USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 MET CE :methyl -174:sc= -0.755 (180deg=-0.813) USER MOD Set 1.2: A 105 THR OG1 : rot -150:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.6!) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 1.11 (180deg=1.07) USER MOD Single : A 25 ASN : amide:sc=-0.00624 K(o=-0.0062,f=-1.4) USER MOD Single : A 27 GLN : amide:sc= 0.565 K(o=0.57,f=-0.0046) USER MOD Single : A 30 GLN : amide:sc= 0.427 K(o=0.43,f=-0.45) USER MOD Single : A 31 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.83) USER MOD Single : A 32 SER OG : rot -171:sc= 1.13 USER MOD Single : A 36 MET CE :methyl 134:sc= -0.0976 (180deg=-0.995) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -6.34! K(o=-6.3!,f=-1.7) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 56 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.3!) USER MOD Single : A 57 MET CE :methyl -156:sc= -0.408 (180deg=-0.846) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 72 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 76 GLN : amide:sc= 0.0453 K(o=0.045,f=-1.6) USER MOD Single : A 77 GLN : amide:sc= 0.058 K(o=0.058,f=-9.2!) USER MOD Single : A 80 SER OG : rot -137:sc= 1.03 USER MOD Single : A 81 THR OG1 : rot -96:sc= 0.081 USER MOD Single : A 87 CYS SG : rot 37:sc= 1.1 USER MOD Single : A 89 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 99 ASN : amide:sc= -2.52! X(o=-2.5!,f=-2.3) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.068 K(o=-0.068,f=0.43) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 131:sc= -2.95! (180deg=-4.34!) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 9.469 11.956 -0.619 1.00 0.00 N ATOM 229 CA ARG A 15 10.627 12.747 -0.223 1.00 0.00 C ATOM 230 C ARG A 15 10.631 12.975 1.284 1.00 0.00 C ATOM 231 O ARG A 15 11.468 12.435 2.004 1.00 0.00 O ATOM 232 CB ARG A 15 10.637 14.094 -0.959 1.00 0.00 C ATOM 233 CG ARG A 15 11.779 15.006 -0.541 1.00 0.00 C ATOM 234 CD ARG A 15 11.743 16.331 -1.284 1.00 0.00 C ATOM 235 NE ARG A 15 12.713 17.282 -0.744 1.00 0.00 N ATOM 236 CZ ARG A 15 12.748 18.578 -1.064 1.00 0.00 C ATOM 237 NH1 ARG A 15 11.905 19.066 -1.966 1.00 0.00 N ATOM 238 NH2 ARG A 15 13.635 19.383 -0.491 1.00 0.00 N ATOM 0 HA ARG A 15 11.526 12.193 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.702 13.912 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.691 14.604 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.724 15.189 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.730 14.508 -0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.950 16.161 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.742 16.757 -1.220 1.00 0.00 H new ATOM 0 HE ARG A 15 13.406 16.934 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.228 18.451 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.934 20.056 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.292 19.012 0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.660 20.373 -0.737 1.00 0.00 H new ATOM 252 N ALA A 16 9.680 13.766 1.758 1.00 0.00 N ATOM 253 CA ALA A 16 9.606 14.095 3.170 1.00 0.00 C ATOM 254 C ALA A 16 8.568 13.233 3.874 1.00 0.00 C ATOM 255 O ALA A 16 7.384 13.571 3.918 1.00 0.00 O ATOM 256 CB ALA A 16 9.292 15.573 3.354 1.00 0.00 C ATOM 0 H ALA A 16 8.951 14.190 1.185 1.00 0.00 H new ATOM 0 HA ALA A 16 10.577 13.889 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.240 15.804 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.076 16.172 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.335 15.803 2.885 1.00 0.00 H new ATOM 262 N ALA A 17 9.014 12.103 4.396 1.00 0.00 N ATOM 263 CA ALA A 17 8.139 11.192 5.110 1.00 0.00 C ATOM 264 C ALA A 17 8.867 10.585 6.300 1.00 0.00 C ATOM 265 O ALA A 17 10.043 10.240 6.208 1.00 0.00 O ATOM 266 CB ALA A 17 7.635 10.101 4.180 1.00 0.00 C ATOM 0 H ALA A 17 9.984 11.794 4.337 1.00 0.00 H new ATOM 0 HA ALA A 17 7.280 11.752 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.980 9.426 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.081 10.552 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.482 9.541 3.784 1.00 0.00 H new ATOM 272 N ASP A 18 8.175 10.488 7.420 1.00 0.00 N ATOM 273 CA ASP A 18 8.748 9.890 8.620 1.00 0.00 C ATOM 274 C ASP A 18 7.830 8.804 9.154 1.00 0.00 C ATOM 275 O ASP A 18 8.275 7.733 9.559 1.00 0.00 O ATOM 276 CB ASP A 18 8.970 10.953 9.708 1.00 0.00 C ATOM 277 CG ASP A 18 7.671 11.433 10.326 1.00 0.00 C ATOM 278 OD1 ASP A 18 6.875 12.084 9.618 1.00 0.00 O ATOM 279 OD2 ASP A 18 7.416 11.130 11.509 1.00 0.00 O ATOM 0 H ASP A 18 7.215 10.815 7.528 1.00 0.00 H new ATOM 0 HA ASP A 18 9.711 9.454 8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.609 10.541 10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.500 11.803 9.278 1.00 0.00 H new ATOM 284 N GLY A 19 6.538 9.083 9.119 1.00 0.00 N ATOM 285 CA GLY A 19 5.570 8.196 9.707 1.00 0.00 C ATOM 286 C GLY A 19 4.412 8.967 10.286 1.00 0.00 C ATOM 287 O GLY A 19 3.267 8.523 10.219 1.00 0.00 O ATOM 0 H GLY A 19 6.143 9.919 8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.206 7.498 8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.043 7.602 10.489 1.00 0.00 H new ATOM 291 N ARG A 20 4.711 10.134 10.846 1.00 0.00 N ATOM 292 CA ARG A 20 3.679 11.009 11.383 1.00 0.00 C ATOM 293 C ARG A 20 3.274 12.055 10.351 1.00 0.00 C ATOM 294 O ARG A 20 2.258 12.730 10.509 1.00 0.00 O ATOM 295 CB ARG A 20 4.150 11.688 12.670 1.00 0.00 C ATOM 296 CG ARG A 20 4.602 10.708 13.741 1.00 0.00 C ATOM 297 CD ARG A 20 4.651 11.360 15.111 1.00 0.00 C ATOM 298 NE ARG A 20 5.475 12.567 15.130 1.00 0.00 N ATOM 299 CZ ARG A 20 5.241 13.602 15.931 1.00 0.00 C ATOM 300 NH1 ARG A 20 4.184 13.588 16.732 1.00 0.00 N ATOM 301 NH2 ARG A 20 6.057 14.650 15.927 1.00 0.00 N ATOM 0 H ARG A 20 5.660 10.495 10.939 1.00 0.00 H new ATOM 0 HA ARG A 20 2.809 10.396 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.973 12.363 12.435 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.340 12.299 13.067 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.921 9.857 13.767 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.588 10.320 13.487 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.638 11.611 15.426 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.043 10.646 15.835 1.00 0.00 H new ATOM 0 HE ARG A 20 6.272 12.618 14.495 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.555 12.785 16.732 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.001 14.380 17.348 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.867 14.663 15.308 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.873 15.442 16.543 1.00 0.00 H new ATOM 315 N HIS A 21 4.082 12.200 9.305 1.00 0.00 N ATOM 316 CA HIS A 21 3.707 13.031 8.167 1.00 0.00 C ATOM 317 C HIS A 21 4.273 12.443 6.881 1.00 0.00 C ATOM 318 O HIS A 21 5.215 11.643 6.913 1.00 0.00 O ATOM 319 CB HIS A 21 4.178 14.486 8.356 1.00 0.00 C ATOM 320 CG HIS A 21 5.535 14.813 7.786 1.00 0.00 C ATOM 321 ND1 HIS A 21 6.710 14.261 8.244 1.00 0.00 N ATOM 322 CD2 HIS A 21 5.885 15.647 6.778 1.00 0.00 C ATOM 323 CE1 HIS A 21 7.724 14.747 7.551 1.00 0.00 C ATOM 324 NE2 HIS A 21 7.251 15.590 6.653 1.00 0.00 N ATOM 0 H HIS A 21 4.996 11.755 9.222 1.00 0.00 H new ATOM 0 HA HIS A 21 2.619 13.045 8.099 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.443 15.149 7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 21 4.189 14.709 9.423 1.00 0.00 H new ATOM 0 HD1 HIS A 21 6.786 13.582 9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.213 16.247 6.182 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.765 14.497 7.695 1.00 0.00 H new ATOM 333 N ALA A 22 3.694 12.847 5.762 1.00 0.00 N ATOM 334 CA ALA A 22 4.149 12.405 4.451 1.00 0.00 C ATOM 335 C ALA A 22 3.864 13.471 3.403 1.00 0.00 C ATOM 336 O ALA A 22 2.709 13.811 3.147 1.00 0.00 O ATOM 337 CB ALA A 22 3.481 11.091 4.070 1.00 0.00 C ATOM 0 H ALA A 22 2.900 13.487 5.735 1.00 0.00 H new ATOM 0 HA ALA A 22 5.226 12.243 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.833 10.776 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.732 10.328 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.400 11.227 4.042 1.00 0.00 H new ATOM 343 N LYS A 23 4.916 14.017 2.817 1.00 0.00 N ATOM 344 CA LYS A 23 4.768 15.032 1.787 1.00 0.00 C ATOM 345 C LYS A 23 4.974 14.414 0.411 1.00 0.00 C ATOM 346 O LYS A 23 6.102 14.105 0.015 1.00 0.00 O ATOM 347 CB LYS A 23 5.757 16.179 2.019 1.00 0.00 C ATOM 348 CG LYS A 23 5.558 17.369 1.089 1.00 0.00 C ATOM 349 CD LYS A 23 6.409 18.555 1.520 1.00 0.00 C ATOM 350 CE LYS A 23 6.098 19.807 0.711 1.00 0.00 C ATOM 351 NZ LYS A 23 6.558 19.701 -0.698 1.00 0.00 N ATOM 0 H LYS A 23 5.882 13.775 3.037 1.00 0.00 H new ATOM 0 HA LYS A 23 3.758 15.439 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.667 16.519 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.772 15.800 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.817 17.084 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.507 17.656 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.240 18.756 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.464 18.304 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.023 19.988 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.573 20.668 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.479 20.630 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.550 19.388 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.967 19.011 -1.205 1.00 0.00 H new ATOM 365 N VAL A 24 3.879 14.217 -0.304 1.00 0.00 N ATOM 366 CA VAL A 24 3.925 13.631 -1.631 1.00 0.00 C ATOM 367 C VAL A 24 4.098 14.725 -2.675 1.00 0.00 C ATOM 368 O VAL A 24 3.119 15.291 -3.169 1.00 0.00 O ATOM 369 CB VAL A 24 2.650 12.816 -1.943 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.793 12.067 -3.260 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.340 11.853 -0.807 1.00 0.00 C ATOM 0 H VAL A 24 2.941 14.457 0.017 1.00 0.00 H new ATOM 0 HA VAL A 24 4.776 12.950 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 24 1.817 13.512 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.883 11.501 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.959 12.780 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.640 11.383 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.439 11.288 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.175 11.165 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.183 12.415 0.114 1.00 0.00 H new ATOM 381 N ASN A 25 5.358 15.041 -2.968 1.00 0.00 N ATOM 382 CA ASN A 25 5.715 16.084 -3.929 1.00 0.00 C ATOM 383 C ASN A 25 5.166 17.447 -3.501 1.00 0.00 C ATOM 384 O ASN A 25 5.819 18.180 -2.760 1.00 0.00 O ATOM 385 CB ASN A 25 5.231 15.733 -5.346 1.00 0.00 C ATOM 386 CG ASN A 25 6.013 14.594 -5.981 1.00 0.00 C ATOM 387 OD1 ASN A 25 6.519 13.706 -5.296 1.00 0.00 O ATOM 388 ND2 ASN A 25 6.114 14.614 -7.303 1.00 0.00 N ATOM 0 H ASN A 25 6.163 14.580 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 25 6.803 16.144 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.176 15.463 -5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.310 16.617 -5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.625 13.876 -7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.680 15.368 -7.836 1.00 0.00 H new ATOM 395 N GLU A 26 3.953 17.762 -3.935 1.00 0.00 N ATOM 396 CA GLU A 26 3.361 19.067 -3.669 1.00 0.00 C ATOM 397 C GLU A 26 2.305 19.009 -2.567 1.00 0.00 C ATOM 398 O GLU A 26 1.958 20.038 -1.987 1.00 0.00 O ATOM 399 CB GLU A 26 2.745 19.640 -4.946 1.00 0.00 C ATOM 400 CG GLU A 26 3.762 20.283 -5.873 1.00 0.00 C ATOM 401 CD GLU A 26 4.418 21.495 -5.244 1.00 0.00 C ATOM 402 OE1 GLU A 26 3.801 22.581 -5.255 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.539 21.365 -4.717 1.00 0.00 O ATOM 0 H GLU A 26 3.359 17.131 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 26 4.164 19.719 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.230 18.842 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.992 20.380 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.527 19.552 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.271 20.577 -6.801 1.00 0.00 H new ATOM 410 N GLN A 27 1.801 17.819 -2.268 1.00 0.00 N ATOM 411 CA GLN A 27 0.732 17.689 -1.285 1.00 0.00 C ATOM 412 C GLN A 27 1.214 16.980 -0.027 1.00 0.00 C ATOM 413 O GLN A 27 1.737 15.868 -0.089 1.00 0.00 O ATOM 414 CB GLN A 27 -0.471 16.940 -1.867 1.00 0.00 C ATOM 415 CG GLN A 27 -1.105 17.621 -3.072 1.00 0.00 C ATOM 416 CD GLN A 27 -2.496 17.091 -3.379 1.00 0.00 C ATOM 417 OE1 GLN A 27 -3.340 17.810 -3.916 1.00 0.00 O ATOM 418 NE2 GLN A 27 -2.749 15.838 -3.033 1.00 0.00 N ATOM 0 H GLN A 27 2.109 16.941 -2.685 1.00 0.00 H new ATOM 0 HA GLN A 27 