USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 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 Set 1.1: A 71 LYS NZ :NH3+ 139:sc= -0.725 (180deg=-3.2) USER MOD Set 1.2: A 74 THR OG1 : rot -30:sc= 0.316 USER MOD Single : A 19 HIS : no HD1:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -84:sc= 0.717 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 80:sc= 1.21 USER MOD Single : A 62 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.043) USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= 0.174 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.056) USER MOD Single : A 72 SER OG : rot -54:sc= -0.717 USER MOD Single : A 80 SER OG : rot 39:sc= 1.21 USER MOD Single : A 83 GLN : amide:sc=-0.00048 X(o=-0.00048,f=-0.016) USER MOD Single : A 84 LYS NZ :NH3+ 133:sc= -3.03 (180deg=-4.59!) USER MOD Single : A 85 ASN : amide:sc= 0.199 K(o=0.2,f=-0.82) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0403) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 98 MET CE :methyl 154:sc= -0.249 (180deg=-1.48!) USER MOD Single : A 100 HIS : no HE2:sc= -6.32! C(o=-6.3!,f=-8.7!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.0263 K(o=-0.026,f=-1.4!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 0.697 -0.924 10.576 1.00 0.00 N ATOM 225 CA HIS A 19 -0.291 -1.128 9.521 1.00 0.00 C ATOM 226 C HIS A 19 -0.570 -2.611 9.300 1.00 0.00 C ATOM 227 O HIS A 19 -1.019 -3.002 8.230 1.00 0.00 O ATOM 228 CB HIS A 19 0.186 -0.488 8.209 1.00 0.00 C ATOM 229 CG HIS A 19 0.310 1.005 8.271 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.767 1.864 8.282 1.00 0.00 N ATOM 231 CD2 HIS A 19 1.416 1.794 8.323 1.00 0.00 C ATOM 232 CE1 HIS A 19 -0.294 3.117 8.335 1.00 0.00 C ATOM 233 NE2 HIS A 19 1.024 3.130 8.364 1.00 0.00 N ATOM 0 HA HIS A 19 -1.217 -0.649 9.839 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.153 -0.912 7.940 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.510 -0.752 7.413 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.437 1.441 8.331 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.913 4.002 8.352 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.631 3.949 8.407 1.00 0.00 H new ATOM 240 N THR A 20 -0.276 -3.438 10.300 1.00 0.00 N ATOM 241 CA THR A 20 -0.480 -4.882 10.183 1.00 0.00 C ATOM 242 C THR A 20 -1.947 -5.296 10.375 1.00 0.00 C ATOM 243 O THR A 20 -2.605 -4.890 11.337 1.00 0.00 O ATOM 244 CB THR A 20 0.411 -5.657 11.184 1.00 0.00 C ATOM 245 OG1 THR A 20 0.173 -7.066 11.075 1.00 0.00 O ATOM 246 CG2 THR A 20 0.160 -5.206 12.618 1.00 0.00 C ATOM 0 H THR A 20 0.103 -3.136 11.198 1.00 0.00 H new ATOM 0 HA THR A 20 -0.193 -5.142 9.164 1.00 0.00 H new ATOM 0 HB THR A 20 1.450 -5.443 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.744 -7.544 11.712 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.802 -5.770 13.295 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.382 -4.143 12.709 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.884 -5.382 12.877 1.00 0.00 H new ATOM 254 N LEU A 21 -2.438 -6.114 9.439 1.00 0.00 N ATOM 255 CA LEU A 21 -3.803 -6.642 9.462 1.00 0.00 C ATOM 256 C LEU A 21 -3.932 -7.736 8.401 1.00 0.00 C ATOM 257 O LEU A 21 -2.947 -8.073 7.747 1.00 0.00 O ATOM 258 CB LEU A 21 -4.842 -5.543 9.220 1.00 0.00 C ATOM 259 CG LEU A 21 -6.057 -5.580 10.154 1.00 0.00 C ATOM 260 CD1 LEU A 21 -5.826 -4.694 11.369 1.00 0.00 C ATOM 261 CD2 LEU A 21 -7.318 -5.156 9.416 1.00 0.00 C ATOM 0 H LEU A 21 -1.893 -6.430 8.637 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.997 -7.056 10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.354 -4.574 9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.192 -5.616 8.190 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.191 -6.606 10.497 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.700 -4.734 12.020 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.951 -5.046 11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.662 -3.667 11.044 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.168 -5.190 10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.195 -4.141 9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.496 -5.834 8.581 1.00 0.00 H new ATOM 273 N LEU A 22 -5.132 -8.293 8.230 1.00 0.00 N ATOM 274 CA LEU A 22 -5.336 -9.354 7.239 1.00 0.00 C ATOM 275 C LEU A 22 -5.484 -8.797 5.820 1.00 0.00 C ATOM 276 O LEU A 22 -4.728 -9.166 4.925 1.00 0.00 O ATOM 277 CB LEU A 22 -6.568 -10.192 7.599 1.00 0.00 C ATOM 278 CG LEU A 22 -6.264 -11.575 8.184 1.00 0.00 C ATOM 279 CD1 LEU A 22 -5.622 -11.450 9.558 1.00 0.00 C ATOM 280 CD2 LEU A 22 -7.535 -12.409 8.262 1.00 0.00 C ATOM 0 H LEU A 22 -5.967 -8.033 8.755 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.447 -9.985 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.170 -9.635 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.176 -10.319 6.704 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.558 -12.079 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.415 -12.444 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.690 -10.891 