USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 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 Single : A 19 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -32:sc= 0.296 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 31:sc= 1.06 USER MOD Single : A 62 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.57) USER MOD Single : A 65 LYS NZ :NH3+ -115:sc= 0.0465 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.07 X(o=-0.07,f=-0.07) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -2.79! (180deg=-3.75!) USER MOD Single : A 72 SER OG : rot -172:sc= 0.679 USER MOD Single : A 74 THR OG1 : rot 80:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 84 LYS NZ :NH3+ 142:sc= -2.13 (180deg=-4.38!) USER MOD Single : A 85 ASN : amide:sc= 0.167 K(o=0.17,f=-0.77) USER MOD Single : A 86 LYS NZ :NH3+ -166:sc= 0.152 (180deg=-0.00344) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 98 MET CE :methyl -161:sc=-0.00707 (180deg=-0.533) USER MOD Single : A 100 HIS : no HD1:sc= -2.05 K(o=-2,f=-7!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -2.125 -1.291 10.872 1.00 0.00 N ATOM 225 CA HIS A 19 -2.959 -1.735 9.762 1.00 0.00 C ATOM 226 C HIS A 19 -3.126 -3.250 9.750 1.00 0.00 C ATOM 227 O HIS A 19 -3.389 -3.829 8.712 1.00 0.00 O ATOM 228 CB HIS A 19 -2.381 -1.263 8.422 1.00 0.00 C ATOM 229 CG HIS A 19 -2.479 0.216 8.210 1.00 0.00 C ATOM 230 ND1 HIS A 19 -3.660 0.874 7.945 1.00 0.00 N ATOM 231 CD2 HIS A 19 -1.515 1.170 8.221 1.00 0.00 C ATOM 232 CE1 HIS A 19 -3.383 2.177 7.806 1.00 0.00 C ATOM 233 NE2 HIS A 19 -2.096 2.410 7.965 1.00 0.00 N ATOM 0 HA HIS A 19 -3.943 -1.288 9.903 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.334 -1.561 8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.903 -1.772 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.464 0.996 8.400 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.119 2.938 7.591 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.623 3.312 7.912 1.00 0.00 H new ATOM 240 N THR A 20 -2.932 -3.898 10.893 1.00 0.00 N ATOM 241 CA THR A 20 -3.062 -5.353 10.963 1.00 0.00 C ATOM 242 C THR A 20 -4.528 -5.798 10.840 1.00 0.00 C ATOM 243 O THR A 20 -5.351 -5.492 11.704 1.00 0.00 O ATOM 244 CB THR A 20 -2.487 -5.891 12.291 1.00 0.00 C ATOM 245 OG1 THR A 20 -1.169 -5.369 12.498 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.428 -7.412 12.287 1.00 0.00 C ATOM 0 H THR A 20 -2.687 -3.448 11.775 1.00 0.00 H new ATOM 0 HA THR A 20 -2.498 -5.762 10.125 1.00 0.00 H new ATOM 0 HB THR A 20 -3.146 -5.569 13.098 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.810 -5.712 13.343 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.019 -7.763 13.235 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.432 -7.815 12.154 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.791 -7.749 11.470 1.00 0.00 H new ATOM 254 N LEU A 21 -4.835 -6.535 9.765 1.00 0.00 N ATOM 255 CA LEU A 21 -6.187 -7.049 9.521 1.00 0.00 C ATOM 256 C LEU A 21 -6.160 -8.116 8.422 1.00 0.00 C ATOM 257 O LEU A 21 -5.186 -8.220 7.680 1.00 0.00 O ATOM 258 CB LEU A 21 -7.142 -5.917 9.137 1.00 0.00 C ATOM 259 CG LEU A 21 -8.416 -5.824 9.983 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.661 -4.388 10.419 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.614 -6.357 9.207 1.00 0.00 C ATOM 0 H LEU A 21 -4.158 -6.790 9.045 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.550 -7.502 10.444 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.606 -4.971 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.427 -6.042 8.092 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.283 -6.438 10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.570 -4.340 11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.816 -4.039 11.012 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.773 -3.755 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.509 -6.283 9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.750 -5.770 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.441 -7.400 8.942 1.00 0.00 H new ATOM 273 N LEU A 22 -7.224 -8.919 8.343 1.00 0.00 N ATOM 274 CA LEU A 22 -7.317 -10.000 7.351 1.00 0.00 C ATOM 275 C LEU A 22 -7.362 -9.502 5.895 1.00 0.00 C ATOM 276 O LEU A 22 -6.602 -9.979 5.053 1.00 0.00 O ATOM 277 CB LEU A 22 -8.555 -10.857 7.637 1.00 0.00 C ATOM 278 CG LEU A 22 -8.792 -12.021 6.669 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.642 -13.017 6.732 1.00 0.00 C ATOM 280 CD2 LEU A 22 -10.113 -12.709 6.977 1.00 0.00 C ATOM 0 H LEU A 22 -8.037 -8.843 8.955 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.405 -10.589 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.471 -11.259 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.433 -10.211 7.623 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.840 -11.620 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.831 -13.835 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.712 -12.517 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.558 -13.413 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.265 -13.533 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.093 -13.095 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.928 -11.993 6.876 1.00 0.00 H new ATOM 292 N PHE A 23 -8.250 -8.549 5.596 1.00 0.00 N ATOM 293 CA PHE A 23 -8.378 -8.031 4.227 1.00 0.00 C ATOM 294 C PHE A 23 -7.354 -6.938 3.948 1.00 0.00 C ATOM 295 O PHE A 23 -6.834 -6.813 2.837 1.00 0.00 O ATOM 296 CB PHE A 23 -9.792 -7.493 3.986 1.00 0.00 C ATOM 297 CG PHE A 23 -10.856 -8.553 4.035 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.583 -8.774 5.195 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.127 -9.331 2.921 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.560 -9.750 5.242 1.00 0.00 C ATOM 301 CE2 PHE A 23 -12.103 -10.309 2.962 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.820 -10.519 4.123 1.00 0.00 C ATOM 0 H PHE A 23 -8.884 -8.124 6.272 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.189 -8.859 3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.014 -6.732 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.824 -7.003 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.383 -8.176 6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.569 -9.171 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.120 -9.912 6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.305 -10.908 2.086 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.583 -11.283 4.157 1.00 0.00 H new ATOM 312 N ASP A 24 -7.083 -6.147 4.968 1.00 0.00 N ATOM 313 CA ASP A 24 -6.115 -5.065 4.883 1.00 0.00 C ATOM 314 C ASP A 24 -4.902 -5.418 5.715 1.00 0.00 C ATOM 315 O ASP A 24 -4.714 -4.876 6.791 1.00 0.00 O ATOM 316 CB ASP A 24 -6.691 -3.703 5.312 1.00 0.00 C ATOM 317 CG ASP A 24 -7.557 -3.761 6.558 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.537 -4.541 6.570 1.00 0.00 O ATOM 319 OD2 ASP A 24 -7.261 -3.023 7.518 1.00 0.00 O ATOM 0 H ASP A 24 -7.528 -6.235 5.882 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.834 -4.955 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.867 -3.011 5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.281 -3.295 4.491 1.00 0.00 H new ATOM 324 N LEU A 25 -4.137 -6.394 5.227 1.00 0.00 N ATOM 325 CA LEU A 25 -2.928 -6.883 5.899 1.00 0.00 C ATOM 326 C LEU A 25 -2.038 -5.727 6.378 1.00 0.00 C ATOM 327 O LEU A 25 -2.120 -4.617 5.846 1.00 0.00 O ATOM 328 CB LEU A 25 -2.143 -7.784 4.936 1.00 0.00 C ATOM 329 CG LEU A 25 -2.872 -9.061 4.508 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.095 -9.790 3.424 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.103 -9.974 5.704 1.00 0.00 C ATOM 0 H LEU A 25 -4.338 -6.872 4.349 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.232 -7.451 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.895 -7.209 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.201 -8.062 5.408 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.842 -8.776 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.632 -10.694 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.986 -9.141 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.109 -10.059 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.622 -10.876 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.144 -10.247 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.709 -9.455 6.447 1.00 0.00 H new ATOM 343 N PRO A 26 -1.189 -5.990 7.409 1.00 0.00 N ATOM 344 CA PRO A 26 -0.271 -5.006 8.024 1.00 0.00 C ATOM 345 C PRO A 26 0.396 -4.041 7.030 1.00 0.00 C ATOM 346 O PRO A 26 0.409 -4.283 5.822 1.00 0.00 O ATOM 347 CB PRO A 26 0.798 -5.892 8.700 1.00 0.00 C ATOM 348 CG PRO A 26 0.396 -7.313 8.450 1.00 0.00 C ATOM 349 CD PRO A 26 -1.057 -7.287 8.076 1.00 0.00 C ATOM 0 HA PRO A 26 -0.817 -4.346 8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.786 -5.690 8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.852 -5.687 9.769 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.994 -7.750 7.651 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.557 -7.923 9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.321 -8.112 7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.703 -7.361 8.951 1.00 0.00 H new ATOM 357 N PRO A 27 1.002 -2.943 7.556 1.00 0.00 N ATOM 358 CA PRO A 27 1.664 -1.901 6.756 1.00 0.00 C ATOM 359 C PRO A 27 2.641 -2.413 5.704 1.00 0.00 C ATOM 360 O PRO A 27 3.118 -1.638 4.893 1.00 0.00 O ATOM 361 CB PRO A 27 2.424 -1.075 7.782 1.00 0.00 C ATOM 362 CG PRO A 27 1.638 -1.223 9.026 1.00 0.00 C ATOM 363 CD PRO A 27 1.064 -2.616 8.994 1.00 0.00 C ATOM 0 HA PRO A 27 0.914 -1.357 6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.443 -1.440 7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.495 -0.031 7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.268 -1.081 9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.846 -0.476 9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.695 -3.320 9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.077 -2.652 9.455 1.00 0.00 H new ATOM 371 N ALA A 28 2.948 -3.701 5.716 1.00 0.00 N ATOM 372 CA ALA A 28 3.864 -4.271 4.744 1.00 0.00 C ATOM 373 C ALA A 28 3.389 -3.968 