0.423 18.700 -1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.156 15.937 -2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.226 16.827 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.161 18.694 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.466 17.478 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.023 15.275 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.670 15.436 -3.209 1.00 0.00 H new ATOM 427 N ILE A 28 1.040 17.632 1.113 1.00 0.00 N ATOM 428 CA ILE A 28 1.352 17.022 2.394 1.00 0.00 C ATOM 429 C ILE A 28 0.147 16.232 2.883 1.00 0.00 C ATOM 430 O ILE A 28 -0.836 16.806 3.352 1.00 0.00 O ATOM 431 CB ILE A 28 1.737 18.070 3.461 1.00 0.00 C ATOM 432 CG1 ILE A 28 2.876 18.956 2.952 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.138 17.380 4.758 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.250 20.071 3.905 1.00 0.00 C ATOM 0 H ILE A 28 0.684 18.586 1.176 1.00 0.00 H new ATOM 0 HA ILE A 28 2.210 16.366 2.246 1.00 0.00 H new ATOM 0 HB ILE A 28 0.871 18.701 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.754 18.336 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.588 19.390 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.407 18.130 5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.302 16.786 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.992 16.729 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.064 20.657 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.386 20.715 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.570 19.645 4.856 1.00 0.00 H new ATOM 446 N LEU A 29 0.216 14.919 2.759 1.00 0.00 N ATOM 447 CA LEU A 29 -0.910 14.071 3.096 1.00 0.00 C ATOM 448 C LEU A 29 -0.686 13.388 4.438 1.00 0.00 C ATOM 449 O LEU A 29 0.040 12.399 4.535 1.00 0.00 O ATOM 450 CB LEU A 29 -1.145 13.030 1.998 1.00 0.00 C ATOM 451 CG LEU A 29 -1.379 13.602 0.595 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.582 12.481 -0.410 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.576 14.541 0.591 1.00 0.00 C ATOM 0 H LEU A 29 1.040 14.418 2.427 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.798 14.698 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.284 12.363 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.007 12.423 2.274 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.495 14.171 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.747 12.906 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.697 11.846 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.449 11.886 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.725 14.936 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.467 13.996 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.395 15.365 1.282 1.00 0.00 H new ATOM 465 N GLN A 30 -1.298 13.936 5.473 1.00 0.00 N ATOM 466 CA GLN A 30 -1.229 13.351 6.801 1.00 0.00 C ATOM 467 C GLN A 30 -2.492 12.532 7.033 1.00 0.00 C ATOM 468 O GLN A 30 -3.347 12.880 7.845 1.00 0.00 O ATOM 469 CB GLN A 30 -1.069 14.445 7.865 1.00 0.00 C ATOM 470 CG GLN A 30 -0.782 13.909 9.259 1.00 0.00 C ATOM 471 CD GLN A 30 -0.520 15.012 10.266 1.00 0.00 C ATOM 472 OE1 GLN A 30 -1.041 16.119 10.148 1.00 0.00 O ATOM 473 NE2 GLN A 30 0.304 14.721 11.260 1.00 0.00 N ATOM 0 H GLN A 30 -1.852 14.791 5.419 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.358 12.700 6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.259 15.111 7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.979 15.044 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.628 13.309 9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.083 13.246 9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.717 13.791 11.324 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.526 15.427 11.962 1.00 0.00 H new ATOM 482 N GLN A 31 -2.609 11.470 6.256 1.00 0.00 N ATOM 483 CA GLN A 31 -3.788 10.620 6.260 1.00 0.00 C ATOM 484 C GLN A 31 -3.443 9.247 5.693 1.00 0.00 C ATOM 485 O GLN A 31 -2.270 8.892 5.587 1.00 0.00 O ATOM 486 CB GLN A 31 -4.899 11.275 5.429 1.00 0.00 C ATOM 487 CG GLN A 31 -4.414 11.803 4.085 1.00 0.00 C ATOM 488 CD GLN A 31 -5.487 12.542 3.310 1.00 0.00 C ATOM 489 OE1 GLN A 31 -6.412 13.112 3.889 1.00 0.00 O ATOM 490 NE2 GLN A 31 -5.360 12.553 1.993 1.00 0.00 N ATOM 0 H GLN A 31 -1.886 11.171 5.601 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.138 10.495 7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.694 10.548 5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.333 12.096 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.568 12.471 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.050 10.969 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.579 12.068 1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.044 13.046 1.419 1.00 0.00 H new ATOM 499 N SER A 32 -4.460 8.478 5.347 1.00 0.00 N ATOM 500 CA SER A 32 -4.259 7.199 4.691 1.00 0.00 C ATOM 501 C SER A 32 -4.683 7.312 3.231 1.00 0.00 C ATOM 502 O SER A 32 -5.801 7.746 2.934 1.00 0.00 O ATOM 503 CB SER A 32 -5.067 6.111 5.401 1.00 0.00 C ATOM 504 OG SER A 32 -4.824 6.126 6.801 1.00 0.00 O ATOM 0 H SER A 32 -5.438 8.719 5.510 1.00 0.00 H new ATOM 0 HA SER A 32 -3.205 6.926 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.130 6.261 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.805 5.135 4.994 1.00 0.00 H new ATOM 0 HG SER A 32 -5.231 5.335 7.212 1.00 0.00 H new ATOM 510 N PHE A 33 -3.790 6.950 2.321 1.00 0.00 N ATOM 511 CA PHE A 33 -4.064 7.095 0.899 1.00 0.00 C ATOM 512 C PHE A 33 -3.426 5.967 0.097 1.00 0.00 C ATOM 513 O PHE A 33 -2.513 5.290 0.571 1.00 0.00 O ATOM 514 CB PHE A 33 -3.568 8.456 0.393 1.00 0.00 C ATOM 515 CG PHE A 33 -2.097 8.698 0.603 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.631 9.239 1.791 1.00 0.00 C ATOM 517 CD2 PHE A 33 -1.182 8.393 -0.393 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.282 9.470 1.983 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.167 8.621 -0.208 1.00 0.00 C ATOM 520 CZ PHE A 33 0.617 9.160 0.982 1.00 0.00 C ATOM 0 H PHE A 33 -2.875 6.556 2.540 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.144 7.040 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.789 8.537 -0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.129 9.244 0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.331 9.483 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.529 7.972 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.068 9.892 2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.869 8.379 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.672 9.339 1.129 1.00 0.00 H new ATOM 530 N ILE A 34 -3.911 5.783 -1.123 1.00 0.00 N ATOM 531 CA ILE A 34 -3.401 4.749 -2.008 1.00 0.00 C ATOM 532 C ILE A 34 -2.688 5.382 -3.195 1.00 0.00 C ATOM 533 O ILE A 34 -3.299 6.115 -3.979 1.00 0.00 O ATOM 534 CB ILE A 34 -4.535 3.844 -2.534 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.395 3.335 -1.373 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.961 2.675 -3.324 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.639 2.596 -1.818 1.00 0.00 C ATOM 0 H ILE A 34 -4.664 6.343 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.705 4.140 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.166 4.433 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.794 2.674 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.688 4.181 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.774 2.047 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.389 3.054 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.308 2.086 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.198 2.265 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.262 3.260 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.354 1.730 -2.415 1.00 0.00 H new ATOM 549 N LEU A 35 -1.403 5.105 -3.327 1.00 0.00 N ATOM 550 CA LEU A 35 -0.611 5.668 -4.404 1.00 0.00 C ATOM 551 C LEU A 35 -0.328 4.621 -5.471 1.00 0.00 C ATOM 552 O LEU A 35 0.284 3.584 -5.199 1.00 0.00 O ATOM 553 CB LEU A 35 0.705 6.237 -3.860 1.00 0.00 C ATOM 554 CG LEU A 35 1.650 6.831 -4.909 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.990 7.989 -5.641 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.947 7.288 -4.259 1.00 0.00 C ATOM 0 H LEU A 35 -0.885 4.491 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.183 6.477 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.471 7.010 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.232 5.444 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 35 1.879 6.053 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.681 8.393 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.088 7.636 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.726 8.768 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.607 7.707 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.730 8.047 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.435 6.437 -3.784 1.00 0.00 H new ATOM 568 N MET A 36 -0.807 4.884 -6.676 1.00 0.00 N ATOM 569 CA MET A 36 -0.530 4.036 -7.822 1.00 0.00 C ATOM 570 C MET A 36 0.264 4.840 -8.843 1.00 0.00 C ATOM 571 O MET A 36 0.122 6.059 -8.909 1.00 0.00 O ATOM 572 CB MET A 36 -1.837 3.524 -8.444 1.00 0.00 C ATOM 573 CG MET A 36 -2.707 2.736 -7.476 1.00 0.00 C ATOM 574 SD MET A 36 -4.259 2.189 -8.218 1.00 0.00 S ATOM 575 CE MET A 36 -3.664 1.048 -9.463 1.00 0.00 C ATOM 0 H MET A 36 -1.397 5.689 -6.886 1.00 0.00 H new ATOM 0 HA MET A 36 0.050 3.170 -7.503 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.406 4.373 -8.822 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.599 2.893 -9.301 1.00 0.00 H new ATOM 0 HG2 MET A 36 -2.153 1.867 -7.121 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.924 3.353 -6.604 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.254 0.132 -9.429 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.758 1.504 -10.449 1.00 0.00 H new ATOM 0 HE3 MET A 36 -2.617 0.813 -9.270 1.00 0.00 H new ATOM 585 N PRO A 37 1.107 4.178 -9.651 1.00 0.00 N ATOM 586 CA PRO A 37 1.975 4.858 -10.628 1.00 0.00 C ATOM 587 C PRO A 37 1.214 5.420 -11.836 1.00 0.00 C ATOM 588 O PRO A 37 1.714 5.387 -12.965 1.00 0.00 O ATOM 589 CB PRO A 37 2.936 3.752 -11.067 1.00 0.00 C ATOM 590 CG PRO A 37 2.182 2.484 -10.860 1.00 0.00 C ATOM 591 CD PRO A 37 1.293 2.716 -9.669 1.00 0.00 C ATOM 0 HA PRO A 37 2.462 5.730 -10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.227 3.873 -12.111 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.852 3.768 -10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.593 2.232 -11.742 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.862 1.651 -10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.342 2.193 -9.771 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.756 2.360 -8.749 1.00 0.00 H new ATOM 599 N ASP A 38 0.029 5.966 -11.585 1.00 0.00 N ATOM 600 CA ASP A 38 -0.794 6.570 -12.630 1.00 0.00 C ATOM 601 C ASP A 38 -1.998 7.273 -12.013 1.00 0.00 C ATOM 602 O ASP A 38 -2.454 8.302 -12.514 1.00 0.00 O ATOM 603 CB ASP A 38 -1.268 5.526 -13.657 1.00 0.00 C ATOM 604 CG ASP A 38 -2.347 4.602 -13.123 1.00 0.00 C ATOM 605 OD1 ASP A 38 -2.023 3.708 -12.318 1.00 0.00 O ATOM 606 OD2 ASP A 38 -3.524 4.761 -13.518 1.00 0.00 O ATOM 0 H ASP A 38 -0.388 6.003 -10.655 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.176 7.299 -13.154 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.646 6.041 -14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.414 4.929 -13.977 1.00 0.00 H new ATOM 611 N GLU A 39 -2.502 6.723 -10.915 1.00 0.00 N ATOM 612 CA GLU A 39 -3.667 7.277 -10.243 1.00 0.00 C ATOM 613 C GLU A 39 -3.429 7.381 -8.740 1.00 0.00 C ATOM 614 O GLU A 39 -2.806 6.512 -8.135 1.00 0.00 O ATOM 615 CB GLU A 39 -4.898 6.413 -10.526 1.00 0.00 C ATOM 616 CG GLU A 39 -6.155 6.882 -9.814 1.00 0.00 C ATOM 617 CD GLU A 39 -7.392 6.132 -10.257 1.00 0.00 C ATOM 618 OE1 GLU A 39 -7.666 5.044 -9.712 1.00 0.00 O ATOM 619 OE2 GLU A 39 -8.103 6.635 -11.148 1.00 0.00 O ATOM 0 H GLU A 39 -2.118 5.889 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.842 8.281 -10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.083 6.402 -11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.685 5.386 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.026 6.758 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.296 7.947 -9.998 1.00 0.00 H new ATOM 626 N LEU A 40 -3.924 8.454 -8.144 1.00 0.00 N ATOM 627 CA LEU A 40 -3.781 8.662 -6.714 1.00 0.00 C ATOM 628 C LEU A 40 -5.146 8.673 -6.034 1.00 0.00 C ATOM 629 O LEU A 40 -6.026 9.455 -6.397 1.00 0.00 O ATOM 630 CB LEU A 40 -3.046 9.979 -6.439 1.00 0.00 C ATOM 631 CG LEU A 40 -2.890 10.349 -4.960 1.00 0.00 C ATOM 632 CD1 LEU A 40 -2.090 9.290 -4.217 