USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 688 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 31 ASN : amide:sc= -0.241 K(o=-1.2,f=-3.6!) USER MOD Set 1.2: A 44 SER OG : rot 150:sc= -0.951 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -0.588 K(o=-0.59,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 60:sc= 0.952 USER MOD Single : A 26 THR OG1 : rot -170:sc= 0 USER MOD Single : A 55 SER OG : rot -109:sc= -0.938 USER MOD Single : A 66 SER OG : rot 180:sc=-0.000693 USER MOD Single : A 68 ASN : amide:sc= -4.87! C(o=-4.9!,f=-9.6!) USER MOD Single : A 71 ASN : amide:sc= -0.321 K(o=-0.32,f=-3.3) USER MOD Single : A 74 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.35) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 77 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-4.6!) USER MOD Single : A 79 GLN : amide:sc= -0.0721 K(o=-0.072,f=-4.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0865 K(o=-0.087,f=-1.6) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00605 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.4!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 66:sc= 0.442 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.102 10.718 -8.629 1.00 0.00 N ATOM 165 CA GLU A 15 -6.379 9.368 -9.087 1.00 0.00 C ATOM 166 C GLU A 15 -5.283 8.411 -8.612 1.00 0.00 C ATOM 167 O GLU A 15 -4.277 8.843 -8.053 1.00 0.00 O ATOM 168 CB GLU A 15 -6.522 9.324 -10.610 1.00 0.00 C ATOM 169 CG GLU A 15 -7.977 9.085 -11.017 1.00 0.00 C ATOM 170 CD GLU A 15 -8.088 8.810 -12.518 1.00 0.00 C ATOM 171 OE1 GLU A 15 -7.906 7.631 -12.894 1.00 0.00 O ATOM 172 OE2 GLU A 15 -8.354 9.783 -13.256 1.00 0.00 O ATOM 0 HA GLU A 15 -7.327 9.047 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.170 10.262 -11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.892 8.532 -11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.381 8.241 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.579 9.956 -10.758 1.00 0.00 H new ATOM 179 N PRO A 16 -5.523 7.095 -8.858 1.00 0.00 N ATOM 180 CA PRO A 16 -4.569 6.073 -8.461 1.00 0.00 C ATOM 181 C PRO A 16 -3.357 6.063 -9.395 1.00 0.00 C ATOM 182 O PRO A 16 -3.501 6.223 -10.606 1.00 0.00 O ATOM 183 CB PRO A 16 -5.353 4.771 -8.490 1.00 0.00 C ATOM 184 CG PRO A 16 -6.581 5.042 -9.344 1.00 0.00 C ATOM 185 CD PRO A 16 -6.705 6.547 -9.518 1.00 0.00 C ATOM 0 HA PRO A 16 -4.151 6.249 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.754 3.964 -8.912 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.637 4.464 -7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.488 4.552 -10.313 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.474 4.638 -8.867 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.734 6.823 -10.572 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.622 6.924 -9.065 1.00 0.00 H new ATOM 193 N ARG A 17 -2.191 5.872 -8.796 1.00 0.00 N ATOM 194 CA ARG A 17 -0.955 5.838 -9.559 1.00 0.00 C ATOM 195 C ARG A 17 -0.224 4.514 -9.328 1.00 0.00 C ATOM 196 O ARG A 17 -0.128 4.044 -8.196 1.00 0.00 O ATOM 197 CB ARG A 17 -0.034 6.996 -9.168 1.00 0.00 C ATOM 198 CG ARG A 17 0.451 6.847 -7.724 1.00 0.00 C ATOM 199 CD ARG A 17 0.371 8.180 -6.978 1.00 0.00 C ATOM 200 NE ARG A 17 1.240 9.181 -7.637 1.00 0.00 N ATOM 201 CZ ARG A 17 1.096 10.506 -7.502 1.00 0.00 C ATOM 202 NH1 ARG A 17 0.116 10.998 -6.731 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.931 11.340 -8.138 1.00 0.00 N ATOM 0 H ARG A 17 -2.076 5.739 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.214 5.935 -10.613 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.822 7.028 -9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.564 7.942 -9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.154 6.101 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.479 6.484 -7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.659 8.535 -6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.679 8.045 -5.941 1.00 0.00 H new ATOM 0 HE ARG A 17 1.996 8.840 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.520 10.364 -6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.006 12.007 -6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.676 10.966 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.821 12.349 -8.035 1.00 0.00 H new ATOM 217 N LYS A 18 0.271 3.950 -10.420 1.00 0.00 N ATOM 218 CA LYS A 18 0.990 2.689 -10.351 1.00 0.00 C ATOM 219 C LYS A 18 2.373 2.928 -9.742 1.00 0.00 C ATOM 220 O LYS A 18 3.219 3.582 -10.350 1.00 0.00 O ATOM 221 CB LYS A 18 1.031 2.019 -11.726 1.00 0.00 C ATOM 222 CG LYS A 18 2.029 0.860 -11.741 1.00 0.00 C ATOM 223 CD LYS A 18 2.067 0.187 -13.115 1.00 0.00 C ATOM 224 CE LYS A 18 0.967 -0.870 -13.237 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.040 -0.456 -14.239 1.00 0.00 N ATOM 0 H LYS A 18 0.188 4.343 -11.358 1.00 0.00 H new ATOM 0 HA LYS A 18 0.470 1.989 -9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.038 1.652 -11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.308 2.752 -12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.023 1.228 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.754 0.128 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.943 0.938 -13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.041 -0.277 -13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.404 -1.826 -13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.487 -1.017 -12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.779 -1.184 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.469 0.446 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.419 -0.338 -15.165 1.00 0.00 H new ATOM 239 N ILE A 19 2.560 2.386 -8.547 1.00 0.00 N ATOM 240 CA ILE A 19 3.826 2.532 -7.849 1.00 0.00 C ATOM 241 C ILE A 19 4.490 1.160 -7.713 1.00 0.00 C ATOM 242 O ILE A 19 3.992 0.294 -6.996 1.00 0.00 O ATOM 243 CB ILE A 19 3.622 3.252 -6.514 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.892 4.581 -6.714 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.952 3.432 -5.780 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.776 4.755 -5.683 1.00 0.00 C ATOM 0 H ILE A 19 1.856 1.845 -8.045 1.00 0.00 H new ATOM 0 HA ILE A 19 4.507 3.160 -8.423 1.00 0.00 H new ATOM 0 HB ILE A 19 2.988 2.629 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.601 5.405 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.473 4.622 -7.719 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.779 3.946 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.396 2.455 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.630 4.023 -6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.273 5.708 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.056 3.943 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.202 4.738 -4.680 1.00 0.00 H new ATOM 258 N ILE A 20 5.604 1.005 -8.413 1.00 0.00 N ATOM 259 CA ILE A 20 6.341 -0.246 -8.379 1.00 0.00 C ATOM 260 C ILE A 20 7.501 -0.124 -7.389 1.00 0.00 C ATOM 261 O ILE A 20 8.523 0.486 -7.697 1.00 0.00 O ATOM 262 CB ILE A 20 6.777 -0.650 -9.789 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.603 -1.227 -10.583 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.965 -1.613 -9.742 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.657 -0.782 -12.045 1.00 0.00 C ATOM 0 H ILE A 20 6.014 1.726 -9.007 1.00 0.00 H new ATOM 0 HA ILE A 20 5.702 -1.054 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 20 7.110 0.246 -10.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.624 -2.316 -10.530 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.663 -0.904 -10.135 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.254 -1.884 -10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.805 -1.131 -9.242 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.683 -2.512 -9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.811 -1.206 -12.586 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.612 0.306 -12.096 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.587 -1.128 -12.496 1.00 0.00 H new ATOM 277 N LEU A 21 7.302 -0.713 -6.219 1.00 0.00 N ATOM 278 CA LEU A 21 8.318 -0.678 -5.181 1.00 0.00 C ATOM 279 C LEU A 21 9.172 -1.945 -5.266 1.00 0.00 C ATOM 280 O LEU A 21 8.646 -3.041 -5.448 1.00 0.00 O ATOM 281 CB LEU A 21 7.676 -0.460 -3.809 1.00 0.00 C ATOM 282 CG LEU A 21 6.879 0.835 -3.640 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.481 1.963 -4.480 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.398 0.612 -3.956 1.00 0.00 C ATOM 0 H LEU A 21 6.452 -1.217 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 21 8.987 0.169 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.014 -1.301 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.462 -0.481 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 21 6.943 1.142 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.896 2.872 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.509 2.142 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.468 1.680 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.854 1.548 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.293 0.269 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.991 -0.140 -3.280 1.00 0.00 H new ATOM 296 N HIS A 22 10.476 -1.751 -5.130 1.00 0.00 N ATOM 297 CA HIS A 22 11.408 -2.864 -5.189 1.00 0.00 C ATOM 298 C HIS A 22 11.871 -3.221 -3.775 1.00 0.00 C ATOM 299 O HIS A 22 12.757 -2.569 -3.225 1.00 0.00 O ATOM 300 CB HIS A 22 12.571 -2.550 -6.132 1.00 0.00 C ATOM 301 CG HIS A 22 12.151 -2.290 -7.559 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.550 -3.090 -8.616 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.362 -1.313 -8.093 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.021 -2.607 -9.730 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.286 -1.505 -9.404 1.00 0.00 N ATOM 0 H HIS A 22 10.909 -0.840 -4.979 1.00 0.00 H new ATOM 0 HA HIS A 22 10.908 -3.740 -5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.105 -1.677 -5.756 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.273 -3.384 -6.117 1.00 0.00 H new ATOM 0 HD1 HIS A 22 13.150 -3.912 -8.548 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.881 -0.518 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.149 -3.014 -10.722 1.00 0.00 H new ATOM 313 N LYS A 23 11.251 -4.256 -3.227 1.00 0.00 N ATOM 314 CA LYS A 23 11.589 -4.708 -1.888 1.00 0.00 C ATOM 315 C LYS A 23 13.109 -4.686 -1.716 1.00 0.00 C ATOM 316 O LYS A 23 13.821 -5.465 -2.348 1.00 0.00 O ATOM 317 CB LYS A 23 10.958 -6.073 -1.608 1.00 0.00 C ATOM 318 CG LYS A 23 9.624 -5.920 -0.874 1.00 0.00 C ATOM 319 CD LYS A 23 9.396 -7.082 0.096 1.00 0.00 C ATOM 320 CE LYS A 23 8.310 -8.025 -0.424 1.00 0.00 C ATOM 321 NZ LYS A 23 8.607 -9.422 -0.035 1.00 0.00 N ATOM 0 H LYS A 23 10.516 -4.795 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 23 11.173 -4.032 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.802 -6.605 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.640 -6.677 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.612 -4.977 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.809 -5.880 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.326 -7.633 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.108 -6.694 1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.340 -7.728 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.244 -7.950 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.860 -10.049 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.523 -9.707 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.647 -9.493 1.002 1.00 0.00 H new ATOM 335 N GLY A 24 13.562 -3.785 -0.856 1.00 0.00 N ATOM 336 CA GLY A 24 14.985 -3.652 -0.592 1.00 0.00 C ATOM 337 C GLY A 24 15.439 -4.642 0.482 1.00 0.00 C ATOM 338 O GLY A 24 16.490 -5.267 0.350 1.00 0.00 O ATOM 0 H GLY A 24 12.969 -3.140 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.546 -3.824 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.205 -2.634 -0.270 1.00 0.00 H new ATOM 342 N SER A 25 14.624 -4.755 1.520 1.00 0.00 N ATOM 343 CA SER A 25 14.928 -5.659 2.616 1.00 0.00 C ATOM 344 C SER A 25 13.873 -5.523 3.715 1.00 0.00 C ATOM 345 O SER A 25 12.979 -6.360 3.829 1.00 0.00 O ATOM 346 CB SER A 25 16.323 -5.387 3.183 1.00 0.00 C ATOM 347 OG SER A 25 17.292 -6.300 2.676 1.00 0.00 O ATOM 0 H SER A 25 13.753 -4.235 1.625 1.00 0.00 H new ATOM 0 HA SER A 25 14.914 -6.679 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.622 -4.368 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.293 -5.457 4.270 1.00 0.00 H new ATOM 0 HG SER A 25 17.334 -6.223 1.700 1.00 0.00 H new ATOM 353 N THR A 26 14.011 -4.462 4.496 1.00 0.00 N ATOM 354 CA THR A 26 13.081 -4.206 5.583 1.00 0.00 C ATOM 355 C THR A 26 11.639 -4.394 5.106 1.00 0.00 C ATOM 356 O THR A 26 10.771 -4.789 5.882 1.00 0.00 O ATOM 357 CB THR A 26 13.363 -2.803 6.126 1.00 0.00 C ATOM 358 OG1 THR A 26 13.074 -1.942 5.028 1.00 0.00 O ATOM 359 CG2 THR A 26 14.850 -2.570 6.401 1.00 0.00 C ATOM 0 H THR A 26 14.753 -3.769 4.398 1.00 0.00 H new ATOM 0 HA THR A 26 13.217 -4.919 6.396 1.00 0.00 H new ATOM 0 HB THR A 26 12.796 -2.648 7.044 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.377 -1.034 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.995 -1.560 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.201 -3.292 7.138 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.414 -2.692 5.476 1.00 0.00 H new ATOM 367 N GLY A 27 11.429 -4.103 3.830 1.00 0.00 N ATOM 368 CA GLY A 27 10.108 -4.236 3.240 1.00 0.00 C ATOM 369 C GLY A 27 10.002 -3.427 1.946 1.00 0.00 C ATOM 370 O GLY A 27 10.945 -3.384 1.157 1.00 0.00 O ATOM 0 H GLY A 27 12.152 -3.776 3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.902 -5.286 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.353 -3.896 3.949 1.00 0.00 H new ATOM 374 N LEU A 28 8.845 -2.807 1.766 1.00 0.00 N ATOM 375 CA LEU A 28 8.604 -2.002 0.580 1.00 0.00 C ATOM 376 C LEU A 28 8.944 -0.541 0.883 1.00 0.00 C ATOM 377 O LEU A 28 8.973 0.293 -0.021 1.00 0.00 O ATOM 378 CB LEU A 28 7.174 -2.208 0.075 1.00 0.00 C ATOM 379 CG LEU A 28 6.950 -3.426 -0.824 1.00 0.00 C ATOM 380 CD1 LEU A 28 5.462 -3.622 -1.122 1.00 0.00 C ATOM 381 CD2 LEU A 28 7.782 -3.323 -2.104 1.00 0.00 C ATOM 0 H LEU A 28 8.064 -2.846 2.421 1.00 0.00 H new ATOM 0 HA LEU A 28 9.255 -2.319 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.513 -2.292 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.871 -1.316 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 28 7.290 -4.312 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.331 -4.494 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.921 -3.773 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.073 -2.738 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.604 -4.201 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.495 -2.426 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.840 -3.268 -1.847 1.00 0.00 H new ATOM 393 N GLY A 29 9.193 -0.276 2.157 1.00 0.00 N ATOM 394 CA GLY A 29 9.530 1.069 2.589 1.00 0.00 C ATOM 395 C GLY A 29 8.269 1.881 2.890 1.00 0.00 C ATOM 396 O GLY A 29 8.268 3.104 2.762 1.00 0.00 O ATOM 0 H GLY A 29 9.168 -0.970 2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.158 1.022 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.112 1.568 1.814 1.00 0.00 H new ATOM 400 N PHE A 30 7.224 1.167 3.283 1.00 0.00 N ATOM 401 CA PHE A 30 5.959 1.806 3.603 1.00 0.00 C ATOM 402 C PHE A 30 5.021 0.834 4.322 1.00 0.00 C ATOM 403 O PHE A 30 5.010 -0.359 4.024 1.00 0.00 O ATOM 404 CB PHE A 30 5.322 2.225 2.277 1.00 0.00 C ATOM 405 CG PHE A 30 4.732 1.063 1.475 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.640 0.399 1.943 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.298 0.693 0.295 1.00 0.00 C ATOM 408 CE1 PHE A 30 3.093 -0.680 1.199 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.751 -0.385 -0.449 1.00 0.00 C ATOM 410 CZ PHE A 30 3.660 -1.049 0.019 1.00 0.00 C ATOM 0 H PHE A 30 7.228 0.152 3.387 1.00 0.00 H new ATOM 0 HA PHE A 30 6.128 2.659 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.534 2.951 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.073 2.729 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.190 0.692 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.165 1.220 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.227 -1.208 1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.201 -0.678 -1.386 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.244 -1.870 -0.547 1.00 0.00 H new ATOM 420 N ASN A 31 4.256 1.381 5.255 1.00 0.00 N ATOM 421 CA ASN A 31 3.316 0.578 6.018 1.00 0.00 C ATOM 422 C ASN A 31 1.933 0.663 5.368 1.00 0.00 C ATOM 423 O ASN A 31 1.744 1.392 4.396 1.00 0.00 O ATOM 424 CB ASN A 31 3.195 1.089 7.455 1.00 0.00 C ATOM 425 CG ASN A 31 3.247 -0.068 8.455 1.00 0.00 C ATOM 426 OD1 ASN A 31 3.282 -1.233 8.094 1.00 0.00 O ATOM 427 ND2 ASN A 31 3.251 0.317 9.728 1.00 0.00 N ATOM 0 H ASN A 31 4.268 2.371 5.500 1.00 0.00 H new ATOM 0 HA ASN A 31 3.682 -0.449 6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.002 1.791 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.259 1.635 7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.285 -0.380 10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.220 1.310 9.961 1.00 0.00 H new ATOM 434 N ILE A 32 1.002 -0.093 5.932 1.00 0.00 N ATOM 435 CA ILE A 32 -0.357 -0.112 5.420 1.00 0.00 C ATOM 436 C ILE A 32 -1.340 -0.080 6.592 1.00 0.00 C ATOM 437 O ILE A 32 -1.002 -0.489 7.702 1.00 0.00 O ATOM 438 CB ILE A 32 -0.559 -1.303 4.481 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.177 -2.615 5.170 1.00 0.00 C ATOM 440 CG2 ILE A 32 0.202 -1.102 3.169 1.00 0.00 C ATOM 441 CD1 ILE A 32 -1.048 -3.770 4.670 1.00 0.00 C ATOM 0 H ILE A 32 1.163 -0.697 6.738 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.549 0.776 4.818 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.618 -1.366 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.873 -2.838 4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.290 -2.510 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.042 -1.963 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.159 -0.201 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.267 -0.999 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.756 -4.691 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.095 -3.555 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.914 -3.888 3.595 1.00 0.00 H new ATOM 453 N VAL A 33 -2.537 0.410 6.306 1.00 0.00 N ATOM 454 CA VAL A 33 -3.571 0.501 7.323 1.00 0.00 C ATOM 455 C VAL A 33 -4.930 0.190 6.691 1.00 0.00 C ATOM 456 O VAL A 33 -5.045 0.104 5.470 1.00 0.00 O ATOM 457 CB VAL A 33 -3.525 1.875 7.995 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.087 2.387 8.097 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.413 2.878 7.255 1.00 0.00 C ATOM 0 H VAL A 33 -2.814 0.748 5.385 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.401 -0.236 8.108 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.915 1.766 9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.082 3.365 8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.493 1.689 8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.659 2.472 7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.362 3.846 7.753 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.067 2.981 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.443 2.523 7.257 1.00 0.00 H new ATOM 469 N GLY A 34 -5.924 0.031 7.553 1.00 0.00 N ATOM 470 CA GLY A 34 -7.270 -0.269 7.095 1.00 0.00 C ATOM 471 C GLY A 34 -7.529 -1.777 7.102 1.00 0.00 C ATOM 472 O GLY A 34 -6.637 -2.562 7.420 1.00 0.00 O ATOM 0 H GLY A 34 -5.824 0.104 8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.996 0.231 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.411 0.123 6.088 1.00 0.00 H new ATOM 476 N GLY A 35 -8.754 -2.136 6.749 1.00 0.00 N ATOM 477 CA GLY A 35 -9.142 -3.536 6.711 1.00 0.00 C ATOM 478 C GLY A 35 -10.213 -3.837 7.761 1.00 0.00 C ATOM 479 O GLY A 35 -10.232 -4.921 8.341 1.00 0.00 O ATOM 0 H GLY A 35 -9.491 -1.482 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.520 -3.786 5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.269 -4.164 6.887 1.00 0.00 H new ATOM 483 N GLU A 36 -11.080 -2.857 7.973 1.00 0.00 N ATOM 484 CA GLU A 36 -12.152 -3.003 8.943 1.00 0.00 C ATOM 485 C GLU A 36 -13.512 -2.880 8.253 1.00 0.00 C ATOM 486 O GLU A 36 -13.893 -1.796 7.812 1.00 0.00 O ATOM 487 CB GLU A 36 -12.015 -1.978 10.071 1.00 0.00 C ATOM 488 CG GLU A 36 -10.574 -1.915 10.581 1.00 0.00 C ATOM 489 CD GLU A 36 -10.537 -1.762 12.103 1.00 0.00 C ATOM 490 OE1 GLU A 36 -10.988 -0.697 12.577 1.00 0.00 O ATOM 491 OE2 GLU A 36 -10.060 -2.714 12.758 1.00 0.00 O ATOM 0 H GLU A 36 -11.062 -1.959 7.490 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.080 -3.995 9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.322 -0.995 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.684 -2.242 10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.042 -2.821 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.056 -1.077 10.115 1.00 0.00 H new ATOM 498 N ASP A 37 -14.207 -4.006 8.181 1.00 0.00 N ATOM 499 CA ASP A 37 -15.517 -4.037 7.552 1.00 0.00 C ATOM 500 C ASP A 37 -15.381 -3.639 6.081 1.00 0.00 C ATOM 501 O ASP A 37 -16.365 -3.269 5.441 1.00 0.00 O ATOM 502 CB ASP A 37 -16.474 -3.050 8.223 1.00 0.00 C ATOM 503 CG ASP A 37 -17.957 -3.411 8.113 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.390 -4.278 8.902 1.00 0.00 O ATOM 505 OD2 ASP A 37 -18.623 -2.812 7.241 1.00 0.00 O ATOM 0 H ASP A 37 -13.888 -4.903 8.547 1.00 0.00 H new ATOM 0 HA ASP A 37 -15.914 -5.047 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.212 -2.973 9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.322 -2.064 7.784 1.00 0.00 H new ATOM 510 N GLY A 38 -14.155 -3.727 5.587 1.00 0.00 N ATOM 511 CA GLY A 38 -13.878 -3.380 4.204 1.00 0.00 C ATOM 512 C GLY A 38 -14.103 -1.887 3.957 1.00 0.00 C ATOM 513 O GLY A 38 -15.015 -1.506 3.225 1.00 0.00 O ATOM 0 H GLY A 38 -13.342 -4.034 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.849 -3.642 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.521 -3.962 3.544 1.00 0.00 H new ATOM 517 N GLU A 39 -13.256 -1.083 4.582 1.00 0.00 N ATOM 518 CA GLU A 39 -13.351 0.360 4.440 1.00 0.00 C ATOM 519 C GLU A 39 -12.303 0.866 3.446 1.00 0.00 C ATOM 520 O GLU A 39 -12.460 1.939 2.866 1.00 0.00 O ATOM 521 CB GLU A 39 -13.203 1.056 5.795 1.00 0.00 C ATOM 522 CG GLU A 39 -11.762 0.970 6.301 1.00 0.00 C ATOM 523 CD GLU A 39 -11.724 0.623 7.790 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.791 0.749 8.430 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.629 0.240 8.256 1.00 0.00 O ATOM 0 H GLU A 39 -12.501 -1.403 5.188 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.340 0.602 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.499 2.101 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.875 0.596 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.218 0.215 5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.256 1.921 6.132 1.00 0.00 H new ATOM 532 N GLY A 40 -11.258 0.068 3.281 1.00 0.00 N ATOM 533 CA GLY A 40 -10.185 0.422 2.367 1.00 0.00 C ATOM 534 C GLY A 40 -8.823 0.325 3.058 1.00 0.00 C ATOM 535 O GLY A 40 -8.751 0.135 4.272 1.00 0.00 O ATOM 0 H GLY A 40 -11.132 -0.821 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.206 -0.240 1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.338 1.436 1.996 1.00 0.00 H new ATOM 539 N ILE A 41 -7.777 0.459 2.256 1.00 0.00 N ATOM 540 CA ILE A 41 -6.422 0.389 2.775 1.00 0.00 C ATOM 541 C ILE A 41 -5.711 1.719 2.514 1.00 0.00 C ATOM 542 O ILE A 41 -5.986 2.389 1.520 1.00 0.00 O ATOM 543 CB ILE A 41 -5.689 -0.823 2.198 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.461 -2.115 2.477 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.251 -0.892 2.715 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.105 -2.679 3.854 1.00 0.00 C ATOM 0 H ILE A 41 -7.841 0.616 1.250 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.435 0.240 3.855 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.636 -0.706 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.532 -1.921 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.233 -2.853 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.753 -1.763 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.716 0.011 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.259 -0.974 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.667 -3.597 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.037 -2.894 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.357 -1.948 4.623 1.00 0.00 H new ATOM 558 N PHE A 42 -4.811 2.061 3.424 1.00 0.00 N ATOM 559 CA PHE A 42 -4.059 3.298 3.305 1.00 0.00 C ATOM 560 C PHE A 42 -2.695 3.179 3.988 1.00 0.00 C ATOM 561 O PHE A 42 -2.578 2.560 5.045 1.00 0.00 O ATOM 562 CB PHE A 42 -4.874 4.386 4.007 1.00 0.00 C ATOM 563 CG PHE A 42 -6.254 4.624 3.391 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.250 3.717 3.582 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.486 5.742 2.653 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.531 3.937 3.011 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.768 5.963 2.082 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.763 5.056 2.273 1.00 0.00 C ATOM 0 H PHE A 42 -4.586 1.503 4.247 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.890 3.530 2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.997 4.114 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.311 5.319 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.066 2.829 4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.696 6.462 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.321 3.216 3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.952 6.851 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.737 5.224 1.839 1.00 0.00 H new ATOM 578 N VAL A 43 -1.698 3.781 3.357 1.00 0.00 N ATOM 579 CA VAL A 43 -0.347 3.750 3.891 1.00 0.00 C ATOM 580 C VAL A 43 -0.336 4.394 5.278 1.00 0.00 C ATOM 581 O VAL A 43 -1.032 5.381 5.513 1.00 0.00 O ATOM 582 CB VAL A 43 0.618 4.422 2.912 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.990 4.637 3.555 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.739 3.614 1.619 1.00 0.00 C ATOM 0 H VAL A 43 -1.799 4.293 2.481 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.006 2.721 4.008 1.00 0.00 H new ATOM 0 HB VAL A 43 0.210 5.400 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.657 5.116 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.884 5.273 4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.407 3.675 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.431 4.114 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.112 2.616 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.240 3.536 1.146 1.00 0.00 H new ATOM 594 N SER A 44 0.460 3.810 6.161 1.00 0.00 N ATOM 595 CA SER A 44 0.570 4.315 7.519 1.00 0.00 C ATOM 596 C SER A 44 1.852 5.136 7.670 1.00 0.00 C ATOM 597 O SER A 44 1.890 6.098 8.435 1.00 0.00 O ATOM 598 CB SER A 44 0.550 3.171 8.535 1.00 0.00 C ATOM 599 OG SER A 44 1.799 3.033 9.208 1.00 0.00 O ATOM 0 H SER A 44 1.035 2.991 5.963 1.00 0.00 H new ATOM 0 HA SER A 44 -0.289 4.956 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.238 3.349 9.266 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.307 2.238 8.026 1.00 0.00 H new ATOM 0 HG SER A 44 1.647 2.682 10.110 1.00 0.00 H new ATOM 605 N PHE A 45 2.870 4.727 6.927 1.00 0.00 N ATOM 606 CA PHE A 45 4.150 5.413 6.969 1.00 0.00 C ATOM 607 C PHE A 45 5.021 5.022 5.773 1.00 0.00 C ATOM 608 O PHE A 45 4.722 4.056 5.073 1.00 0.00 O ATOM 609 CB PHE A 45 4.849 4.978 8.258 1.00 0.00 C ATOM 610 CG PHE A 45 6.349 5.279 8.284 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.785 6.539 8.555 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.246 4.287 8.038 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.177 6.818 8.579 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.638 4.567 8.062 1.00 0.00 C ATOM 615 CZ PHE A 45 9.074 5.826 8.332 1.00 0.00 C ATOM 0 H PHE A 45 2.834 3.929 6.293 1.00 0.00 H new ATOM 0 HA PHE A 45 3.995 6.491 6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.374 5.477 9.103 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.701 3.907 8.396 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.073 7.327 8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.900 3.287 7.824 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.524 7.818 8.793 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.351 3.779 7.866 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.133 6.038 8.350 1.00 0.00 H new ATOM 625 N ILE A 46 6.081 5.792 5.577 1.00 0.00 N ATOM 626 CA ILE A 46 6.997 5.538 4.478 1.00 0.00 C ATOM 627 C ILE A 46 8.436 5.623 4.990 1.00 0.00 C ATOM 628 O ILE A 46 8.835 6.634 5.566 1.00 0.00 O ATOM 629 CB ILE A 46 6.704 6.478 3.307 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.278 6.281 2.789 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.744 6.314 2.198 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.279 5.563 1.438 1.00 0.00 C ATOM 0 H ILE A 46 6.326 6.592 6.161 1.00 0.00 H new ATOM 0 HA ILE A 46 6.855 4.530 4.089 1.00 0.00 H new ATOM 0 HB ILE A 46 6.777 7.504 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.702 5.703 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.786 7.249 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.512 6.994 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.734 6.544 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.728 5.287 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.253 5.436 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.835 6.155 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.749 4.586 1.546 1.00 0.00 H new ATOM 644 N LEU A 47 9.177 4.549 4.761 1.00 0.00 N ATOM 645 CA LEU A 47 10.563 4.489 5.192 1.00 0.00 C ATOM 646 C LEU A 47 11.384 5.504 4.393 1.00 0.00 C ATOM 647 O LEU A 47 11.040 5.832 3.259 1.00 0.00 O ATOM 648 CB LEU A 47 11.093 3.057 5.096 1.00 0.00 C ATOM 649 CG LEU A 47 12.545 2.849 5.532 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.617 2.351 6.977 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.279 1.916 4.567 1.00 0.00 C ATOM 0 H LEU A 47 8.843 3.713 4.282 1.00 0.00 H new ATOM 0 HA LEU A 47 10.648 4.765 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.456 2.414 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.993 2.722 4.064 1.00 0.00 H new ATOM 0 HG LEU A 47 13.054 3.812 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.660 2.211 7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.155 3.084 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.087 1.402 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.309 1.785 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.779 0.948 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.273 2.349 3.567 1.00 0.00 H new ATOM 663 N ALA A 48 12.455 5.972 5.017 1.00 0.00 N ATOM 664 CA ALA A 48 13.328 6.943 4.379 1.00 0.00 C ATOM 665 C ALA A 48 14.492 6.211 3.708 1.00 0.00 C ATOM 666 O ALA A 48 15.352 5.652 4.387 1.00 0.00 O ATOM 667 CB ALA A 48 13.801 7.964 5.416 1.00 0.00 C ATOM 0 H ALA A 48 12.738 5.697 5.958 1.00 0.00 H new ATOM 0 HA ALA A 48 12.792 7.491 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.456 8.692 4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.938 8.476 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.346 7.452 6.209 1.00 0.00 H new ATOM 673 N GLY A 49 14.482 6.239 2.383 1.00 0.00 N ATOM 674 CA GLY A 49 15.527 5.586 1.613 1.00 0.00 C ATOM 675 C GLY A 49 15.001 4.313 0.946 1.00 0.00 C ATOM 676 O GLY A 49 15.656 3.752 0.069 1.00 0.00 O ATOM 0 H GLY A 49 13.767 6.704 1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.905 6.270 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.365 5.340 2.265 1.00 0.00 H new ATOM 680 N