3.323 1.00 0.00 C ATOM 374 O ALA A 28 4.204 -3.726 2.433 1.00 0.00 O ATOM 375 CB ALA A 28 3.985 -5.773 4.954 1.00 0.00 C ATOM 0 H ALA A 28 2.575 -4.371 6.389 1.00 0.00 H new ATOM 0 HA ALA A 28 4.846 -3.819 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.674 -6.189 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.362 -5.971 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.006 -6.237 4.836 1.00 0.00 H new ATOM 381 N LEU A 29 2.072 -3.979 3.107 1.00 0.00 N ATOM 382 CA LEU A 29 1.541 -3.680 1.782 1.00 0.00 C ATOM 383 C LEU A 29 0.882 -2.294 1.700 1.00 0.00 C ATOM 384 O LEU A 29 1.494 -1.349 1.215 1.00 0.00 O ATOM 385 CB LEU A 29 0.547 -4.755 1.346 1.00 0.00 C ATOM 386 CG LEU A 29 0.677 -5.160 -0.117 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.100 -5.610 -0.404 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.313 -6.258 -0.462 1.00 0.00 C ATOM 0 H LEU A 29 1.370 -4.187 3.817 1.00 0.00 H new ATOM 0 HA LEU A 29 2.394 -3.672 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.684 -5.638 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.466 -4.393 1.524 1.00 0.00 H new ATOM 0 HG LEU A 29 0.449 -4.296 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.186 -5.898 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.789 -4.792 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.346 -6.463 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.202 -6.531 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.121 -7.131 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.328 -5.902 -0.285 1.00 0.00 H new ATOM 400 N LEU A 30 -0.348 -2.169 2.201 1.00 0.00 N ATOM 401 CA LEU A 30 -1.088 -0.899 2.142 1.00 0.00 C ATOM 402 C LEU A 30 -0.383 0.246 2.875 1.00 0.00 C ATOM 403 O LEU A 30 -0.172 1.306 2.293 1.00 0.00 O ATOM 404 CB LEU A 30 -2.505 -1.077 2.718 1.00 0.00 C ATOM 405 CG LEU A 30 -3.653 -0.593 1.825 1.00 0.00 C ATOM 406 CD1 LEU A 30 -4.990 -0.805 2.518 1.00 0.00 C ATOM 407 CD2 LEU A 30 -3.477 0.874 1.454 1.00 0.00 C ATOM 0 H LEU A 30 -0.856 -2.929 2.653 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.139 -0.626 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.659 -2.134 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.560 -0.546 3.668 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.636 -1.180 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.795 -0.456 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.127 -1.866 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.008 -0.245 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.305 1.191 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.461 1.479 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.538 1.003 0.915 1.00 0.00 H new ATOM 419 N GLY A 31 -0.003 0.026 4.131 1.00 0.00 N ATOM 420 CA GLY A 31 0.624 1.087 4.916 1.00 0.00 C ATOM 421 C GLY A 31 1.918 1.639 4.328 1.00 0.00 C ATOM 422 O GLY A 31 2.058 2.851 4.163 1.00 0.00 O ATOM 0 H GLY A 31 -0.115 -0.861 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.087 1.906 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.830 0.706 5.916 1.00 0.00 H new ATOM 426 N GLU A 32 2.852 0.758 3.994 1.00 0.00 N ATOM 427 CA GLU A 32 4.141 1.169 3.445 1.00 0.00 C ATOM 428 C GLU A 32 4.031 1.710 2.023 1.00 0.00 C ATOM 429 O GLU A 32 4.640 2.729 1.704 1.00 0.00 O ATOM 430 CB GLU A 32 5.122 -0.006 3.500 1.00 0.00 C ATOM 431 CG GLU A 32 6.565 0.368 3.184 1.00 0.00 C ATOM 432 CD GLU A 32 6.904 0.238 1.712 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.217 -0.533 1.012 1.00 0.00 O ATOM 434 OE2 GLU A 32 7.862 0.899 1.265 1.00 0.00 O ATOM 0 H GLU A 32 2.742 -0.251 4.094 1.00 0.00 H new ATOM 0 HA GLU A 32 4.513 1.989 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.083 -0.450 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.795 -0.771 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.746 1.394 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.234 -0.269 3.763 1.00 0.00 H new ATOM 441 N LEU A 33 3.257 1.043 1.172 1.00 0.00 N ATOM 442 CA LEU A 33 3.124 1.479 -0.215 1.00 0.00 C ATOM 443 C LEU A 33 2.402 2.821 -0.328 1.00 0.00 C ATOM 444 O LEU A 33 2.774 3.654 -1.151 1.00 0.00 O ATOM 445 CB LEU A 33 2.431 0.415 -1.075 1.00 0.00 C ATOM 446 CG LEU A 33 3.223 -0.887 -1.245 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.409 -1.915 -2.015 1.00 0.00 C ATOM 448 CD2 LEU A 33 4.550 -0.623 -1.939 1.00 0.00 C ATOM 0 H LEU A 33 2.719 0.210 1.413 1.00 0.00 H new ATOM 0 HA LEU A 33 4.135 1.618 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.464 0.181 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.234 0.836 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 33 3.431 -1.290 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.990 -2.831 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.489 -2.131 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.164 -1.521 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.096 -1.560 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.366 -0.192 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.140 0.073 -1.343 1.00 0.00 H new ATOM 460 N CYS A 34 1.375 3.042 0.494 1.00 0.00 N ATOM 461 CA CYS A 34 0.641 4.305 0.436 1.00 0.00 C ATOM 462 C CYS A 34 1.464 5.462 1.006 1.00 0.00 C ATOM 463 O CYS A 34 1.322 6.603 0.572 1.00 0.00 O ATOM 464 CB CYS A 34 -0.698 4.209 1.181 1.00 0.00 C ATOM 465 SG CYS A 34 -0.560 4.200 2.986 1.00 0.00 S ATOM 0 H CYS A 34 1.039 2.379 1.193 1.00 0.00 H new ATOM 0 HA CYS A 34 0.444 4.505 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.326 5.049 0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.210 3.300 0.865 1.00 0.00 H new ATOM 0 HG CYS A 34 0.551 3.620 3.333 1.00 0.00 H new ATOM 471 N ALA A 35 2.324 5.166 1.983 1.00 0.00 N ATOM 472 CA ALA A 35 3.145 6.199 2.614 1.00 0.00 C ATOM 473 C ALA A 35 4.446 6.483 1.861 1.00 0.00 C ATOM 474 O ALA A 35 4.716 7.625 1.491 1.00 0.00 O ATOM 475 CB ALA A 35 3.452 5.811 4.055 1.00 0.00 C ATOM 0 H ALA A 35 2.469 4.226 2.352 1.00 0.00 H new ATOM 0 HA ALA A 35 2.562 7.120 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.064 6.585 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.520 5.705 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.992 4.865 4.070 1.00 0.00 H new ATOM 481 N VAL A 36 5.247 5.441 1.637 1.00 0.00 N ATOM 482 CA VAL A 36 6.540 5.586 0.963 1.00 0.00 C ATOM 483 C VAL A 36 6.411 6.073 -0.485 1.00 0.00 C ATOM 484 O VAL A 36 7.130 6.983 -0.899 1.00 0.00 O ATOM 485 CB VAL A 36 7.350 4.266 1.018 1.00 0.00 C ATOM 486 CG1 VAL A 36 8.585 4.337 0.128 1.00 0.00 C ATOM 487 CG2 VAL A 36 7.751 3.960 2.454 1.00 0.00 C ATOM 0 H VAL A 36 5.024 4.485 1.913 1.00 0.00 H new ATOM 0 HA VAL A 36 7.081 6.358 1.510 1.00 0.00 H new ATOM 0 HB VAL A 36 6.715 3.463 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.132 3.396 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.280 4.514 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.227 5.152 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.320 3.031 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.365 4.773 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.856 3.857 3.068 1.00 0.00 H new ATOM 497 N LEU A 37 5.490 5.490 -1.250 1.00 0.00 N ATOM 498 CA LEU A 37 5.316 5.892 -2.646 1.00 0.00 C ATOM 499 C LEU A 37 4.642 7.259 -2.752 1.00 0.00 C ATOM 500 O LEU A 37 4.709 7.910 -3.791 1.00 0.00 O ATOM 501 CB LEU A 37 4.510 4.857 -3.436 1.00 0.00 C ATOM 502 CG LEU A 37 5.126 3.463 -3.526 1.00 0.00 C ATOM 503 CD1 LEU A 37 4.204 2.532 -4.291 1.00 0.00 C ATOM 504 CD2 LEU A 37 6.486 3.533 -4.200 1.00 0.00 C ATOM 0 H LEU A 37 4.862 4.750 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 37 6.314 5.958 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.523 4.769 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.362 5.234 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 37 5.258 3.071 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.654 1.541 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.245 2.466 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.050 2.919 -5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.915 2.533 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.373 3.939 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.147 4.178 -3.620 1.00 0.00 H new ATOM 516 N ASP A 38 3.978 7.684 -1.681 1.00 0.00 N ATOM 517 CA ASP A 38 3.300 8.981 -1.665 1.00 0.00 C ATOM 518 C ASP A 38 4.287 10.119 -1.898 1.00 0.00 C ATOM 519 O ASP A 38 3.985 11.087 -2.593 1.00 0.00 O ATOM 520 CB ASP A 38 2.575 9.193 -0.334 1.00 0.00 C ATOM 521 CG ASP A 38 1.865 10.530 -0.264 1.00 0.00 C ATOM 522 OD1 ASP A 38 0.907 10.734 -1.035 1.00 0.00 O ATOM 523 OD2 ASP A 38 2.267 11.371 0.567 1.00 0.00 O ATOM 0 H ASP A 38 3.894 7.153 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 38 2.570 8.982 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.850 8.393 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.294 9.124 0.482 1.00 0.00 H new ATOM 528 N SER A 39 5.468 9.990 -1.309 1.00 0.00 N ATOM 529 CA SER A 39 6.509 11.004 -1.444 1.00 0.00 C ATOM 530 C SER A 39 7.405 10.711 -2.646 1.00 0.00 C ATOM 531 O SER A 39 8.444 11.347 -2.828 1.00 0.00 O ATOM 532 CB SER A 39 7.352 11.069 -0.168 1.00 0.00 C ATOM 533 OG SER A 39 6.556 11.423 0.951 1.00 0.00 O ATOM 0 H SER A 39 5.731 9.192 -0.731 1.00 0.00 H new ATOM 0 HA SER A 39 6.025 11.968 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.825 10.103 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.153 11.798 -0.294 1.00 0.00 H new ATOM 0 HG SER A 39 7.117 11.456 1.754 1.00 0.00 H new ATOM 539 N CYS A 40 6.999 9.737 -3.457 1.00 0.00 N ATOM 540 CA CYS A 40 7.763 9.345 -4.634 1.00 0.00 C ATOM 541 C CYS A 40 7.761 10.438 -5.697 1.00 0.00 C ATOM 542 O CYS A 40 6.764 11.131 -5.897 1.00 0.00 O ATOM 543 CB CYS A 40 7.219 8.050 -5.227 1.00 0.00 C ATOM 544 SG CYS A 40 8.276 7.345 -6.502 1.00 0.00 S ATOM 0 H CYS A 40 6.141 9.204 -3.318 1.00 0.00 H new ATOM 0 HA CYS A 40 8.791 9.186 -4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.090 7.320 -4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.232 8.239 -5.648 1.00 0.00 H new ATOM 0 HG CYS A 40 9.517 7.640 -6.249 1.00 0.00 H new ATOM 