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.225 11.708 -4.820 1.00 0.00 C ATOM 0 H LEU A 40 -4.429 9.195 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.196 7.839 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.055 9.923 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.579 10.785 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.884 10.399 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.993 9.576 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.604 8.331 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.099 9.203 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.122 11.955 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.239 11.680 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.836 12.465 -5.312 1.00 0.00 H new ATOM 645 N VAL A 41 -5.318 7.786 -5.067 1.00 0.00 N ATOM 646 CA VAL A 41 -6.514 7.777 -4.243 1.00 0.00 C ATOM 647 C VAL A 41 -6.206 8.483 -2.932 1.00 0.00 C ATOM 648 O VAL A 41 -5.562 7.916 -2.048 1.00 0.00 O ATOM 649 CB VAL A 41 -7.011 6.343 -3.956 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.294 6.369 -3.138 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.215 5.574 -5.254 1.00 0.00 C ATOM 0 H VAL A 41 -4.640 7.060 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.307 8.293 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.247 5.830 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.625 5.348 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.110 6.873 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.067 6.904 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.565 4.567 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.955 6.087 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.271 5.517 -5.796 1.00 0.00 H new ATOM 661 N GLU A 42 -6.647 9.726 -2.825 1.00 0.00 N ATOM 662 CA GLU A 42 -6.285 10.572 -1.698 1.00 0.00 C ATOM 663 C GLU A 42 -7.100 10.237 -0.457 1.00 0.00 C ATOM 664 O GLU A 42 -6.608 10.331 0.664 1.00 0.00 O ATOM 665 CB GLU A 42 -6.487 12.045 -2.059 1.00 0.00 C ATOM 666 CG GLU A 42 -5.620 12.525 -3.213 1.00 0.00 C ATOM 667 CD GLU A 42 -5.854 13.985 -3.546 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.346 14.858 -2.807 1.00 0.00 O ATOM 669 OE2 GLU A 42 -6.547 14.266 -4.548 1.00 0.00 O ATOM 0 H GLU A 42 -7.259 10.173 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.234 10.387 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.535 12.205 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.276 12.656 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.570 12.377 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.825 11.917 -4.094 1.00 0.00 H new ATOM 676 N HIS A 43 -8.346 9.837 -0.654 1.00 0.00 N ATOM 677 CA HIS A 43 -9.248 9.638 0.471 1.00 0.00 C ATOM 678 C HIS A 43 -9.525 8.162 0.712 1.00 0.00 C ATOM 679 O HIS A 43 -10.425 7.578 0.107 1.00 0.00 O ATOM 680 CB HIS A 43 -10.562 10.396 0.252 1.00 0.00 C ATOM 681 CG HIS A 43 -10.371 11.857 -0.021 1.00 0.00 C ATOM 682 ND1 HIS A 43 -10.069 12.780 0.958 1.00 0.00 N ATOM 683 CD2 HIS A 43 -10.424 12.550 -1.183 1.00 0.00 C ATOM 684 CE1 HIS A 43 -9.947 13.975 0.409 1.00 0.00 C ATOM 685 NE2 HIS A 43 -10.157 13.862 -0.888 1.00 0.00 N ATOM 0 H HIS A 43 -8.753 9.646 -1.570 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.756 10.036 1.359 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.097 9.945 -0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.191 10.279 1.134 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.637 12.144 -2.161 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.715 14.890 0.934 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.126 14.627 -1.562 1.00 0.00 H new ATOM 694 N TRP A 44 -8.733 7.558 1.584 1.00 0.00 N ATOM 695 CA TRP A 44 -8.960 6.184 2.003 1.00 0.00 C ATOM 696 C TRP A 44 -8.842 6.096 3.526 1.00 0.00 C ATOM 697 O TRP A 44 -7.788 5.763 4.061 1.00 0.00 O ATOM 698 CB TRP A 44 -7.965 5.244 1.312 1.00 0.00 C ATOM 699 CG TRP A 44 -8.233 3.787 1.551 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.391 3.111 1.288 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.314 2.824 2.078 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.252 1.787 1.634 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.984 1.586 2.117 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.992 2.889 2.528 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.375 0.425 2.586 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.387 1.734 2.987 1.00 0.00 C ATOM 707 CH2 TRP A 44 -6.078 0.517 3.013 1.00 0.00 C ATOM 0 H TRP A 44 -7.923 8.001 2.017 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.963 5.872 1.711 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.986 5.435 0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.959 5.479 1.658 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.284 3.551 0.870 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.974 1.072 1.546 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.453 3.825 2.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.907 -0.514 2.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.364 1.771 3.331 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.577 -0.368 3.378 1.00 0.00 H new ATOM 718 N PRO A 45 -9.925 6.445 4.240 1.00 0.00 N ATOM 719 CA PRO A 45 -9.929 6.521 5.706 1.00 0.00 C ATOM 720 C PRO A 45 -9.763 5.163 6.382 1.00 0.00 C ATOM 721 O PRO A 45 -10.739 4.456 6.640 1.00 0.00 O ATOM 722 CB PRO A 45 -11.303 7.120 6.042 1.00 0.00 C ATOM 723 CG PRO A 45 -11.819 7.674 4.757 1.00 0.00 C ATOM 724 CD PRO A 45 -11.232 6.813 3.679 1.00 0.00 C ATOM 0 HA PRO A 45 -9.088 7.113 6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.976 6.361 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.217 7.899 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.908 7.648 4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.521 8.715 4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.849 5.937 3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.132 7.354 2.738 1.00 0.00 H new ATOM 732 N VAL A 46 -8.513 4.794 6.636 1.00 0.00 N ATOM 733 CA VAL A 46 -8.192 3.569 7.356 1.00 0.00 C ATOM 734 C VAL A 46 -7.093 3.841 8.385 1.00 0.00 C ATOM 735 O VAL A 46 -5.916 3.959 8.038 1.00 0.00 O ATOM 736 CB VAL A 46 -7.746 2.437 6.396 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.243 1.225 7.168 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.892 2.032 5.481 1.00 0.00 C ATOM 0 H VAL A 46 -7.696 5.334 6.349 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.097 3.237 7.864 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.925 2.820 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.938 0.448 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.391 1.514 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.040 0.844 7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.561 1.236 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.729 1.677 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.208 2.892 4.891 1.00 0.00 H new ATOM 748 N PRO A 47 -7.473 3.988 9.662 1.00 0.00 N ATOM 749 CA PRO A 47 -6.536 4.267 10.745 1.00 0.00 C ATOM 750 C PRO A 47 -5.784 3.018 11.199 1.00 0.00 C ATOM 751 O PRO A 47 -6.332 2.182 11.923 1.00 0.00 O ATOM 752 CB PRO A 47 -7.427 4.798 11.881 1.00 0.00 C ATOM 753 CG PRO A 47 -8.814 4.863 11.323 1.00 0.00 C ATOM 754 CD PRO A 47 -8.848 3.915 10.158 1.00 0.00 C ATOM 0 HA PRO A 47 -5.764 4.971 10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.386 4.140 12.749 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.093 5.782 12.211 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.549 4.579 12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.058 5.877 11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.118 2.904 10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.571 4.224 9.403 1.00 0.00 H new ATOM 762 N SER A 48 -4.537 2.894 10.742 1.00 0.00 N ATOM 763 CA SER A 48 -3.664 1.783 11.121 1.00 0.00 C ATOM 764 C SER A 48 -4.241 0.441 10.664 1.00 0.00 C ATOM 765 O SER A 48 -5.211 0.393 9.905 1.00 0.00 O ATOM 766 CB SER A 48 -3.447 1.773 12.640 1.00 0.00 C ATOM 767 OG SER A 48 -2.926 3.015 13.089 1.00 0.00 O ATOM 0 H SER A 48 -4.105 3.559 10.101 1.00 0.00 H new ATOM 0 HA SER A 48 -2.705 1.926 10.623 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.391 1.567 13.144 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.761 0.969 12.907 1.00 0.00 H new ATOM 0 HG SER A 48 -2.798 2.984 14.060 1.00 0.00 H new ATOM 773 N LEU A 49 -3.629 -0.646 11.110 1.00 0.00 N ATOM 774 CA LEU A 49 -4.149 -1.971 10.831 1.00 0.00 C ATOM 775 C LEU A 49 -5.096 -2.384 11.950 1.00 0.00 C ATOM 776 O LEU A 49 -5.092 -1.782 13.025 1.00 0.00 O ATOM 777 CB LEU A 49 -3.006 -2.982 10.682 1.00 0.00 C ATOM 778 CG LEU A 49 -1.982 -2.646 9.592 1.00 0.00 C ATOM 779 CD1 LEU A 49 -0.945 -3.751 9.470 1.00 0.00 C ATOM 780 CD2 LEU A 49 -2.671 -2.417 8.255 1.00 0.00 C ATOM 0 H LEU A 49 -2.774 -0.634 11.665 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.697 -1.952 9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.485 -3.062 11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.433 -3.962 10.469 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.474 -1.725 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.228 -3.493 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.423 -3.867 10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.440 -4.687 9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.925 -2.180 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.210 -3.319 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.373 -1.588 8.345 1.00 0.00 H new ATOM 792 N GLY A 50 -5.919 -3.386 11.693 1.00 0.00 N ATOM 793 CA GLY A 50 -6.910 -3.791 12.666 1.00 0.00 C ATOM 794 C GLY A 50 -8.269 -3.985 12.030 1.00 0.00 C ATOM 795 O GLY A 50 -8.697 -5.116 11.804 1.00 0.00 O ATOM 0 H GLY A 50 -5.919 -3.927 10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.595 -4.719 13.142 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.979 -3.038 13.451 1.00 0.00 H new ATOM 799 N GLN A 51 -8.941 -2.884 11.715 1.00 0.00 N ATOM 800 CA GLN A 51 -10.243 -2.960 11.059 1.00 0.00 C ATOM 801 C GLN A 51 -10.087 -3.059 9.543 1.00 0.00 C ATOM 802 O GLN A 51 -11.051 -2.902 8.787 1.00 0.00 O ATOM 803 CB GLN A 51 -11.145 -1.774 11.450 1.00 0.00 C ATOM 804 CG GLN A 51 -10.505 -0.387 11.372 1.00 0.00 C ATOM 805 CD GLN A 51 -10.085 0.021 9.972 1.00 0.00 C ATOM 806 OE1 GLN A 51 -10.889 0.530 9.193 1.00 0.00 O ATOM 807 NE2 GLN A 51 -8.810 -0.146 9.665 1.00 0.00 N ATOM 0 H GLN A 51 -8.611 -1.937 11.900 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.734 -3.869 11.407 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.023 -1.783 10.804 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.497 -1.932 12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.210 0.349 11.758 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -9.631 -0.364 12.024 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.175 -0.573 10.339 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.462 0.152 8.754 1.00 0.00 H new ATOM 816 N LEU A 52 -8.863 -3.322 9.106 1.00 0.00 N ATOM 817 CA LEU A 52 -8.586 -3.516 7.697 1.00 0.00 C ATOM 818 C LEU A 52 -9.078 -4.891 7.266 1.00 0.00 C ATOM 819 O LEU A 52 -8.580 -5.914 7.728 1.00 0.00 O ATOM 820 CB LEU A 52 -7.087 -3.372 7.411 1.00 0.00 C ATOM 821 CG LEU A 52 -6.696 -3.498 5.935 1.00 0.00 C ATOM 822 CD1 LEU A 52 -7.387 -2.428 5.103 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.187 -3.405 5.775 1.00 0.00 C ATOM 0 H LEU A 52 -8.047 -3.405 9.712 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.112 -2.750 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.754 -2.401 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.549 -4.130 7.980 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.022 -4.474 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.096 -2.535 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.468 -2.539 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.093 -1.442 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.927 -3.496 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.840 -2.443 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.711 -4.209 6.337 1.00 0.00 H new ATOM 835 N GLN A 53 -10.076 -4.894 6.405 1.00 0.00 N ATOM 836 CA GLN A 53 -10.688 -6.123 5.922 1.00 0.00 C ATOM 837 C GLN A 53 -11.055 -5.952 4.455 1.00 0.00 C ATOM 838 O GLN A 53 -11.050 -4.826 3.958 1.00 0.00 O ATOM 839 CB GLN A 53 -11.938 -6.448 6.744 1.00 0.00 C ATOM 840 CG GLN A 53 -11.649 -6.828 8.186 1.00 0.00 C ATOM 841 CD GLN A 53 -12.912 -6.990 9.002 1.00 0.00 C ATOM 842 OE1 GLN A 53 -13.966 -7.345 8.474 1.00 0.00 O ATOM 843 NE2 GLN A 53 -12.815 -6.730 