USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 504 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 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.0016) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.826 K(o=-0.83,f=-3.7!) USER MOD Single : A 37 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.19) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 105:sc= 1.13 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.26) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00486 USER MOD Single : A 86 SER OG : rot -55:sc= 0.748 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -129:sc= 1.24 USER MOD Single : A 92 GLN : amide:sc= -0.465 K(o=-0.46,f=-1.9) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -159:sc= -0.0089 (180deg=-0.699) USER MOD Single : A 98 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.81) USER MOD Single : A 99 MET CE :methyl -138:sc= -0.174 (180deg=-3.28!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 16 2.025 18.692 -9.447 1.00 0.00 N ATOM 211 CA PRO A 16 0.645 18.853 -8.924 1.00 0.00 C ATOM 212 C PRO A 16 0.385 20.313 -8.533 1.00 0.00 C ATOM 213 O PRO A 16 -0.744 20.718 -8.335 1.00 0.00 O ATOM 214 CB PRO A 16 0.616 17.942 -7.699 1.00 0.00 C ATOM 215 CG PRO A 16 2.043 17.827 -7.272 1.00 0.00 C ATOM 216 CD PRO A 16 2.878 17.934 -8.522 1.00 0.00 C ATOM 0 HA PRO A 16 -0.123 18.597 -9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.001 18.365 -6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.196 16.966 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.301 18.616 -6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.221 16.877 -6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.819 18.450 -8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.128 16.951 -8.922 1.00 0.00 H new ATOM 224 N SER A 17 1.420 21.105 -8.424 1.00 0.00 N ATOM 225 CA SER A 17 1.228 22.537 -8.052 1.00 0.00 C ATOM 226 C SER A 17 0.488 23.279 -9.168 1.00 0.00 C ATOM 227 O SER A 17 -0.114 24.312 -8.946 1.00 0.00 O ATOM 228 CB SER A 17 2.639 23.097 -7.881 1.00 0.00 C ATOM 229 OG SER A 17 2.968 23.131 -6.498 1.00 0.00 O ATOM 0 H SER A 17 2.388 20.822 -8.576 1.00 0.00 H new ATOM 0 HA SER A 17 0.633 22.651 -7.146 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.356 22.479 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.699 24.099 -8.305 1.00 0.00 H new ATOM 0 HG SER A 17 3.874 23.488 -6.386 1.00 0.00 H new ATOM 235 N ALA A 18 0.527 22.761 -10.369 1.00 0.00 N ATOM 236 CA ALA A 18 -0.174 23.439 -11.501 1.00 0.00 C ATOM 237 C ALA A 18 -1.668 23.586 -11.191 1.00 0.00 C ATOM 238 O ALA A 18 -2.308 24.528 -11.615 1.00 0.00 O ATOM 239 CB ALA A 18 0.032 22.521 -12.706 1.00 0.00 C ATOM 0 H ALA A 18 1.013 21.899 -10.615 1.00 0.00 H new ATOM 0 HA ALA A 18 0.214 24.442 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.456 22.953 -13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.099 22.412 -12.903 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.400 21.542 -12.496 1.00 0.00 H new ATOM 245 N ASP A 19 -2.226 22.663 -10.453 1.00 0.00 N ATOM 246 CA ASP A 19 -3.675 22.748 -10.113 1.00 0.00 C ATOM 247 C ASP A 19 -4.025 21.727 -9.028 1.00 0.00 C ATOM 248 O ASP A 19 -3.853 20.539 -9.217 1.00 0.00 O ATOM 249 CB ASP A 19 -4.411 22.423 -11.415 1.00 0.00 C ATOM 250 CG ASP A 19 -4.880 23.720 -12.077 1.00 0.00 C ATOM 251 OD1 ASP A 19 -5.338 24.596 -11.361 1.00 0.00 O ATOM 252 OD2 ASP A 19 -4.773 23.816 -13.289 1.00 0.00 O ATOM 0 H ASP A 19 -1.739 21.852 -10.071 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.950 23.729 -9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.753 21.876 -12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.265 21.778 -11.210 1.00 0.00 H new ATOM 257 N PRO A 20 -4.502 22.229 -7.919 1.00 0.00 N ATOM 258 CA PRO A 20 -4.873 21.348 -6.790 1.00 0.00 C ATOM 259 C PRO A 20 -6.198 20.638 -7.081 1.00 0.00 C ATOM 260 O PRO A 20 -6.378 19.480 -6.756 1.00 0.00 O ATOM 261 CB PRO A 20 -5.019 22.314 -5.622 1.00 0.00 C ATOM 262 CG PRO A 20 -5.346 23.635 -6.241 1.00 0.00 C ATOM 263 CD PRO A 20 -4.734 23.648 -7.614 1.00 0.00 C ATOM 0 HA PRO A 20 -4.143 20.561 -6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.808 21.992 -4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.099 22.369 -5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.425 23.775 -6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.951 24.451 -5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.401 24.108 -8.343 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.804 24.216 -7.630 1.00 0.00 H new ATOM 271 N GLU A 21 -7.129 21.325 -7.689 1.00 0.00 N ATOM 272 CA GLU A 21 -8.445 20.693 -8.002 1.00 0.00 C ATOM 273 C GLU A 21 -8.250 19.500 -8.941 1.00 0.00 C ATOM 274 O GLU A 21 -8.776 18.428 -8.714 1.00 0.00 O ATOM 275 CB GLU A 21 -9.259 21.790 -8.691 1.00 0.00 C ATOM 276 CG GLU A 21 -10.711 21.330 -8.854 1.00 0.00 C ATOM 277 CD GLU A 21 -11.130 21.459 -10.320 1.00 0.00 C ATOM 278 OE1 GLU A 21 -11.069 22.563 -10.838 1.00 0.00 O ATOM 279 OE2 GLU A 21 -11.503 20.453 -10.900 1.00 0.00 O ATOM 0 H GLU A 21 -7.035 22.297 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.943 20.316 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.222 22.707 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.828 22.018 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.814 20.296 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.366 21.931 -8.224 1.00 0.00 H new ATOM 286 N LEU A 22 -7.497 19.678 -9.995 1.00 0.00 N ATOM 287 CA LEU A 22 -7.268 18.554 -10.949 1.00 0.00 C ATOM 288 C LEU A 22 -6.549 17.401 -10.243 1.00 0.00 C ATOM 289 O LEU A 22 -6.730 16.247 -10.577 1.00 0.00 O ATOM 290 CB LEU A 22 -6.384 19.139 -12.052 1.00 0.00 C ATOM 291 CG LEU A 22 -7.264 19.731 -13.154 1.00 0.00 C ATOM 292 CD1 LEU A 22 -8.016 20.947 -12.611 1.00 0.00 C ATOM 293 CD2 LEU A 22 -6.386 20.159 -14.331 1.00 0.00 C ATOM 0 H LEU A 22 -7.031 20.553 -10.236 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.201 18.154 -11.345 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.732 19.909 -11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.739 18.363 -12.465 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.981 18.981 -13.488 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.643 21.368 -13.397 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.642 20.643 -11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.300 21.698 -12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.012 20.581 -15.117 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.669 20.909 -13.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.851 19.293 -14.719 1.00 0.00 H new ATOM 305 N ALA A 23 -5.736 17.708 -9.267 1.00 0.00 N ATOM 306 CA ALA A 23 -5.005 16.632 -8.536 1.00 0.00 C ATOM 307 C ALA A 23 -5.995 15.718 -7.811 1.00 0.00 C ATOM 308 O ALA A 23 -5.829 14.514 -7.774 1.00 0.00 O ATOM 309 CB ALA A 23 -4.117 17.366 -7.530 1.00 0.00 C ATOM 0 H ALA A 23 -5.547 18.657 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.423 16.001 -9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.545 16.640 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.432 18.026 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.740 17.956 -6.858 1.00 0.00 H new ATOM 315 N LEU A 24 -7.024 16.280 -7.234 1.00 0.00 N ATOM 316 CA LEU A 24 -8.026 15.443 -6.511 1.00 0.00 C ATOM 317 C LEU A 24 -8.871 14.648 -7.509 1.00 0.00 C ATOM 318 O LEU A 24 -9.160 13.486 -7.304 1.00 0.00 O ATOM 319 CB LEU A 24 -8.896 16.436 -5.740 1.00 0.00 C ATOM 320 CG LEU A 24 -8.387 16.550 -4.301 1.00 0.00 C ATOM 321 CD1 LEU A 24 -9.148 17.660 -3.576 1.00 0.00 C ATOM 322 CD2 LEU A 24 -8.611 15.221 -3.575 1.00 0.00 C ATOM 0 H LEU A 24 -7.214 17.282 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.554 14.718 