550 N ASP A 41 8.888 10.573 -6.383 1.00 0.00 N ATOM 551 CA ASP A 41 9.042 11.578 -7.428 1.00 0.00 C ATOM 552 C ASP A 41 9.714 10.966 -8.653 1.00 0.00 C ATOM 553 O ASP A 41 10.687 11.503 -9.181 1.00 0.00 O ATOM 554 CB ASP A 41 9.863 12.765 -6.915 1.00 0.00 C ATOM 555 CG ASP A 41 9.637 14.022 -7.732 1.00 0.00 C ATOM 556 OD1 ASP A 41 8.620 14.086 -8.457 1.00 0.00 O ATOM 557 OD2 ASP A 41 10.474 14.945 -7.644 1.00 0.00 O ATOM 0 H ASP A 41 9.715 9.995 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 41 8.052 11.937 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.603 12.960 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.922 12.507 -6.936 1.00 0.00 H new ATOM 562 N GLY A 42 9.191 9.824 -9.089 1.00 0.00 N ATOM 563 CA GLY A 42 9.734 9.144 -10.253 1.00 0.00 C ATOM 564 C GLY A 42 10.768 8.084 -9.910 1.00 0.00 C ATOM 565 O GLY A 42 11.138 7.284 -10.768 1.00 0.00 O ATOM 0 H GLY A 42 8.396 9.355 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.918 8.678 -10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.187 9.881 -10.916 1.00 0.00 H new ATOM 569 N ALA A 43 11.240 8.077 -8.662 1.00 0.00 N ATOM 570 CA ALA A 43 12.232 7.090 -8.223 1.00 0.00 C ATOM 571 C ALA A 43 11.666 5.673 -8.290 1.00 0.00 C ATOM 572 O ALA A 43 12.340 4.738 -8.720 1.00 0.00 O ATOM 573 CB ALA A 43 12.700 7.406 -6.809 1.00 0.00 C ATOM 0 H ALA A 43 10.954 8.739 -7.940 1.00 0.00 H new ATOM 0 HA ALA A 43 13.086 7.145 -8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.436 6.666 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.151 8.398 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.848 7.381 -6.130 1.00 0.00 H new ATOM 579 N LEU A 44 10.422 5.530 -7.849 1.00 0.00 N ATOM 580 CA LEU A 44 9.731 4.244 -7.870 1.00 0.00 C ATOM 581 C LEU A 44 8.485 4.345 -8.736 1.00 0.00 C ATOM 582 O LEU A 44 8.019 3.359 -9.300 1.00 0.00 O ATOM 583 CB LEU A 44 9.348 3.810 -6.447 1.00 0.00 C ATOM 584 CG LEU A 44 10.538 3.510 -5.524 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.078 3.349 -4.086 1.00 0.00 C ATOM 586 CD2 LEU A 44 11.268 2.258 -5.989 1.00 0.00 C ATOM 0 H LEU A 44 9.866 6.296 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 44 10.402 3.494 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.743 4.595 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.721 2.920 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 44 11.226 4.354 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.938 3.137 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.598 4.269 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.367 2.525 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.109 2.059 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.583 1.410 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.636 2.407 -7.004 1.00 0.00 H new ATOM 598 N GLY A 45 7.956 5.560 -8.832 1.00 0.00 N ATOM 599 CA GLY A 45 6.766 5.801 -9.612 1.00 0.00 C ATOM 600 C GLY A 45 5.510 5.428 -8.855 1.00 0.00 C ATOM 601 O GLY A 45 5.296 4.254 -8.557 1.00 0.00 O ATOM 0 H GLY A 45 8.339 6.388 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.722 6.854 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.816 5.227 -10.537 1.00 0.00 H new ATOM 605 N TRP A 46 4.686 6.422 -8.522 1.00 0.00 N ATOM 606 CA TRP A 46 3.430 6.158 -7.813 1.00 0.00 C ATOM 607 C TRP A 46 2.602 5.107 -8.562 1.00 0.00 C ATOM 608 O TRP A 46 2.088 4.162 -7.963 1.00 0.00 O ATOM 609 CB TRP A 46 2.627 7.455 -7.636 1.00 0.00 C ATOM 610 CG TRP A 46 2.648 8.366 -8.832 1.00 0.00 C ATOM 611 CD1 TRP A 46 1.813 8.328 -9.910 1.00 0.00 C ATOM 612 CD2 TRP A 46 3.542 9.463 -9.057 1.00 0.00 C ATOM 613 NE1 TRP A 46 2.143 9.321 -10.800 1.00 0.00 N ATOM 614 CE2 TRP A 46 3.199 10.034 -10.297 1.00 0.00 C ATOM 615 CE3 TRP A 46 4.602 10.016 -8.332 1.00 0.00 C ATOM 616 CZ2 TRP A 46 3.878 11.128 -10.827 1.00 0.00 C ATOM 617 CZ3 TRP A 46 5.274 11.103 -8.859 1.00 0.00 C ATOM 618 CH2 TRP A 46 4.910 11.649 -10.095 1.00 0.00 C ATOM 0 H TRP A 46 4.861 7.406 -8.728 1.00 0.00 H new ATOM 0 HA TRP A 46 3.668 5.766 -6.824 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.592 7.199 -7.407 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.019 7.996 -6.775 1.00 0.00 H new ATOM 0 HD1 TRP A 46 1.009 7.620 -10.044 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.678 9.498 -11.690 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.891 9.601 -7.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.600 11.550 -11.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.094 11.538 -8.307 1.00 0.00 H new ATOM 0 HH2 TRP A 46 5.455 12.499 -10.479 1.00 0.00 H new ATOM 629 N ARG A 47 2.467 5.292 -9.875 1.00 0.00 N ATOM 630 CA ARG A 47 1.748 4.347 -10.726 1.00 0.00 C ATOM 631 C ARG A 47 2.636 3.190 -11.168 1.00 0.00 C ATOM 632 O ARG A 47 2.190 2.344 -11.912 1.00 0.00 O ATOM 633 CB ARG A 47 1.151 5.024 -11.967 1.00 0.00 C ATOM 634 CG ARG A 47 2.185 5.652 -12.889 1.00 0.00 C ATOM 635 CD ARG A 47 1.526 6.401 -14.035 1.00 0.00 C ATOM 636 NE ARG A 47 2.511 7.009 -14.927 1.00 0.00 N ATOM 637 CZ ARG A 47 2.194 7.773 -15.967 1.00 0.00 C ATOM 638 NH1 ARG A 47 0.922 8.023 -16.247 1.00 0.00 N ATOM 639 NH2 ARG A 47 3.152 8.287 -16.730 1.00 0.00 N ATOM 0 H ARG A 47 2.850 6.095 -10.375 1.00 0.00 H new ATOM 0 HA ARG A 47 0.935 3.957 -10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.578 4.287 -12.530 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.450 5.795 -11.646 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.814 6.336 -12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.838 4.876 -13.288 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.897 5.715 -14.603 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.872 7.176 -13.634 1.00 0.00 H new ATOM 0 HE ARG A 47 3.499 6.837 -14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.184 7.629 -15.663 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.681 8.610 -17.046 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.131 8.095 -16.518 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.909 8.873 -17.528 1.00 0.00 H new ATOM 653 N GLY A 48 3.892 3.160 -10.733 1.00 0.00 N ATOM 654 CA GLY A 48 4.794 2.101 -11.171 1.00 0.00 C ATOM 655 C GLY A 48 4.287 0.708 -10.848 1.00 0.00 C ATOM 656 O GLY A 48 4.317 -0.177 -11.706 1.00 0.00 O ATOM 0 H GLY A 48 4.301 3.840 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.945 2.184 -12.247 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.767 2.244 -10.700 1.00 0.00 H new ATOM 660 N LEU A 49 3.826 0.504 -9.621 1.00 0.00 N ATOM 661 CA LEU A 49 3.294 -0.796 -9.220 1.00 0.00 C ATOM 662 C LEU A 49 1.916 -1.033 -9.832 1.00 0.00 C ATOM 663 O LEU A 49 1.623 -2.123 -10.322 1.00 0.00 O ATOM 664 CB LEU A 49 3.217 -0.886 -7.695 1.00 0.00 C ATOM 665 CG LEU A 49 4.557 -0.745 -6.966 1.00 0.00 C ATOM 666 CD1 LEU A 49 4.346 -0.830 -5.466 1.00 0.00 C ATOM 667 CD2 LEU A 49 5.538 -1.811 -7.429 1.00 0.00 C ATOM 0 H LEU A 49 3.809 1.215 -8.890 1.00 0.00 H new ATOM 0 HA LEU A 49 3.968 -1.569 -9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.542 -0.110 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.774 -1.845 -7.425 1.00 0.00 H new ATOM 0 HG LEU A 49 4.981 0.230 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.305 -0.729 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.679 -0.029 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.902 -1.793 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.482 -1.692 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.127 -2.799 -7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.709 -1.708 -8.501 1.00 0.00 H new ATOM 679 N ALA A 50 1.081 0.006 -9.812 1.00 0.00 N ATOM 680 CA ALA A 50 -0.273 -0.076 -10.357 1.00 0.00 C ATOM 681 C ALA A 50 -0.286 -0.338 -11.857 1.00 0.00 C ATOM 682 O ALA A 50 -1.103 -1.112 -12.346 1.00 0.00 O ATOM 683 CB ALA A 50 -1.033 1.203 -10.066 1.00 0.00 C ATOM 0 H ALA A 50 1.321 0.918 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.757 -0.922 -9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.040 1.129 -10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.091 1.354 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.515 2.046 -10.523 1.00 0.00 H new ATOM 689 N GLU A 51 0.624 0.313 -12.573 1.00 0.00 N ATOM 690 CA GLU A 51 0.715 0.191 -14.023 1.00 0.00 C ATOM 691 C GLU A 51 0.988 -1.257 -14.442 1.00 0.00 C ATOM 692 O GLU A 51 0.368 -1.768 -15.375 1.00 0.00 O ATOM 693 CB GLU A 51 1.823 1.112 -14.555 1.00 0.00 C ATOM 694 CG GLU A 51 1.972 1.092 -16.072 1.00 0.00 C ATOM 695 CD GLU A 51 3.055 2.031 -16.567 1.00 0.00 C ATOM 696 OE1 GLU A 51 3.707 2.687 -15.727 1.00 0.00 O ATOM 697 OE2 GLU A 51 3.253 2.109 -17.797 1.00 0.00 O ATOM 0 H GLU A 51 1.318 0.939 -12.165 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.242 0.490 -14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.617 2.133 -14.234 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.771 0.821 -14.103 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.201 0.077 -16.397 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.022 1.367 -16.530 1.00 0.00 H new ATOM 704 N ARG A 52 1.938 -1.903 -13.765 1.00 0.00 N ATOM 705 CA ARG A 52 2.275 -3.295 -14.058 1.00 0.00 C ATOM 706 C ARG A 52 1.139 -4.235 -13.659 1.00 0.00 C ATOM 707 O ARG A 52 0.836 -5.194 -14.367 1.00 0.00 O ATOM 708 CB ARG A 52 3.567 -3.704 -13.342 1.00 0.00 C ATOM 709 CG ARG A 52 4.821 -3.076 -13.927 1.00 0.00 C ATOM 710 CD ARG A 52 6.039 -3.363 -13.066 1.00 0.00 C ATOM 711 NE ARG A 52 7.275 -2.886 -13.682 1.00 0.00 N ATOM 712 CZ ARG A 52 7.681 -1.619 -13.648 1.00 0.00 C ATOM 713 NH1 ARG A 52 6.931 -0.693 -13.063 1.00 0.00 N ATOM 714 NH2 ARG A 52 8.834 -1.278 -14.209 1.00 0.00 N ATOM 0 H ARG A 52 2.486 -1.486 -13.013 1.00 0.00 H new ATOM 0 HA ARG A 52 2.427 -3.376 -15.134 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.491 -3.428 -12.290 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.664 -4.789 -13.380 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.986 -3.460 -14.933 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.682 -1.999 -14.016 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.914 -2.889 -12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.113 -4.436 -12.891 1.00 0.00 H new ATOM 0 HE ARG A 52 7.862 -3.565 -14.167 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.041 -0.952 -12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.245 0.277 -13.039 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.408 -1.987 -14.666 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.146 -0.307 -14.184 1.00 0.00 H new ATOM 851 N ASP A 61 -5.841 8.678 -14.892 1.00 0.00 N ATOM 852 CA ASP A 61 -6.447 9.991 -14.672 1.00 0.00 C ATOM 853 C ASP A 61 -6.694 10.218 -13.182 1.00 0.00 C ATOM 854 O ASP A 61 -6.380 11.277 -12.642 1.00 0.00 O ATOM 855 CB ASP A 61 -7.760 10.107 -15.453 1.00 0.00 C ATOM 856 CG ASP A 61 -8.393 11.479 -15.332 1.00 0.00 C ATOM 857 OD1 ASP A 61 -7.768 12.462 -15.781 1.00 0.00 O ATOM 858 OD2 ASP A 61 -9.520 11.567 -14.802 1.00 0.00 O ATOM 0 HA ASP A 61 -5.759 10.757 -15.031 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.573 9.889 -16.504 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.461 9.355 -15.091 1.00 0.00 H new ATOM 863 N HIS A 62 -7.252 9.202 -12.526 1.00 0.00 N ATOM 864 CA HIS A 62 -7.537 9.264 -11.098 1.00 0.00 C ATOM 865 C HIS A 62 -6.253 9.126 -10.277 1.00 0.00 C ATOM 866 O HIS A 62 -6.189 9.589 -9.134 1.00 0.00 O ATOM 867 CB HIS A 62 -8.547 8.184 -10.704 1.00 0.00 C ATOM 868 CG HIS A 62 -9.395 8.563 -9.528 1.00 0.00 C ATOM 869 ND1 HIS A 62 -10.332 9.572 -9.554 1.00 0.00 N ATOM 870 CD2 HIS A 62 -9.435 8.048 -8.274 1.00 0.00 C ATOM 871 CE1 HIS A 62 -10.899 9.638 -8.342 1.00 0.00 C ATOM 872 NE2 HIS A 62 -10.390 8.734 -7.528 1.00 0.00 N ATOM 0 H HIS A 62 -7.516 8.321 -12.967 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.973 10.239 -10.882 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.194 7.973 -11.556 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.012 7.263 -10.475 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.823 7.235 -7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.672 10.340 -8.067 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.643 8.571 -6.554 1.00 0.00 H new ATOM 879 N ILE A 63 -5.233 8.482 -10.857 1.00 0.00 N ATOM 880 CA ILE A 63 -3.948 8.304 -10.175 1.00 0.00 C ATOM 881 C ILE A 63 -3.337 9.667 -9.836 1.00 0.00 C ATOM 882 O ILE A 63 -2.804 9.874 -8.746 1.00 0.00 O ATOM 883 CB ILE A 63 -2.944 7.474 -11.021 1.00 0.00 C ATOM 884 CG1 ILE A 63 -3.389 6.010 -11.102 1.00 0.00 C ATOM 885 CG2 ILE A 63 -1.536 7.563 -10.444 1.00 0.00 C ATOM 886 CD1 ILE A 63 -2.582 5.178 -12.079 1.00 0.00 C ATOM 0 H ILE A 63 -5.273 8.078 -11.793 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.144 7.749 -9.258 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.929 7.893 -12.027 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.315 5.562 -10.111 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.440 5.975 -11.391 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.854 6.973 -11.056 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.210 8.603 -10.438 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.535 7.177 -9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.956 4.154 -12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.675 5.600 -13.080 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.534 5.181 -11.780 1.00 0.00 H new ATOM 898 N GLU A 64 -3.401 10.586 -10.785 1.00 0.00 N ATOM 899 CA GLU A 64 -2.884 11.933 -10.582 1.00 0.00 C ATOM 900 C GLU A 64 -3.709 12.691 -9.535 1.00 0.00 C ATOM 901 O GLU A 64 -3.176 13.488 -8.768 1.00 0.00 O ATOM 902 CB GLU A 64 -2.885 12.702 -11.905 1.00 0.00 C ATOM 903 CG GLU A 64 -1.861 12.192 -12.909 1.00 0.00 C ATOM 904 CD GLU A 64 -1.985 12.855 -14.267 1.00 0.00 C ATOM 905 OE1 GLU A 64 -2.998 13.548 -14.502 1.00 0.00 O ATOM 906 OE2 GLU A 64 -1.067 12.682 -15.095 1.00 0.00 O ATOM 0 H GLU A 64 -3.807 10.425 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.861 11.850 -10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.878 12.641 -12.350 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.690 13.755 -11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.859 12.363 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.978 11.114 -13.024 1.00 0.00 H new ATOM 913 N LYS A 65 -5.017 12.446 -9.531 1.00 0.00 N ATOM 914 CA LYS A 65 -5.943 13.126 -8.620 1.00 0.00 C ATOM 915 C LYS A 65 -5.688 12.856 -7.124 1.00 0.00 C ATOM 916 O LYS A 65 -5.630 13.800 -6.335 1.00 0.00 O ATOM 917 CB LYS A 65 -7.373 12.714 -8.979 1.00 0.00 C ATOM 918 CG LYS A 65 -7.843 13.264 -10.316 1.00 0.00 C ATOM 919 CD LYS A 65 -9.240 12.779 -10.665 1.00 0.00 C ATOM 920 CE LYS A 65 -9.708 13.352 -11.992 1.00 0.00 C ATOM 921 NZ LYS A 65 -11.066 12.866 -12.363 1.00 0.00 N ATOM 0 H LYS A 65 -5.466 11.775 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.782 14.195 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.435 11.626 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.049 13.057 -8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.834 14.354 -10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.147 12.962 -11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.248 11.690 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.935 13.068 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.716 14.440 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.999 13.080 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.004 12.286 -13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.454 12.293 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.690 13.679 -12.538 1.00 0.00 H new ATOM 935 N GLU A 66 -5.535 11.590 -6.720 1.00 0.00 N ATOM 936 CA GLU A 66 -5.320 11.285 -5.294 1.00 0.00 C ATOM 937 C GLU A 66 -3.844 11.264 -4.896 1.00 0.00 C ATOM 938 O GLU A 66 -3.537 11.067 -3.724 1.00 0.00 O ATOM 939 CB GLU A 66 -5.992 9.974 -4.854 1.00 0.00 C ATOM 940 CG GLU A 66 -7.307 9.677 -5.562 1.00 0.00 C ATOM 941 CD GLU A 66 -8.106 8.589 -4.871 1.00 0.00 C ATOM 942 OE1 GLU A 66 -8.787 8.899 -3.871 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.047 7.427 -5.327 1.00 0.00 O ATOM 0 H GLU A 66 -5.554 10.778 -7.337 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.799 12.110 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.303 9.148 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.172 10.014 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.904 10.588 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.103 9.376 -6.590 1.00 0.00 H new ATOM 950 N VAL A 67 -2.929 11.437 -5.852 1.00 0.00 N ATOM 951 CA VAL A 67 -1.496 11.413 -5.534 1.00 0.00 C ATOM 952 C VAL A 67 -1.146 12.448 -4.452 1.00 0.00 C ATOM 953 O VAL A 67 -0.281 12.209 -3.611 1.00 0.00 O ATOM 954 CB VAL A 67 -0.612 11.621 -6.794 1.00 0.00 C ATOM 955 CG1 VAL A 67 -0.603 13.074 -7.252 1.00 0.00 C ATOM 956 CG2 VAL A 67 0.808 11.132 -6.541 1.00 0.00 C ATOM 0 H VAL A 67 -3.147 11.593 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.279 10.419 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.050 11.029 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.028 13.173 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.619 13.385 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.211 13.705 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.411 11.287 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.242 11.689 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.789 10.070 -6.295 1.00 0.00 H new ATOM 966 N ASP A 68 -1.840 13.585 -4.470 1.00 0.00 N ATOM 967 CA ASP A 68 -1.621 14.639 -3.476 1.00 0.00 C ATOM 968 C ASP A 68 -2.515 14.428 -2.255 1.00 0.00 C ATOM 969 O ASP A 68 -2.430 15.167 -1.276 1.00 0.00 O ATOM 970 CB ASP A 68 -1.886 16.023 -4.079 1.00 0.00 C ATOM 971 CG ASP A 68 -0.822 16.447 -5.075 1.00 0.00 C ATOM 972 OD1 ASP A 68 0.255 15.816 -5.101 1.00 0.00 O ATOM 973 OD2 ASP A 68 -1.069 17.411 -5.829 1.00 0.00 O ATOM 0 H ASP A 68 -2.559 13.801 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.578 14.587 -3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.858 16.019 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.940 16.759 -3.277 1.00 0.00 H new ATOM 978 N GLN A 69 -3.375 13.416 -2.329 1.00 0.00 N ATOM 979 CA GLN A 69 -4.313 13.104 -1.253 1.00 0.00 C ATOM 980 C GLN A 69 -3.887 11.860 -0.473 1.00 0.00 C ATOM 981 O GLN A 69 -4.710 11.223 0.186 1.00 0.00 O ATOM 982 CB GLN A 69 -5.722 12.899 -1.819 1.00 0.00 C ATOM 983 CG GLN A 69 -6.274 14.111 -2.555 1.00 0.00 C ATOM 984 CD GLN A 69 -6.380 15.339 -1.671 1.00 0.00 C ATOM 985 OE1 GLN A 69 -7.038 15.312 -0.631 1.00 0.00 O ATOM 986 NE2 GLN A 69 -5.736 16.422 -2.078 1.00 0.00 N ATOM 0 H GLN A 69 -3.442 12.791 -3.132 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.314 13.950 -0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.709 12.048 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.397 12.644 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.632 14.337 -3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.259 13.870 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.202 16.401 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.774 17.277 -1.523 1.00 0.00 H new ATOM 995 N GLY A 70 -2.604 11.518 -0.535 1.00 0.00 N ATOM 996 CA GLY A 70 -2.120 10.349 0.180 1.00 0.00 C ATOM 997 C GLY A 70 -1.857 9.140 -0.704 1.00 0.00 C ATOM 998 O GLY A 70 -1.873 8.015 -0.203 1.00 0.00 O ATOM 0 H GLY A 70 -1.894 12.025 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.199 10.611 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.850 10.076 0.942 1.00 0.00 H new ATOM 1002 N LYS A 71 -1.661 9.388 -2.014 1.00 0.00 N ATOM 1003 CA LYS A 71 -1.337 8.352 -3.020 1.00 0.00 C ATOM 1004 C LYS A 71 -2.580 7.840 -3.739 1.00 0.00 C ATOM 1005 O LYS A 71 -3.648 7.692 -3.154 1.00 0.00 O ATOM 1006 CB LYS A 71 -0.555 7.167 -2.418 1.00 0.00 C ATOM 1007 CG LYS A 71 -0.385 5.962 -3.349 1.00 0.00 C ATOM 1008 CD LYS A 71 0.428 6.299 -4.598 1.00 0.00 C ATOM 1009 CE LYS A 71 1.778 6.880 -4.252 1.00 0.00 C ATOM 1010 NZ LYS A 71 1.856 8.339 -4.543 1.00 0.00 N ATOM 0 H LYS A 71 -1.724 10.326 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.694 8.845 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.433 7.518 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.064 6.838 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.106 