10.294 1.00 0.00 N ATOM 0 H GLN A 53 -10.488 -4.045 6.018 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.983 -6.947 6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.602 -5.584 6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.473 -7.267 6.264 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.084 -7.760 8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.020 -6.063 8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.921 -6.438 10.690 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.634 -6.821 10.895 1.00 0.00 H new ATOM 852 N PRO A 54 -11.389 -7.045 3.742 1.00 0.00 N ATOM 853 CA PRO A 54 -11.776 -6.982 2.325 1.00 0.00 C ATOM 854 C PRO A 54 -12.924 -6.004 2.064 1.00 0.00 C ATOM 855 O PRO A 54 -13.088 -5.513 0.951 1.00 0.00 O ATOM 856 CB PRO A 54 -12.210 -8.415 2.005 1.00 0.00 C ATOM 857 CG PRO A 54 -11.492 -9.260 2.999 1.00 0.00 C ATOM 858 CD PRO A 54 -11.395 -8.433 4.249 1.00 0.00 C ATOM 0 HA PRO A 54 -10.957 -6.621 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.290 -8.531 2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.943 -8.691 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.032 -10.188 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.502 -9.535 2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.238 -8.613 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.489 -8.659 4.811 1.00 0.00 H new ATOM 866 N ALA A 55 -13.707 -5.719 3.099 1.00 0.00 N ATOM 867 CA ALA A 55 -14.809 -4.766 2.998 1.00 0.00 C ATOM 868 C ALA A 55 -14.300 -3.332 2.874 1.00 0.00 C ATOM 869 O ALA A 55 -14.927 -2.493 2.231 1.00 0.00 O ATOM 870 CB ALA A 55 -15.719 -4.896 4.209 1.00 0.00 C ATOM 0 H ALA A 55 -13.599 -6.137 4.023 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.373 -4.998 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.539 -4.182 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.122 -5.908 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.150 -4.692 5.116 1.00 0.00 H new ATOM 876 N HIS A 56 -13.157 -3.059 3.488 1.00 0.00 N ATOM 877 CA HIS A 56 -12.585 -1.714 3.477 1.00 0.00 C ATOM 878 C HIS A 56 -11.448 -1.632 2.463 1.00 0.00 C ATOM 879 O HIS A 56 -11.097 -0.557 1.976 1.00 0.00 O ATOM 880 CB HIS A 56 -12.077 -1.331 4.878 1.00 0.00 C ATOM 881 CG HIS A 56 -13.159 -1.231 5.915 1.00 0.00 C ATOM 882 ND1 HIS A 56 -12.999 -1.649 7.222 1.00 0.00 N ATOM 883 CD2 HIS A 56 -14.421 -0.740 5.835 1.00 0.00 C ATOM 884 CE1 HIS A 56 -14.115 -1.424 7.895 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.988 -0.871 7.078 1.00 0.00 N ATOM 0 H HIS A 56 -12.606 -3.748 4.000 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.365 -1.010 3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.345 -2.070 5.202 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.558 -0.374 4.816 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -12.152 -2.066 7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.892 -0.324 4.957 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.282 -1.654 8.937 1.00 0.00 H new ATOM 894 N MET A 57 -10.878 -2.788 2.148 1.00 0.00 N ATOM 895 CA MET A 57 -9.774 -2.885 1.203 1.00 0.00 C ATOM 896 C MET A 57 -10.307 -3.230 -0.190 1.00 0.00 C ATOM 897 O MET A 57 -9.539 -3.446 -1.130 1.00 0.00 O ATOM 898 CB MET A 57 -8.787 -3.952 1.684 1.00 0.00 C ATOM 899 CG MET A 57 -7.445 -3.935 0.971 1.00 0.00 C ATOM 900 SD MET A 57 -6.308 -5.169 1.629 1.00 0.00 S ATOM 901 CE MET A 57 -4.838 -4.819 0.673 1.00 0.00 C ATOM 0 H MET A 57 -11.168 -3.684 2.540 1.00 0.00 H new ATOM 0 HA MET A 57 -9.257 -1.927 1.144 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.618 -3.818 2.752 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.241 -4.934 1.554 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.599 -4.116 -0.093 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.998 -2.945 1.065 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.210 -5.709 0.632 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.122 -4.529 -0.338 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.284 -4.006 1.142 1.00 0.00 H new ATOM 911 N ASP A 58 -11.634 -3.266 -0.303 1.00 0.00 N ATOM 912 CA ASP A 58 -12.317 -3.659 -1.539 1.00 0.00 C ATOM 913 C ASP A 58 -11.795 -2.894 -2.750 1.00 0.00 C ATOM 914 O ASP A 58 -11.490 -3.493 -3.785 1.00 0.00 O ATOM 915 CB ASP A 58 -13.823 -3.424 -1.404 1.00 0.00 C ATOM 916 CG ASP A 58 -14.584 -3.825 -2.652 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.904 -5.022 -2.796 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.865 -2.951 -3.493 1.00 0.00 O ATOM 0 H ASP A 58 -12.268 -3.024 0.459 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.115 -4.719 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.202 -3.990 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.006 -2.370 -1.193 1.00 0.00 H new ATOM 923 N ALA A 59 -11.691 -1.577 -2.610 1.00 0.00 N ATOM 924 CA ALA A 59 -11.205 -0.725 -3.688 1.00 0.00 C ATOM 925 C ALA A 59 -9.824 -1.168 -4.161 1.00 0.00 C ATOM 926 O ALA A 59 -9.567 -1.242 -5.359 1.00 0.00 O ATOM 927 CB ALA A 59 -11.171 0.728 -3.237 1.00 0.00 C ATOM 0 H ALA A 59 -11.938 -1.075 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.893 -0.817 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.806 1.353 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.175 1.046 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.507 0.827 -2.378 1.00 0.00 H new ATOM 933 N VAL A 60 -8.955 -1.493 -3.210 1.00 0.00 N ATOM 934 CA VAL A 60 -7.591 -1.908 -3.521 1.00 0.00 C ATOM 935 C VAL A 60 -7.596 -3.187 -4.355 1.00 0.00 C ATOM 936 O VAL A 60 -6.866 -3.304 -5.338 1.00 0.00 O ATOM 937 CB VAL A 60 -6.768 -2.147 -2.236 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.321 -2.477 -2.570 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.845 -0.941 -1.315 1.00 0.00 C ATOM 0 H VAL A 60 -9.172 -1.477 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.129 -1.101 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.198 -3.003 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.763 -2.641 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.285 -3.379 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.877 -1.648 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.258 -1.131 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.448 -0.065 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.884 -0.760 -1.038 1.00 0.00 H new ATOM 949 N LEU A 61 -8.444 -4.130 -3.966 1.00 0.00 N ATOM 950 CA LEU A 61 -8.542 -5.409 -4.659 1.00 0.00 C ATOM 951 C LEU A 61 -9.140 -5.226 -6.052 1.00 0.00 C ATOM 952 O LEU A 61 -8.810 -5.963 -6.983 1.00 0.00 O ATOM 953 CB LEU A 61 -9.395 -6.386 -3.845 1.00 0.00 C ATOM 954 CG LEU A 61 -8.895 -6.660 -2.424 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.848 -7.596 -1.694 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.491 -7.248 -2.453 1.00 0.00 C ATOM 0 H LEU A 61 -9.076 -4.033 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.537 -5.818 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.411 -5.995 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.448 -7.332 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.860 -5.713 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.477 -7.780 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.836 -7.139 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.915 -8.541 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.154 -7.435 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.500 -8.185 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.812 -6.545 -2.936 1.00 0.00 H new ATOM 968 N ALA A 62 -10.006 -4.232 -6.191 1.00 0.00 N ATOM 969 CA ALA A 62 -10.683 -3.971 -7.454 1.00 0.00 C ATOM 970 C ALA A 62 -9.771 -3.249 -8.444 1.00 0.00 C ATOM 971 O ALA A 62 -9.993 -3.301 -9.654 1.00 0.00 O ATOM 972 CB ALA A 62 -11.943 -3.157 -7.215 1.00 0.00 C ATOM 0 H ALA A 62 -10.258 -3.589 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.952 -4.933 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.440 -2.968 -8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.614 -3.710 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.680 -2.208 -6.749 1.00 0.00 H new ATOM 978 N LEU A 63 -8.742 -2.584 -7.929 1.00 0.00 N ATOM 979 CA LEU A 63 -7.820 -1.827 -8.773 1.00 0.00 C ATOM 980 C LEU A 63 -6.826 -2.747 -9.484 1.00 0.00 C ATOM 981 O LEU A 63 -6.064 -2.298 -10.341 1.00 0.00 O ATOM 982 CB LEU A 63 -7.064 -0.787 -7.939 1.00 0.00 C ATOM 983 CG LEU A 63 -7.937 0.307 -7.320 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.109 1.207 -6.418 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.618 1.127 -8.407 1.00 0.00 C ATOM 0 H LEU A 63 -8.524 -2.553 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.412 -1.317 -9.533 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.532 -1.302 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.311 -0.316 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.707 -0.172 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.748 1.978 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.668 0.613 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.316 1.676 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.234 1.900 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.862 1.594 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.246 0.476 -9.015 1.00 0.00 H new ATOM 997 N ASN A 64 -6.857 -4.030 -9.124 1.00 0.00 N ATOM 998 CA ASN A 64 -5.968 -5.042 -9.706 1.00 0.00 C ATOM 999 C ASN A 64 -4.515 -4.794 -9.302 1.00 0.00 C ATOM 1000 O ASN A 64 -3.750 -4.156 -10.024 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.102 -5.095 -11.238 1.00 0.00 C ATOM 1002 CG ASN A 64 -5.209 -6.146 -11.882 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -4.078 -5.863 -12.281 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.716 -7.363 -12.000 1.00 0.00 N ATOM 0 H ASN A 64 -7.498 -4.399 -8.421 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.273 -6.010 -9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.140 -5.301 -11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.857 -4.117 -11.652 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.166 -8.105 -12.433 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.657 -7.559 -11.657 1.00 0.00 H new ATOM 1011 N PRO A 65 -4.138 -5.254 -8.103 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.781 -5.156 -7.607 1.00 0.00 C ATOM 1013 C PRO A 65 -1.974 -6.439 -7.819 1.00 0.00 C ATOM 1014 O PRO A 65 -2.496 -7.551 -7.690 1.00 0.00 O ATOM 1015 CB PRO A 65 -3.007 -4.904 -6.117 1.00 0.00 C ATOM 1016 CG PRO A 65 -4.320 -5.561 -5.792 1.00 0.00 C ATOM 1017 CD PRO A 65 -5.016 -5.866 -7.100 1.00 0.00 C ATOM 0 HA PRO A 65 -2.203 -4.387 -8.120 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.199 -5.327 -5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.038 -3.836 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.159 -6.476 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.934 -4.905 -5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.121 -6.939 -7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.019 -5.440 -7.130 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.705 -6.282 -8.156 1.00 0.00 N ATOM 1026 CA ALA A 66 0.202 -7.414 -8.258 1.00 0.00 C ATOM 1027 C ALA A 66 1.026 -7.519 -6.983 1.00 0.00 C ATOM 1028 O ALA A 66 1.348 -8.614 -6.513 1.00 0.00 O ATOM 1029 CB ALA A 66 1.105 -7.273 -9.475 1.00 0.00 C ATOM 0 H ALA A 66 -0.278 -5.379 -8.364 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.380 -8.327 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.775 -8.131 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.495 -7.229 -10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.692 -6.359 -9.388 1.00 0.00 H new ATOM 1035 N VAL A 67 1.353 -6.363 -6.424 1.00 0.00 N ATOM 1036 CA VAL A 67 2.068 -6.284 -5.164 1.00 0.00 C ATOM 1037 C VAL A 67 1.547 -5.100 -4.353 1.00 0.00 C ATOM 1038 O VAL A 67 1.372 -3.999 -4.881 1.00 0.00 O ATOM 1039 CB VAL A 67 3.599 -6.167 -5.378 1.00 0.00 C ATOM 1040 CG1 VAL A 67 3.951 -4.948 -6.216 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.330 -6.135 -4.043 1.00 0.00 C ATOM 0 H VAL A 67 1.129 -5.456 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 67 1.890 -7.207 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 67 3.925 -7.051 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.032 -4.896 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.471 -5.026 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.603 -4.047 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.403 -6.053 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.990 -5.277 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.121 -7.052 -3.492 1.00 0.00 H new ATOM 1051 N ILE