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.870 17.412 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.935 16.106 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.323 16.786 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.785 17.741 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.990 18.607 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.212 17.425 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.249 15.301 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.675 14.986 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.068 14.429 -4.091 1.00 0.00 H new ATOM 334 N ALA A 25 -9.266 15.265 -8.592 1.00 0.00 N ATOM 335 CA ALA A 25 -10.090 14.541 -9.606 1.00 0.00 C ATOM 336 C ALA A 25 -9.308 13.345 -10.158 1.00 0.00 C ATOM 337 O ALA A 25 -9.852 12.279 -10.366 1.00 0.00 O ATOM 338 CB ALA A 25 -10.356 15.565 -10.711 1.00 0.00 C ATOM 0 H ALA A 25 -9.054 16.237 -8.818 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.017 14.152 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.958 15.106 -11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.892 16.418 -10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.408 15.901 -11.131 1.00 0.00 H new ATOM 344 N LEU A 26 -8.035 13.518 -10.391 1.00 0.00 N ATOM 345 CA LEU A 26 -7.211 12.395 -10.925 1.00 0.00 C ATOM 346 C LEU A 26 -6.970 11.350 -9.830 1.00 0.00 C ATOM 347 O LEU A 26 -6.678 10.203 -10.109 1.00 0.00 O ATOM 348 CB LEU A 26 -5.889 13.037 -11.357 1.00 0.00 C ATOM 349 CG LEU A 26 -5.480 12.511 -12.738 1.00 0.00 C ATOM 350 CD1 LEU A 26 -5.334 10.988 -12.688 1.00 0.00 C ATOM 351 CD2 LEU A 26 -6.548 12.888 -13.767 1.00 0.00 C ATOM 0 H LEU A 26 -7.529 14.390 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.701 11.882 -11.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.994 14.121 -11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.110 12.813 -10.628 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.527 12.956 -13.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.043 10.618 -13.671 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.570 10.719 -11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.285 10.541 -12.399 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.256 12.514 -14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.502 12.447 -13.479 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.647 13.973 -13.807 1.00 0.00 H new ATOM 363 N ARG A 27 -7.093 11.737 -8.588 1.00 0.00 N ATOM 364 CA ARG A 27 -6.877 10.767 -7.477 1.00 0.00 C ATOM 365 C ARG A 27 -8.158 9.974 -7.226 1.00 0.00 C ATOM 366 O ARG A 27 -8.127 8.856 -6.753 1.00 0.00 O ATOM 367 CB ARG A 27 -6.529 11.626 -6.261 1.00 0.00 C ATOM 368 CG ARG A 27 -5.928 10.742 -5.167 1.00 0.00 C ATOM 369 CD ARG A 27 -4.440 10.523 -5.450 1.00 0.00 C ATOM 370 NE ARG A 27 -4.102 9.247 -4.761 1.00 0.00 N ATOM 371 CZ ARG A 27 -2.958 9.121 -4.146 1.00 0.00 C ATOM 372 NH1 ARG A 27 -2.588 10.014 -3.268 1.00 0.00 N ATOM 373 NH2 ARG A 27 -2.183 8.105 -4.410 1.00 0.00 N ATOM 0 H ARG A 27 -7.334 12.684 -8.296 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.091 10.046 -7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.821 12.405 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.423 12.127 -5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.059 11.212 -4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.447 9.784 -5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.247 10.457 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.840 11.349 -5.069 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.765 8.472 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.193 10.809 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.694 9.916 -2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.471 7.409 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.289 8.007 -3.929 1.00 0.00 H new ATOM 387 N VAL A 28 -9.288 10.549 -7.545 1.00 0.00 N ATOM 388 CA VAL A 28 -10.575 9.831 -7.329 1.00 0.00 C ATOM 389 C VAL A 28 -10.785 8.794 -8.435 1.00 0.00 C ATOM 390 O VAL A 28 -11.322 7.728 -8.207 1.00 0.00 O ATOM 391 CB VAL A 28 -11.657 10.914 -7.393 1.00 0.00 C ATOM 392 CG1 VAL A 28 -13.029 10.277 -7.165 1.00 0.00 C ATOM 393 CG2 VAL A 28 -11.398 11.962 -6.307 1.00 0.00 C ATOM 0 H VAL A 28 -9.373 11.483 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.597 9.297 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.634 11.392 -8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.800 11.047 -7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.216 9.530 -7.937 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.050 9.800 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.168 12.732 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.421 11.484 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.420 12.417 -6.466 1.00 0.00 H new ATOM 403 N SER A 29 -10.360 9.100 -9.633 1.00 0.00 N ATOM 404 CA SER A 29 -10.529 8.133 -10.756 1.00 0.00 C ATOM 405 C SER A 29 -9.477 7.026 -10.657 1.00 0.00 C ATOM 406 O SER A 29 -9.736 5.881 -10.970 1.00 0.00 O ATOM 407 CB SER A 29 -10.321 8.958 -12.026 1.00 0.00 C ATOM 408 OG SER A 29 -11.454 9.790 -12.236 1.00 0.00 O ATOM 0 H SER A 29 -9.903 9.978 -9.881 1.00 0.00 H new ATOM 0 HA SER A 29 -11.505 7.649 -10.742 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.421 9.566 -11.935 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.176 8.299 -12.882 1.00 0.00 H new ATOM 0 HG SER A 29 -11.323 10.322 -13.049 1.00 0.00 H new ATOM 414 N MET A 30 -8.293 7.361 -10.218 1.00 0.00 N ATOM 415 CA MET A 30 -7.222 6.329 -10.092 1.00 0.00 C ATOM 416 C MET A 30 -7.570 5.350 -8.969 1.00 0.00 C ATOM 417 O MET A 30 -7.341 4.161 -9.076 1.00 0.00 O ATOM 418 CB MET A 30 -5.953 7.111 -9.749 1.00 0.00 C ATOM 419 CG MET A 30 -4.748 6.169 -9.784 1.00 0.00 C ATOM 420 SD MET A 30 -3.264 7.104 -10.229 1.00 0.00 S ATOM 421 CE MET A 30 -2.121 5.701 -10.290 1.00 0.00 C ATOM 0 H MET A 30 -8.021 8.304 -9.941 1.00 0.00 H new ATOM 0 HA MET A 30 -7.102 5.742 -11.003 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.812 7.926 -10.459 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.047 7.562 -8.761 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.615 5.696 -8.811 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.918 5.371 -10.506 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.124 6.055 -10.553 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.088 5.216 -9.315 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.461 4.987 -11.040 1.00 0.00 H new ATOM 431 N GLU A 31 -8.126 5.842 -7.894 1.00 0.00 N ATOM 432 CA GLU A 31 -8.494 4.943 -6.761 1.00 0.00 C ATOM 433 C GLU A 31 -9.669 4.049 -7.163 1.00 0.00 C ATOM 434 O GLU A 31 -9.739 2.894 -6.789 1.00 0.00 O ATOM 435 CB GLU A 31 -8.898 5.882 -5.622 1.00 0.00 C ATOM 436 CG GLU A 31 -9.002 5.089 -4.316 1.00 0.00 C ATOM 437 CD GLU A 31 -8.395 5.904 -3.172 1.00 0.00 C ATOM 438 OE1 GLU A 31 -8.717 7.075 -3.069 1.00 0.00 O ATOM 439 OE2 GLU A 31 -7.617 5.341 -2.419 1.00 0.00 O ATOM 0 H GLU A 31 -8.342 6.829 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.675 4.284 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.163 6.680 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.853 6.356 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.046 4.860 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.481 4.137 -4.414 1.00 0.00 H new ATOM 446 N GLU A 32 -10.592 4.574 -7.924 1.00 0.00 N ATOM 447 CA GLU A 32 -11.763 3.754 -8.356 1.00 0.00 C ATOM 448 C GLU A 32 -11.304 2.639 -9.298 1.00 0.00 C ATOM 449 O GLU A 32 -11.621 1.481 -9.107 1.00 0.00 O ATOM 450 CB GLU A 32 -12.684 4.731 -9.090 1.00 0.00 C ATOM 451 CG GLU A 32 -13.569 5.459 -8.077 1.00 0.00 C ATOM 452 CD GLU A 32 -14.923 4.753 -7.977 1.00 0.00 C ATOM 453 OE1 GLU A 32 -15.760 4.996 -8.831 1.00 