5.154 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.367 5.595 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.563 5.398 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.126 7.009 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.984 6.711 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.551 6.357 -4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.850 8.645 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.459 8.527 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.314 8.865 -3.828 1.00 0.00 H new ATOM 1024 N SER A 72 -2.419 7.600 -5.032 1.00 0.00 N ATOM 1025 CA SER A 72 -3.484 7.074 -5.865 1.00 0.00 C ATOM 1026 C SER A 72 -2.980 5.903 -6.694 1.00 0.00 C ATOM 1027 O SER A 72 -3.737 5.006 -7.024 1.00 0.00 O ATOM 1028 CB SER A 72 -4.009 8.153 -6.787 1.00 0.00 C ATOM 1029 OG SER A 72 -5.319 7.853 -7.236 1.00 0.00 O ATOM 0 H SER A 72 -1.545 7.765 -5.531 1.00 0.00 H new ATOM 0 HA SER A 72 -4.289 6.732 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.011 9.110 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.344 8.258 -7.644 1.00 0.00 H new ATOM 0 HG SER A 72 -5.583 8.495 -7.928 1.00 0.00 H new ATOM 1035 N GLY A 73 -1.694 5.917 -7.032 1.00 0.00 N ATOM 1036 CA GLY A 73 -1.135 4.838 -7.825 1.00 0.00 C ATOM 1037 C GLY A 73 -1.415 3.475 -7.223 1.00 0.00 C ATOM 1038 O GLY A 73 -2.174 2.688 -7.780 1.00 0.00 O ATOM 0 H GLY A 73 -1.034 6.650 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.548 4.879 -8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.058 4.978 -7.916 1.00 0.00 H new ATOM 1042 N THR A 74 -0.828 3.204 -6.072 1.00 0.00 N ATOM 1043 CA THR A 74 -1.037 1.934 -5.405 1.00 0.00 C ATOM 1044 C THR A 74 -2.270 1.972 -4.498 1.00 0.00 C ATOM 1045 O THR A 74 -3.005 0.988 -4.397 1.00 0.00 O ATOM 1046 CB THR A 74 0.204 1.521 -4.591 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.367 1.597 -5.422 1.00 0.00 O ATOM 1048 CG2 THR A 74 0.063 0.102 -4.060 1.00 0.00 C ATOM 0 H THR A 74 -0.204 3.845 -5.581 1.00 0.00 H new ATOM 0 HA THR A 74 -1.207 1.189 -6.183 1.00 0.00 H new ATOM 0 HB THR A 74 0.299 2.202 -3.745 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.664 2.529 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.953 -0.163 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.813 0.040 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.052 -0.589 -4.895 1.00 0.00 H new ATOM 1056 N ARG A 75 -2.499 3.120 -3.849 1.00 0.00 N ATOM 1057 CA ARG A 75 -3.617 3.269 -2.915 1.00 0.00 C ATOM 1058 C ARG A 75 -4.970 3.053 -3.595 1.00 0.00 C ATOM 1059 O ARG A 75 -5.813 2.319 -3.081 1.00 0.00 O ATOM 1060 CB ARG A 75 -3.600 4.656 -2.264 1.00 0.00 C ATOM 1061 CG ARG A 75 -4.622 4.799 -1.148 1.00 0.00 C ATOM 1062 CD ARG A 75 -4.561 6.162 -0.485 1.00 0.00 C ATOM 1063 NE ARG A 75 -5.544 6.285 0.590 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.704 7.385 1.317 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -4.947 8.448 1.085 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -6.622 7.421 2.274 1.00 0.00 N ATOM 0 H ARG A 75 -1.925 3.957 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.489 2.501 -2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.605 4.852 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.793 5.411 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.622 4.637 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.451 4.025 -0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.561 6.327 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.738 6.937 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.140 5.482 0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.242 8.421 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.070 9.293 1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.206 6.604 2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.744 8.266 2.832 1.00 0.00 H new ATOM 1080 N GLU A 76 -5.170 3.683 -4.752 1.00 0.00 N ATOM 1081 CA GLU A 76 -6.428 3.552 -5.486 1.00 0.00 C ATOM 1082 C GLU A 76 -6.671 2.108 -5.909 1.00 0.00 C ATOM 1083 O GLU A 76 -7.791 1.611 -5.819 1.00 0.00 O ATOM 1084 CB GLU A 76 -6.433 4.462 -6.718 1.00 0.00 C ATOM 1085 CG GLU A 76 -7.703 4.366 -7.546 1.00 0.00 C ATOM 1086 CD GLU A 76 -7.619 5.126 -8.854 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -6.571 5.752 -9.117 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -8.600 5.084 -9.624 1.00 0.00 O ATOM 0 H GLU A 76 -4.480 4.287 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.233 3.856 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.298 5.495 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.580 4.210 -7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.915 3.317 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.540 4.750 -6.963 1.00 0.00 H new ATOM 1095 N LEU A 77 -5.621 1.448 -6.383 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.726 0.061 -6.820 1.00 0.00 C ATOM 1097 C LEU A 77 -6.107 -0.860 -5.659 1.00 0.00 C ATOM 1098 O LEU A 77 -6.983 -1.714 -5.798 1.00 0.00 O ATOM 1099 CB LEU A 77 -4.406 -0.392 -7.451 1.00 0.00 C ATOM 1100 CG LEU A 77 -4.387 -1.833 -7.970 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -5.430 -2.027 -9.061 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -3.004 -2.186 -8.489 1.00 0.00 C ATOM 0 H LEU A 77 -4.688 1.850 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.517 -0.001 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.170 0.277 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.612 -0.279 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.631 -2.500 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.399 -3.057 -9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.420 -1.811 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.219 -1.352 -9.890 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.004 -3.213 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.737 -1.511 -9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.277 -2.088 -7.683 1.00 0.00 H new ATOM 1114 N LEU A 78 -5.447 -0.682 -4.514 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.725 -1.505 -3.334 1.00 0.00 C ATOM 1116 C LEU A 78 -7.126 -1.220 -2.773 1.00 0.00 C ATOM 1117 O LEU A 78 -7.852 -2.137 -2.395 1.00 0.00 O ATOM 1118 CB LEU A 78 -4.647 -1.278 -2.256 1.00 0.00 C ATOM 1119 CG LEU A 78 -3.230 -1.703 -2.657 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -2.243 -1.380 -1.544 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -3.184 -3.185 -2.997 1.00 0.00 C ATOM 0 H LEU A 78 -4.720 0.020 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.698 -2.552 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.633 -0.220 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.933 -1.824 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.945 -1.142 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.242 -1.688 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.250 -0.307 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.530 -1.913 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.168 -3.462 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.492 -3.767 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.859 -3.389 -3.828 1.00 0.00 H new ATOM 1133 N TRP A 79 -7.513 0.054 -2.761 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.822 0.472 -2.241 1.00 0.00 C ATOM 1135 C TRP A 79 -9.949 0.285 -3.258 1.00 0.00 C ATOM 1136 O TRP A 79 -11.116 0.509 -2.939 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.778 1.931 -1.779 1.00 0.00 C ATOM 1138 CG TRP A 79 -8.177 2.109 -0.418 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -6.893 2.466 -0.128 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.843 1.949 0.841 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -6.717 2.533 1.235 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -7.900 2.219 1.851 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -10.146 1.602 1.212 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -8.218 2.153 3.204 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -10.460 1.537 2.556 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.500 1.812 3.538 1.00 0.00 C ATOM 0 H TRP A 79 -6.938 0.822 -3.107 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.039 -0.175 -1.391 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.205 2.515 -2.500 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.791 2.334 -1.776 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.126 2.667 -0.861 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.848 2.777 1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.893 1.389 0.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.479 2.363 3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -11.463 1.270 2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.777 1.754 4.580 1.00 0.00 H new ATOM 1157 N SER A 80 -9.596 -0.101 -4.480 1.00 0.00 N ATOM 1158 CA SER A 80 -10.579 -0.290 -5.550 1.00 0.00 C ATOM 1159 C SER A 80 -11.636 -1.335 -5.186 1.00 0.00 C ATOM 1160 O SER A 80 -12.815 -1.152 -5.486 1.00 0.00 O ATOM 1161 CB SER A 80 -9.877 -0.691 -6.851 1.00 0.00 C ATOM 1162 OG SER A 80 -10.809 -0.870 -7.907 1.00 0.00 O ATOM 0 H SER A 80 -8.633 -0.291 -4.758 1.00 0.00 H new ATOM 0 HA SER A 80 -11.091 0.662 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.154 0.076 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.319 -1.614 -6.696 1.00 0.00 H new ATOM 0 HG SER A 80 -10.332 -1.124 -8.725 1.00 0.00 H new ATOM 1168 N TRP A 81 -11.219 -2.436 -4.566 1.00 0.00 N ATOM 1169 CA TRP A 81 -12.164 -3.481 -4.181 1.00 0.00 C ATOM 1170 C TRP A 81 -12.794 -3.170 -2.819 1.00 0.00 C ATOM 1171 O TRP A 81 -13.843 -2.534 -2.745 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.465 -4.844 -4.152 1.00 0.00 C ATOM 1173 CG TRP A 81 -11.336 -5.472 -5.506 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -10.215 -5.520 -6.284 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.364 -6.148 -6.239 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.484 -6.183 -7.457 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.796 -6.578 -7.454 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.710 -6.430 -5.987 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.528 -7.275 -8.412 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.435 -7.122 -6.939 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.843 -7.538 -8.139 1.00 0.00 C ATOM 0 H TRP A 81 -10.247 -2.627 -4.322 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.962 -3.514 -4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.472 -4.726 -3.717 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.021 -5.516 -3.499 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -9.257 -5.099 -6.017 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.815 -6.353 -8.208 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.175 -6.113 -5.