GLY A 50 13.824 3.895 1.387 1.00 0.00 N ATOM 681 CA GLY A 50 13.203 2.699 0.843 1.00 0.00 C ATOM 682 C GLY A 50 12.761 2.921 -0.605 1.00 0.00 C ATOM 683 O GLY A 50 12.988 3.989 -1.170 1.00 0.00 O ATOM 0 H GLY A 50 13.284 4.363 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.906 1.867 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.342 2.423 1.452 1.00 0.00 H new ATOM 687 N PRO A 51 12.122 1.866 -1.179 1.00 0.00 N ATOM 688 CA PRO A 51 11.647 1.935 -2.550 1.00 0.00 C ATOM 689 C PRO A 51 10.388 2.798 -2.651 1.00 0.00 C ATOM 690 O PRO A 51 10.128 3.403 -3.690 1.00 0.00 O ATOM 691 CB PRO A 51 11.412 0.490 -2.958 1.00 0.00 C ATOM 692 CG PRO A 51 11.318 -0.299 -1.662 1.00 0.00 C ATOM 693 CD PRO A 51 11.836 0.585 -0.539 1.00 0.00 C ATOM 0 HA PRO A 51 12.362 2.412 -3.220 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.497 0.393 -3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.228 0.122 -3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.287 -0.595 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.906 -1.215 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.095 0.694 0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.731 0.162 -0.082 1.00 0.00 H new ATOM 701 N ALA A 52 9.639 2.826 -1.559 1.00 0.00 N ATOM 702 CA ALA A 52 8.413 3.604 -1.511 1.00 0.00 C ATOM 703 C ALA A 52 8.761 5.093 -1.474 1.00 0.00 C ATOM 704 O ALA A 52 8.105 5.904 -2.126 1.00 0.00 O ATOM 705 CB ALA A 52 7.579 3.170 -0.304 1.00 0.00 C ATOM 0 H ALA A 52 9.858 2.322 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 52 7.811 3.428 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.659 3.754 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.334 2.112 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.149 3.335 0.610 1.00 0.00 H new ATOM 711 N ASP A 53 9.792 5.409 -0.704 1.00 0.00 N ATOM 712 CA ASP A 53 10.235 6.786 -0.573 1.00 0.00 C ATOM 713 C ASP A 53 11.059 7.171 -1.803 1.00 0.00 C ATOM 714 O ASP A 53 10.722 8.121 -2.509 1.00 0.00 O ATOM 715 CB ASP A 53 11.118 6.966 0.663 1.00 0.00 C ATOM 716 CG ASP A 53 12.086 8.149 0.600 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.627 9.274 0.893 1.00 0.00 O ATOM 718 OD2 ASP A 53 13.263 7.901 0.260 1.00 0.00 O ATOM 0 H ASP A 53 10.334 4.734 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 53 9.351 7.417 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.476 7.088 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.693 6.053 0.816 1.00 0.00 H new ATOM 723 N LEU A 54 12.125 6.415 -2.022 1.00 0.00 N ATOM 724 CA LEU A 54 13.000 6.665 -3.155 1.00 0.00 C ATOM 725 C LEU A 54 12.154 6.859 -4.415 1.00 0.00 C ATOM 726 O LEU A 54 12.297 7.861 -5.115 1.00 0.00 O ATOM 727 CB LEU A 54 14.044 5.554 -3.281 1.00 0.00 C ATOM 728 CG LEU A 54 15.173 5.575 -2.248 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.324 4.662 -2.676 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.645 7.005 -1.979 1.00 0.00 C ATOM 0 H LEU A 54 12.403 5.629 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 54 13.564 7.586 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.534 4.593 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.487 5.610 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 54 14.783 5.184 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.113 4.695 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.960 3.639 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.720 5.000 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.447 6.991 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.011 7.448 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.813 7.597 -1.598 1.00 0.00 H new ATOM 742 N SER A 55 11.291 5.885 -4.666 1.00 0.00 N ATOM 743 CA SER A 55 10.422 5.936 -5.829 1.00 0.00 C ATOM 744 C SER A 55 9.915 7.364 -6.041 1.00 0.00 C ATOM 745 O SER A 55 9.838 7.838 -7.173 1.00 0.00 O ATOM 746 CB SER A 55 9.245 4.971 -5.680 1.00 0.00 C ATOM 747 OG SER A 55 8.601 5.106 -4.416 1.00 0.00 O ATOM 0 H SER A 55 11.175 5.056 -4.083 1.00 0.00 H new ATOM 0 HA SER A 55 10.999 5.629 -6.701 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.523 5.154 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.598 3.947 -5.799 1.00 0.00 H new ATOM 0 HG SER A 55 8.791 4.317 -3.866 1.00 0.00 H new ATOM 753 N GLY A 56 9.582 8.010 -4.933 1.00 0.00 N ATOM 754 CA GLY A 56 9.084 9.374 -4.983 1.00 0.00 C ATOM 755 C GLY A 56 7.595 9.402 -5.337 1.00 0.00 C ATOM 756 O GLY A 56 6.966 10.458 -5.306 1.00 0.00 O ATOM 0 H GLY A 56 9.647 7.614 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.241 9.858 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.648 9.944 -5.722 1.00 0.00 H new ATOM 760 N GLU A 57 7.076 8.228 -5.665 1.00 0.00 N ATOM 761 CA GLU A 57 5.674 8.104 -6.025 1.00 0.00 C ATOM 762 C GLU A 57 4.826 7.849 -4.777 1.00 0.00 C ATOM 763 O GLU A 57 3.880 8.585 -4.503 1.00 0.00 O ATOM 764 CB GLU A 57 5.469 6.998 -7.062 1.00 0.00 C ATOM 765 CG GLU A 57 6.436 7.163 -8.237 1.00 0.00 C ATOM 766 CD GLU A 57 6.373 8.582 -8.804 1.00 0.00 C ATOM 767 OE1 GLU A 57 5.248 9.009 -9.143 1.00 0.00 O ATOM 768 OE2 GLU A 57 7.452 9.209 -8.884 1.00 0.00 O ATOM 0 H GLU A 57 7.601 7.354 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 57 5.351 9.043 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.620 6.024 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.442 7.021 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.452 6.943 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.190 6.444 -9.019 1.00 0.00 H new ATOM 775 N LEU A 58 5.197 6.803 -4.052 1.00 0.00 N ATOM 776 CA LEU A 58 4.483 6.442 -2.840 1.00 0.00 C ATOM 777 C LEU A 58 4.703 7.525 -1.781 1.00 0.00 C ATOM 778 O LEU A 58 5.775 8.124 -1.714 1.00 0.00 O ATOM 779 CB LEU A 58 4.886 5.040 -2.378 1.00 0.00 C ATOM 780 CG LEU A 58 3.737 4.069 -2.099 1.00 0.00 C ATOM 781 CD1 LEU A 58 4.268 2.679 -1.744 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.805 4.620 -1.017 1.00 0.00 C ATOM 0 H LEU A 58 5.983 6.195 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 58 3.411 6.394 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.531 4.600 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.483 5.136 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 58 3.148 3.965 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.431 2.008 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.858 2.292 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.894 2.745 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.997 3.911 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.367 4.771 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.387 5.571 -1.347 1.00 0.00 H new ATOM 794 N ARG A 59 3.670 7.743 -0.981 1.00 0.00 N ATOM 795 CA ARG A 59 3.737 8.743 0.071 1.00 0.00 C ATOM 796 C ARG A 59 2.856 8.331 1.252 1.00 0.00 C ATOM 797 O ARG A 59 1.916 7.555 1.089 1.00 0.00 O ATOM 798 CB ARG A 59 3.284 10.112 -0.441 1.00 0.00 C ATOM 799 CG ARG A 59 4.135 10.561 -1.630 1.00 0.00 C ATOM 800 CD ARG A 59 4.132 12.086 -1.762 1.00 0.00 C ATOM 801 NE ARG A 59 5.481 12.564 -2.137 1.00 0.00 N ATOM 802 CZ ARG A 59 5.740 13.795 -2.599 1.00 0.00 C ATOM 803 NH1 ARG A 59 4.744 14.679 -2.746 1.00 0.00 N ATOM 804 NH2 ARG A 59 6.996 14.141 -2.914 1.00 0.00 N ATOM 0 H ARG A 59 2.782 7.244 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 59 4.775 8.814 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.236 10.065 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.357 10.847 0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.158 10.205 -1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.751 10.112 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.406 12.393 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.825 12.540 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 59 6.263 11.916 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.788 14.415 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.941 15.616 -3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.754 13.468 -2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.194 15.078 -3.266 1.00 0.00 H new ATOM 818 N ARG A 60 3.191 8.869 2.416 1.00 0.00 N ATOM 819 CA ARG A 60 2.443 8.567 3.624 1.00 0.00 C ATOM 820 C ARG A 60 1.050 9.198 3.557 1.00 0.00 C ATOM 821 O ARG A 60 0.917 10.421 3.579 1.00 0.00 O ATOM 822 CB ARG A 60 3.170 9.084 4.866 1.00 0.00 C ATOM 823 CG ARG A 60 2.366 8.790 6.134 1.00 0.00 C ATOM 824 CD ARG A 60 2.784 9.719 7.276 1.00 0.00 C ATOM 825 NE ARG A 60 3.517 8.953 8.309 1.00 0.00 N ATOM 826 CZ ARG A 60 3.812 9.427 9.527 1.00 0.00 C ATOM 827 NH1 ARG A 60 3.439 10.667 9.872 1.00 0.00 N ATOM 828 NH2 ARG A 60 4.480 8.661 10.400 1.00 0.00 N ATOM 0 H ARG A 60 3.971 9.513 2.548 1.00 0.00 H new ATOM 0 HA ARG A 60 2.352 7.483 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.152 8.617 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.333 10.158 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.302 8.913 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.516 7.752 6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.414 10.521 6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.903 10.188 7.715 1.00 0.00 H new ATOM 0 HE ARG A 60 3.816 8.005 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.930 11.250 9.207 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.664 11.028 10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.764 7.717 10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.705 9.022 11.327 1.00 0.00 H new ATOM 842 N GLY A 61 0.048 8.335 3.476 1.00 0.00 N ATOM 843 CA GLY A 61 -1.329 8.793 3.406 1.00 0.00 C ATOM 844 C GLY A 61 -2.048 8.187 2.199 1.00 0.00 C ATOM 845 O GLY A 61 -3.274 8.089 2.187 1.00 0.00 O ATOM 0 H GLY A 61 0.162 7.322 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.854 8.520 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.351 9.881 3.339 1.00 0.00 H new ATOM 849 N ASP A 62 -1.254 7.796 1.213 1.00 0.00 N ATOM 850 CA ASP A 62 -1.799 7.201 0.004 1.00 0.00 C ATOM 851 C ASP A 62 -2.803 6.112 0.385 1.00 0.00 C ATOM 852 O ASP A 62 -2.711 5.527 1.463 1.00 0.00 O ATOM 853 CB ASP A 62 -0.696 6.555 -0.837 1.00 0.00 C ATOM 854 CG ASP A 62 -0.247 7.371 -2.051 1.00 0.00 C ATOM 855 OD1 ASP A 62 0.262 8.490 -1.826 1.00 0.00 O ATOM 856 OD2 ASP A 62 -0.423 6.857 -3.177 1.00 0.00 O ATOM 0 H ASP A 62 -0.238 7.880 1.226 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.278 7.991 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.169 6.376 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.045 5.582 -1.181 1.00 0.00 H new ATOM 861 N ARG A 63 -3.739 5.872 -0.522 1.00 0.00 N ATOM 862 CA ARG A 63 -4.759 4.862 -0.295 1.00 0.00 C ATOM 863 C ARG A 63 -4.521 3.654 -1.203 1.00 0.00 C ATOM 864 O ARG A 63 -4.785 3.713 -2.403 1.00 0.00 O ATOM 865 CB ARG A 63 -6.157 5.424 -0.561 1.00 0.00 C ATOM 866 CG ARG A 63 -7.224 4.338 -0.400 1.00 0.00 C ATOM 867 CD ARG A 63 -8.558 4.788 -0.998 1.00 0.00 C ATOM 868 NE ARG A 63 -9.472 3.631 -1.123 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.803 3.734 -1.244 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.383 4.942 -1.258 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.554 2.629 -1.352 1.00 0.00 N ATOM 0 H ARG A 63 -3.812 6.359 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.695 4.554 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.360 6.244 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.202 5.836 -1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.893 3.422 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.355 4.106 0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.010 5.552 -0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.394 5.240 -1.976 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.064 2.696 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.812 5.783 -1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.396 5.020 -1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.113 1.709 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.567 2.708 -1.444 1.00 0.00 H new ATOM 885 N ILE A 64 -4.026 2.586 -0.595 1.00 0.00 N ATOM 886 CA ILE A 64 -3.750 1.365 -1.333 1.00 0.00 C ATOM 887 C ILE A 64 -5.046 0.853 -1.966 1.00 0.00 C ATOM 888 O ILE A 64 -6.075 0.768 -1.298 1.00 0.00 O ATOM 889 CB ILE A 64 -3.058 0.340 -0.433 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.784 0.922 0.184 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.784 -0.960 -1.192 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.618 0.860 -0.805 1.00 0.00 C ATOM 0 H ILE A 64 -3.809 2.541 0.401 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.053 1.561 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.732 0.098 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.959 1.956 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.528 0.370 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.292 -1.671 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.726 -1.382 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.139 -0.754 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.275 1.280 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.430 -0.178 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.867 1.434 -1.698 1.00 0.00 H new ATOM 904 N LEU A 65 -4.952 0.524 -3.246 1.00 0.00 N ATOM 905 CA LEU A 65 -6.104 0.022 -3.976 1.00 0.00 C ATOM 906 C LEU A 65 -5.879 -1.450 -4.325 1.00 0.00 C ATOM 907 O LEU A 65 -6.726 -2.295 -4.041 1.00 0.00 O ATOM 908 CB LEU A 65 -6.393 0.905 -5.191 1.00 0.00 C ATOM 909 CG LEU A 65 -7.134 2.214 -4.909 1.00 0.00 C ATOM 910 CD1 LEU A 65 -7.091 3.142 -6.124 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.567 1.943 -4.445 1.00 0.00 C ATOM 0 H LEU A 65 -4.096 0.595 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.999 0.069 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.446 1.144 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.979 0.326 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.623 2.727 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.625 4.065 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.054 3.374 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.563 2.650 -6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.072 2.889 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.104 1.398 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.547 1.349 -3.532 1.00 0.00 H new ATOM 923 N SER A 66 -4.733 -1.712 -4.935 1.00 0.00 N ATOM 924 CA SER A 66 -4.386 -3.068 -5.326 1.00 0.00 C ATOM 925 C SER A 66 -2.872 -3.269 -5.232 1.00 0.00 C ATOM 926 O SER A 66 -2.107 -2.311 -5.341 1.00 0.00 O ATOM 927 CB SER A 66 -4.875 -3.376 -6.743 1.00 0.00 C ATOM 928 OG SER A 66 -4.444 -2.394 -7.681 1.00 0.00 O ATOM 0 H SER A 66 -4.032 -1.008 -5.168 1.00 0.00 H new ATOM 0 HA SER A 66 -4.881 -3.758 -4.642 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.507 -4.356 -7.049 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.964 -3.429 -6.748 1.00 0.00 H new ATOM 0 HG SER A 66 -4.775 -2.627 -8.574 1.00 0.00 H new ATOM 934 N VAL A 67 -2.484 -4.520 -5.030 1.00 0.00 N ATOM 935 CA VAL A 67 -1.075 -4.858 -4.921 1.00 0.00 C ATOM 936 C VAL A 67 -0.752 -5.998 -5.889 1.00 0.00 C ATOM 937 O VAL A 67 -1.459 -7.003 -5.928 1.00 0.00 O ATOM 938 CB VAL A 67 -0.729 -5.192 -3.468 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.427 -6.192 -3.396 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.407 -3.923 -2.676 1.00 0.00 C ATOM 0 H VAL A 67 -3.121 -5.312 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.455 -4.007 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.603 -5.658 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.653 -6.412 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.145 -7.112 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.308 -5.765 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.165 -4.188 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.445 -3.417 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.271 -3.259 -2.686 1.00 0.00 H new ATOM 950 N ASN A 68 0.317 -5.802 -6.647 1.00 0.00 N ATOM 951 CA ASN A 68 0.743 -6.801 -7.613 1.00 0.00 C ATOM 952 C ASN A 68 -0.458 -7.232 -8.456 1.00 0.00 C ATOM 953 O ASN A 68 -0.453 -8.314 -9.042 1.00 0.00 O ATOM 954 CB ASN A 68 1.299 -8.042 -6.912 1.00 0.00 C ATOM 955 CG ASN A 68 2.807 -8.170 -7.138 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.416 -7.415 -7.878 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.373 -9.165 -6.462 1.00 0.00 N ATOM 0 H ASN A 68 0.901 -4.966 -6.612 1.00 0.00 H new ATOM 0 HA ASN A 68 1.521 -6.359 -8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.091 -7.984 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.795 -8.933 -7.287 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.376 -9.333 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.805 -9.760 -5.859 1.00 0.00 H new ATOM 964 N GLY A 69 -1.459 -6.364 -8.492 1.00 0.00 N ATOM 965 CA GLY A 69 -2.664 -6.642 -9.254 1.00 0.00 C ATOM 966 C GLY A 69 -3.643 -7.492 -8.442 1.00 0.00 C ATOM 967 O GLY A 69 -4.118 -8.523 -8.917 1.00 0.00 O ATOM 0 H GLY A 69 -1.460 -5.468 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.142 -5.705 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.404 -7.162 -10.176 1.00 0.00 H new ATOM 971 N VAL A 70 -3.916 -7.029 -7.231 1.00 0.00 N ATOM 972 CA VAL A 70 -4.830 -7.733 -6.348 1.00 0.00 C ATOM 973 C VAL A 70 -5.906 -6.764 -5.857 1.00 0.00 C ATOM 974 O VAL A 70 -5.639 -5.579 -5.666 1.00 0.00 O ATOM 975 CB VAL A 70 -4.051 -8.392 -5.207 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.743 -7.382 -4.100 1.00 0.00 C ATOM 977 CG2 VAL A 70 -4.809 -9.599 -4.652 1.00 0.00 C ATOM 0 H VAL A 70 -3.520 -6.174 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.337 -8.536 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.103 -8.748 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.189 -7.875 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.144 -6.567 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.676 -6.983 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.234 -10.049 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.779 -9.277 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.955 -10.333 -5.445 1.00 0.00 H new ATOM 987 N ASN A 71 -7.101 -7.304 -5.665 1.00 0.00 N ATOM 988 CA ASN A 71 -8.219 -6.502 -5.199 1.00 0.00 C ATOM 989 C ASN A 71 -8.235 -6.497 -3.669 1.00 0.00 C ATOM 990 O ASN A 71 -8.533 -7.514 -3.044 1.00 0.00 O ATOM 991 CB ASN A 71 -9.551 -7.079 -5.683 1.00 0.00 C ATOM 992 CG ASN A 71 -10.629 -5.995 -5.742 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.497 -4.921 -5.179 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.701 -6.336 -6.451 1.00 0.00 N ATOM 0 H ASN A 71 -7.319 -8.288 -5.824 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.098 -5.493 -5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.422 -7.523 -6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.870 -7.878 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.477 -5.681 -6.549 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.747 -7.252 -6.897 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.911 -5.340 -3.110 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.884 -5.189 -1.665 1.00 0.00 C ATOM 1003 C LEU A 72 -8.897 -4.120 -1.249 1.00 0.00 C ATOM 1004 O LEU A 72 -9.054 -3.838 -0.062 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.459 -4.908 -1.182 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.390 -5.905 -1.631 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -3.985 -5.349 -1.388 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.591 -7.265 -0.959 1.00 0.00 C ATOM 0 H LEU A 72 -7.665 -4.499 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.183 -6.118 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.169 -3.915 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.465 -4.878 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.496 -6.057 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.244 -6.078 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.858 -4.424 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.852 -5.149 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.817 -7.955 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.528 -7.149 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.571 -7.661 -1.225 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.556 -3.555 -2.249 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.549 -2.524 -2.002 1.00 0.00 C ATOM 1022 C ARG A 73 -11.336 -2.838 -0.729 1.00 0.00 C ATOM 1023 O ARG A 73 -11.626 -1.943 0.064 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.522 -2.403 -3.178 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.119 -1.255 -4.106 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.959 -1.264 -5.385 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.240 -0.561 -5.154 1.00 0.00 N ATOM 1028 CZ ARG A 73 -14.338 -1.144 -4.654 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -14.317 -2.444 -4.330 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.457 -0.428 -4.479 1.00 0.00 N ATOM 0 H ARG A 73 -9.422 -3.792 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.021 -1.578 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.540 -3.338 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.532 -2.236 