0.00 O ATOM 454 OE2 GLU A 32 -15.100 3.981 -7.049 1.00 0.00 O ATOM 0 H GLU A 32 -10.586 5.535 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.266 3.276 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.092 5.451 -9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.303 4.194 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.084 5.476 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.710 6.496 -8.381 1.00 0.00 H new ATOM 461 N GLN A 33 -10.556 2.981 -10.314 1.00 0.00 N ATOM 462 CA GLN A 33 -10.071 1.944 -11.272 1.00 0.00 C ATOM 463 C GLN A 33 -9.273 0.872 -10.525 1.00 0.00 C ATOM 464 O GLN A 33 -9.321 -0.295 -10.858 1.00 0.00 O ATOM 465 CB GLN A 33 -9.171 2.695 -12.257 1.00 0.00 C ATOM 466 CG GLN A 33 -9.505 2.268 -13.689 1.00 0.00 C ATOM 467 CD GLN A 33 -8.213 2.128 -14.497 1.00 0.00 C ATOM 468 OE1 GLN A 33 -7.922 2.948 -15.346 1.00 0.00 O ATOM 469 NE2 GLN A 33 -7.422 1.116 -14.269 1.00 0.00 N ATOM 0 H GLN A 33 -10.260 3.935 -10.522 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.891 1.437 -11.781 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.311 3.770 -12.146 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.124 2.486 -12.040 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.045 1.321 -13.680 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.160 3.004 -14.155 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.666 0.428 -13.557 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.559 1.013 -14.803 1.00 0.00 H new ATOM 478 N ARG A 34 -8.544 1.262 -9.514 1.00 0.00 N ATOM 479 CA ARG A 34 -7.745 0.267 -8.739 1.00 0.00 C ATOM 480 C ARG A 34 -8.677 -0.722 -8.037 1.00 0.00 C ATOM 481 O ARG A 34 -8.476 -1.920 -8.086 1.00 0.00 O ATOM 482 CB ARG A 34 -6.968 1.091 -7.712 1.00 0.00 C ATOM 483 CG ARG A 34 -5.640 0.400 -7.401 1.00 0.00 C ATOM 484 CD ARG A 34 -5.825 -0.560 -6.221 1.00 0.00 C ATOM 485 NE ARG A 34 -4.601 -0.390 -5.389 1.00 0.00 N ATOM 486 CZ ARG A 34 -4.391 -1.179 -4.370 1.00 0.00 C ATOM 487 NH1 ARG A 34 -5.371 -1.474 -3.560 1.00 0.00 N ATOM 488 NH2 ARG A 34 -3.200 -1.672 -4.162 1.00 0.00 N ATOM 0 H ARG A 34 -8.467 2.226 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.081 -0.316 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.786 2.094 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.555 1.202 -6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.289 -0.147 -8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.879 1.143 -7.163 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.724 -0.319 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.930 -1.590 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.928 0.342 -5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.301 -1.088 -3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.207 -2.090 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.435 -1.441 -4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.035 -2.288 -3.366 1.00 0.00 H new ATOM 502 N GLN A 35 -9.699 -0.230 -7.387 1.00 0.00 N ATOM 503 CA GLN A 35 -10.650 -1.139 -6.679 1.00 0.00 C ATOM 504 C GLN A 35 -11.164 -2.219 -7.636 1.00 0.00 C ATOM 505 O GLN A 35 -11.116 -3.397 -7.339 1.00 0.00 O ATOM 506 CB GLN A 35 -11.799 -0.236 -6.226 1.00 0.00 C ATOM 507 CG GLN A 35 -11.499 0.318 -4.829 1.00 0.00 C ATOM 508 CD GLN A 35 -11.730 1.831 -4.817 1.00 0.00 C ATOM 509 OE1 GLN A 35 -10.848 2.589 -4.465 1.00 0.00 O ATOM 510 NE2 GLN A 35 -12.888 2.305 -5.190 1.00 0.00 N ATOM 0 H GLN A 35 -9.917 0.764 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.180 -1.654 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.931 0.584 -6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.733 -0.798 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.139 -0.164 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.469 0.095 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.628 1.669 -5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.052 3.312 -5.186 1.00 0.00 H new ATOM 519 N ARG A 36 -11.649 -1.825 -8.782 1.00 0.00 N ATOM 520 CA ARG A 36 -12.163 -2.830 -9.759 1.00 0.00 C ATOM 521 C ARG A 36 -10.997 -3.610 -10.371 1.00 0.00 C ATOM 522 O ARG A 36 -11.002 -4.826 -10.404 1.00 0.00 O ATOM 523 CB ARG A 36 -12.884 -2.012 -10.832 1.00 0.00 C ATOM 524 CG ARG A 36 -13.626 -2.959 -11.782 1.00 0.00 C ATOM 525 CD ARG A 36 -15.060 -2.462 -11.989 1.00 0.00 C ATOM 526 NE ARG A 36 -15.910 -3.676 -11.839 1.00 0.00 N ATOM 527 CZ ARG A 36 -16.927 -3.863 -12.634 1.00 0.00 C ATOM 528 NH1 ARG A 36 -17.869 -2.963 -12.710 1.00 0.00 N ATOM 529 NH2 ARG A 36 -17.003 -4.950 -13.352 1.00 0.00 N ATOM 0 H ARG A 36 -11.712 -0.853 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.826 -3.559 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.587 -1.321 -10.367 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.166 -1.409 -11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.107 -3.010 -12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.636 -3.968 -11.370 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.325 -1.701 -11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.184 -2.012 -12.974 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.697 -4.361 -11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.810 -2.114 -12.148 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.665 -3.109 -13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.267 -5.654 -13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.798 -5.096 -13.974 1.00 0.00 H new ATOM 543 N GLN A 37 -9.996 -2.921 -10.853 1.00 0.00 N ATOM 544 CA GLN A 37 -8.826 -3.626 -11.461 1.00 0.00 C ATOM 545 C GLN A 37 -8.192 -4.571 -10.437 1.00 0.00 C ATOM 546 O GLN A 37 -7.544 -5.536 -10.790 1.00 0.00 O ATOM 547 CB GLN A 37 -7.846 -2.517 -11.847 1.00 0.00 C ATOM 548 CG GLN A 37 -6.821 -3.067 -12.840 1.00 0.00 C ATOM 549 CD GLN A 37 -7.501 -3.318 -14.189 1.00 0.00 C ATOM 550 OE1 GLN A 37 -7.546 -4.437 -14.661 1.00 0.00 O ATOM 551 NE2 GLN A 37 -8.036 -2.316 -14.831 1.00 0.00 N ATOM 0 H GLN A 37 -9.937 -1.903 -10.853 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.111 -4.232 -12.321 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.384 -1.679 -12.290 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.341 -2.138 -10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.000 -2.360 -12.960 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.391 -3.993 -12.459 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.998 -1.377 -14.434 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.493 -2.472 -15.730 1.00 0.00 H new ATOM 560 N GLU A 38 -8.386 -4.307 -9.173 1.00 0.00 N ATOM 561 CA GLU A 38 -7.811 -5.191 -8.121 1.00 0.00 C ATOM 562 C GLU A 38 -8.602 -6.495 -8.079 1.00 0.00 C ATOM 563 O GLU A 38 -8.085 -7.549 -8.381 1.00 0.00 O ATOM 564 CB GLU A 38 -7.971 -4.420 -6.809 1.00 0.00 C ATOM 565 CG GLU A 38 -7.376 -5.238 -5.661 1.00 0.00 C ATOM 566 CD GLU A 38 -7.725 -4.574 -4.327 1.00 0.00 C ATOM 567 OE1 GLU A 38 -7.582 -3.366 -4.234 1.00 0.00 O ATOM 568 OE2 GLU A 38 -8.128 -5.286 -3.421 1.00 0.00 O ATOM 0 H GLU A 38 -8.921 -3.512 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.767 -5.442 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.471 -3.454 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.025 -4.220 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.765 -6.256 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.294 -5.308 -5.773 1.00 0.00 H new ATOM 575 N GLU A 39 -9.862 -6.428 -7.733 1.00 0.00 N ATOM 576 CA GLU A 39 -10.691 -7.670 -7.701 1.00 0.00 C ATOM 577 C GLU A 39 -10.524 -8.419 -9.027 1.00 0.00 C ATOM 578 O GLU A 39 -10.601 -9.631 -9.089 1.00 0.00 O ATOM 579 CB GLU A 39 -12.132 -7.180 -7.532 1.00 0.00 C ATOM 580 CG GLU A 39 -13.083 -8.379 -7.508 1.00 0.00 C ATOM 581 CD GLU A 39 -14.186 -8.137 -6.476 1.00 0.00 C ATOM 582 OE1 