A 68 1.257 -5.340 -3.086 1.00 0.00 N ATOM 1052 CA ILE A 68 0.713 -4.313 -2.217 1.00 0.00 C ATOM 1053 C ILE A 68 1.693 -3.993 -1.096 1.00 0.00 C ATOM 1054 O ILE A 68 2.154 -4.888 -0.383 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.638 -4.755 -1.609 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.598 -5.198 -2.716 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -1.252 -3.622 -0.796 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.897 -5.780 -2.203 1.00 0.00 C ATOM 0 H ILE A 68 1.391 -6.245 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 68 0.548 -3.421 -2.821 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.460 -5.600 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.821 -4.343 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.100 -5.940 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.202 -3.950 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.574 -3.345 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.419 -2.760 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.524 -6.070 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.686 -6.656 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.418 -5.034 -1.603 1.00 0.00 H new ATOM 1070 N LEU A 69 2.014 -2.720 -0.951 1.00 0.00 N ATOM 1071 CA LEU A 69 2.934 -2.276 0.080 1.00 0.00 C ATOM 1072 C LEU A 69 2.193 -1.458 1.123 1.00 0.00 C ATOM 1073 O LEU A 69 1.593 -0.430 0.805 1.00 0.00 O ATOM 1074 CB LEU A 69 4.065 -1.441 -0.525 1.00 0.00 C ATOM 1075 CG LEU A 69 4.949 -2.165 -1.542 1.00 0.00 C ATOM 1076 CD1 LEU A 69 5.990 -1.213 -2.111 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.628 -3.366 -0.903 1.00 0.00 C ATOM 0 H LEU A 69 1.648 -1.971 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 69 3.367 -3.157 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.629 -0.566 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.697 -1.077 0.285 1.00 0.00 H new ATOM 0 HG LEU A 69 4.316 -2.519 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.611 -1.743 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.490 -0.380 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.616 -0.833 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.252 -3.867 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.248 -3.033 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.871 -4.060 -0.537 1.00 0.00 H new ATOM 1089 N LEU A 70 2.218 -1.925 2.357 1.00 0.00 N ATOM 1090 CA LEU A 70 1.588 -1.215 3.456 1.00 0.00 C ATOM 1091 C LEU A 70 2.628 -0.426 4.229 1.00 0.00 C ATOM 1092 O LEU A 70 3.632 -0.981 4.667 1.00 0.00 O ATOM 1093 CB LEU A 70 0.875 -2.190 4.400 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.588 -2.503 4.064 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.436 -1.242 4.138 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.709 -3.140 2.692 1.00 0.00 C ATOM 0 H LEU A 70 2.671 -2.799 2.625 1.00 0.00 H new ATOM 0 HA LEU A 70 0.848 -0.531 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.433 -3.126 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.916 -1.782 5.410 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.956 -3.215 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.471 -1.485 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.386 -0.828 5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.060 -0.508 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.757 -3.351 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.317 -2.457 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.140 -4.070 2.671 1.00 0.00 H new ATOM 1108 N GLY A 71 2.401 0.867 4.366 1.00 0.00 N ATOM 1109 CA GLY A 71 3.277 1.692 5.167 1.00 0.00 C ATOM 1110 C GLY A 71 2.565 2.213 6.392 1.00 0.00 C ATOM 1111 O GLY A 71 1.750 3.127 6.295 1.00 0.00 O ATOM 0 H GLY A 71 1.621 1.364 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.150 1.114 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.640 2.529 4.570 1.00 0.00 H new ATOM 1115 N THR A 72 2.839 1.623 7.542 1.00 0.00 N ATOM 1116 CA THR A 72 2.166 2.018 8.767 1.00 0.00 C ATOM 1117 C THR A 72 3.037 2.948 9.608 1.00 0.00 C ATOM 1118 O THR A 72 3.485 2.590 10.698 1.00 0.00 O ATOM 1119 CB THR A 72 1.745 0.787 9.594 1.00 0.00 C ATOM 1120 OG1 THR A 72 2.852 -0.111 9.746 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.590 0.058 8.925 1.00 0.00 C ATOM 0 H THR A 72 3.520 0.872 7.654 1.00 0.00 H new ATOM 0 HA THR A 72 1.267 2.563 8.479 1.00 0.00 H new ATOM 0 HB THR A 72 1.422 1.134 10.576 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.394 0.165 10.514 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.309 -0.807 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.263 0.731 8.837 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.895 -0.273 7.932 1.00 0.00 H new ATOM 1129 N GLY A 73 3.274 4.148 9.091 1.00 0.00 N ATOM 1130 CA GLY A 73 4.095 5.114 9.796 1.00 0.00 C ATOM 1131 C GLY A 73 5.522 4.635 9.987 1.00 0.00 C ATOM 1132 O GLY A 73 6.161 4.180 9.039 1.00 0.00 O ATOM 0 H GLY A 73 2.911 4.470 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.101 6.053 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.651 5.321 10.770 1.00 0.00 H new ATOM 1136 N GLU A 74 6.017 4.737 11.214 1.00 0.00 N ATOM 1137 CA GLU A 74 7.366 4.287 11.546 1.00 0.00 C ATOM 1138 C GLU A 74 7.289 3.171 12.593 1.00 0.00 C ATOM 1139 O GLU A 74 8.163 3.017 13.449 1.00 0.00 O ATOM 1140 CB GLU A 74 8.212 5.474 12.042 1.00 0.00 C ATOM 1141 CG GLU A 74 9.680 5.147 12.308 1.00 0.00 C ATOM 1142 CD GLU A 74 10.368 4.467 11.138 1.00 0.00 C ATOM 1143 OE1 GLU A 74 10.853 5.173 10.230 1.00 0.00 O ATOM 1144 OE2 GLU A 74 10.440 3.221 11.128 1.00 0.00 O ATOM 0 H GLU A 74 5.502 5.130 12.002 1.00 0.00 H new ATOM 0 HA GLU A 74 7.851 3.886 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.161 6.273 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.768 5.860 12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.212 6.068 12.547 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.748 4.502 13.184 1.00 0.00 H new ATOM 1151 N ARG A 75 6.232 2.379 12.510 1.00 0.00 N ATOM 1152 CA ARG A 75 6.070 1.234 13.389 1.00 0.00 C ATOM 1153 C ARG A 75 5.407 0.094 12.636 1.00 0.00 C ATOM 1154 O ARG A 75 4.411 0.296 11.944 1.00 0.00 O ATOM 1155 CB ARG A 75 5.246 1.605 14.624 1.00 0.00 C ATOM 1156 CG ARG A 75 5.091 0.458 15.605 1.00 0.00 C ATOM 1157 CD ARG A 75 4.323 0.876 16.842 1.00 0.00 C ATOM 1158 NE ARG A 75 4.155 -0.234 17.774 1.00 0.00 N ATOM 1159 CZ ARG A 75 3.720 -0.094 19.024 1.00 0.00 C ATOM 1160 NH1 ARG A 75 3.463 1.114 19.512 1.00 0.00 N ATOM 1161 NH2 ARG A 75 3.559 -1.160 19.794 1.00 0.00 N ATOM 0 H ARG A 75 5.473 2.509 11.841 1.00 0.00 H new ATOM 0 HA ARG A 75 7.056 0.914 13.725 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.720 2.446 15.130 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.258 1.940 14.307 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.574 -0.369 15.118 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.076 0.092 15.895 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.849 1.692 17.338 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.345 1.258 16.551 1.00 0.00 H new ATOM 0 HE ARG A 75 4.385 -1.173 17.448 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.599 1.939 18.928 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.130 1.217 20.471 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.769 -2.089 19.429 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.226 -1.052 20.752 1.00 0.00 H new ATOM 1175 N GLN A 76 5.959 -1.097 12.772 1.00 0.00 N ATOM 1176 CA GLN A 76 5.458 -2.251 12.048 1.00 0.00 C ATOM 1177 C GLN A 76 4.240 -2.830 12.765 1.00 0.00 C ATOM 1178 O GLN A 76 4.246 -2.996 13.989 1.00 0.00 O ATOM 1179 CB GLN A 76 6.557 -3.310 11.921 1.00 0.00 C ATOM 1180 CG GLN A 76 6.627 -3.966 10.550 1.00 0.00 C ATOM 1181 CD GLN A 76 5.302 -4.554 10.115 1.00 0.00 C ATOM 1182 OE1 GLN A 76 4.499 -3.887 9.466 1.00 0.00 O ATOM 1183 NE2 GLN A 76 5.055 -5.800 10.483 1.00 0.00 N ATOM 0 H GLN A 76 6.756 -1.291 13.378 1.00 0.00 H new ATOM 0 HA GLN A 76 5.158 -1.940 11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.520 -2.849 12.141 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.393 -4.081 12.674 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.951 -3.229 9.815 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.381 -4.753 10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.748 -6.320 11.021 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.171 -6.241 10.228 1.00 0.00 H new ATOM 1192 N GLN A 77 3.196 -3.121 12.003 1.00 0.00 N ATOM 1193 CA GLN A 77 1.969 -3.675 12.555 1.00 0.00 C ATOM 1194 C GLN A 77 1.638 -4.993 11.864 1.00 0.00 C ATOM 1195 O GLN A 77 2.156 -5.284 10.789 1.00 0.00 O ATOM 1196 CB GLN A 77 0.810 -2.686 12.383 1.00 0.00 C ATOM 1197 CG GLN A 77 1.032 -1.353 13.083 1.00 0.00 C ATOM 1198 CD GLN A 77 -0.088 -0.360 12.833 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -1.244 -0.734 12.636 1.00 0.00 O ATOM 1200 NE2 GLN A 77 0.249 0.921 12.841 1.00 0.00 N ATOM 0 H GLN A 77 3.175 -2.981 10.993 1.00 0.00 H new ATOM 0 HA GLN A 77 2.115 -3.857 13.620 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.653 -2.506 11.320 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.103 -3.140 12.767 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.127 -1.523 14.155 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.974 -0.923 12.744 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.218 1.192 13.008 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.460 1.636 12.680 1.00 0.00 H new ATOM 1209 N PHE A 78 0.779 -5.791 12.478 1.00 0.00 N ATOM 1210 CA PHE A 78 0.392 -7.066 11.895 1.00 0.00 C ATOM 1211 C PHE A 78 -0.959 -6.942 11.194 1.00 0.00 C ATOM 1212 O PHE A 78 -1.942 -6.499 11.790 1.00 0.00 O ATOM 1213 CB PHE A 78 0.368 -8.176 12.959 1.00 0.00 C ATOM 1214 CG PHE A 78 -0.534 -7.907 14.135 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -0.112 -7.103 15.182 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.801 -8.468 14.196 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -0.935 -6.861 16.265 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -2.629 -8.230 15.275 1.00 0.00 C ATOM 1219 CZ PHE A 78 -2.195 -7.425 16.312 1.00 0.00 C ATOM 0 H PHE A 78 0.339 -5.581 13.374 1.00 0.00 H new ATOM 0 HA PHE A 78 1.138 -7.344 11.150 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.056 -9.107 12.485 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.383 -8.330 13.326 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.873 -6.660 15.151 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.144 -9.099 13.389 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.594 -6.232 17.074 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.614 -8.672 15.309 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.840 -7.237 17.158 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.009 -7.294 9.901 1.00 0.00 N ATOM 1230 CA PRO A 79 -2.241 -7.242 9.112 1.00 0.00 C ATOM 1231 C PRO A 79 -3.309 -8.186 9.651 1.00 0.00 C ATOM 1232 O PRO A 79 -2.997 -9.252 10.186 1.00 0.00 O ATOM 1233 CB PRO A 79 -1.801 -7.682 7.708 1.00 0.00 C ATOM 1234 CG PRO A 79 -0.320 -7.514 7.691 1.00 0.00 C ATOM 1235 CD PRO A 79 0.136 -7.755 9.101 1.00 0.00 C ATOM 0 HA PRO A 79 -2.691 -6.250 9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.082 -8.717 7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.275 -7.073 6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.146 -8.220 7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.044 -6.514 7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.356 -8.807 9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.042 -7.196 9.333 1.00 0.00 H new ATOM 1243 N SER A 80 -4.564 -7.784 9.516 1.00 0.00 N ATOM 1244 CA SER A 80 -5.683 -8.596 9.963 1.00 0.00 C ATOM 1245 C SER A 80 -5.737 -9.911 9.187 1.00 0.00 C ATOM 1246 O SER A 80 -5.404 -9.957 7.998 1.00 0.00 O ATOM 1247 CB SER A 80 -6.982 -7.813 9.782 1.00 0.00 C ATOM 1248 OG SER A 80 -6.861 -6.506 10.326 1.00 0.00 O ATOM 0 H SER A 80 -4.833 -6.894 9.097 1.00 0.00 H new ATOM 0 HA SER A 80 -5.552 -8.834 11.019 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.230 -7.750 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.801 -8.341 10.270 1.00 0.00 H new ATOM 0 HG SER A 80 -7.677 -6.281 10.820 1.00 0.00 H new ATOM 1254 N THR A 81 -6.156 -10.973 9.864 1.00 0.00 N ATOM 1255 CA THR A 81 -6.218 -12.304 9.273 1.00 0.00 C ATOM 1256 C THR A 81 -7.119 -12.343 8.038 1.00 0.00 C ATOM 1257 O THR A 81 -6.885 -13.124 7.114 1.00 0.00 O ATOM 1258 CB THR A 81 -6.712 -13.317 10.319 1.00 0.00 C ATOM 1259 OG1 THR A 81 -7.584 -12.655 11.247 1.00 0.00 O ATOM 1260 CG2 THR A 81 -5.544 -13.940 11.068 1.00 0.00 