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.246 -0.303 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.062 -1.341 -4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.410 -0.781 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.149 -2.291 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.291 0.430 -5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.465 -2.989 -4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.153 -2.888 -3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.473 0.561 -4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.292 -0.872 -4.098 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.660 -4.114 -0.571 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.408 -4.558 0.592 1.00 0.00 C ATOM 1046 C ASN A 74 -11.679 -5.734 1.244 1.00 0.00 C ATOM 1047 O ASN A 74 -12.278 -6.778 1.495 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.810 -5.030 0.200 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.476 -4.036 -0.754 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -15.018 -4.395 -1.786 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.404 -2.770 -0.353 1.00 0.00 N ATOM 0 H ASN A 74 -11.418 -4.854 -1.230 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.490 -3.716 1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.749 -6.009 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.422 -5.147 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.818 -2.031 -0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.935 -2.538 0.523 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.395 -5.525 1.498 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.577 -6.555 2.116 1.00 0.00 C ATOM 1060 C ALA A 75 -9.119 -6.078 3.495 1.00 0.00 C ATOM 1061 O ALA A 75 -9.000 -4.877 3.733 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.402 -6.894 1.196 1.00 0.00 C ATOM 0 H ALA A 75 -9.901 -4.658 1.287 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.154 -7.469 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.788 -7.667 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.781 -7.256 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.799 -6.001 1.032 1.00 0.00 H new ATOM 1068 N THR A 76 -8.875 -7.044 4.369 1.00 0.00 N ATOM 1069 CA THR A 76 -8.432 -6.737 5.719 1.00 0.00 C ATOM 1070 C THR A 76 -6.953 -6.347 5.719 1.00 0.00 C ATOM 1071 O THR A 76 -6.252 -6.557 4.731 1.00 0.00 O ATOM 1072 CB THR A 76 -8.742 -7.946 6.604 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.735 -8.894 6.261 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.051 -8.637 6.215 1.00 0.00 C ATOM 0 H THR A 76 -8.976 -8.039 4.169 1.00 0.00 H new ATOM 0 HA THR A 76 -8.963 -5.875 6.124 1.00 0.00 H new ATOM 0 HB THR A 76 -8.794 -7.629 7.646 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.859 -9.709 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.223 -9.488 6.874 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.877 -7.932 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.987 -8.984 5.184 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.523 -5.785 6.840 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.140 -5.363 6.982 1.00 0.00 C ATOM 1084 C HIS A 77 -4.210 -6.528 6.637 1.00 0.00 C ATOM 1085 O HIS A 77 -3.183 -6.336 5.987 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.886 -4.796 8.380 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.577 -4.054 8.513 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.116 -3.558 9.720 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.638 -3.729 7.579 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -1.951 -2.964 9.510 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.656 -3.070 8.183 1.00 0.00 N ATOM 0 H HIS A 77 -7.108 -5.612 7.658 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.929 -4.555 6.282 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.702 -4.122 8.642 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.904 -5.613 9.101 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.592 -3.637 10.618 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.685 -3.967 6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.341 -2.480 10.259 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.603 -7.710 7.088 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.817 -8.906 6.835 1.00 0.00 C ATOM 1101 C GLU A 78 -3.793 -9.219 5.337 1.00 0.00 C ATOM 1102 O GLU A 78 -2.726 -9.274 4.728 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.355 -10.095 7.635 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.859 -11.419 7.050 1.00 0.00 C ATOM 1105 CD GLU A 78 -4.427 -12.608 7.827 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -4.339 -12.565 9.073 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -4.935 -13.533 7.158 1.00 0.00 O ATOM 0 H GLU A 78 -5.455 -7.865 7.627 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.794 -8.721 7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.038 -10.011 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.445 -10.077 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.152 -11.491 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.770 -11.448 7.079 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.983 -9.416 4.788 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.112 -9.722 3.373 1.00 0.00 C ATOM 1116 C GLN A 79 -4.265 -8.757 2.542 1.00 0.00 C ATOM 1117 O GLN A 79 -3.574 -9.173 1.613 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.577 -9.683 2.935 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.328 -10.925 3.419 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.792 -10.889 2.977 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.443 -9.857 2.981 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.272 -12.069 2.596 1.00 0.00 N ATOM 0 H GLN A 79 -5.866 -9.370 5.297 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.744 -10.734 3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.055 -8.787 3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.634 -9.620 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.848 -11.821 3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.274 -10.986 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.673 -12.894 2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.239 -12.149 2.283 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.346 -7.485 2.905 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.596 -6.457 2.204 1.00 0.00 C ATOM 1133 C ALA A 80 -2.098 -6.717 2.378 1.00 0.00 C ATOM 1134 O ALA A 80 -1.305 -6.414 1.488 1.00 0.00 O ATOM 1135 CB ALA A 80 -4.012 -5.079 2.722 1.00 0.00 C ATOM 0 H ALA A 80 -4.920 -7.143 3.676 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.814 -6.484 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.449 -4.308 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.078 -4.932 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.805 -5.014 3.790 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.757 -7.276 3.529 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.368 -7.581 3.830 1.00 0.00 C ATOM 1143 C ALA A 81 0.019 -8.897 3.153 1.00 0.00 C ATOM 1144 O ALA A 81 1.174 -9.087 2.774 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.173 -7.626 5.347 1.00 0.00 C ATOM 0 H ALA A 81 -2.418 -7.526 4.265 1.00 0.00 H new ATOM 0 HA ALA A 81 0.289 -6.804 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.868 -7.855 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.434 -6.659 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.815 -8.397 5.774 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.968 -9.771 3.023 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.744 -11.064 2.398 1.00 0.00 C ATOM 1153 C ALA A 82 -0.415 -10.860 0.918 1.00 0.00 C ATOM 1154 O ALA A 82 0.242 -11.699 0.303 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.974 -11.950 2.605 1.00 0.00 C ATOM 0 H ALA A 82 -1.924 -9.610 3.339 1.00 0.00 H new ATOM 0 HA ALA A 82 0.105 -11.571 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.807 -12.920 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.148 -12.088 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.845 -11.475 2.154 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.885 -9.741 0.388 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.649 -9.416 -1.008 1.00 0.00 C ATOM 1163 C ALA A 83 0.801 -8.958 -1.182 1.00 0.00 C ATOM 1164 O ALA A 83 1.315 -8.924 -2.299 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.654 -8.356 -1.463 1.00 0.00 C ATOM 0 H ALA A 83 -1.429 -9.047 0.901 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.795 -10.294 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.477 -8.112 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.667 -8.741 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.535 -7.458 -0.857 1.00 0.00 H new ATOM 1171 N LEU A 84 1.419 -8.618 -0.061 1.00 0.00 N ATOM 1172 CA LEU A 84 2.799 -8.164 -0.075 1.00 0.00 C ATOM 1173 C LEU A 84 3.722 -9.338 0.259 1.00 0.00 C ATOM 1174 O LEU A 84 4.867 -9.379 -0.188 1.00 0.00 O ATOM 1175 CB LEU A 84 2.977 -6.959 0.851 1.00 0.00 C ATOM 1176 CG LEU A 84 2.623 -5.596 0.254 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.152 -5.469 -1.176 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.117 -5.337 0.333 1.00 0.00 C ATOM 0 H LEU A 84 0.989 -8.648 0.864 1.00 0.00 H new ATOM 0 HA LEU A 84 3.074 -7.815 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.364 -7.115 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.015 -6.930 1.181 1.00 0.00 H new ATOM 0 HG LEU A 84 3.114 -4.825 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.886 -4.491 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.237 -5.578 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.710 -6.248 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.892 -4.361 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.585 -6.110 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.799 -5.355 1.375 1.00 0.00 H new ATOM 1190 N LYS A 85 3.188 -10.264 1.042 1.00 0.00 N ATOM 1191 CA LYS A 85 3.949 -11.436 1.441 1.00 0.00 C ATOM 1192 C LYS A 85 3.977 -12.438 0.285 1.00 0.00 C ATOM 1193 O LYS A 85 4.901 -13.243 0.179 1.00 0.00 O ATOM 1194 CB LYS A 85 3.396 -12.015 2.744 1.00 0.00 C ATOM 1195 CG LYS A 85 3.518 -13.540 2.762 1.00 0.00 C ATOM 1196 CD LYS A 85 2.294 -14.195 2.118 1.00 0.00 C ATOM 1197 CE LYS A 85 1.012 -13.805 2.856 1.00 0.00 C ATOM 1198 NZ LYS A 85 0.410 -14.988 3.511 1.00 0.00 N ATOM 0 H LYS A 85 2.238 -10.226 1.411 1.00 0.00 H new ATOM 0 HA LYS A 85 4.983 -11.165 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.936 -11.593 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.350 -11.729 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.420 -13.843 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.623 -13.888 3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.223 -13.893 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.409 -15.279 2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.233 -13.042 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.300 -13.369 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.459 -14.705 4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.181 -15.704 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.085 -15.387 4.195 1.00 0.00 H new ATOM 1212 N ARG A 86 2.952 -12.358 -0.551 1.00 0.00 N ATOM 1213 CA ARG A 86 2.847 -13.248 -1.694 1.00 0.00 C ATOM 1214 C ARG A 86 3.559 -12.642 -2.906 1.00 0.00 C ATOM 1215 O ARG A 86 3.776 -13.323 -3.907 1.00 0.00 O ATOM 1216 CB ARG A 86 1.384 -13.515 -2.052 1.00 0.00 C ATOM 1217 CG ARG A 86 0.763 -12.309 -2.758 1.00 0.00 C ATOM 1218 CD ARG A 86 0.602 -12.573 -4.257 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.770 -12.223 -4.688 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.816 -13.056 -4.616 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.655 -14.294 -4.128 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -3.025 -12.652 -5.030 1.00 0.00 N ATOM 0 H ARG A 86 2.187 -11.690 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 86 3.321 -14.192 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.318 -14.392 -2.696 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.820 -13.741 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.209 -12.087 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.391 -11.431 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.329 -11.986 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.804 -13.622 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.929 -11.288 -5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.736 -14.602 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.452 -14.928 -4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.149 -11.710 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.821 -13.287 -4.975 1.00 0.00 H new ATOM 1236 N ALA A 87 3.902 -11.369 -2.775 1.00 0.00 N ATOM 1237 CA ALA A 87 4.585 -10.664 -3.846 1.00 0.00 C ATOM 1238 C ALA A 87 6.015 -11.194 -3.970 1.00 0.00 C ATOM 1239 O ALA A 87 6.255 -12.388 -3.797 1.00 0.00 O ATOM 1240 CB ALA A 87 4.543 -9.159 -3.575 1.00 0.00 C ATOM 0 H ALA A 87 3.720 -10.808 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 87 4.085 -10.838 -4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.055 -8.630 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.506 -8.827 -3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.038 -8.946 -2.627 1.00 0.00 H new ATOM 1246 N GLY A 88 6.927 -10.281 -4.269 1.00 0.00 N ATOM 1247 CA GLY A 88 8.326 -10.642 -4.418 1.00 0.00 C ATOM 1248 C GLY A 88 9.223 -9.404 -4.344 1.00 0.00 C ATOM 1249 O GLY A 88 9.150 -8.636 -3.386 1.00 0.00 O ATOM 0 H GLY A 88 6.724 -9.292 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.608 -11.347 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.475 -11.147 -5.372 1.00 0.00 H new ATOM 1253 N GLN A 89 10.047 -9.248 -5.369 1.00 0.00 N ATOM 1254 CA GLN A 89 10.957 -8.117 -5.433 1.00 0.00 C ATOM 1255 C GLN A 89 10.285 -6.934 -6.134 1.00 0.00 C ATOM 1256 O GLN A 89 10.281 -5.820 -5.614 1.00 0.00 O ATOM 1257 CB GLN A 89 12.261 -8.500 -6.134 1.00 0.00 C ATOM 1258 CG GLN A 89 13.274 -9.066 -5.136 1.00 0.00 C ATOM 1259 CD GLN A 89 14.178 -7.962 -4.586 1.00 0.00 C ATOM 1260 OE1 GLN A 89 13.942 -6.779 -4.774 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.224 -8.411 -3.898 1.00 0.00 N ATOM 0 H GLN A 89 10.104 -9.886 -6.163 1.00 0.00 H new ATOM 0 HA GLN A 89 11.205 -7.818 -4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.058 -9.238 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.683 -7.625 -6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.748 -9.553 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.881 -9.829 -5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.363 -9.414 -3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.887 -7.752 -3.490 1.00 0.00 H new ATOM 1270 N SER A 90 9.732 -7.218 -7.304 1.00 0.00 N ATOM 1271 CA SER A 90 9.059 -6.192 -8.082 1.00 0.00 C ATOM 1272 C SER A 90 7.546 -6.286 -7.874 1.00 0.00 C ATOM 1273 O SER A 90 6.868 -7.052 -8.558 1.00 0.00 O ATOM 1274 CB SER A 90 9.399 -6.316 -9.569 1.00 0.00 C ATOM 1275 OG SER A 90 10.294 -7.395 -9.824 1.00 0.00 O ATOM 0 H SER A 90 9.736 -8.144 -7.732 1.00 0.00 H new ATOM 0 HA SER A 90 9.407 -5.218 -7.738 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.482 -6.463 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.845 -5.385 -9.918 1.00 0.00 H new ATOM 0 HG SER A 90 10.485 -7.442 -10.784 1.00 0.00 H new ATOM 1281 N VAL A 91 7.061 -5.497 -6.927 1.00 0.00 N ATOM 1282 CA VAL A 91 5.640 -5.481 -6.621 1.00 0.00 C ATOM 1283 C VAL A 91 5.027 -4.177 -7.133 1.00 0.00 C ATOM 1284 O VAL A 91 5.627 -3.111 -7.003 1.00 0.00 O ATOM 1285 CB VAL A 91 5.427 -5.694 -5.121 1.00 0.00 C ATOM 1286 CG1 VAL A 91 3.953 -5.962 -4.810 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.312 -6.826 -4.596 1.00 0.00 C ATOM 0 H VAL A 91 7.626 -4.864 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 91 5.130 -6.300 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 91 5.717 -4.777 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.829 -6.110 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.353 -5.111 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.626 -6.857 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.141 -6.956 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.067 -7.751 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.360 -6.579 -4.768 1.00 0.00 H new ATOM 1297 N THR A 92 3.838 -4.303 -7.703 1.00 0.00 N ATOM 1298 CA THR A 92 3.136 -3.148 -8.235 1.00 0.00 C ATOM 1299 C THR A 92 2.040 -2.697 -7.268 1.00 0.00 C ATOM 1300 O THR A 92 0.963 -3.290 -7.225 1.00 0.00 O ATOM 1301 CB THR A 92 2.608 -3.513 -9.624 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.743 -4.050 -10.297 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.232 -2.282 -10.451 1.00 0.00 C ATOM 0 H THR A 92 3.343 -5.188 -7.808 1.00 0.00 H new ATOM 0 HA THR A 92 3.805 -2.294 -8.340 1.00 0.00 H new ATOM 0 HB THR A 92 1.737 -4.161 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.489 -4.315 -11.206 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.864 -2.598 -11.427 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.454 -1.720 -9.934 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.110 -1.650 -10.582 1.00 0.00 H new ATOM 1311 N ILE A 93 2.353 -1.653 -6.515 1.00 0.00 N ATOM 1312 CA ILE A 93 1.408 -1.116 -5.550 1.00 0.00 C ATOM 1313 C ILE A 93 0.687 0.086 -6.164 1.00 0.00 C ATOM 1314 O ILE A 93 1.293 1.134 -6.381 1.00 0.00 O ATOM 1315 CB ILE A 93 2.112 -0.802 -4.228 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.529 -2.087 -3.511 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.242 0.093 -3.343 1.00 0.00 C ATOM 1318 CD1 ILE A 93 3.888 -2.578 -4.013 1.00 0.00 C ATOM 0 H ILE A 93 3.248 -1.164 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 93 0.646 -1.857 -5.310 1.00 0.00 H new ATOM 0 HB ILE A 93 3.024 -0.247 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.577 -1.909 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.777 -2.859 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.765 0.301 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.038 1.030 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.301 -0.414 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.161 -3.493 -3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.830 -2.778 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.642 -1.814 -3.827 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.598 -0.106 -6.425 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.408 0.949 -7.010 1.00 0.00 C ATOM 1332 C VAL A 94 -2.153 1.690 -5.897 1.00 0.00 C ATOM 1333 O VAL A 94 -3.169 1.209 -5.398 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.345 0.365 -8.069 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.072 1.475 -8.831 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.583 -0.551 -9.029 1.00 0.00 C ATOM 0 H VAL A 94 -1.098 -0.976 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.776 1.676 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.096 -0.236 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.731 1.032 -9.577 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.661 2.070 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.342 2.115 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.272 -0.953 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.800 0.018 -9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.133 -1.371 -8.469 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.618 2.849 -5.541 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.219 3.661 -4.496 1.00 0.00 C ATOM 1348 C ALA A 95 -2.516 5.056 -5.048 1.00 0.00 C ATOM 1349 O ALA A 95 -1.916 5.478 -6.036 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.290 3.700 -3.281 1.00 0.00 C ATOM 0 H ALA A 95 -0.775 3.245 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.164 3.228 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.741 4.309 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.135 2.687 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.332 4.132 -3.570 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.443 5.735 -4.387 1.00 0.00 N ATOM 1357 CA GLN A 96 -3.826 7.074 -4.800 1.00 0.00 C ATOM 1358 C GLN A 96 -3.712 8.045 -3.623 1.00 0.00 C ATOM 1359 O GLN A 96 -4.324 7.834 -2.577 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.241 7.084 -5.383 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.290 7.198 -4.275 1.00 0.00 C ATOM 1362 CD GLN A 96 -7.677 6.809 -4.791 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.456 6.153 -4.119 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -7.940 7.248 -6.018 1.00 0.00 N ATOM 0 H GLN A 96 -3.940 5.382 -3.569 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.143 7.401 -5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.347 7.919 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.409 6.172 -5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.014 6.553 -3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.313 8.219 -3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.242 7.793 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.839 7.040 -6.452 1.00 0.00 H new ATOM 