GLU A 39 -13.876 -7.616 -5.418 1.00 0.00 O ATOM 583 OE2 GLU A 39 -15.322 -8.477 -6.763 1.00 0.00 O ATOM 0 H GLU A 39 -10.351 -5.571 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.406 -8.353 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.227 -6.609 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.397 -6.509 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.521 -8.529 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.533 -9.287 -7.262 1.00 0.00 H new ATOM 590 N GLU A 40 -10.274 -7.692 -10.085 1.00 0.00 N ATOM 591 CA GLU A 40 -10.076 -8.335 -11.411 1.00 0.00 C ATOM 592 C GLU A 40 -8.615 -8.766 -11.561 1.00 0.00 C ATOM 593 O GLU A 40 -8.308 -9.703 -12.274 1.00 0.00 O ATOM 594 CB GLU A 40 -10.426 -7.252 -12.435 1.00 0.00 C ATOM 595 CG GLU A 40 -10.934 -7.908 -13.721 1.00 0.00 C ATOM 596 CD GLU A 40 -10.219 -7.296 -14.928 1.00 0.00 C ATOM 597 OE1 GLU A 40 -10.080 -6.084 -14.958 1.00 0.00 O ATOM 598 OE2 GLU A 40 -9.821 -8.050 -15.801 1.00 0.00 O ATOM 0 H GLU A 40 -10.199 -6.675 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.691 -9.226 -11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.187 -6.586 -12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.549 -6.641 -12.648 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.757 -8.983 -13.687 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.011 -7.765 -13.813 1.00 0.00 H new ATOM 605 N ALA A 41 -7.710 -8.101 -10.884 1.00 0.00 N ATOM 606 CA ALA A 41 -6.273 -8.497 -10.985 1.00 0.00 C ATOM 607 C ALA A 41 -5.984 -9.609 -9.977 1.00 0.00 C ATOM 608 O ALA A 41 -5.027 -10.348 -10.102 1.00 0.00 O ATOM 609 CB ALA A 41 -5.479 -7.238 -10.639 1.00 0.00 C ATOM 0 H ALA A 41 -7.903 -7.308 -10.272 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.010 -8.872 -11.974 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.412 -7.454 -10.693 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.725 -6.447 -11.347 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.733 -6.914 -9.630 1.00 0.00 H new ATOM 615 N ARG A 42 -6.816 -9.729 -8.980 1.00 0.00 N ATOM 616 CA ARG A 42 -6.623 -10.783 -7.952 1.00 0.00 C ATOM 617 C ARG A 42 -7.195 -12.106 -8.461 1.00 0.00 C ATOM 618 O ARG A 42 -6.637 -13.163 -8.240 1.00 0.00 O ATOM 619 CB ARG A 42 -7.406 -10.281 -6.738 1.00 0.00 C ATOM 620 CG ARG A 42 -6.497 -9.435 -5.843 1.00 0.00 C ATOM 621 CD ARG A 42 -5.949 -8.234 -6.622 1.00 0.00 C ATOM 622 NE ARG A 42 -4.893 -7.657 -5.744 1.00 0.00 N ATOM 623 CZ ARG A 42 -3.870 -7.040 -6.271 1.00 0.00 C ATOM 624 NH1 ARG A 42 -4.049 -6.212 -7.263 1.00 0.00 N ATOM 625 NH2 ARG A 42 -2.670 -7.253 -5.806 1.00 0.00 N ATOM 0 H ARG A 42 -7.631 -9.133 -8.834 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.574 -10.961 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.261 -9.689 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.801 -11.126 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.054 -9.089 -4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.672 -10.044 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.539 -8.541 -7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.733 -7.505 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.969 -7.744 -4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.988 -6.047 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.250 -5.730 -7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.531 -7.901 -5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.871 -6.771 -6.217 1.00 0.00 H new ATOM 639 N ARG A 43 -8.304 -12.050 -9.153 1.00 0.00 N ATOM 640 CA ARG A 43 -8.914 -13.300 -9.691 1.00 0.00 C ATOM 641 C ARG A 43 -8.109 -13.788 -10.902 1.00 0.00 C ATOM 642 O ARG A 43 -7.957 -14.973 -11.121 1.00 0.00 O ATOM 643 CB ARG A 43 -10.336 -12.901 -10.102 1.00 0.00 C ATOM 644 CG ARG A 43 -11.002 -14.045 -10.878 1.00 0.00 C ATOM 645 CD ARG A 43 -11.148 -15.270 -9.972 1.00 0.00 C ATOM 646 NE ARG A 43 -12.340 -14.985 -9.127 1.00 0.00 N ATOM 647 CZ ARG A 43 -13.211 -15.927 -8.887 1.00 0.00 C ATOM 648 NH1 ARG A 43 -14.195 -16.134 -9.718 1.00 0.00 N ATOM 649 NH2 ARG A 43 -13.094 -16.664 -7.816 1.00 0.00 N ATOM 0 H ARG A 43 -8.812 -11.192 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.921 -14.113 -8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.925 -12.661 -9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.306 -12.002 -10.718 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.981 -13.730 -11.240 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.405 -14.298 -11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.287 -16.179 -10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.257 -15.417 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.476 -14.053 -8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.284 -15.560 -10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.875 -16.870 -9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.323 -16.503 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.774 -17.401 -7.627 1.00 0.00 H new ATOM 663 N ALA A 44 -7.593 -12.879 -11.685 1.00 0.00 N ATOM 664 CA ALA A 44 -6.795 -13.285 -12.879 1.00 0.00 C ATOM 665 C ALA A 44 -5.465 -13.900 -12.434 1.00 0.00 C ATOM 666 O ALA A 44 -4.957 -14.816 -13.051 1.00 0.00 O ATOM 667 CB ALA A 44 -6.555 -11.992 -13.659 1.00 0.00 C ATOM 0 H ALA A 44 -7.689 -11.873 -11.550 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.307 -14.032 -13.485 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.972 -12.210 -14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.512 -11.557 -13.946 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.009 -11.286 -13.034 1.00 0.00 H new ATOM 673 N ALA A 45 -4.901 -13.403 -11.365 1.00 0.00 N ATOM 674 CA ALA A 45 -3.606 -13.959 -10.875 1.00 0.00 C ATOM 675 C ALA A 45 -3.846 -15.282 -10.142 1.00 0.00 C ATOM 676 O ALA A 45 -3.044 -16.192 -10.206 1.00 0.00 O ATOM 677 CB ALA A 45 -3.058 -12.904 -9.914 1.00 0.00 C ATOM 0 H ALA A 45 -5.281 -12.636 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.911 -14.167 -11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.103 -13.241 -9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.915 -11.965 -10.448 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.764 -12.753 -9.098 1.00 0.00 H new ATOM 683 N ALA A 46 -4.947 -15.390 -9.446 1.00 0.00 N ATOM 684 CA ALA A 46 -5.243 -16.654 -8.708 1.00 0.00 C ATOM 685 C ALA A 46 -5.432 -17.809 -9.694 1.00 0.00 C ATOM 686 O ALA A 46 -4.827 -18.855 -9.562 1.00 0.00 O ATOM 687 CB ALA A 46 -6.542 -16.378 -7.949 1.00 0.00 C ATOM 0 H ALA A 46 -5.653 -14.659 -9.356 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.433 -16.939 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.826 -17.263 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.394 -15.541 -7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.333 -16.133 -8.658 1.00 0.00 H new ATOM 693 N ALA A 47 -6.269 -17.627 -10.682 1.00 0.00 N ATOM 694 CA ALA A 47 -6.497 -18.715 -11.678 1.00 0.00 C ATOM 695 C ALA A 47 -5.207 -19.003 -12.450 1.00 0.00 C ATOM 696 O ALA A 47 -4.978 -20.107 -12.904 1.00 0.00 O ATOM 697 CB ALA A 47 -7.575 -18.173 -12.619 1.00 0.00 C ATOM 0 H ALA A 47 -6.804 -16.773 -10.842 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.801 -19.649 -11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.799 -18.918 -13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.478 -17.954 -12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.217 -17.261 -13.096 1.00 0.00 H new ATOM 703 N SER A 48 -4.362 -18.017 -12.599 1.00 0.00 N ATOM 704 CA SER A 48 -3.085 -18.232 -13.340 1.00 0.00 C ATOM 705 C SER A 48 -2.097 -19.018 -12.474 1.00 0.00 C ATOM 706 O SER A 48 -1.423 -19.914 -12.943 1.00 0.00 O ATOM 707 CB SER A 48 -2.550 -16.829 -13.623 1.00 0.00 C ATOM 708 OG SER A 48 -1.220 -16.923 -14.115 1.00 0.00 O ATOM 