C ATOM 0 H THR A 81 -6.462 -10.936 10.836 1.00 0.00 H new ATOM 0 HA THR A 81 -5.211 -12.569 8.950 1.00 0.00 H new ATOM 0 HB THR A 81 -7.251 -14.113 9.805 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.075 -12.389 12.041 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.921 -14.653 11.802 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.893 -14.456 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.980 -13.159 11.577 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.137 -11.487 8.027 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.048 -11.378 6.888 1.00 0.00 C ATOM 1270 C ASP A 82 -8.288 -10.983 5.626 1.00 0.00 C ATOM 1271 O ASP A 82 -8.497 -11.554 4.555 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.139 -10.343 7.178 1.00 0.00 C ATOM 1273 CG ASP A 82 -10.958 -10.689 8.402 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -10.482 -10.436 9.527 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -12.076 -11.223 8.249 1.00 0.00 O ATOM 0 H ASP A 82 -8.354 -10.855 8.798 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.511 -12.352 6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.679 -9.365 7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.799 -10.264 6.314 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.391 -10.014 5.767 1.00 0.00 N ATOM 1281 CA VAL A 83 -6.585 -9.545 4.647 1.00 0.00 C ATOM 1282 C VAL A 83 -5.600 -10.623 4.217 1.00 0.00 C ATOM 1283 O VAL A 83 -5.391 -10.849 3.026 1.00 0.00 O ATOM 1284 CB VAL A 83 -5.811 -8.260 5.008 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -5.017 -7.752 3.814 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -6.761 -7.187 5.511 1.00 0.00 C ATOM 0 H VAL A 83 -7.203 -9.537 6.649 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.265 -9.320 3.825 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.109 -8.501 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.480 -6.845 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.304 -8.514 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.698 -7.532 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.196 -6.289 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.490 -6.954 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.280 -7.548 6.399 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.011 -11.298 5.202 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.053 -12.368 4.942 1.00 0.00 C ATOM 1298 C LEU A 84 -4.690 -13.467 4.100 1.00 0.00 C ATOM 1299 O LEU A 84 -4.076 -13.984 3.167 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.537 -12.954 6.260 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.776 -11.976 7.157 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.366 -12.656 8.452 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.559 -11.422 6.431 1.00 0.00 C ATOM 0 H LEU A 84 -5.182 -11.121 6.192 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.214 -11.946 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.385 -13.350 6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.884 -13.797 6.033 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.436 -11.143 7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.826 -11.948 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.255 -13.002 8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.723 -13.507 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.030 -10.728 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.894 -12.241 6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.880 -10.899 5.530 1.00 0.00 H new ATOM 1315 N ALA A 85 -5.931 -13.806 4.430 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.666 -14.831 3.700 1.00 0.00 C ATOM 1317 C ALA A 85 -6.833 -14.441 2.235 1.00 0.00 C ATOM 1318 O ALA A 85 -6.532 -15.229 1.337 1.00 0.00 O ATOM 1319 CB ALA A 85 -8.022 -15.071 4.345 1.00 0.00 C ATOM 0 H ALA A 85 -6.450 -13.385 5.200 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.092 -15.757 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.559 -15.839 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.882 -15.400 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.598 -14.146 4.335 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.297 -13.217 1.998 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.494 -12.719 0.640 1.00 0.00 C ATOM 1327 C ALA A 86 -6.168 -12.657 -0.113 1.00 0.00 C ATOM 1328 O ALA A 86 -6.089 -13.030 -1.288 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.151 -11.347 0.670 1.00 0.00 C ATOM 0 H ALA A 86 -7.544 -12.551 2.730 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.152 -13.411 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.292 -10.989 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.119 -11.418 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.514 -10.650 1.215 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.135 -12.191 0.579 1.00 0.00 N ATOM 1336 CA CYS A 87 -3.789 -12.103 0.025 1.00 0.00 C ATOM 1337 C CYS A 87 -3.313 -13.457 -0.495 1.00 0.00 C ATOM 1338 O CYS A 87 -2.964 -13.595 -1.671 1.00 0.00 O ATOM 1339 CB CYS A 87 -2.827 -11.586 1.102 1.00 0.00 C ATOM 1340 SG CYS A 87 -1.074 -11.794 0.712 1.00 0.00 S ATOM 0 H CYS A 87 -5.207 -11.863 1.542 1.00 0.00 H new ATOM 0 HA CYS A 87 -3.807 -11.410 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.025 -10.527 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.041 -12.101 2.038 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.885 -11.589 -0.558 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.329 -14.454 0.379 1.00 0.00 N ATOM 1347 CA LEU A 88 -2.800 -15.775 0.056 1.00 0.00 C ATOM 1348 C LEU A 88 -3.658 -16.490 -0.982 1.00 0.00 C ATOM 1349 O LEU A 88 -3.137 -17.177 -1.859 1.00 0.00 O ATOM 1350 CB LEU A 88 -2.707 -16.627 1.322 1.00 0.00 C ATOM 1351 CG LEU A 88 -1.820 -16.052 2.426 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -1.869 -16.938 3.659 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -0.389 -15.900 1.933 1.00 0.00 C ATOM 0 H LEU A 88 -3.705 -14.373 1.324 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.806 -15.636 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.711 -16.768 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.330 -17.613 1.051 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.197 -15.065 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.232 -16.515 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.895 -16.998 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.515 -17.937 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.229 -15.489 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.000 -16.875 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.369 -15.227 1.076 1.00 0.00 H new ATOM 1365 N THR A 89 -4.968 -16.324 -0.882 1.00 0.00 N ATOM 1366 CA THR A 89 -5.889 -17.011 -1.775 1.00 0.00 C ATOM 1367 C THR A 89 -5.758 -16.513 -3.215 1.00 0.00 C ATOM 1368 O THR A 89 -5.804 -17.303 -4.159 1.00 0.00 O ATOM 1369 CB THR A 89 -7.346 -16.852 -1.300 1.00 0.00 C ATOM 1370 OG1 THR A 89 -7.465 -17.334 0.046 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.308 -17.615 -2.200 1.00 0.00 C ATOM 0 H THR A 89 -5.417 -15.721 -0.193 1.00 0.00 H new ATOM 0 HA THR A 89 -5.623 -18.068 -1.752 1.00 0.00 H new ATOM 0 HB THR A 89 -7.606 -15.794 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.118 -16.660 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.328 -17.483 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.232 -17.235 -3.219 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.054 -18.675 -2.189 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.585 -15.210 -3.389 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.485 -14.649 -4.728 1.00 0.00 C ATOM 1381 C ARG A 90 -4.048 -14.665 -5.232 1.00 0.00 C ATOM 1382 O ARG A 90 -3.811 -14.710 -6.437 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.044 -13.228 -4.779 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.531 -13.147 -4.470 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.189 -12.013 -5.235 1.00 0.00 C ATOM 1386 NE ARG A 90 -8.133 -12.239 -6.679 1.00 0.00 N ATOM 1387 CZ ARG A 90 -8.208 -11.278 -7.596 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -8.335 -10.008 -7.225 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -8.149 -11.591 -8.883 1.00 0.00 N ATOM 0 H ARG A 90 -5.512 -14.531 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.086 -15.279 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.499 -12.607 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.864 -12.811 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.011 -14.091 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.675 -12.999 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.228 -11.915 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.693 -11.073 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.029 -13.200 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.375 -9.768 -6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.392 -9.274 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.047 -12.565 -9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.206 -10.857 -9.589 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.094 -14.637 -4.313 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.698 -14.664 -4.701 1.00 0.00 C ATOM 1405 C GLY A 91 -1.165 -13.278 -4.994 1.00 0.00 C ATOM 1406 O GLY A 91 -0.572 -13.035 -6.046 1.00 0.00 O ATOM 0 H GLY A 91 -3.261 -14.596 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.109 -15.118 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.579 -15.292 -5.584 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.394 -12.362 -4.069 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.922 -10.996 -4.215 1.00 0.00 C ATOM 1412 C ILE A 92 0.052 -10.671 -3.093 1.00 0.00 C ATOM 1413 O ILE A 92 -0.288 -10.814 -1.921 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.091 -9.985 -4.188 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.154 -10.367 -5.224 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.576 -8.574 -4.449 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.389 -9.488 -5.186 1.00 0.00 C ATOM 0 H ILE A 92 -1.906 -12.541 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.424 -10.914 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.549 -10.010 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.713 -10.315 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.451 -11.403 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.410 -7.872 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.853 -8.302 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.096 -8.537 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.095 -9.820 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.855 -9.558 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.105 -8.454 -5.380 1.00 0.00 H new ATOM 1429 N GLY A 93 1.261 -10.257 -3.455 1.00 0.00 N ATOM 1430 CA GLY A 93 2.266 -9.932 -2.458 1.00 0.00 C ATOM 1431 C GLY A 93 1.802 -8.839 -1.517 1.00 0.00 C ATOM 1432 O GLY A 93 1.343 -7.790 -1.960 1.00 0.00 O ATOM 0 H GLY A 93 1.564 -10.140 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.508 -10.826 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.182 -9.616 -2.957 1.00 0.00 H new ATOM 1436 N LEU A 94 1.912 -9.089 -0.223 1.00 0.00 N ATOM 1437 CA LEU A 94 1.451 -8.143 0.782 1.00 0.00 C ATOM 1438 C LEU A 94 2.562 -7.855 1.780 1.00 0.00 C ATOM 1439 O LEU A 94 2.810 -8.646 2.691 1.00 0.00 O ATOM 1440 CB LEU A 94 0.226 -8.703 1.509 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.413 -7.768 2.537 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -1.067 -6.583 1.845 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.427 -8.522 3.382 1.00 0.00 C ATOM 0 H LEU A 94 2.318 -9.943 0.159 1.00 0.00 H new ATOM 0 HA LEU A 94 1.173 -7.213 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.527 -8.967 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.514 -9.626 2.012 1.00 0.00 H new ATOM 0 HG LEU A 94 0.370 -7.390 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.517 -5.928 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.315 -6.030 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.839 -6.940 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.872 -7.842 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.208 -8.927 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.929 -9.338 3.906 1.00 0.00 H new ATOM 1455 N GLU A 95 3.247 -6.740 1.595 1.00 0.00 N ATOM 1456 CA GLU A 95 4.363 -6.388 2.455 1.00 0.00 C ATOM 1457 C GLU A 95 3.992 -5.246 3.389 1.00 0.00 C ATOM 1458 O GLU A 95 3.782 -4.115 2.950 1.00 0.00 O ATOM 1459 CB GLU A 95 5.584 -6.000 1.619 1.00 0.00 C ATOM 