1373 N TYR A 97 -2.923 9.089 -3.833 1.00 0.00 N ATOM 1374 CA TYR A 97 -2.720 10.093 -2.802 1.00 0.00 C ATOM 1375 C TYR A 97 -4.058 10.602 -2.263 1.00 0.00 C ATOM 1376 O TYR A 97 -4.660 11.507 -2.839 1.00 0.00 O ATOM 1377 CB TYR A 97 -1.983 11.250 -3.480 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.042 12.018 -2.550 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.356 12.158 -1.213 1.00 0.00 C ATOM 1380 CD2 TYR A 97 0.121 12.570 -3.048 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.470 12.881 -0.338 1.00 0.00 C ATOM 1382 CE2 TYR A 97 1.007 13.293 -2.173 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.668 13.413 -0.861 1.00 0.00 C ATOM 1384 OH TYR A 97 1.504 14.096 -0.034 1.00 0.00 O ATOM 0 H TYR A 97 -2.417 9.261 -4.702 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.162 9.676 -1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.408 10.859 -4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.717 11.943 -3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.266 11.725 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.366 12.460 -4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.703 12.998 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.920 13.730 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 97 2.277 14.419 -0.543 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.484 10.000 -1.162 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.740 10.381 -0.538 1.00 0.00 C ATOM 1396 C ARG A 98 -5.552 10.555 0.970 1.00 0.00 C ATOM 1397 O ARG A 98 -5.822 9.637 1.743 1.00 0.00 O ATOM 1398 CB ARG A 98 -6.823 9.331 -0.793 1.00 0.00 C ATOM 1399 CG ARG A 98 -7.881 9.858 -1.765 1.00 0.00 C ATOM 1400 CD ARG A 98 -8.805 10.865 -1.076 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.116 10.898 -1.761 1.00 0.00 N ATOM 1402 CZ ARG A 98 -10.320 11.444 -2.968 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -9.300 12.005 -3.630 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -11.545 11.428 -3.512 1.00 0.00 N ATOM 0 H ARG A 98 -3.981 9.251 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.056 11.326 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.369 8.427 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.296 9.055 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.393 10.331 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.469 9.027 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.939 10.592 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.352 11.856 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.915 10.479 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.368 12.017 -3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.455 12.421 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.322 11.000 -3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.701 11.843 -4.430 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.078 11.770 1.354 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.850 12.076 2.756 1.00 0.00 C ATOM 1420 C PRO A 99 -6.173 12.323 3.485 1.00 0.00 C ATOM 1421 O PRO A 99 -6.332 11.931 4.640 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.939 13.292 2.751 1.00 0.00 C ATOM 1423 CG PRO A 99 -4.065 13.902 1.364 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.747 12.881 0.467 1.00 0.00 C ATOM 0 HA PRO A 99 -4.387 11.251 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.236 14.005 3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.908 13.008 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.645 14.824 1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.082 14.161 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.641 13.297 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.088 12.560 -0.340 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.088 12.971 2.780 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.392 13.275 3.345 1.00 0.00 C ATOM 1434 C GLU A 100 -8.915 12.080 4.145 1.00 0.00 C ATOM 1435 O GLU A 100 -9.280 12.222 5.311 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.383 13.679 2.252 1.00 0.00 C ATOM 1437 CG GLU A 100 -10.213 14.889 2.684 1.00 0.00 C ATOM 1438 CD GLU A 100 -11.005 15.460 1.506 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.366 16.123 0.661 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -12.232 15.221 1.477 1.00 0.00 O ATOM 0 H GLU A 100 -6.952 13.294 1.822 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.284 14.122 4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.843 13.913 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.044 12.842 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.898 14.599 3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.557 15.658 3.092 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.934 10.931 3.487 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.407 9.712 4.122 1.00 0.00 C ATOM 1449 C GLU A 101 -8.445 9.286 5.233 1.00 0.00 C ATOM 1450 O GLU A 101 -8.822 9.243 6.403 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.589 8.593 3.095 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.738 8.910 2.136 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.676 7.711 1.989 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.355 6.838 1.154 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.694 7.693 2.716 1.00 0.00 O ATOM 0 H GLU A 101 -8.629 10.818 2.520 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.381 9.912 4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.666 8.459 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.788 7.652 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.297 9.770 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.337 9.184 1.160 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.221 8.981 4.827 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.202 8.559 5.774 1.00 0.00 C ATOM 1464 C TYR A 102 -6.258 9.400 7.050 1.00 0.00 C ATOM 1465 O TYR A 102 -6.020 8.891 8.145 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.859 8.794 5.080 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.644 8.499 5.962 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.400 7.211 6.392 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.791 9.521 6.326 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.256 6.933 7.222 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.647 9.243 7.155 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.436 7.963 7.562 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.356 7.701 8.346 1.00 0.00 O ATOM 0 H TYR A 102 -6.912 9.018 3.856 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.349 7.517 6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.808 8.169 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.810 9.831 4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.067 6.411 6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.982 10.529 5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.054 5.929 7.566 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.972 10.034 7.447 1.00 0.00 H new ATOM 0 HH TYR A 102 0.271 7.128 7.858 1.00 0.00 H new ATOM 1483 N SER A 103 -6.574 10.674 6.868 1.00 0.00 N ATOM 1484 CA SER A 103 -6.664 11.591 7.992 1.00 0.00 C ATOM 1485 C SER A 103 -7.512 10.973 9.105 1.00 0.00 C ATOM 1486 O SER A 103 -7.302 11.260 10.282 1.00 0.00 O ATOM 1487 CB SER A 103 -7.253 12.935 7.560 1.00 0.00 C ATOM 1488 OG SER A 103 -6.831 14.000 8.407 1.00 0.00 O ATOM 0 H SER A 103 -6.771 11.093 5.959 1.00 0.00 H new ATOM 0 HA SER A 103 -5.657 11.770 8.369 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.955 13.148 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.341 12.874 7.570 1.00 0.00 H new ATOM 0 HG SER A 103 -7.227 14.841 8.097 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.453 10.136 8.693 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.334 9.475 9.640 1.00 0.00 C ATOM 1496 C ARG A 104 -8.526 8.579 10.581 1.00 0.00 C ATOM 1497 O ARG A 104 -8.911 8.372 11.730 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.384 8.629 8.918 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.741 7.418 8.240 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.334 7.189 6.848 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.187 5.979 6.855 1.00 0.00 N ATOM 1502 CZ ARG A 104 -11.951 5.593 5.824 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -11.973 6.319 4.697 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -12.692 4.481 5.918 1.00 0.00 N ATOM 0 H ARG A 104 -8.624 9.901 7.715 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.841 10.249 10.216 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.138 8.294 9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.897 9.237 8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.665 7.571 8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.892 6.530 8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.921 8.056 6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.534 7.076 6.117 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.194 5.403 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.408 7.165 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.555 6.025 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.675 3.928 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.273 4.188 5.133 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.419 8.072 10.058 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.553 7.203 10.836 1.00 0.00 C ATOM 1520 C PHE A 105 -5.557 8.019 11.662 1.00 0.00 C ATOM 1521 O PHE A 105 -5.292 7.695 12.819 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.781 6.334 9.842 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.578 5.142 9.308 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.761 4.042 10.088 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -7.103 5.181 8.054 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.501 2.936 9.592 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.843 4.075 7.559 1.00 0.00 C ATOM 1528 CZ PHE A 105 -8.026 2.976 8.338 1.00 0.00 C ATOM 0 H PHE A 105 -7.102 8.247 9.104 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.149 6.603 11.523 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.466 6.953 9.002 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.875 5.966 10.324 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.344 4.010 11.084 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.957 6.054 7.435 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.647 2.063 10.211 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -8.261 4.107 6.563 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.588 2.135 7.961 1.00 0.00 H new