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.074 -7.597 -9.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.475 -7.346 -6.755 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.436 -8.077 -8.863 1.00 0.00 H new ATOM 1192 N ALA A 82 -12.159 -3.632 -1.745 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.652 -3.368 -0.396 1.00 0.00 C ATOM 1194 C ALA A 82 -11.745 -2.355 0.291 1.00 0.00 C ATOM 1195 O ALA A 82 -11.995 -1.151 0.256 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.737 -4.661 0.407 1.00 0.00 C ATOM 0 H ALA A 82 -11.305 -4.189 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.657 -2.951 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.106 -4.443 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.418 -5.353 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.747 -5.113 0.475 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.692 -2.860 0.924 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.707 -2.011 1.579 1.00 0.00 C ATOM 1204 C GLN A 83 -8.381 -2.166 0.846 1.00 0.00 C ATOM 1205 O GLN A 83 -7.768 -1.187 0.433 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.575 -2.364 3.061 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.868 -2.163 3.840 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.701 -2.391 5.326 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -9.876 -1.750 5.973 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.486 -3.306 5.880 1.00 0.00 N ATOM 0 H GLN A 83 -10.499 -3.859 0.997 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.026 -0.970 1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.259 -3.403 3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.791 -1.752 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.234 -1.150 3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.627 -2.844 3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.158 -3.816 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.417 -3.499 6.879 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.934 -3.413 0.716 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.726 -3.716 -0.038 1.00 0.00 C ATOM 1221 C LYS A 84 -7.008 -4.884 -0.988 1.00 0.00 C ATOM 1222 O LYS A 84 -6.623 -4.853 -2.157 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.543 -4.032 0.896 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.428 -4.827 0.229 1.00 0.00 C ATOM 1225 CD LYS A 84 -3.122 -4.758 1.003 1.00 0.00 C ATOM 1226 CE LYS A 84 -3.223 -5.472 2.337 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.805 -6.836 2.198 1.00 0.00 N ATOM 0 H LYS A 84 -8.392 -4.228 1.124 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.442 -2.839 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.132 -3.097 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.911 -4.591 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.736 -5.868 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.269 -4.448 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.324 -5.205 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.851 -3.715 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.232 -5.545 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.838 -4.883 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.321 -7.488 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.819 -6.806 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.682 -7.168 1.220 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.708 -5.900 -0.457 1.00 0.00 N ATOM 1242 CA ASN A 85 -8.105 -7.104 -1.212 1.00 0.00 C ATOM 1243 C ASN A 85 -6.932 -7.697 -1.992 1.00 0.00 C ATOM 1244 O ASN A 85 -7.104 -8.243 -3.082 1.00 0.00 O ATOM 1245 CB ASN A 85 -9.265 -6.798 -2.160 1.00 0.00 C ATOM 1246 CG ASN A 85 -10.046 -8.047 -2.529 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.307 -8.897 -1.680 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.416 -8.171 -3.796 1.00 0.00 N ATOM 0 H ASN A 85 -8.017 -5.911 0.515 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.433 -7.845 -0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.935 -6.077 -1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.879 -6.332 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.937 -8.995 -4.097 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.180 -7.443 -4.470 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.745 -7.593 -1.424 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.539 -8.099 -2.055 1.00 0.00 C ATOM 1257 C LYS A 86 -3.653 -8.758 -1.015 1.00 0.00 C ATOM 1258 O LYS A 86 -3.915 -8.653 0.181 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.774 -6.959 -2.741 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.730 -7.063 -4.258 1.00 0.00 C ATOM 1261 CD LYS A 86 -5.021 -6.572 -4.893 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.267 -7.234 -6.240 1.00 0.00 C ATOM 1263 NZ LYS A 86 -4.129 -7.028 -7.179 1.00 0.00 N ATOM 0 H LYS A 86 -5.589 -7.157 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.821 -8.834 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.235 -6.010 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.753 -6.940 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.892 -6.479 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.554 -8.099 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.858 -6.780 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.976 -5.490 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.429 -8.302 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.179 -6.831 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.425 -7.280 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.837 -6.030 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.330 -7.629 -6.893 1.00 0.00 H new ATOM 1277 N THR A 87 -2.607 -9.431 -1.459 1.00 0.00 N ATOM 1278 CA THR A 87 -1.694 -10.076 -0.535 1.00 0.00 C ATOM 1279 C THR A 87 -0.264 -9.634 -0.808 1.00 0.00 C ATOM 1280 O THR A 87 0.053 -9.160 -1.904 1.00 0.00 O ATOM 1281 CB THR A 87 -1.778 -11.615 -0.608 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.387 -12.072 -1.910 1.00 0.00 O ATOM 1283 CG2 THR A 87 -3.188 -12.102 -0.300 1.00 0.00 C ATOM 0 H THR A 87 -2.370 -9.544 -2.445 1.00 0.00 H new ATOM 0 HA THR A 87 -1.991 -9.771 0.468 1.00 0.00 H new ATOM 0 HB THR A 87 -1.098 -12.023 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.443 -13.050 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.218 -13.190 -0.359 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.471 -11.785 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.885 -11.680 -1.024 1.00 0.00 H new ATOM 1291 N ILE A 88 0.591 -9.793 0.194 1.00 0.00 N ATOM 1292 CA ILE A 88 1.995 -9.412 0.091 1.00 0.00 C ATOM 1293 C ILE A 88 2.697 -10.169 -1.035 1.00 0.00 C ATOM 1294 O ILE A 88 3.481 -9.583 -1.780 1.00 0.00 O ATOM 1295 CB ILE A 88 2.711 -9.607 1.457 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.473 -8.380 2.355 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.198 -9.871 1.284 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.054 -8.240 2.860 1.00 0.00 C ATOM 0 H ILE A 88 0.333 -10.188 1.098 1.00 0.00 H new ATOM 0 HA ILE A 88 2.046 -8.353 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 88 2.284 -10.487 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.146 -8.435 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.738 -7.481 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.661 -10.001 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.341 -10.775 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.661 -9.026 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.976 -7.350 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.374 -8.150 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.788 -9.119 3.447 1.00 0.00 H new ATOM 1310 N GLY A 89 2.384 -11.455 -1.183 1.00 0.00 N ATOM 1311 CA GLY A 89 2.989 -12.252 -2.239 1.00 0.00 C ATOM 1312 C GLY A 89 2.671 -11.718 -3.628 1.00 0.00 C ATOM 1313 O GLY A 89 3.529 -11.723 -4.514 1.00 0.00 O ATOM 0 H GLY A 89 1.723 -11.959 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.070 -12.273 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.638 -13.281 -2.160 1.00 0.00 H new ATOM 1317 N ASP A 90 1.431 -11.266 -3.819 1.00 0.00 N ATOM 1318 CA ASP A 90 0.990 -10.720 -5.104 1.00 0.00 C ATOM 1319 C ASP A 90 1.757 -9.447 -5.474 1.00 0.00 C ATOM 1320 O ASP A 90 2.185 -9.282 -6.617 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.512 -10.424 -5.066 1.00 0.00 C ATOM 1322 CG ASP A 90 -1.051 -9.974 -6.412 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.996 -10.772 -7.370 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.538 -8.826 -6.502 1.00 0.00 O ATOM 0 H ASP A 90 0.711 -11.267 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 90 1.196 -11.471 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.047 -11.318 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.708 -9.651 -4.323 1.00 0.00 H new ATOM 1329 N LEU A 91 1.930 -8.554 -4.502 1.00 0.00 N ATOM 1330 CA LEU A 91 2.639 -7.290 -4.732 1.00 0.00 C ATOM 1331 C LEU A 91 4.148 -7.502 -4.858 1.00 0.00 C ATOM 1332 O LEU A 91 4.828 -6.733 -5.531 1.00 0.00 O ATOM 1333 CB LEU A 91 2.344 -6.284 -3.614 1.00 0.00 C ATOM 1334 CG LEU A 91 1.489 -5.067 -4.011 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.181 -4.248 -5.086 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.109 -5.508 -4.480 1.00 0.00 C ATOM 0 H LEU A 91 1.591 -8.679 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 91 