0 H SER A 48 -4.501 -17.073 -12.240 1.00 0.00 H new ATOM 0 HA SER A 48 -3.231 -18.805 -14.256 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.185 -16.326 -14.352 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.572 -16.229 -12.713 1.00 0.00 H new ATOM 0 HG SER A 48 -0.875 -16.024 -14.299 1.00 0.00 H new ATOM 714 N ALA A 49 -2.007 -18.687 -11.214 1.00 0.00 N ATOM 715 CA ALA A 49 -1.064 -19.413 -10.314 1.00 0.00 C ATOM 716 C ALA A 49 -1.571 -20.833 -10.050 1.00 0.00 C ATOM 717 O ALA A 49 -0.799 -21.758 -9.889 1.00 0.00 O ATOM 718 CB ALA A 49 -1.046 -18.601 -9.017 1.00 0.00 C ATOM 0 H ALA A 49 -2.546 -17.945 -10.768 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.069 -19.507 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.372 -19.073 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.701 -17.588 -9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.051 -18.563 -8.598 1.00 0.00 H new ATOM 724 N ALA A 50 -2.864 -21.010 -10.004 1.00 0.00 N ATOM 725 CA ALA A 50 -3.426 -22.371 -9.749 1.00 0.00 C ATOM 726 C ALA A 50 -3.336 -23.236 -11.012 1.00 0.00 C ATOM 727 O ALA A 50 -3.542 -24.433 -10.966 1.00 0.00 O ATOM 728 CB ALA A 50 -4.887 -22.130 -9.366 1.00 0.00 C ATOM 0 H ALA A 50 -3.557 -20.272 -10.132 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.880 -22.900 -8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.372 -23.085 -9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.931 -21.503 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.401 -21.630 -10.187 1.00 0.00 H new ATOM 734 N GLU A 51 -3.029 -22.643 -12.136 1.00 0.00 N ATOM 735 CA GLU A 51 -2.927 -23.439 -13.394 1.00 0.00 C ATOM 736 C GLU A 51 -1.485 -23.908 -13.607 1.00 0.00 C ATOM 737 O GLU A 51 -1.214 -25.088 -13.705 1.00 0.00 O ATOM 738 CB GLU A 51 -3.350 -22.477 -14.507 1.00 0.00 C ATOM 739 CG GLU A 51 -3.306 -23.199 -15.858 1.00 0.00 C ATOM 740 CD GLU A 51 -4.629 -22.988 -16.597 1.00 0.00 C ATOM 741 OE1 GLU A 51 -5.660 -23.006 -15.944 1.00 0.00 O ATOM 742 OE2 GLU A 51 -4.589 -22.812 -17.803 1.00 0.00 O ATOM 0 H GLU A 51 -2.845 -21.645 -12.237 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.551 -24.333 -13.370 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.356 -22.104 -14.316 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.687 -21.612 -14.524 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.479 -22.820 -16.458 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.128 -24.264 -15.707 1.00 0.00 H new ATOM 749 N ALA A 52 -0.558 -22.989 -13.677 1.00 0.00 N ATOM 750 CA ALA A 52 0.868 -23.377 -13.880 1.00 0.00 C ATOM 751 C ALA A 52 1.611 -23.412 -12.541 1.00 0.00 C ATOM 752 O ALA A 52 2.716 -23.912 -12.451 1.00 0.00 O ATOM 753 CB ALA A 52 1.447 -22.289 -14.785 1.00 0.00 C ATOM 0 H ALA A 52 -0.727 -21.986 -13.602 1.00 0.00 H new ATOM 0 HA ALA A 52 0.965 -24.370 -14.318 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.498 -22.501 -14.983 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.897 -22.268 -15.726 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.359 -21.321 -14.292 1.00 0.00 H new ATOM 759 N GLY A 53 1.019 -22.885 -11.501 1.00 0.00 N ATOM 760 CA GLY A 53 1.698 -22.888 -10.173 1.00 0.00 C ATOM 761 C GLY A 53 1.064 -23.951 -9.272 1.00 0.00 C ATOM 762 O GLY A 53 1.058 -23.826 -8.063 1.00 0.00 O ATOM 0 H GLY A 53 0.095 -22.453 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.762 -23.091 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.613 -21.906 -9.708 1.00 0.00 H new ATOM 882 N ASP A 63 18.316 -28.652 -18.238 1.00 0.00 N ATOM 883 CA ASP A 63 17.680 -27.368 -18.654 1.00 0.00 C ATOM 884 C ASP A 63 17.870 -27.149 -20.157 1.00 0.00 C ATOM 885 O ASP A 63 16.921 -27.146 -20.921 1.00 0.00 O ATOM 886 CB ASP A 63 18.408 -26.285 -17.855 1.00 0.00 C ATOM 887 CG ASP A 63 17.686 -24.948 -18.031 1.00 0.00 C ATOM 888 OD1 ASP A 63 17.315 -24.641 -19.153 1.00 0.00 O ATOM 889 OD2 ASP A 63 17.517 -24.255 -17.043 1.00 0.00 O ATOM 0 HA ASP A 63 16.607 -27.358 -18.465 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.440 -26.557 -16.800 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.440 -26.200 -18.194 1.00 0.00 H new ATOM 894 N ASP A 64 19.089 -26.977 -20.592 1.00 0.00 N ATOM 895 CA ASP A 64 19.334 -26.770 -22.043 1.00 0.00 C ATOM 896 C ASP A 64 19.218 -28.103 -22.768 1.00 0.00 C ATOM 897 O ASP A 64 18.847 -28.161 -23.923 1.00 0.00 O ATOM 898 CB ASP A 64 20.755 -26.216 -22.149 1.00 0.00 C ATOM 899 CG ASP A 64 21.746 -27.208 -21.533 1.00 0.00 C ATOM 900 OD1 ASP A 64 21.861 -27.223 -20.318 1.00 0.00 O ATOM 901 OD2 ASP A 64 22.373 -27.934 -22.286 1.00 0.00 O ATOM 0 H ASP A 64 19.923 -26.971 -20.004 1.00 0.00 H new ATOM 0 HA ASP A 64 18.614 -26.087 -22.494 1.00 0.00 H new ATOM 0 HB2 ASP A 64 21.008 -26.036 -23.194 1.00 0.00 H new ATOM 0 HB3 ASP A 64 20.820 -25.257 -21.636 1.00 0.00 H new ATOM 906 N ALA A 65 19.520 -29.181 -22.093 1.00 0.00 N ATOM 907 CA ALA A 65 19.404 -30.512 -22.746 1.00 0.00 C ATOM 908 C ALA A 65 17.948 -30.739 -23.141 1.00 0.00 C ATOM 909 O ALA A 65 17.649 -31.279 -24.187 1.00 0.00 O ATOM 910 CB ALA A 65 19.844 -31.529 -21.696 1.00 0.00 C ATOM 0 H ALA A 65 19.840 -29.195 -21.124 1.00 0.00 H new ATOM 0 HA ALA A 65 20.014 -30.595 -23.646 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.782 -32.534 -22.114 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.872 -31.323 -21.398 1.00 0.00 H new ATOM 0 HB3 ALA A 65 19.193 -31.458 -20.825 1.00 0.00 H new ATOM 916 N LEU A 66 17.038 -30.300 -22.312 1.00 0.00 N ATOM 917 CA LEU A 66 15.595 -30.457 -22.636 1.00 0.00 C ATOM 918 C LEU A 66 15.247 -29.512 -23.786 1.00 0.00 C ATOM 919 O LEU A 66 14.390 -29.793 -24.599 1.00 0.00 O ATOM 920 CB LEU A 66 14.849 -30.058 -21.362 1.00 0.00 C ATOM 921 CG LEU A 66 13.341 -30.202 -21.582 1.00 0.00 C ATOM 922 CD1 LEU A 66 12.927 -31.656 -21.353 1.00 0.00 C ATOM 923 CD2 LEU A 66 12.595 -29.299 -20.597 1.00 0.00 C ATOM 0 H LEU A 66 17.235 -29.839 -21.424 1.00 0.00 H new ATOM 0 HA LEU A 66 15.333 -31.470 -22.943 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.167 -30.687 -20.531 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.091 -29.029 -21.094 1.00 0.00 H new ATOM 0 HG LEU A 66 13.094 -29.911 -22.603 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.853 -31.758 -21.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.459 -32.300 -22.053 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.174 -31.948 -20.332 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.521 -29.400 -20.752 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.843 -29.591 -19.576 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.889 -28.262 -20.760 1.00 0.00 H new ATOM 935 N LEU A 67 15.926 -28.397 -23.864 1.00 0.00 N ATOM 936 CA LEU A 67 15.658 -27.432 -24.967 1.00 0.00 C ATOM 937 C LEU A 67 16.281 -27.948 -26.269 1.00 0.00 C ATOM 938 O LEU A 67 15.718 -27.812 -27.340 1.00 0.00 O ATOM 939 CB LEU A 67 16.338 -26.134 -24.526 1.00 0.00 C ATOM 940 CG LEU A 67 15.643 -24.940 -25.184 1.00 0.00 C ATOM 941 CD1 LEU A 67 16.175 -23.642 -24.575 1.00 0.00 C ATOM 942 CD2 LEU A 67 15.930 -24.951 -26.687 1.00 0.00 C ATOM 0 H LEU A 67 16.655 -28.114 -23.209 1.00 0.00 H new ATOM 0 HA LEU A 67 14.593 -27.291 -25.152 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.295 -26.040 -23.441 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.392 -26.152 -24.803 1.00 0.00 H new ATOM 0 HG LEU A 67 14.568 -25.007 -25.017 1.00 0.00 H new ATOM 0 HD11 LEU A 67 15.680 -22.791 -25.043 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.975 -23.634 -23.504 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.250 -23.575 -24.744 1.00 0.00 H new ATOM 0 HD21 LEU A 67 15.436 -24.101 -27.158 1.00 0.00 H new ATOM 0 HD22 LEU A 67 17.005 -24.883 -26.853 1.00 0.00 H new ATOM 0 HD23 LEU A 67 15.554 -25.877 -27.123 1.00 0.00 H new ATOM 954 N LYS A 68 17.442 -28.540 -26.180 1.00 0.00 N ATOM 955 CA LYS A 68 18.118 -29.067 -27.401 1.00 0.00 C ATOM 956 C LYS A 68 17.583 -30.458 -27.752 1.00 0.00 C ATOM 957 O LYS A 68 17.134 -30.694 -28.856 1.00 0.00 O ATOM 958 CB LYS A 68 19.602 -29.143 -27.030 1.00 0.00 C ATOM 959 CG LYS A 68 20.370 -28.030 -27.749 1.00 0.00 C ATOM 960 CD LYS A 68 20.127 -26.698 -27.036 1.00 0.00 C ATOM 961 CE LYS A 68 21.217 -25.700 -27.433 1.00 0.00 C ATOM 962 NZ LYS A 68 20.967 -24.501 -26.587 1.00 0.00 N ATOM 0 H LYS A 68 17.954 -28.682 -25.309 1.00 0.00 H new ATOM 0 HA LYS A 68 17.944 -28.434 -28.271 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.723 -29.044 -25.951 1.00 0.00 H new ATOM 0 HB3 LYS A 68 20.007 -30.116 -27.308 1.00 0.00 H new ATOM 0 HG2 LYS A 68 21.436 -28.259 -27.761 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.046 -27.963 -28.788 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.145 -26.305 -27.301 1.00 0.00 H new ATOM 0 HD3 LYS A 68 20.130 -26.846 -25.956 1.00 0.00 H new ATOM 0 HE2 LYS A 68 22.211 -26.109 -27.254 1.00 0.00 H new ATOM 0 HE3 LYS A 68 21.160 -25.454 -28.