1460 CG GLU A 95 6.125 -7.136 0.767 1.00 0.00 C ATOM 1461 CD GLU A 95 6.523 -8.338 1.596 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.533 -8.256 2.326 1.00 0.00 O ATOM 1463 OE2 GLU A 95 5.832 -9.374 1.523 1.00 0.00 O ATOM 0 H GLU A 95 3.050 -6.063 0.858 1.00 0.00 H new ATOM 0 HA GLU A 95 4.609 -7.263 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.319 -5.165 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.373 -5.649 2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.369 -7.433 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.989 -6.784 0.203 1.00 0.00 H new ATOM 1470 N ALA A 96 3.895 -5.550 4.675 1.00 0.00 N ATOM 1471 CA ALA A 96 3.641 -4.534 5.680 1.00 0.00 C ATOM 1472 C ALA A 96 4.960 -4.016 6.237 1.00 0.00 C ATOM 1473 O ALA A 96 5.735 -4.773 6.827 1.00 0.00 O ATOM 1474 CB ALA A 96 2.763 -5.087 6.792 1.00 0.00 C ATOM 0 H ALA A 96 3.989 -6.496 5.046 1.00 0.00 H new ATOM 0 HA ALA A 96 3.109 -3.704 5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.584 -4.310 7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.811 -5.416 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.263 -5.932 7.264 1.00 0.00 H new ATOM 1480 N MET A 97 5.220 -2.736 6.019 1.00 0.00 N ATOM 1481 CA MET A 97 6.457 -2.106 6.455 1.00 0.00 C ATOM 1482 C MET A 97 6.186 -0.686 6.929 1.00 0.00 C ATOM 1483 O MET A 97 5.040 -0.293 7.146 1.00 0.00 O ATOM 1484 CB MET A 97 7.479 -2.067 5.308 1.00 0.00 C ATOM 1485 CG MET A 97 7.977 -3.432 4.861 1.00 0.00 C ATOM 1486 SD MET A 97 9.196 -3.323 3.532 1.00 0.00 S ATOM 1487 CE MET A 97 8.221 -2.575 2.230 1.00 0.00 C ATOM 0 H MET A 97 4.581 -2.105 5.536 1.00 0.00 H new ATOM 0 HA MET A 97 6.864 -2.695 7.277 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.029 -1.561 4.454 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.334 -1.467 5.620 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.418 -3.951 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.131 -4.032 4.525 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.806 -2.542 1.311 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.320 -3.165 2.065 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.943 -1.562 2.520 1.00 0.00 H new ATOM 1497 N THR A 98 7.252 0.075 7.095 1.00 0.00 N ATOM 1498 CA THR A 98 7.147 1.478 7.444 1.00 0.00 C ATOM 1499 C THR A 98 7.129 2.331 6.181 1.00 0.00 C ATOM 1500 O THR A 98 7.411 1.831 5.088 1.00 0.00 O ATOM 1501 CB THR A 98 8.326 1.900 8.328 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.559 1.558 7.676 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.250 1.215 9.683 1.00 0.00 C ATOM 0 H THR A 98 8.210 -0.261 6.992 1.00 0.00 H new ATOM 0 HA THR A 98 6.219 1.627 7.995 1.00 0.00 H new ATOM 0 HB THR A 98 8.282 2.978 8.484 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.313 1.829 8.240 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.095 1.527 10.296 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.320 1.492 10.179 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.280 0.134 9.546 1.00 0.00 H new ATOM 1511 N ASN A 99 6.816 3.612 6.330 1.00 0.00 N ATOM 1512 CA ASN A 99 6.766 4.516 5.186 1.00 0.00 C ATOM 1513 C ASN A 99 8.143 4.642 4.542 1.00 0.00 C ATOM 1514 O ASN A 99 8.267 4.672 3.316 1.00 0.00 O ATOM 1515 CB ASN A 99 6.257 5.905 5.593 1.00 0.00 C ATOM 1516 CG ASN A 99 4.834 5.883 6.119 1.00 0.00 C ATOM 1517 OD1 ASN A 99 4.060 4.983 5.816 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.472 6.889 6.899 1.00 0.00 N ATOM 0 H ASN A 99 6.594 4.047 7.225 1.00 0.00 H new ATOM 0 HA ASN A 99 6.069 4.092 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.915 6.318 6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.310 6.572 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.522 6.932 7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.143 7.621 7.131 1.00 0.00 H new ATOM 1525 N ALA A 100 9.174 4.695 5.378 1.00 0.00 N ATOM 1526 CA ALA A 100 10.545 4.808 4.898 1.00 0.00 C ATOM 1527 C ALA A 100 10.971 3.549 4.150 1.00 0.00 C ATOM 1528 O ALA A 100 11.590 3.625 3.089 1.00 0.00 O ATOM 1529 CB ALA A 100 11.490 5.077 6.059 1.00 0.00 C ATOM 0 H ALA A 100 9.085 4.661 6.394 1.00 0.00 H new ATOM 0 HA ALA A 100 10.592 5.646 4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.511 5.159 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.207 6.008 6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.430 4.257 6.774 1.00 0.00 H new ATOM 1535 N ALA A 101 10.621 2.392 4.700 1.00 0.00 N ATOM 1536 CA ALA A 101 10.988 1.119 4.092 1.00 0.00 C ATOM 1537 C ALA A 101 10.235 0.902 2.785 1.00 0.00 C ATOM 1538 O ALA A 101 10.801 0.408 1.806 1.00 0.00 O ATOM 1539 CB ALA A 101 10.722 -0.026 5.056 1.00 0.00 C ATOM 0 H ALA A 101 10.085 2.309 5.564 1.00 0.00 H new ATOM 0 HA ALA A 101 12.054 1.145 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.001 -0.969 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.311 0.117 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.663 -0.048 5.312 1.00 0.00 H new ATOM 1545 N ALA A 102 8.963 1.284 2.770 1.00 0.00 N ATOM 1546 CA ALA A 102 8.134 1.134 1.582 1.00 0.00 C ATOM 1547 C ALA A 102 8.635 2.024 0.451 1.00 0.00 C ATOM 1548 O ALA A 102 8.556 1.655 -0.719 1.00 0.00 O ATOM 1549 CB ALA A 102 6.682 1.450 1.905 1.00 0.00 C ATOM 0 H ALA A 102 8.484 1.700 3.568 1.00 0.00 H new ATOM 0 HA ALA A 102 8.200 0.098 1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.076 1.333 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.324 0.768 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.604 2.476 2.264 1.00 0.00 H new ATOM 1555 N ALA A 103 9.164 3.189 0.811 1.00 0.00 N ATOM 1556 CA ALA A 103 9.691 4.131 -0.169 1.00 0.00 C ATOM 1557 C ALA A 103 10.851 3.526 -0.955 1.00 0.00 C ATOM 1558 O ALA A 103 10.968 3.736 -2.164 1.00 0.00 O ATOM 1559 CB ALA A 103 10.129 5.419 0.513 1.00 0.00 C ATOM 0 H ALA A 103 9.239 3.504 1.778 1.00 0.00 H new ATOM 0 HA ALA A 103 8.892 4.359 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.520 6.111 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.275 5.872 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.906 5.197 1.245 1.00 0.00 H new ATOM 1565 N ARG A 104 11.697 2.762 -0.267 1.00 0.00 N ATOM 1566 CA ARG A 104 12.849 2.136 -0.911 1.00 0.00 C ATOM 1567 C ARG A 104 12.392 1.125 -1.958 1.00 0.00 C ATOM 1568 O ARG A 104 12.900 1.098 -3.076 1.00 0.00 O ATOM 1569 CB ARG A 104 13.743 1.425 0.108 1.00 0.00 C ATOM 1570 CG ARG A 104 14.145 2.272 1.303 1.00 0.00 C ATOM 1571 CD ARG A 104 15.317 1.650 2.051 1.00 0.00 C ATOM 1572 NE ARG A 104 15.181 0.197 2.191 1.00 0.00 N ATOM 1573 CZ ARG A 104 16.136 -0.602 2.671 1.00 0.00 C ATOM 1574 NH1 ARG A 104 17.279 -0.090 3.114 1.00 0.00 N ATOM 1575 NH2 ARG A 104 15.944 -1.915 2.700 1.00 0.00 N ATOM 0 H ARG A 104 11.608 2.563 0.729 1.00 0.00 H new ATOM 0 HA ARG A 104 13.422 2.930 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.224 0.537 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 104 14.646 1.084 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.415 3.273 0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 104 13.296 2.380 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 104 16.243 1.877 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.395 2.102 3.040 1.00 0.00 H new ATOM 0 HE ARG A 104 14.301 -0.230 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 104 17.430 0.918 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 104 18.006 -0.705 3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 104 15.069 -2.310 2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 104 16.672 -2.529 3.066 1.00 0.00 H new ATOM 1589 N THR A 105 11.427 0.299 -1.588 1.00 0.00 N ATOM 1590 CA THR A 105 10.903 -0.712 -2.490 1.00 0.00 C ATOM 1591 C THR A 105 10.119 -0.057 -3.627 1.00 0.00 C ATOM 1592 O THR A 105 10.105 -0.549 -4.758 1.00 0.00 O ATOM 1593 CB THR A 105 9.991 -1.689 -1.725 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.610 -2.050 -0.481 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.726 -2.945 -2.541 1.00 0.00 C ATOM 0 H THR A 105 10.990 0.309 -0.666 1.00 0.00 H new ATOM 0 HA THR A 105 11.743 -1.265 -2.912 1.00 0.00 H new ATOM 0 HB THR A 105 9.039 -1.193 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.333 -2.955 -0.228 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.079 -3.616 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.238 -2.674 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.670 -3.446 -2.755 1.00 0.00 H new ATOM 1603 N TYR A 106 9.495 1.074 -3.318 1.00 0.00 N ATOM 1604 CA TYR A 106 8.674 1.801 -4.275 1.00 0.00 C ATOM 1605 C TYR A 106 9.498 2.301 -5.464 1.00 0.00 C ATOM 1606 O TYR A 106 9.079 2.152 -6.612 1.00 0.00 O ATOM 1607 CB TYR A 106 7.977 2.971 -3.575 1.00 0.00 C ATOM 1608 CG TYR A 106 7.182 3.866 -4.499 1.00 0.00 C ATOM 1609 CD1 TYR A 106 6.118 3.368 -5.242 1.00 0.00 C ATOM 1610 CD2 TYR A 106 7.496 5.211 -4.621 1.00 0.00 C ATOM 1611 CE1 TYR A 106 5.392 4.190 -6.084 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.775 6.037 -5.458 1.00 0.00 C ATOM 1613 CZ TYR A 106 5.727 5.524 -6.188 1.00 0.00 C ATOM 1614 OH TYR A 106 5.011 6.350 -7.020 1.00 0.00 O ATOM 0 H TYR A 106 9.545 1.511 -2.398 1.00 0.00 H new ATOM 0 HA TYR A 106 7.923 1.115 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.310 2.575 -2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.728 3.573 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.855 2.324 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.318 5.618 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.568 3.790 -6.656 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.032 7.083 -5.540 1.00 0.00 H new ATOM 0 HH TYR A 106 5.377 7.258 -6.974 1.00 0.00 H new ATOM 1624 N ASN A 107 10.672 2.875 -5.198 1.00 0.00 N ATOM 1625 CA ASN A 107 11.502 3.420 -6.272 1.00 0.00 C ATOM 1626 C ASN A 107 11.976 2.305 -7.204 1.00 0.00 C ATOM 1627 O ASN A 107 12.230 2.536 -8.386 1.00 0.00 O ATOM 1628 CB ASN A 107 12.701 4.208 -5.709 1.00 0.00 C ATOM 1629 CG ASN A 107 14.005 3.421 -5.696 1.00 0.00 C ATOM 1630 OD1 ASN A 107 14.324 2.743 -4.722 1.00 0.00 O ATOM 1631 ND2 ASN A 107 14.784 3.534 -6.764 1.00 0.00 N ATOM 0 H ASN A 107 11.065 2.974 -4.262 1.00 0.00 H new ATOM 0 HA ASN A 107 10.890 4.114 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.840 5.112 -6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.469 4.526 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.681 3.049 -6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.486 4.106 -7.554 1.00 0.00 H new ATOM 1638 N VAL A 108 12.079 1.093 -6.670 1.00 0.00 N ATOM 1639 CA VAL A 108 12.473 -0.061 -7.465 1.00 0.00 C ATOM 1640 C VAL A 108 11.304 -0.542 -8.317 1.00 0.00 C ATOM 1641 O VAL A 108 11.447 -0.770 -9.520 1.00 0.00 O ATOM 1642 CB VAL A 108 12.966 -1.221 -6.571 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.374 -2.421 -7.410 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.122 -0.767 -5.697 1.00 0.00 C ATOM 0 H VAL A 108 11.895 0.886 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 108 13.293 0.251 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 108 12.141 -1.523 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.717 -3.223 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.519 -2.767 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.180 -2.135 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.456 -1.597 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.946 -0.433 -6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.796 0.055 -5.060 1.00 0.00 H new ATOM 1654 N LEU A 109 10.138 -0.667 -7.691 1.00 0.00 N ATOM 1655 CA LEU A 109 8.942 -1.144 -8.375 1.00 0.00 C ATOM 1656 C LEU A 109 8.490 -0.160 -9.449 1.00 0.00 C ATOM 1657 O LEU A 109 7.760 -0.530 -10.372 1.00 0.00 O ATOM 1658 CB LEU A 109 7.816 -1.396 -7.371 1.00 0.00 C ATOM 1659 CG LEU A 109 8.105 -2.495 -6.346 1.00 0.00 C ATOM 1660 CD1 LEU A 109 6.942 -2.644 -5.382 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.390 -3.816 -7.045 1.00 0.00 C ATOM 0 H LEU A 109 9.996 -0.443 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 109 9.189 -2.085 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.608 -0.468 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.911 -1.659 -7.919 1.00 0.00 H new ATOM 0 HG LEU A 109 8.989 -2.209 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.166 -3.430 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.783 -1.703 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.041 -2.906 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.593 -4.585 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.524 -4.107 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.257 -3.703 -7.696 1.00 0.00 H new ATOM 1673 N ALA A 