2.273 -6.886 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.839 -6.809 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.293 -5.923 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 91 1.367 -4.438 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.558 -3.394 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.142 -3.894 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.341 -4.867 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.479 -4.632 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.211 -6.164 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.394 -6.044 -3.676 1.00 0.00 H new ATOM 1348 N LEU A 92 4.667 -8.551 -4.223 1.00 0.00 N ATOM 1349 CA LEU A 92 6.101 -8.852 -4.278 1.00 0.00 C ATOM 1350 C LEU A 92 6.564 -9.101 -5.710 1.00 0.00 C ATOM 1351 O LEU A 92 7.703 -8.787 -6.064 1.00 0.00 O ATOM 1352 CB LEU A 92 6.453 -10.058 -3.402 1.00 0.00 C ATOM 1353 CG LEU A 92 6.426 -9.810 -1.893 1.00 0.00 C ATOM 1354 CD1 LEU A 92 6.587 -11.120 -1.137 1.00 0.00 C ATOM 1355 CD2 LEU A 92 7.515 -8.825 -1.492 1.00 0.00 C ATOM 0 H LEU A 92 4.120 -9.207 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 92 6.623 -7.977 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.758 -10.866 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.449 -10.406 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 92 5.460 -9.377 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.566 -10.926 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.772 -11.794 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.539 -11.579 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.479 -8.662 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.490 -9.229 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.357 -7.878 -2.008 1.00 0.00 H new ATOM 1367 N GLN A 93 5.680 -9.670 -6.524 1.00 0.00 N ATOM 1368 CA GLN A 93 5.993 -9.971 -7.918 1.00 0.00 C ATOM 1369 C GLN A 93 6.332 -8.700 -8.704 1.00 0.00 C ATOM 1370 O GLN A 93 7.279 -8.683 -9.492 1.00 0.00 O ATOM 1371 CB GLN A 93 4.801 -10.677 -8.564 1.00 0.00 C ATOM 1372 CG GLN A 93 4.549 -12.070 -8.011 1.00 0.00 C ATOM 1373 CD GLN A 93 3.338 -12.734 -8.633 1.00 0.00 C ATOM 1374 OE1 GLN A 93 3.290 -12.963 -9.839 1.00 0.00 O ATOM 1375 NE2 GLN A 93 2.342 -13.032 -7.809 1.00 0.00 N ATOM 0 H GLN A 93 4.736 -9.933 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 93 6.868 -10.621 -7.940 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.907 -10.070 -8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.969 -10.746 -9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.428 -12.690 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.411 -12.009 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.424 -12.824 -6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.494 -13.469 -8.171 1.00 0.00 H new ATOM 1384 N VAL A 94 5.564 -7.631 -8.484 1.00 0.00 N ATOM 1385 CA VAL A 94 5.816 -6.365 -9.171 1.00 0.00 C ATOM 1386 C VAL A 94 6.845 -5.518 -8.421 1.00 0.00 C ATOM 1387 O VAL A 94 7.496 -4.656 -9.014 1.00 0.00 O ATOM 1388 CB VAL A 94 4.524 -5.550 -9.400 1.00 0.00 C ATOM 1389 CG1 VAL A 94 3.651 -6.230 -10.444 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.752 -5.361 -8.104 1.00 0.00 C ATOM 0 H VAL A 94 4.771 -7.617 -7.843 1.00 0.00 H new ATOM 0 HA VAL A 94 6.221 -6.625 -10.149 1.00 0.00 H new ATOM 0 HB VAL A 94 4.809 -4.563 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.744 -5.646 -10.596 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.198 -6.303 -11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.385 -7.230 -10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.848 -4.784 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.479 -6.335 -7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.374 -4.829 -7.384 1.00 0.00 H new ATOM 1400 N LEU A 95 6.986 -5.768 -7.117 1.00 0.00 N ATOM 1401 CA LEU A 95 7.956 -5.044 -6.293 1.00 0.00 C ATOM 1402 C LEU A 95 9.370 -5.300 -6.796 1.00 0.00 C ATOM 1403 O LEU A 95 10.186 -4.381 -6.881 1.00 0.00 O ATOM 1404 CB LEU A 95 7.850 -5.477 -4.825 1.00 0.00 C ATOM 1405 CG LEU A 95 7.117 -4.510 -3.883 1.00 0.00 C ATOM 1406 CD1 LEU A 95 5.841 -3.984 -4.516 1.00 0.00 C ATOM 1407 CD2 LEU A 95 6.804 -5.200 -2.564 1.00 0.00 C ATOM 0 H LEU A 95 6.441 -6.465 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 95 7.734 -3.979 -6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.343 -6.441 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.858 -5.632 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 95 7.773 -3.660 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.346 -3.303 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.084 -3.454 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.176 -4.818 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.284 -4.505 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.171 -6.068 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.732 -5.522 -2.093 1.00 0.00 H new ATOM 1419 N GLN A 96 9.650 -6.562 -7.118 1.00 0.00 N ATOM 1420 CA GLN A 96 10.957 -6.955 -7.633 1.00 0.00 C ATOM 1421 C GLN A 96 11.211 -6.325 -9.002 1.00 0.00 C ATOM 1422 O GLN A 96 12.324 -5.891 -9.296 1.00 0.00 O ATOM 1423 CB GLN A 96 11.052 -8.479 -7.734 1.00 0.00 C ATOM 1424 CG GLN A 96 11.086 -9.178 -6.383 1.00 0.00 C ATOM 1425 CD GLN A 96 11.194 -10.685 -6.509 1.00 0.00 C ATOM 1426 OE1 GLN A 96 12.014 -11.200 -7.268 1.00 0.00 O ATOM 1427 NE2 GLN A 96 10.361 -11.403 -5.768 1.00 0.00 N ATOM 0 H GLN A 96 8.985 -7.331 -7.030 1.00 0.00 H new ATOM 0 HA GLN A 96 11.718 -6.597 -6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.201 -8.851 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.950 -8.742 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.931 -8.804 -5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.183 -8.927 -5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.696 -10.937 -5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.385 -12.422 -5.815 1.00 0.00 H new ATOM 1436 N GLU A 97 10.167 -6.288 -9.832 1.00 0.00 N ATOM 1437 CA GLU A 97 10.264 -5.706 -11.171 1.00 0.00 C ATOM 1438 C GLU A 97 10.562 -4.209 -11.098 1.00 0.00 C ATOM 1439 O GLU A 97 11.390 -3.693 -11.848 1.00 0.00 O ATOM 1440 CB GLU A 97 8.955 -5.938 -11.938 1.00 0.00 C ATOM 1441 CG GLU A 97 8.716 -7.393 -12.322 1.00 0.00 C ATOM 1442 CD GLU A 97 9.811 -7.957 -13.206 1.00 0.00 C ATOM 1443 OE1 GLU A 97 10.156 -7.305 -14.214 1.00 0.00 O ATOM 1444 OE2 GLU A 97 10.322 -9.051 -12.890 1.00 0.00 O ATOM 0 H GLU A 97 9.244 -6.655 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 97 11.085 -6.194 -11.696 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.121 -5.592 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.962 -5.330 -12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.641 -7.995 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.760 -7.475 -12.839 1.00 0.00 H new ATOM 1451 N MET A 98 9.866 -3.521 -10.197 1.00 0.00 N ATOM 1452 CA MET A 98 10.055 -2.086 -10.006 1.00 0.00 C ATOM 1453 C MET A 98 11.389 -1.780 -9.327 1.00 0.00 C ATOM 1454 O MET A 98 12.068 -0.813 -9.675 1.00 0.00 O ATOM 1455 CB MET A 98 8.902 -1.499 -9.188 1.00 0.00 C ATOM 1456 CG MET A 98 8.885 0.022 -9.166 1.00 0.00 C ATOM 1457 SD MET A 98 8.672 0.732 -10.810 1.00 0.00 S ATOM 1458 CE MET A 98 10.243 1.564 -11.034 1.00 0.00 C ATOM 0 H MET A 98 9.163 -3.936 -9.585 1.00 0.00 H new ATOM 0 HA MET A 98 10.066 -1.622 -10.992 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.958 -1.859 -9.596 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.968 -1.868 -8.165 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.078 0.364 -8.518 1.00 0.00 H new ATOM 0 HG3 MET A 98 9.817 0.387 -8.734 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.150 2.312 -11.822 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.532 2.052 -10.103 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.004 0.835 -11.314 1.00 0.00 H new ATOM 1468 N GLY A 99 11.761 -2.611 -8.361 1.00 0.00 N ATOM 1469 CA GLY A 99 12.995 -2.392 -7.630 1.00 0.00 C ATOM 1470 C GLY A 99 12.745 -1.676 -6.317 1.00 0.00 C ATOM 1471 O GLY A 99 13.570 -0.883 -5.862 1.00 0.00 O ATOM 0 H GLY A 99 11.231 -3.432 -8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.479 -3.349 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.681 -1.805 -8.241 1.00 0.00 H new ATOM 1475 N HIS A 100 11.593 -1.959 -5.713 1.00 0.00 N ATOM 1476 CA HIS A 100 11.204 -1.336 -4.448 1.00 0.00 C ATOM 1477 C HIS A 100 11.967 -1.943 -3.271 1.00 0.00 C ATOM 1478 O HIS A 100 11.494 -2.878 -2.620 1.00 0.00 O ATOM 1479 CB HIS A 100 9.701 -1.496 -4.226 1.00 0.00 C ATOM 1480 CG HIS A 100 9.091 -0.396 -3.416 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.677 0.148 -2.294 1.00 0.00 N ATOM 1482 CD2 HIS A 100 7.900 0.235 -3.559 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.839 1.067 -1.799 1.00 0.00 C ATOM 1484 NE2 HIS A 100 7.747 1.158 -2.529 1.00 0.00 N ATOM 0 H HIS A 100 10.908 -2.620 -6.081 1.00 0.00 H new ATOM 0 HA HIS A 100 11.454 -0.277 -4.506 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.203 -1.541 -5.194 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.516 -2.448 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.184 0.051 -4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.033 1.657 -0.916 1.00 0.00 H new ATOM 0 HE2 HIS A 100 6.952 1.778 -2.372 1.00 0.00 H new ATOM 1491 N ARG A 101 13.152 -1.403 -3.014 1.00 0.00 N ATOM 1492 CA ARG A 101 14.008 -1.865 -1.924 1.00 0.00 C ATOM 1493 C ARG A 101 13.386 -1.623 -0.546 1.00 0.00 C ATOM 1494 O ARG A 101 13.470 -2.477 0.338 1.00 0.00 O ATOM 1495 CB ARG A 101 15.349 -1.143 -2.002 1.00 0.00 C ATOM 1496 CG ARG A 101 16.202 -1.561 -3.188 1.00 0.00 C ATOM 1497 CD ARG A 101 17.508 -0.784 -3.235 1.00 0.00 C ATOM 1498 NE ARG A 101 18.341 -1.183 -4.365 1.00 0.00 N ATOM 1499 CZ ARG A 101 19.527 -0.645 -4.634 1.00 0.00 C ATOM 1500 NH1 ARG A 101 20.015 0.314 -3.857 1.00 0.00 N ATOM 1501 NH2 ARG A 101 20.226 -1.065 -5.681 1.00 0.00 N ATOM 0 H ARG A 101 13.548 -0.633 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 101 14.136 -2.941 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.170 -0.069 