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.676 -23.771 -26.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.016 -24.129 -26.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 21.035 -24.764 -25.583 1.00 0.00 H new ATOM 976 N MET A 69 17.633 -31.383 -26.828 1.00 0.00 N ATOM 977 CA MET A 69 17.129 -32.759 -27.123 1.00 0.00 C ATOM 978 C MET A 69 15.694 -32.705 -27.662 1.00 0.00 C ATOM 979 O MET A 69 15.348 -33.397 -28.601 1.00 0.00 O ATOM 980 CB MET A 69 17.172 -33.497 -25.783 1.00 0.00 C ATOM 981 CG MET A 69 17.234 -35.005 -26.033 1.00 0.00 C ATOM 982 SD MET A 69 15.575 -35.625 -26.409 1.00 0.00 S ATOM 983 CE MET A 69 16.082 -37.208 -27.125 1.00 0.00 C ATOM 0 H MET A 69 17.999 -31.247 -25.886 1.00 0.00 H new ATOM 0 HA MET A 69 17.730 -33.258 -27.883 1.00 0.00 H new ATOM 0 HB2 MET A 69 18.040 -33.177 -25.207 1.00 0.00 H new ATOM 0 HB3 MET A 69 16.290 -33.252 -25.192 1.00 0.00 H new ATOM 0 HG2 MET A 69 17.910 -35.219 -26.861 1.00 0.00 H new ATOM 0 HG3 MET A 69 17.633 -35.514 -25.155 1.00 0.00 H new ATOM 0 HE1 MET A 69 15.199 -37.768 -27.433 1.00 0.00 H new ATOM 0 HE2 MET A 69 16.718 -37.028 -27.992 1.00 0.00 H new ATOM 0 HE3 MET A 69 16.635 -37.783 -26.382 1.00 0.00 H new ATOM 993 N THR A 70 14.858 -31.891 -27.072 1.00 0.00 N ATOM 994 CA THR A 70 13.445 -31.796 -27.548 1.00 0.00 C ATOM 995 C THR A 70 13.388 -31.161 -28.941 1.00 0.00 C ATOM 996 O THR A 70 12.650 -31.604 -29.799 1.00 0.00 O ATOM 997 CB THR A 70 12.734 -30.912 -26.520 1.00 0.00 C ATOM 998 OG1 THR A 70 12.792 -31.537 -25.245 1.00 0.00 O ATOM 999 CG2 THR A 70 11.272 -30.718 -26.927 1.00 0.00 C ATOM 0 H THR A 70 15.091 -31.289 -26.283 1.00 0.00 H new ATOM 0 HA THR A 70 12.976 -32.776 -27.633 1.00 0.00 H new ATOM 0 HB THR A 70 13.226 -29.940 -26.476 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.458 -31.083 -24.688 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.770 -30.088 -26.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.227 -30.240 -27.906 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.776 -31.687 -26.973 1.00 0.00 H new ATOM 1007 N ILE A 71 14.156 -30.130 -29.174 1.00 0.00 N ATOM 1008 CA ILE A 71 14.131 -29.481 -30.516 1.00 0.00 C ATOM 1009 C ILE A 71 15.062 -30.219 -31.487 1.00 0.00 C ATOM 1010 O ILE A 71 15.074 -29.949 -32.671 1.00 0.00 O ATOM 1011 CB ILE A 71 14.597 -28.041 -30.268 1.00 0.00 C ATOM 1012 CG1 ILE A 71 13.972 -27.128 -31.322 1.00 0.00 C ATOM 1013 CG2 ILE A 71 16.125 -27.947 -30.349 1.00 0.00 C ATOM 1014 CD1 ILE A 71 12.477 -26.971 -31.034 1.00 0.00 C ATOM 0 H ILE A 71 14.795 -29.712 -28.498 1.00 0.00 H new ATOM 0 HA ILE A 71 13.142 -29.505 -30.974 1.00 0.00 H new ATOM 0 HB ILE A 71 14.284 -27.732 -29.271 1.00 0.00 H new ATOM 0 HG12 ILE A 71 14.460 -26.154 -31.311 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.120 -27.548 -32.317 1.00 0.00 H new ATOM 0 HG21 ILE A 71 16.436 -26.918 -30.170 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.570 -28.597 -29.595 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.457 -28.260 -31.339 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.028 -26.320 -31.784 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.996 -27.948 -31.067 1.00 0.00 H new ATOM 0 HD13 ILE A 71 12.341 -26.533 -30.045 1.00 0.00 H new ATOM 1026 N SER A 72 15.838 -31.148 -30.995 1.00 0.00 N ATOM 1027 CA SER A 72 16.761 -31.899 -31.891 1.00 0.00 C ATOM 1028 C SER A 72 15.994 -33.003 -32.622 1.00 0.00 C ATOM 1029 O SER A 72 16.084 -33.143 -33.826 1.00 0.00 O ATOM 1030 CB SER A 72 17.817 -32.500 -30.963 1.00 0.00 C ATOM 1031 OG SER A 72 18.747 -33.251 -31.734 1.00 0.00 O ATOM 0 H SER A 72 15.872 -31.418 -30.012 1.00 0.00 H new ATOM 0 HA SER A 72 17.210 -31.262 -32.653 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.333 -31.709 -30.419 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.342 -33.140 -30.219 1.00 0.00 H new ATOM 0 HG SER A 72 19.426 -33.637 -31.142 1.00 0.00 H new ATOM 1037 N GLN A 73 15.236 -33.785 -31.901 1.00 0.00 N ATOM 1038 CA GLN A 73 14.457 -34.879 -32.552 1.00 0.00 C ATOM 1039 C GLN A 73 13.164 -34.320 -33.154 1.00 0.00 C ATOM 1040 O GLN A 73 12.577 -34.910 -34.041 1.00 0.00 O ATOM 1041 CB GLN A 73 14.143 -35.866 -31.427 1.00 0.00 C ATOM 1042 CG GLN A 73 15.447 -36.440 -30.868 1.00 0.00 C ATOM 1043 CD GLN A 73 15.288 -37.944 -30.636 1.00 0.00 C ATOM 1044 OE1 GLN A 73 16.170 -38.716 -30.959 1.00 0.00 O ATOM 1045 NE2 GLN A 73 14.195 -38.395 -30.087 1.00 0.00 N ATOM 0 H GLN A 73 15.122 -33.714 -30.890 1.00 0.00 H new ATOM 0 HA GLN A 73 15.008 -35.351 -33.365 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.586 -35.365 -30.635 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.511 -36.671 -31.802 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.266 -36.254 -31.563 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.704 -35.943 -29.933 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.455 -37.747 -29.816 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.079 -39.396 -29.928 1.00 0.00 H new ATOM 1054 N GLN A 74 12.714 -33.188 -32.679 1.00 0.00 N ATOM 1055 CA GLN A 74 11.459 -32.593 -33.222 1.00 0.00 C ATOM 1056 C GLN A 74 11.761 -31.760 -34.472 1.00 0.00 C ATOM 1057 O GLN A 74 11.053 -31.827 -35.456 1.00 0.00 O ATOM 1058 CB GLN A 74 10.928 -31.702 -32.098 1.00 0.00 C ATOM 1059 CG GLN A 74 9.517 -31.224 -32.449 1.00 0.00 C ATOM 1060 CD GLN A 74 8.561 -32.419 -32.461 1.00 0.00 C ATOM 1061 OE1 GLN A 74 7.853 -32.634 -33.425 1.00 0.00 O ATOM 1062 NE2 GLN A 74 8.511 -33.209 -31.424 1.00 0.00 N ATOM 0 H GLN A 74 13.163 -32.650 -31.938 1.00 0.00 H new ATOM 0 HA GLN A 74 10.736 -33.353 -33.518 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.913 -32.254 -31.158 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.588 -30.847 -31.955 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.181 -30.484 -31.723 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.519 -30.736 -33.424 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.106 -33.028 -30.615 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.877 -34.008 -31.422 1.00 0.00 H new ATOM 1203 N LEU A 84 14.858 -19.915 -43.761 1.00 0.00 N ATOM 1204 CA LEU A 84 15.699 -18.712 -44.037 1.00 0.00 C ATOM 1205 C LEU A 84 15.816 -17.847 -42.780 1.00 0.00 C ATOM 1206 O LEU A 84 16.792 -17.151 -42.582 1.00 0.00 O ATOM 1207 CB LEU A 84 14.958 -17.954 -45.140 1.00 0.00 C ATOM 1208 CG LEU A 84 15.241 -18.612 -46.492 1.00 0.00 C ATOM 1209 CD1 LEU A 84 14.226 -18.117 -47.522 1.00 0.00 C ATOM 1210 CD2 LEU A 84 16.654 -18.244 -46.950 1.00 0.00 C ATOM 0 HA LEU A 84 16.713 -18.979 -44.335 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.886 -17.956 -44.940 1.00 0.00 H new ATOM 0 HB3 LEU A 84 15.277 -16.912 -45.157 1.00 0.00 H new ATOM 0 HG LEU A 84 15.160 -19.695 -46.395 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.427 -18.585 -48.485 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.219 -18.377 -47.195 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.307 -17.035 -47.621 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.858 -18.712 -47.913 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.734 -17.161 -47.