER A 111 12.508 -0.075 -9.777 1.00 0.00 H new ATOM 1694 N GLU A 112 10.577 -0.787 -11.722 1.00 0.00 N ATOM 1695 CA GLU A 112 10.170 -2.021 -12.374 1.00 0.00 C ATOM 1696 C GLU A 112 8.966 -1.782 -13.276 1.00 0.00 C ATOM 1697 O GLU A 112 8.722 -2.535 -14.219 1.00 0.00 O ATOM 1698 CB GLU A 112 9.839 -3.094 -11.337 1.00 0.00 C ATOM 1699 CG GLU A 112 10.857 -4.215 -11.280 1.00 0.00 C ATOM 1700 CD GLU A 112 11.021 -4.898 -12.620 1.00 0.00 C ATOM 1701 OE1 GLU A 112 10.201 -5.782 -12.947 1.00 0.00 O ATOM 1702 OE2 GLU A 112 11.960 -4.543 -13.361 1.00 0.00 O ATOM 0 H GLU A 112 10.161 -0.640 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 112 11.002 -2.369 -12.986 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.768 -2.628 -10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.859 -3.515 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.818 -3.816 -10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.548 -4.948 -10.535 1.00 0.00 H new ATOM 1709 N GLY A 113 8.215 -0.728 -12.981 1.00 0.00 N ATOM 1710 CA GLY A 113 7.026 -0.422 -13.753 1.00 0.00 C ATOM 1711 C GLY A 113 5.915 -1.423 -13.508 1.00 0.00 C ATOM 1712 O GLY A 113 5.144 -1.744 -14.409 1.00 0.00 O ATOM 0 H GLY A 113 8.409 -0.078 -12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.676 0.578 -13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.276 -0.411 -14.814 1.00 0.00 H new ATOM 1716 N ARG A 114 5.842 -1.924 -12.285 1.00 0.00 N ATOM 1717 CA ARG A 114 4.820 -2.894 -11.922 1.00 0.00 C ATOM 1718 C ARG A 114 3.656 -2.195 -11.236 1.00 0.00 C ATOM 1719 O ARG A 114 3.815 -1.098 -10.701 1.00 0.00 O ATOM 1720 CB ARG A 114 5.405 -3.974 -11.007 1.00 0.00 C ATOM 1721 CG ARG A 114 6.538 -4.759 -11.647 1.00 0.00 C ATOM 1722 CD ARG A 114 7.060 -5.847 -10.724 1.00 0.00 C ATOM 1723 NE ARG A 114 8.182 -6.568 -11.321 1.00 0.00 N ATOM 1724 CZ ARG A 114 8.484 -7.836 -11.058 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.755 -8.543 -10.205 1.00 0.00 N ATOM 1726 NH2 ARG A 114 9.524 -8.401 -11.658 1.00 0.00 N ATOM 0 H ARG A 114 6.478 -1.675 -11.527 1.00 0.00 H new ATOM 0 HA ARG A 114 4.457 -3.373 -12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.769 -3.506 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 114 4.612 -4.664 -10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.190 -5.207 -12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.351 -4.080 -11.905 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.374 -5.403 -9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.257 -6.548 -10.496 1.00 0.00 H new ATOM 0 HE ARG A 114 8.773 -6.065 -11.983 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.953 -8.115 -9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.996 -9.515 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.087 -7.863 -12.317 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.761 -9.373 -11.460 1.00 0.00 H new ATOM 1740 N ARG A 115 2.486 -2.823 -11.255 1.00 0.00 N ATOM 1741 CA ARG A 115 1.305 -2.222 -10.655 1.00 0.00 C ATOM 1742 C ARG A 115 1.357 -2.373 -9.137 1.00 0.00 C ATOM 1743 O ARG A 115 0.894 -3.373 -8.572 1.00 0.00 O ATOM 1744 CB ARG A 115 0.024 -2.848 -11.216 1.00 0.00 C ATOM 1745 CG ARG A 115 -1.193 -1.937 -11.104 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.005 -0.667 -11.923 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.160 0.234 -11.849 1.00 0.00 N ATOM 1748 CZ ARG A 115 -2.262 1.369 -12.548 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -1.275 1.743 -13.356 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -3.343 2.134 -12.427 1.00 0.00 N ATOM 0 H ARG A 115 2.332 -3.739 -11.676 1.00 0.00 H new ATOM 0 HA ARG A 115 1.294 -1.161 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.182 -3.104 -12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.178 -3.779 -10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -2.081 -2.467 -11.448 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -1.362 -1.678 -10.059 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.117 -0.142 -11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -0.825 -0.935 -12.964 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.929 -0.020 -11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.440 1.164 -13.443 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.353 2.609 -13.889 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.097 1.855 -11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.418 2.999 -12.962 1.00 0.00 H new ATOM 1764 N VAL A 116 1.969 -1.394 -8.492 1.00 0.00 N ATOM 1765 CA VAL A 116 2.105 -1.388 -7.048 1.00 0.00 C ATOM 1766 C VAL A 116 1.121 -0.411 -6.418 1.00 0.00 C ATOM 1767 O VAL A 116 0.981 0.726 -6.868 1.00 0.00 O ATOM 1768 CB VAL A 116 3.553 -1.035 -6.618 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.025 0.252 -7.282 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.662 -0.926 -5.101 1.00 0.00 C ATOM 0 H VAL A 116 2.384 -0.585 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 116 1.880 -2.394 -6.694 1.00 0.00 H new ATOM 0 HB VAL A 116 4.202 -1.845 -6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.043 0.474 -6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.003 0.132 -8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.367 1.072 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.687 -0.678 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.991 -0.145 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.385 -1.878 -4.647 1.00 0.00 H new ATOM 1780 N ALA A 117 0.417 -0.876 -5.401 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.499 -0.036 -4.655 1.00 0.00 C ATOM 1782 C ALA A 117 0.150 0.398 -3.352 1.00 0.00 C ATOM 1783 O ALA A 117 0.335 -0.411 -2.442 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.802 -0.774 -4.385 1.00 0.00 C ATOM 0 H ALA A 117 0.464 -1.840 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.730 0.850 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.477 -0.127 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.267 -1.050 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.597 -1.674 -3.806 1.00 0.00 H new ATOM 1790 N LEU A 118 0.530 1.661 -3.274 1.00 0.00 N ATOM 1791 CA LEU A 118 1.161 2.182 -2.078 1.00 0.00 C ATOM 1792 C LEU A 118 0.103 2.706 -1.115 1.00 0.00 C ATOM 1793 O LEU A 118 -0.337 3.851 -1.222 1.00 0.00 O ATOM 1794 CB LEU A 118 2.155 3.291 -2.435 1.00 0.00 C ATOM 1795 CG LEU A 118 3.064 3.745 -1.295 1.00 0.00 C ATOM 1796 CD1 LEU A 118 3.967 2.605 -0.852 1.00 0.00 C ATOM 1797 CD2 LEU A 118 3.890 4.951 -1.720 1.00 0.00 C ATOM 0 H LEU A 118 0.412 2.342 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 118 1.709 1.375 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.779 2.945 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.596 4.154 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 118 2.441 4.038 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.609 2.944 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.357 1.770 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.584 2.282 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.532 5.261 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.506 4.686 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.224 5.771 -1.990 1.00 0.00 H new ATOM 1809 N ALA A 119 -0.321 1.852 -0.200 1.00 0.00 N ATOM 1810 CA ALA A 119 -1.323 2.223 0.784 1.00 0.00 C ATOM 1811 C ALA A 119 -0.652 2.868 1.984 1.00 0.00 C ATOM 1812 O ALA A 119 -0.055 2.189 2.819 1.00 0.00 O ATOM 1813 CB ALA A 119 -2.135 1.007 1.204 1.00 0.00 C ATOM 0 H ALA A 119 0.015 0.892 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.008 2.945 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.881 1.304 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.635 0.585 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.472 0.259 1.639 1.00 0.00 H new ATOM 1819 N MET A 120 -0.734 4.183 2.055 1.00 0.00 N ATOM 1820 CA MET A 120 -0.054 4.927 3.099 1.00 0.00 C ATOM 1821 C MET A 120 -1.024 5.410 4.161 1.00 0.00 C ATOM 1822 O MET A 120 -1.935 6.188 3.879 1.00 0.00 O ATOM 1823 CB MET A 120 0.699 6.122 2.512 1.00 0.00 C ATOM 1824 CG MET A 120 2.002 5.756 1.824 1.00 0.00 C ATOM 1825 SD MET A 120 3.178 4.982 2.949 1.00 0.00 S ATOM 1826 CE MET A 120 4.654 4.966 1.937 1.00 0.00 C ATOM 0 H MET A 120 -1.265 4.759 1.402 1.00 0.00 H new ATOM 0 HA MET A 120 0.659 4.247 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.052 6.629 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.910 6.833 3.311 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.795 5.078 0.996 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.449 6.654 1.397 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.519 5.214 2.552 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.788 3.974 1.505 1.00 0.00 H new ATOM 0 HE3 MET A 120 4.555 5.700 1.137 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.824 4.935 5.377 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.550 5.444 6.522 1.00 0.00 C ATOM 1838 C ILE A 121 -0.654 6.432 7.251 1.00 0.00 C ATOM 1839 O ILE A 121 0.198 6.049 8.061 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.997 4.318 7.480 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.857 3.298 6.726 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.764 4.899 8.660 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -3.332 2.144 7.583 1.00 0.00 C ATOM 0 H ILE A 121 -0.160 4.192 5.596 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.459 5.932 6.171 1.00 0.00 H new ATOM 0 HB ILE A 121 -1.112 3.810 7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.725 3.808 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.284 2.903 5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.072 4.093 9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.124 5.594 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.646 5.427 8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.934 1.466 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.471 1.608 7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.934 2.527 8.407 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.817 7.699 6.914 1.00 0.00 N ATOM 1856 CA VAL A 122 0.063 8.741 7.408 1.00 0.00 C ATOM 1857 C VAL A 122 -0.484 9.361 8.685 1.00 0.00 C ATOM 1858 O VAL A 122 -1.562 9.960 8.689 1.00 0.00 O ATOM 1859 CB VAL A 122 0.267 9.845 6.349 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.261 10.886 6.836 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.726 9.241 5.030 1.00 0.00 C ATOM 0 H VAL A 122 -1.557 8.032 6.296 1.00 0.00 H new ATOM 0 HA VAL A 122 1.024 8.275 7.624 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.690 10.341 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.388 11.653 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.889 11.344 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.221 10.408 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.865 10.034 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.669 8.716 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.027 8.540 4.669 1.00 0.00 H new ATOM 1871 N GLY A 123 0.259 9.202 9.768 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.140 9.774 11.032 1.00 0.00 C ATOM 1873 C GLY A 123 0.833 9.437 12.140 1.00 0.00 C ATOM 1874 O GLY A 123 1.806 8.711 11.921 1.00 0.00 O ATOM 0 H GLY A 123 1.137 8.683 9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.215 10.857 10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.132 9.409 11.298 1.00 0.00 H new