110 8.929 1.088 -9.328 1.00 0.00 N ATOM 1674 CA ALA A 110 8.675 2.093 -10.351 1.00 0.00 C ATOM 1675 C ALA A 110 9.309 1.674 -11.674 1.00 0.00 C ATOM 1676 O ALA A 110 8.680 1.757 -12.728 1.00 0.00 O ATOM 1677 CB ALA A 110 9.207 3.448 -9.907 1.00 0.00 C ATOM 0 H ALA A 110 9.464 1.428 -8.529 1.00 0.00 H new ATOM 0 HA ALA A 110 7.598 2.178 -10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 110 9.009 4.188 -10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.712 3.749 -8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 110 10.281 3.379 -9.737 1.00 0.00 H new ATOM 1683 N SER A 111 10.549 1.202 -11.607 1.00 0.00 N ATOM 1684 CA SER A 111 11.258 0.731 -12.791 1.00 0.00 C ATOM 1685 C SER A 111 10.652 -0.572 -13.300 1.00 0.00 C ATOM 1686 O SER A 111 10.649 -0.839 -14.502 1.00 0.00 O ATOM 1687 CB SER A 111 12.741 0.542 -12.479 1.00 0.00 C ATOM 1688 OG SER A 111 13.328 1.771 -12.086 1.00 0.00 O ATOM 0 H SER A 111 11.085 1.135 -10.742 1.00 0.00 H new ATOM 0 HA SER A 111 11.158 1.483 -13.574 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.860 -0.195 -11.685 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.256 0.151 -13.356 1.00 0.00 H new ATOM 0 HG SER A 111 14.278 1.631 -11.888 1.00 0.00 H new ATOM 1694 N GLU A 112 10.138 -1.375 -12.378 1.00 0.00 N ATOM 1695 CA GLU A 112 9.460 -2.603 -12.721 1.00 0.00 C ATOM 1696 C GLU A 112 8.203 -2.306 -13.535 1.00 0.00 C ATOM 1697 O GLU A 112 7.855 -3.045 -14.455 1.00 0.00 O ATOM 1698 CB GLU A 112 9.095 -3.349 -11.444 1.00 0.00 C ATOM 1699 CG GLU A 112 10.294 -3.787 -10.619 1.00 0.00 C ATOM 1700 CD GLU A 112 11.150 -4.813 -11.330 1.00 0.00 C ATOM 1701 OE1 GLU A 112 10.715 -5.980 -11.438 1.00 0.00 O ATOM 1702 OE2 GLU A 112 12.267 -4.465 -11.770 1.00 0.00 O ATOM 0 H GLU A 112 10.183 -1.188 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 112 10.122 -3.222 -13.326 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.459 -2.710 -10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.506 -4.228 -11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.903 -2.915 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.947 -4.203 -9.673 1.00 0.00 H new ATOM 1709 N GLY A 113 7.527 -1.217 -13.184 1.00 0.00 N ATOM 1710 CA GLY A 113 6.328 -0.817 -13.897 1.00 0.00 C ATOM 1711 C GLY A 113 5.160 -1.744 -13.624 1.00 0.00 C ATOM 1712 O GLY A 113 4.216 -1.820 -14.410 1.00 0.00 O ATOM 0 H GLY A 113 7.790 -0.602 -12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.058 0.199 -13.608 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.533 -0.800 -14.967 1.00 0.00 H new ATOM 1716 N ARG A 114 5.220 -2.440 -12.501 1.00 0.00 N ATOM 1717 CA ARG A 114 4.198 -3.416 -12.153 1.00 0.00 C ATOM 1718 C ARG A 114 3.066 -2.741 -11.391 1.00 0.00 C ATOM 1719 O ARG A 114 3.211 -1.609 -10.926 1.00 0.00 O ATOM 1720 CB ARG A 114 4.807 -4.539 -11.309 1.00 0.00 C ATOM 1721 CG ARG A 114 6.048 -5.152 -11.935 1.00 0.00 C ATOM 1722 CD ARG A 114 6.645 -6.245 -11.064 1.00 0.00 C ATOM 1723 NE ARG A 114 7.953 -6.670 -11.559 1.00 0.00 N ATOM 1724 CZ ARG A 114 8.159 -7.748 -12.312 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.154 -8.566 -12.604 1.00 0.00 N ATOM 1726 NH2 ARG A 114 9.383 -8.008 -12.750 1.00 0.00 N ATOM 0 H ARG A 114 5.967 -2.348 -11.813 1.00 0.00 H new ATOM 0 HA ARG A 114 3.796 -3.846 -13.070 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.060 -4.148 -10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 114 4.060 -5.319 -11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.795 -5.565 -12.912 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.793 -4.373 -12.101 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.742 -5.883 -10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.970 -7.100 -11.037 1.00 0.00 H new ATOM 0 HE ARG A 114 8.763 -6.102 -11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.218 -8.370 -12.251 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.319 -9.390 -13.182 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.154 -7.385 -12.509 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.554 -8.831 -13.328 1.00 0.00 H new ATOM 1740 N ARG A 115 1.936 -3.425 -11.282 1.00 0.00 N ATOM 1741 CA ARG A 115 0.810 -2.908 -10.522 1.00 0.00 C ATOM 1742 C ARG A 115 1.092 -2.964 -9.029 1.00 0.00 C ATOM 1743 O ARG A 115 0.779 -3.947 -8.354 1.00 0.00 O ATOM 1744 CB ARG A 115 -0.478 -3.664 -10.854 1.00 0.00 C ATOM 1745 CG ARG A 115 -1.242 -3.066 -12.022 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.622 -1.622 -11.731 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.385 -1.005 -12.814 1.00 0.00 N ATOM 1748 CZ ARG A 115 -2.467 0.313 -13.001 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -1.748 1.134 -12.246 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -3.243 0.805 -13.957 1.00 0.00 N ATOM 0 H ARG A 115 1.776 -4.337 -11.710 1.00 0.00 H new ATOM 0 HA ARG A 115 0.671 -1.865 -10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -0.234 -4.701 -11.082 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.122 -3.674 -9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.632 -3.112 -12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -2.141 -3.652 -12.214 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.208 -1.584 -10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -0.716 -1.042 -11.555 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.882 -1.616 -13.462 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.134 0.757 -11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.809 2.142 -12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.780 0.175 -14.553 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.303 1.814 -14.097 1.00 0.00 H new ATOM 1764 N VAL A 116 1.717 -1.912 -8.532 1.00 0.00 N ATOM 1765 CA VAL A 116 2.011 -1.793 -7.120 1.00 0.00 C ATOM 1766 C VAL A 116 0.967 -0.921 -6.432 1.00 0.00 C ATOM 1767 O VAL A 116 0.632 0.165 -6.909 1.00 0.00 O ATOM 1768 CB VAL A 116 3.429 -1.214 -6.887 1.00 0.00 C ATOM 1769 CG1 VAL A 116 3.613 0.112 -7.613 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.708 -1.048 -5.401 1.00 0.00 C ATOM 0 H VAL A 116 2.033 -1.122 -9.094 1.00 0.00 H new ATOM 0 HA VAL A 116 1.979 -2.793 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 116 4.146 -1.925 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.618 0.491 -7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.472 -0.037 -8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.881 0.832 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.709 -0.640 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.975 -0.367 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.639 -2.017 -4.907 1.00 0.00 H new ATOM 1780 N ALA A 117 0.430 -1.418 -5.335 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.515 -0.660 -4.542 1.00 0.00 C ATOM 1782 C ALA A 117 0.164 -0.164 -3.276 1.00 0.00 C ATOM 1783 O ALA A 117 0.320 -0.912 -2.310 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.736 -1.506 -4.205 1.00 0.00 C ATOM 0 H ALA A 117 0.634 -2.349 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.855 0.199 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.433 -0.917 -3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.224 -1.823 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.425 -2.384 -3.638 1.00 0.00 H new ATOM 1790 N LEU A 118 0.607 1.082 -3.300 1.00 0.00 N ATOM 1791 CA LEU A 118 1.289 1.663 -2.159 1.00 0.00 C ATOM 1792 C LEU A 118 0.281 2.321 -1.230 1.00 0.00 C ATOM 1793 O LEU A 118 -0.200 3.424 -1.495 1.00 0.00 O ATOM 1794 CB LEU A 118 2.335 2.683 -2.620 1.00 0.00 C ATOM 1795 CG LEU A 118 3.202 3.276 -1.508 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.031 2.189 -0.837 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.102 4.368 -2.061 1.00 0.00 C ATOM 0 H LEU A 118 0.506 1.709 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 118 1.802 0.868 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.987 2.205 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.823 3.497 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 118 2.545 3.717 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.641 2.631 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.367 1.440 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.679 1.717 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.712 4.779 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.751 3.950 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.490 5.160 -2.493 1.00 0.00 H new ATOM 1809 N ALA A 119 -0.053 1.631 -0.155 1.00 0.00 N ATOM 1810 CA ALA A 119 -1.003 2.144 0.810 1.00 0.00 C ATOM 1811 C ALA A 119 -0.271 2.774 1.983 1.00 0.00 C ATOM 1812 O ALA A 119 0.205 2.079 2.885 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.936 1.039 1.283 1.00 0.00 C ATOM 0 H ALA A 119 0.322 0.710 0.071 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.608 2.912 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.642 1.444 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.482 0.635 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.353 0.245 1.750 1.00 0.00 H new ATOM 1819 N MET A 120 -0.158 4.091 1.952 1.00 0.00 N ATOM 1820 CA MET A 120 0.537 4.817 3.002 1.00 0.00 C ATOM 1821 C MET A 120 -0.435 5.230 4.090 1.00 0.00 C ATOM 1822 O MET A 120 -1.407 5.944 3.836 1.00 0.00 O ATOM 1823 CB MET A 120 1.244 6.054 2.444 1.00 0.00 C ATOM 1824 CG MET A 120 2.494 5.745 1.638 1.00 0.00 C ATOM 1825 SD MET A 120 3.765 4.917 2.615 1.00 0.00 S ATOM 1826 CE MET A 120 5.131 4.895 1.459 1.00 0.00 C ATOM 0 H MET A 120 -0.539 4.680 1.211 1.00 0.00 H new ATOM 0 HA MET A 120 1.289 4.151 3.425 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.546 6.605 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.512 6.710 3.272 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.227 5.116 0.788 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.899 6.673 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.031 5.263 1.952 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.298 3.875 1.113 1.00 0.00 H new ATOM 0 HE3 MET A 120 4.897 5.533 0.607 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.174 4.761 5.294 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.967 5.126 6.448 1.00 0.00 C ATOM 1838 C ILE A 121 -0.127 5.975 7.390 1.00 0.00 C ATOM 1839 O ILE A 121 0.915 5.535 7.884 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.489 3.882 7.200 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.325 3.005 6.261 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.308 4.297 8.416 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.833 1.729 6.905 1.00 0.00 C ATOM 0 H ILE A 121 0.591 4.118 5.498 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.831 5.692 6.098 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.634 3.301 7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.176 3.583 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.724 2.747 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.667 3.408 8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.685 4.883 9.092 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.158 4.898 8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.416 1.162 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.987 1.129 7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.462 1.978 7.760 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.571 7.193 7.631 1.00 0.00 N ATOM 1856 CA VAL A 122 0.161 8.100 8.492 1.00 0.00 C ATOM 1857 C VAL A 122 -0.250 7.913 9.949 1.00 0.00 C ATOM 1858 O VAL A 122 -1.401 8.142 10.324 1.00 0.00 O ATOM 1859 CB VAL A 122 -0.050 9.566 8.059 1.00 0.00 C ATOM 1860 CG1 VAL A 122 0.543 10.524 9.076 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.570 9.802 6.687 1.00 0.00 C ATOM 0 H VAL A 122 -1.433 7.576 7.244 1.00 0.00 H new ATOM 0 HA VAL A 122 1.221 7.866 8.398 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.122 9.754 8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.381 11.550 8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.062 10.372 10.042 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.613 10.338 9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.415 10.840 6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.639 9.592 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.100 9.143 5.957 1.00 0.00 H new ATOM 1871 N GLY A 123 0.708 7.480 10.760 1.00 0.00 N ATOM 1872 CA GLY A 123 0.451 7.230 12.161 1.00 0.00 C ATOM 1873 C GLY A 123 0.803 8.419 13.023 1.00 0.00 C ATOM 1874 O GLY A 123 1.821 8.419 13.719 1.00 0.00 O ATOM 0 H GLY A 123 1.667 7.297 10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.602 6.982 12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.027 6.364 12.486 1.00 0.00 H new