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.378 -18.596 -46.215 1.00 0.00 H new ATOM 1222 N SER A 85 14.825 -17.886 -41.929 1.00 0.00 N ATOM 1223 CA SER A 85 14.877 -17.065 -40.683 1.00 0.00 C ATOM 1224 C SER A 85 15.984 -17.574 -39.756 1.00 0.00 C ATOM 1225 O SER A 85 16.561 -16.823 -38.993 1.00 0.00 O ATOM 1226 CB SER A 85 13.506 -17.247 -40.030 1.00 0.00 C ATOM 1227 OG SER A 85 13.381 -18.586 -39.568 1.00 0.00 O ATOM 0 H SER A 85 13.983 -18.450 -42.042 1.00 0.00 H new ATOM 0 HA SER A 85 15.095 -16.017 -40.890 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.391 -16.551 -39.199 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.716 -17.022 -40.747 1.00 0.00 H new ATOM 0 HG SER A 85 12.504 -18.706 -39.147 1.00 0.00 H new ATOM 1233 N SER A 86 16.282 -18.844 -39.815 1.00 0.00 N ATOM 1234 CA SER A 86 17.352 -19.402 -38.937 1.00 0.00 C ATOM 1235 C SER A 86 18.655 -19.563 -39.724 1.00 0.00 C ATOM 1236 O SER A 86 19.407 -20.495 -39.516 1.00 0.00 O ATOM 1237 CB SER A 86 16.825 -20.764 -38.489 1.00 0.00 C ATOM 1238 OG SER A 86 17.755 -21.355 -37.590 1.00 0.00 O ATOM 0 H SER A 86 15.831 -19.519 -40.433 1.00 0.00 H new ATOM 0 HA SER A 86 17.572 -18.751 -38.091 1.00 0.00 H new ATOM 0 HB2 SER A 86 15.855 -20.650 -38.004 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.675 -21.411 -39.353 1.00 0.00 H new ATOM 0 HG SER A 86 18.639 -21.392 -38.011 1.00 0.00 H new ATOM 1244 N MET A 87 18.927 -18.659 -40.629 1.00 0.00 N ATOM 1245 CA MET A 87 20.182 -18.757 -41.431 1.00 0.00 C ATOM 1246 C MET A 87 21.044 -17.511 -41.217 1.00 0.00 C ATOM 1247 O MET A 87 20.573 -16.395 -41.314 1.00 0.00 O ATOM 1248 CB MET A 87 19.718 -18.842 -42.885 1.00 0.00 C ATOM 1249 CG MET A 87 19.502 -20.307 -43.268 1.00 0.00 C ATOM 1250 SD MET A 87 19.465 -20.459 -45.071 1.00 0.00 S ATOM 1251 CE MET A 87 19.680 -22.253 -45.154 1.00 0.00 C ATOM 0 H MET A 87 18.335 -17.858 -40.847 1.00 0.00 H new ATOM 0 HA MET A 87 20.788 -19.617 -41.145 1.00 0.00 H new ATOM 0 HB2 MET A 87 18.793 -18.281 -43.016 1.00 0.00 H new ATOM 0 HB3 MET A 87 20.461 -18.389 -43.542 1.00 0.00 H new ATOM 0 HG2 MET A 87 20.301 -20.923 -42.857 1.00 0.00 H new ATOM 0 HG3 MET A 87 18.567 -20.671 -42.842 1.00 0.00 H new ATOM 0 HE1 MET A 87 19.686 -22.571 -46.197 1.00 0.00 H new ATOM 0 HE2 MET A 87 20.625 -22.528 -44.685 1.00 0.00 H new ATOM 0 HE3 MET A 87 18.859 -22.742 -44.631 1.00 0.00 H new ATOM 1261 N THR A 88 22.304 -17.694 -40.927 1.00 0.00 N ATOM 1262 CA THR A 88 23.201 -16.519 -40.707 1.00 0.00 C ATOM 1263 C THR A 88 23.489 -15.820 -42.039 1.00 0.00 C ATOM 1264 O THR A 88 23.089 -16.282 -43.091 1.00 0.00 O ATOM 1265 CB THR A 88 24.490 -17.100 -40.122 1.00 0.00 C ATOM 1266 OG1 THR A 88 25.089 -17.970 -41.074 1.00 0.00 O ATOM 1267 CG2 THR A 88 24.173 -17.879 -38.845 1.00 0.00 C ATOM 0 H THR A 88 22.752 -18.605 -40.833 1.00 0.00 H new ATOM 0 HA THR A 88 22.752 -15.779 -40.045 1.00 0.00 H new ATOM 0 HB THR A 88 25.178 -16.288 -39.885 1.00 0.00 H new ATOM 0 HG1 THR A 88 25.288 -18.831 -40.651 1.00 0.00 H new ATOM 0 HG21 THR A 88 25.094 -18.291 -38.432 1.00 0.00 H new ATOM 0 HG22 THR A 88 23.715 -17.211 -38.116 1.00 0.00 H new ATOM 0 HG23 THR A 88 23.484 -18.691 -39.076 1.00 0.00 H new ATOM 1275 N GLU A 89 24.180 -14.712 -42.000 1.00 0.00 N ATOM 1276 CA GLU A 89 24.496 -13.983 -43.264 1.00 0.00 C ATOM 1277 C GLU A 89 25.266 -14.896 -44.222 1.00 0.00 C ATOM 1278 O GLU A 89 25.198 -14.743 -45.427 1.00 0.00 O ATOM 1279 CB GLU A 89 25.361 -12.791 -42.838 1.00 0.00 C ATOM 1280 CG GLU A 89 26.623 -13.290 -42.130 1.00 0.00 C ATOM 1281 CD GLU A 89 27.564 -12.111 -41.876 1.00 0.00 C ATOM 1282 OE1 GLU A 89 27.091 -11.096 -41.391 1.00 0.00 O ATOM 1283 OE2 GLU A 89 28.741 -12.242 -42.171 1.00 0.00 O ATOM 0 H GLU A 89 24.539 -14.280 -41.149 1.00 0.00 H new ATOM 0 HA GLU A 89 23.597 -13.660 -43.788 1.00 0.00 H new ATOM 0 HB2 GLU A 89 25.634 -12.198 -43.711 1.00 0.00 H new ATOM 0 HB3 GLU A 89 24.795 -12.138 -42.174 1.00 0.00 H new ATOM 0 HG2 GLU A 89 26.359 -13.768 -41.187 1.00 0.00 H new ATOM 0 HG3 GLU A 89 27.122 -14.043 -42.740 1.00 0.00 H new ATOM 1290 N GLU A 90 25.992 -15.848 -43.699 1.00 0.00 N ATOM 1291 CA GLU A 90 26.758 -16.774 -44.583 1.00 0.00 C ATOM 1292 C GLU A 90 25.855 -17.918 -45.052 1.00 0.00 C ATOM 1293 O GLU A 90 25.958 -18.381 -46.171 1.00 0.00 O ATOM 1294 CB GLU A 90 27.898 -17.314 -43.719 1.00 0.00 C ATOM 1295 CG GLU A 90 28.770 -16.154 -43.226 1.00 0.00 C ATOM 1296 CD GLU A 90 28.702 -16.071 -41.699 1.00 0.00 C ATOM 1297 OE1 GLU A 90 27.604 -15.954 -41.180 1.00 0.00 O ATOM 1298 OE2 GLU A 90 29.749 -16.126 -41.075 1.00 0.00 O ATOM 0 H GLU A 90 26.088 -16.024 -42.699 1.00 0.00 H new ATOM 0 HA GLU A 90 27.133 -16.272 -45.475 1.00 0.00 H new ATOM 0 HB2 GLU A 90 27.493 -17.864 -42.869 1.00 0.00 H new ATOM 0 HB3 GLU A 90 28.502 -18.016 -44.294 1.00 0.00 H new ATOM 0 HG2 GLU A 90 29.802 -16.300 -43.546 1.00 0.00 H new ATOM 0 HG3 GLU A 90 28.429 -15.217 -43.666 1.00 0.00 H new ATOM 1305 N GLU A 91 24.968 -18.376 -44.206 1.00 0.00 N ATOM 1306 CA GLU A 91 24.055 -19.490 -44.607 1.00 0.00 C ATOM 1307 C GLU A 91 23.299 -19.109 -45.883 1.00 0.00 C ATOM 1308 O GLU A 91 23.444 -19.740 -46.914 1.00 0.00 O ATOM 1309 CB GLU A 91 23.083 -19.658 -43.436 1.00 0.00 C ATOM 1310 CG GLU A 91 23.343 -20.996 -42.732 1.00 0.00 C ATOM 1311 CD GLU A 91 23.865 -20.741 -41.317 1.00 0.00 C ATOM 1312 OE1 GLU A 91 25.046 -20.461 -41.185 1.00 0.00 O ATOM 1313 OE2 GLU A 91 23.078 -20.831 -40.391 1.00 0.00 O ATOM 0 H GLU A 91 24.836 -18.028 -43.256 1.00 0.00 H new ATOM 0 HA GLU A 91 24.596 -20.413 -44.816 1.00 0.00 H new ATOM 0 HB2 GLU A 91 23.204 -18.836 -42.730 1.00 0.00 H new ATOM 0 HB3 GLU A 91 22.055 -19.620 -43.797 1.00 0.00 H new ATOM 0 HG2 GLU A 91 22.424 -21.581 -42.691 1.00 0.00 H new ATOM 0 HG3 GLU A 91 24.068 -21.581 -43.298 1.00 0.00 H new ATOM 1320 N GLN A 92 22.504 -18.073 -45.826 1.00 0.00 N ATOM 1321 CA GLN A 92 21.752 -17.645 -47.043 1.00 0.00 C ATOM 1322 C GLN A 92 22.743 -17.314 -48.161 1.00 0.00 C ATOM 1323 O GLN A 92 22.451 -17.469 -49.332 1.00 0.00 O ATOM 1324 CB GLN A 92 20.978 -16.395 -46.622 1.00 0.00 C ATOM 1325 CG GLN A 92 19.988 -16.755 -45.512 1.00 0.00 C ATOM 1326 CD GLN A 92 18.821 -15.767 -45.528 1.00 0.00 C ATOM 1327 OE1 GLN A 92 18.311 -15.427 -46.578 1.00 0.00 O ATOM 1328 NE2 GLN A 92 18.373 -15.287 -44.400 1.00 0.00 N ATOM 0 H GLN A 92 22.343 -17.507 -44.993 1.00 0.00 H new ATOM 0 HA GLN A 92 21.083 -18.420 -47.416 1.00 0.00 H new ATOM 0 HB2 GLN A 92 21.669 -15.628 -46.273 1.00 0.00 H new ATOM 0 HB3 GLN A 92 20.446 -15.979 -47.477 1.00 0.00 H new ATOM 0 HG2 GLN A 92 19.620 -17.771 -45.654 1.00 0.00 H new ATOM 0 HG3 GLN A 92 20.487 -16.729 -44.543 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.801 -15.572 -43.519 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.595 -14.627 -44.400 1.00 0.00 H new ATOM 1337 N ILE A 93 23.918 -16.869 -47.802 1.00 0.00 N ATOM 1338 CA ILE A 93 24.941 -16.537 -48.836 1.00 0.00 C ATOM 1339 C ILE A 93 25.355 -17.816 -49.570 1.00 0.00 C ATOM 1340 O ILE A 93 25.413 -17.854 -50.782 1.00 0.00 O ATOM 1341 CB ILE A 93 26.113 -15.924 -48.050 1.00 0.00 C ATOM 1342 CG1 ILE A 93 26.126 -14.408 -48.279 1.00 0.00 C ATOM 1343 CG2 ILE A 93 27.449 -16.523 -48.512 1.00 0.00 C ATOM 1344 CD1 ILE A 93 27.299 -13.781 -47.524 1.00 0.00 