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.905 -1.328 -1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.414 -2.628 -3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 101 15.647 -1.399 -4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.293 0.283 -3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.057 -0.941 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 101 17.994 -1.916 -4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.480 0.640 -3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.925 0.725 -4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.854 -1.801 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.136 -0.651 -5.886 1.00 0.00 H new ATOM 1515 N ARG A 102 12.767 -0.456 -0.372 1.00 0.00 N ATOM 1516 CA ARG A 102 12.154 -0.090 0.907 1.00 0.00 C ATOM 1517 C ARG A 102 10.994 -1.020 1.258 1.00 0.00 C ATOM 1518 O ARG A 102 10.822 -1.403 2.419 1.00 0.00 O ATOM 1519 CB ARG A 102 11.673 1.363 0.878 1.00 0.00 C ATOM 1520 CG ARG A 102 11.180 1.864 2.229 1.00 0.00 C ATOM 1521 CD ARG A 102 12.298 1.855 3.261 1.00 0.00 C ATOM 1522 NE ARG A 102 11.906 2.507 4.506 1.00 0.00 N ATOM 1523 CZ ARG A 102 12.629 2.463 5.620 1.00 0.00 C ATOM 1524 NH1 ARG A 102 13.766 1.780 5.651 1.00 0.00 N ATOM 1525 NH2 ARG A 102 12.212 3.104 6.704 1.00 0.00 N ATOM 0 H ARG A 102 12.676 0.253 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 102 12.917 -0.195 1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.489 2.001 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.869 1.457 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.787 2.875 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.358 1.237 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.590 0.826 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.173 2.358 2.850 1.00 0.00 H new ATOM 0 HE ARG A 102 11.028 3.026 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.087 1.287 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.319 1.748 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.338 3.629 6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.765 3.072 7.560 1.00 0.00 H new ATOM 1539 N ALA A 103 10.202 -1.377 0.250 1.00 0.00 N ATOM 1540 CA ALA A 103 9.055 -2.260 0.451 1.00 0.00 C ATOM 1541 C ALA A 103 9.503 -3.611 0.986 1.00 0.00 C ATOM 1542 O ALA A 103 8.837 -4.198 1.826 1.00 0.00 O ATOM 1543 CB ALA A 103 8.276 -2.444 -0.838 1.00 0.00 C ATOM 0 H ALA A 103 10.333 -1.069 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 103 8.400 -1.791 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.428 -3.105 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.914 -1.476 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.925 -2.883 -1.596 1.00 0.00 H new ATOM 1549 N ILE A 104 10.633 -4.099 0.480 1.00 0.00 N ATOM 1550 CA ILE A 104 11.184 -5.377 0.918 1.00 0.00 C ATOM 1551 C ILE A 104 11.518 -5.327 2.412 1.00 0.00 C ATOM 1552 O ILE A 104 11.240 -6.267 3.155 1.00 0.00 O ATOM 1553 CB ILE A 104 12.450 -5.745 0.105 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.074 -6.037 -1.351 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.163 -6.947 0.716 1.00 0.00 C ATOM 1556 CD1 ILE A 104 13.266 -6.137 -2.279 1.00 0.00 C ATOM 0 H ILE A 104 11.186 -3.627 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 104 10.431 -6.146 0.746 1.00 0.00 H new ATOM 0 HB ILE A 104 13.132 -4.896 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.514 -6.971 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 104 11.410 -5.251 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.048 -7.184 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.461 -6.713 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.490 -7.805 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.922 -6.345 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.815 -5.196 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.920 -6.942 -1.945 1.00 0.00 H new ATOM 1568 N HIS A 105 12.127 -4.224 2.837 1.00 0.00 N ATOM 1569 CA HIS A 105 12.491 -4.034 4.239 1.00 0.00 C ATOM 1570 C HIS A 105 11.248 -4.041 5.143 1.00 0.00 C ATOM 1571 O HIS A 105 11.214 -4.729 6.163 1.00 0.00 O ATOM 1572 CB HIS A 105 13.261 -2.715 4.401 1.00 0.00 C ATOM 1573 CG HIS A 105 13.691 -2.420 5.808 1.00 0.00 C ATOM 1574 ND1 HIS A 105 14.701 -3.093 6.460 1.00 0.00 N ATOM 1575 CD2 HIS A 105 13.228 -1.497 6.689 1.00 0.00 C ATOM 1576 CE1 HIS A 105 14.817 -2.571 7.688 1.00 0.00 C ATOM 1577 NE2 HIS A 105 13.946 -1.598 7.878 1.00 0.00 N ATOM 0 H HIS A 105 12.380 -3.445 2.229 1.00 0.00 H new ATOM 0 HA HIS A 105 13.129 -4.864 4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.144 -2.742 3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 105 12.635 -1.896 4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.429 -0.795 6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 105 15.531 -2.903 8.427 1.00 0.00 H new ATOM 0 HE2 HIS A 105 13.824 -1.036 8.721 1.00 0.00 H new ATOM 1584 N LEU A 106 10.224 -3.283 4.748 1.00 0.00 N ATOM 1585 CA LEU A 106 8.986 -3.186 5.529 1.00 0.00 C ATOM 1586 C LEU A 106 8.071 -4.404 5.351 1.00 0.00 C ATOM 1587 O LEU A 106 7.228 -4.679 6.206 1.00 0.00 O ATOM 1588 CB LEU A 106 8.229 -1.905 5.160 1.00 0.00 C ATOM 1589 CG LEU A 106 7.967 -0.929 6.319 1.00 0.00 C ATOM 1590 CD1 LEU A 106 7.657 -1.676 7.608 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.158 -0.001 6.512 1.00 0.00 C ATOM 0 H LEU A 106 10.226 -2.727 3.893 1.00 0.00 H new ATOM 0 HA LEU A 106 9.277 -3.157 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.793 -1.381 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.271 -2.184 4.721 1.00 0.00 H new ATOM 0 HG LEU A 106 7.094 -0.328 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.476 -0.960 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.770 -2.293 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.502 -2.311 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.956 0.683 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.046 -0.591 6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.326 0.570 5.599 1.00 0.00 H new ATOM 1603 N ILE A 107 8.232 -5.128 4.245 1.00 0.00 N ATOM 1604 CA ILE A 107 7.407 -6.306 3.962 1.00 0.00 C ATOM 1605 C ILE A 107 7.620 -7.405 5.009 1.00 0.00 C ATOM 1606 O ILE A 107 6.776 -8.287 5.178 1.00 0.00 O ATOM 1607 CB ILE A 107 7.661 -6.862 2.534 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.379 -7.450 1.957 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.770 -7.907 2.518 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.519 -6.431 1.239 1.00 0.00 C ATOM 0 H ILE A 107 8.927 -4.921 3.528 1.00 0.00 H new ATOM 0 HA ILE A 107 6.368 -5.980 4.014 1.00 0.00 H new ATOM 0 HB ILE A 107 7.985 -6.027 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.636 -8.251 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.800 -7.900 2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.914 -8.269 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.696 -7.460 2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.494 -8.741 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.623 -6.918 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.233 -5.642 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.081 -5.999 0.411 1.00 0.00 H new ATOM 1622 N THR A 108 8.746 -7.331 5.721 1.00 0.00 N ATOM 1623 CA THR A 108 9.079 -8.308 6.756 1.00 0.00 C ATOM 1624 C THR A 108 8.131 -8.201 7.951 1.00 0.00 C ATOM 1625 O THR A 108 8.109 -9.077 8.817 1.00 0.00 O ATOM 1626 CB THR A 108 10.531 -8.136 7.247 1.00 0.00 C ATOM 1627 OG1 THR A 108 10.708 -6.829 7.812 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.519 -8.337 6.107 1.00 0.00 C ATOM 0 H THR A 108 9.446 -6.599 5.598 1.00 0.00 H new ATOM 0 HA THR A 108 8.971 -9.293 6.302 1.00 0.00 H new ATOM 0 HB THR A 108 10.722 -8.891 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.820 -6.174 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.535 -8.210 6.480 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.405 -9.341 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.326 -7.603 5.324 1.00 0.00 H new ATOM 1636 N ASN A 109 7.359 -7.114 7.997 1.00 0.00 N ATOM 1637 CA ASN A 109 6.398 -6.894 9.076 1.00 0.00 C ATOM 1638 C ASN A 109 5.234 -7.883 8.968 1.00 0.00 C ATOM 1639 O ASN A 109 4.603 -8.227 9.968 1.00 0.00 O ATOM 1640 CB ASN A 109 5.883 -5.449 9.034 1.00 0.00 C ATOM 1641 CG ASN A 109 4.927 -5.126 10.166 1.00 0.00 C ATOM 1642 OD1 ASN A 109 3.717 -5.033 9.963 1.00 0.00 O ATOM 1643 ND2 ASN A 109 5.465 -4.949 11.367 1.00 0.00 N ATOM 0 H ASN A 109 7.382 -6.372 7.298 1.00 0.00 H new ATOM 0 HA ASN A 109 6.898 -7.060 10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.731 -4.766 9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.381 -5.276 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 109 4.870 -4.727 12.165 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.474 -5.035 11.492 1.00 0.00 H new ATOM 1650 N TYR A 110 4.957 -8.331 7.745 1.00 0.00 N ATOM 1651 CA TYR A 110 3.882 -9.290 7.498 1.00 0.00 C ATOM 1652 C TYR A 110 4.251 -10.668 8.047 1.00 0.00 C ATOM 1653 O TYR A 110 5.331 -11.191 7.765 1.00 0.00 O ATOM 1654 CB TYR A 110 3.589 -9.371 5.994 1.00 0.00 C ATOM 1655 CG TYR A 110 2.612 -10.460 5.602 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.251 -10.338 5.861 1.00 0.00 C ATOM 1657 CD2 TYR A 110 3.055 -11.612 4.960 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.364 -11.333 5.494 1.00 0.00 C ATOM 1659 CE2 TYR A 110 2.172 -12.610 4.593 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.829 -12.465 4.861 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.052 -13.455 4.494 1.00 0.00 O ATOM 0 H TYR A 110 5.464 -8.044 6.907 1.00 0.00 H new ATOM 0 HA TYR A 110 2.984 -8.949 8.014 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.196 -8.411 5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.527 -9.533 5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.881 -9.452 6.356 1.00 0.00 H new ATOM 0 HD2 TYR A 110 4.107 -11.728 4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.690 -11.223 5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.534 -13.499 4.098 1.00 0.00 H new ATOM 0 HH TYR A 110 0.438 -14.183 4.058 1.00 0.00 H new