C ATOM 0 H ILE A 93 24.213 -16.721 -46.837 1.00 0.00 H new ATOM 0 HA ILE A 93 24.578 -15.846 -49.596 1.00 0.00 H new ATOM 0 HB ILE A 93 25.984 -16.145 -46.990 1.00 0.00 H new ATOM 0 HG12 ILE A 93 26.210 -14.192 -49.344 1.00 0.00 H new ATOM 0 HG13 ILE A 93 25.187 -13.971 -47.939 1.00 0.00 H new ATOM 0 HG21 ILE A 93 28.264 -16.076 -47.943 1.00 0.00 H new ATOM 0 HG22 ILE A 93 27.441 -17.601 -48.348 1.00 0.00 H new ATOM 0 HG23 ILE A 93 27.592 -16.319 -49.573 1.00 0.00 H new ATOM 0 HD11 ILE A 93 27.304 -12.704 -47.690 1.00 0.00 H new ATOM 0 HD12 ILE A 93 27.196 -13.984 -46.458 1.00 0.00 H new ATOM 0 HD13 ILE A 93 28.234 -14.208 -47.885 1.00 0.00 H new ATOM 1356 N ALA A 94 25.635 -18.866 -48.843 1.00 0.00 N ATOM 1357 CA ALA A 94 26.033 -20.144 -49.502 1.00 0.00 C ATOM 1358 C ALA A 94 24.921 -20.603 -50.448 1.00 0.00 C ATOM 1359 O ALA A 94 25.157 -21.321 -51.398 1.00 0.00 O ATOM 1360 CB ALA A 94 26.216 -21.145 -48.361 1.00 0.00 C ATOM 0 H ALA A 94 25.605 -18.894 -47.824 1.00 0.00 H new ATOM 0 HA ALA A 94 26.942 -20.042 -50.095 1.00 0.00 H new ATOM 0 HB1 ALA A 94 26.510 -22.112 -48.769 1.00 0.00 H new ATOM 0 HB2 ALA A 94 26.991 -20.786 -47.683 1.00 0.00 H new ATOM 0 HB3 ALA A 94 25.278 -21.251 -47.816 1.00 0.00 H new ATOM 1366 N TYR A 95 23.709 -20.184 -50.194 1.00 0.00 N ATOM 1367 CA TYR A 95 22.575 -20.584 -51.076 1.00 0.00 C ATOM 1368 C TYR A 95 22.563 -19.719 -52.341 1.00 0.00 C ATOM 1369 O TYR A 95 22.399 -20.213 -53.439 1.00 0.00 O ATOM 1370 CB TYR A 95 21.318 -20.328 -50.240 1.00 0.00 C ATOM 1371 CG TYR A 95 20.357 -21.480 -50.405 1.00 0.00 C ATOM 1372 CD1 TYR A 95 20.654 -22.725 -49.840 1.00 0.00 C ATOM 1373 CD2 TYR A 95 19.168 -21.302 -51.122 1.00 0.00 C ATOM 1374 CE1 TYR A 95 19.761 -23.794 -49.993 1.00 0.00 C ATOM 1375 CE2 TYR A 95 18.276 -22.369 -51.275 1.00 0.00 C ATOM 1376 CZ TYR A 95 18.573 -23.616 -50.711 1.00 0.00 C ATOM 1377 OH TYR A 95 17.693 -24.669 -50.860 1.00 0.00 O ATOM 0 H TYR A 95 23.456 -19.581 -49.412 1.00 0.00 H new ATOM 0 HA TYR A 95 22.646 -21.622 -51.400 1.00 0.00 H new ATOM 0 HB2 TYR A 95 21.585 -20.212 -49.190 1.00 0.00 H new ATOM 0 HB3 TYR A 95 20.844 -19.398 -50.553 1.00 0.00 H new ATOM 0 HD1 TYR A 95 21.571 -22.862 -49.286 1.00 0.00 H new ATOM 0 HD2 TYR A 95 18.939 -20.341 -51.557 1.00 0.00 H new ATOM 0 HE1 TYR A 95 19.990 -24.755 -49.557 1.00 0.00 H new ATOM 0 HE2 TYR A 95 17.359 -22.231 -51.828 1.00 0.00 H new ATOM 0 HH TYR A 95 16.918 -24.376 -51.384 1.00 0.00 H new ATOM 1387 N ALA A 96 22.732 -18.433 -52.190 1.00 0.00 N ATOM 1388 CA ALA A 96 22.727 -17.530 -53.379 1.00 0.00 C ATOM 1389 C ALA A 96 24.047 -17.652 -54.147 1.00 0.00 C ATOM 1390 O ALA A 96 24.093 -17.474 -55.349 1.00 0.00 O ATOM 1391 CB ALA A 96 22.571 -16.120 -52.806 1.00 0.00 C ATOM 0 H ALA A 96 22.874 -17.967 -51.294 1.00 0.00 H new ATOM 0 HA ALA A 96 21.929 -17.778 -54.079 1.00 0.00 H new ATOM 0 HB1 ALA A 96 22.559 -15.396 -53.620 1.00 0.00 H new ATOM 0 HB2 ALA A 96 21.637 -16.055 -52.248 1.00 0.00 H new ATOM 0 HB3 ALA A 96 23.407 -15.903 -52.140 1.00 0.00 H new ATOM 1397 N MET A 97 25.118 -17.960 -53.466 1.00 0.00 N ATOM 1398 CA MET A 97 26.428 -18.100 -54.158 1.00 0.00 C ATOM 1399 C MET A 97 26.508 -19.466 -54.838 1.00 0.00 C ATOM 1400 O MET A 97 27.243 -19.655 -55.788 1.00 0.00 O ATOM 1401 CB MET A 97 27.480 -17.986 -53.053 1.00 0.00 C ATOM 1402 CG MET A 97 28.715 -17.261 -53.594 1.00 0.00 C ATOM 1403 SD MET A 97 30.211 -18.009 -52.902 1.00 0.00 S ATOM 1404 CE MET A 97 29.802 -17.760 -51.157 1.00 0.00 C ATOM 0 H MET A 97 25.140 -18.121 -52.459 1.00 0.00 H new ATOM 0 HA MET A 97 26.574 -17.345 -54.931 1.00 0.00 H new ATOM 0 HB2 MET A 97 27.070 -17.443 -52.202 1.00 0.00 H new ATOM 0 HB3 MET A 97 27.756 -18.978 -52.695 1.00 0.00 H new ATOM 0 HG2 MET A 97 28.736 -17.321 -54.682 1.00 0.00 H new ATOM 0 HG3 MET A 97 28.671 -16.203 -53.334 1.00 0.00 H new ATOM 0 HE1 MET A 97 30.714 -17.798 -50.561 1.00 0.00 H new ATOM 0 HE2 MET A 97 29.326 -16.788 -51.030 1.00 0.00 H new ATOM 0 HE3 MET A 97 29.120 -18.544 -50.828 1.00 0.00 H new ATOM 1414 N GLN A 98 25.756 -20.419 -54.357 1.00 0.00 N ATOM 1415 CA GLN A 98 25.785 -21.773 -54.974 1.00 0.00 C ATOM 1416 C GLN A 98 24.921 -21.793 -56.238 1.00 0.00 C ATOM 1417 O GLN A 98 25.169 -22.547 -57.160 1.00 0.00 O ATOM 1418 CB GLN A 98 25.205 -22.710 -53.914 1.00 0.00 C ATOM 1419 CG GLN A 98 26.329 -23.205 -53.000 1.00 0.00 C ATOM 1420 CD GLN A 98 26.893 -24.516 -53.549 1.00 0.00 C ATOM 1421 OE1 GLN A 98 26.151 -25.390 -53.952 1.00 0.00 O ATOM 1422 NE2 GLN A 98 28.186 -24.692 -53.583 1.00 0.00 N ATOM 0 H GLN A 98 25.123 -20.317 -53.563 1.00 0.00 H new ATOM 0 HA GLN A 98 26.791 -22.070 -55.269 1.00 0.00 H new ATOM 0 HB2 GLN A 98 24.448 -22.189 -53.328 1.00 0.00 H new ATOM 0 HB3 GLN A 98 24.711 -23.556 -54.392 1.00 0.00 H new ATOM 0 HG2 GLN A 98 27.118 -22.455 -52.937 1.00 0.00 H new ATOM 0 HG3 GLN A 98 25.951 -23.355 -51.989 1.00 0.00 H new ATOM 0 HE21 GLN A 98 28.810 -23.959 -53.245 1.00 0.00 H new ATOM 0 HE22 GLN A 98 28.573 -25.563 -53.948 1.00 0.00 H new ATOM 1431 N MET A 99 23.908 -20.970 -56.286 1.00 0.00 N ATOM 1432 CA MET A 99 23.024 -20.938 -57.488 1.00 0.00 C ATOM 1433 C MET A 99 23.611 -20.014 -58.559 1.00 0.00 C ATOM 1434 O MET A 99 23.290 -20.123 -59.726 1.00 0.00 O ATOM 1435 CB MET A 99 21.689 -20.390 -56.982 1.00 0.00 C ATOM 1436 CG MET A 99 20.773 -21.552 -56.595 1.00 0.00 C ATOM 1437 SD MET A 99 19.625 -21.012 -55.305 1.00 0.00 S ATOM 1438 CE MET A 99 19.541 -22.580 -54.405 1.00 0.00 C ATOM 0 H MET A 99 23.654 -20.318 -55.544 1.00 0.00 H new ATOM 0 HA MET A 99 22.917 -21.922 -57.945 1.00 0.00 H new ATOM 0 HB2 MET A 99 21.853 -19.741 -56.122 1.00 0.00 H new ATOM 0 HB3 MET A 99 21.217 -19.783 -57.754 1.00 0.00 H new ATOM 0 HG2 MET A 99 20.219 -21.899 -57.468 1.00 0.00 H new ATOM 0 HG3 MET A 99 21.367 -22.394 -56.239 1.00 0.00 H new ATOM 0 HE1 MET A 99 18.509 -22.778 -54.114 1.00 0.00 H new ATOM 0 HE2 MET A 99 19.898 -23.387 -55.045 1.00 0.00 H new ATOM 0 HE3 MET A 99 20.165 -22.521 -53.513 1.00 0.00 H new ATOM 1448 N SER A 100 24.467 -19.104 -58.173 1.00 0.00 N ATOM 1449 CA SER A 100 25.070 -18.174 -59.172 1.00 0.00 C ATOM 1450 C SER A 100 26.369 -18.759 -59.732 1.00 0.00 C ATOM 1451 O SER A 100 26.759 -18.470 -60.848 1.00 0.00 O ATOM 1452 CB SER A 100 25.353 -16.893 -58.392 1.00 0.00 C ATOM 1453 OG SER A 100 26.474 -17.099 -57.541 1.00 0.00 O ATOM 0 H SER A 100 24.774 -18.965 -57.210 1.00 0.00 H new ATOM 0 HA SER A 100 24.412 -18.000 -60.023 1.00 0.00 H new ATOM 0 HB2 SER A 100 25.550 -16.071 -59.080 1.00 0.00 H new ATOM 0 HB3 SER A 100 24.481 -16.613 -57.802 1.00 0.00 H new ATOM 0 HG SER A 100 26.659 -16.278 -57.040 1.00 0.00 H new ATOM 1459 N LEU A 101 27.044 -19.574 -58.968 1.00 0.00 N ATOM 1460 CA LEU A 101 28.322 -20.174 -59.456 1.00 0.00 C ATOM 1461 C LEU A 101 28.039 -21.405 -60.323 1.00 0.00 C ATOM 1462 O LEU A 101 28.847 -21.791 -61.145 1.00 0.00 O ATOM 1463 CB LEU A 101 29.080 -20.575 -58.188 1.00 0.00 C ATOM 1464 CG LEU A 101 30.093 -19.483 -57.824 1.00 0.00 C ATOM 1465 CD1 LEU A 101 29.825 -18.988 -56.401 1.00 0.00 C ATOM 1466 CD2 LEU A 101 31.511 -20.053 -57.903 1.00 0.00 C ATOM 0 H LEU A 101 26.767 -19.851 -58.026 1.00 0.00 H new ATOM 0 HA LEU A 101 28.892 -19.479 -60.073 1.00 0.00 H new ATOM 0 HB2 LEU A 101 28.380 -20.724 -57.366 1.00 0.00 H new ATOM 0 HB3 LEU A 101 29.594 -21.523 -58.345 1.00 0.00 H new ATOM 0 HG LEU A 101 29.994 -18.653 -58.523 1.00 0.00 H new ATOM 0 HD11 LEU A 101 30.546 -18.212 -56.144 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.816 -18.580 -56.342 1.00 0.00 H new ATOM 0 HD13 LEU A 101 29.922 -19.819 -55.702 1.00 0.00 H new ATOM 0 HD21 LEU A 101 32.230 -19.276 -57.644 1.00 0.00 H new ATOM 0 HD22 LEU A 101 31.608 -20.885 -57.205 1.00 0.00 H new ATOM 0 HD23 LEU A 101 31.706 -20.405 -58.916 1.00 0.00 H new