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.301 -10.925 10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.302 -13.389 8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.262 -11.906 8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.952 -12.531 7.262 1.00 0.00 H new ATOM 292 N PHE A 23 -6.464 -7.918 5.617 1.00 0.00 N ATOM 293 CA PHE A 23 -6.688 -7.312 4.300 1.00 0.00 C ATOM 294 C PHE A 23 -5.603 -6.290 3.986 1.00 0.00 C ATOM 295 O PHE A 23 -5.185 -6.124 2.838 1.00 0.00 O ATOM 296 CB PHE A 23 -8.070 -6.654 4.235 1.00 0.00 C ATOM 297 CG PHE A 23 -9.201 -7.642 4.171 1.00 0.00 C ATOM 298 CD1 PHE A 23 -9.904 -7.992 5.314 1.00 0.00 C ATOM 299 CD2 PHE A 23 -9.558 -8.227 2.965 1.00 0.00 C ATOM 300 CE1 PHE A 23 -10.939 -8.904 5.255 1.00 0.00 C ATOM 301 CE2 PHE A 23 -10.592 -9.139 2.901 1.00 0.00 C ATOM 302 CZ PHE A 23 -11.285 -9.479 4.047 1.00 0.00 C ATOM 0 H PHE A 23 -7.113 -7.609 6.341 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.645 -8.104 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.203 -6.018 5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.114 -6.006 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.639 -7.546 6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.020 -7.966 2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.478 -9.168 6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.859 -9.587 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.095 -10.192 3.999 1.00 0.00 H new ATOM 312 N ASP A 24 -5.165 -5.601 5.027 1.00 0.00 N ATOM 313 CA ASP A 24 -4.124 -4.589 4.927 1.00 0.00 C ATOM 314 C ASP A 24 -2.870 -5.055 5.646 1.00 0.00 C ATOM 315 O ASP A 24 -2.567 -4.585 6.733 1.00 0.00 O ATOM 316 CB ASP A 24 -4.567 -3.211 5.451 1.00 0.00 C ATOM 317 CG ASP A 24 -5.492 -3.265 6.652 1.00 0.00 C ATOM 318 OD1 ASP A 24 -6.596 -3.840 6.535 1.00 0.00 O ATOM 319 OD2 ASP A 24 -5.121 -2.714 7.710 1.00 0.00 O ATOM 0 H ASP A 24 -5.524 -5.729 5.973 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.911 -4.460 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.681 -2.635 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.068 -2.674 4.646 1.00 0.00 H new ATOM 324 N LEU A 25 -2.199 -6.044 5.053 1.00 0.00 N ATOM 325 CA LEU A 25 -0.967 -6.614 5.607 1.00 0.00 C ATOM 326 C LEU A 25 0.032 -5.509 5.985 1.00 0.00 C ATOM 327 O LEU A 25 -0.057 -4.395 5.465 1.00 0.00 O ATOM 328 CB LEU A 25 -0.329 -7.560 4.579 1.00 0.00 C ATOM 329 CG LEU A 25 -1.149 -8.810 4.250 1.00 0.00 C ATOM 330 CD1 LEU A 25 -0.531 -9.575 3.090 1.00 0.00 C ATOM 331 CD2 LEU A 25 -1.281 -9.709 5.471 1.00 0.00 C ATOM 0 H LEU A 25 -2.493 -6.473 4.176 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.221 -7.169 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.155 -7.005 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.646 -7.872 4.952 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.147 -8.487 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.132 -10.459 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.499 -8.935 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.482 -9.880 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.868 -10.590 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.290 -10.018 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.780 -9.164 6.272 1.00 0.00 H new ATOM 343 N PRO A 26 0.973 -5.818 6.915 1.00 0.00 N ATOM 344 CA PRO A 26 1.999 -4.877 7.412 1.00 0.00 C ATOM 345 C PRO A 26 2.572 -3.920 6.352 1.00 0.00 C ATOM 346 O PRO A 26 2.461 -4.165 5.148 1.00 0.00 O ATOM 347 CB PRO A 26 3.106 -5.812 7.905 1.00 0.00 C ATOM 348 CG PRO A 26 2.446 -7.112 8.239 1.00 0.00 C ATOM 349 CD PRO A 26 1.084 -7.125 7.588 1.00 0.00 C ATOM 0 HA PRO A 26 1.571 -4.211 8.161 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.868 -5.950 7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.606 -5.395 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.047 -7.948 7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.353 -7.226 9.319 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.994 -7.945 6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.294 -7.257 8.327 1.00 0.00 H new ATOM 357 N PRO A 27 3.248 -2.831 6.811 1.00 0.00 N ATOM 358 CA PRO A 27 3.848 -1.803 5.942 1.00 0.00 C ATOM 359 C PRO A 27 4.718 -2.344 4.811 1.00 0.00 C ATOM 360 O PRO A 27 5.133 -1.589 3.945 1.00 0.00 O ATOM 361 CB PRO A 27 4.718 -0.987 6.889 1.00 0.00 C ATOM 362 CG PRO A 27 4.051 -1.110 8.201 1.00 0.00 C ATOM 363 CD PRO A 27 3.449 -2.491 8.236 1.00 0.00 C ATOM 0 HA PRO A 27 3.058 -1.248 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.737 -1.373 6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.782 0.054 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.764 -0.975 9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.282 -0.347 8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.113 -3.203 8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.508 -2.502 8.785 1.00 0.00 H new ATOM 371 N ALA A 28 5.001 -3.638 4.825 1.00 0.00 N ATOM 372 CA ALA A 28 5.821 -4.258 3.797 1.00 0.00 C ATOM 373 C ALA A 28 5.251 -3.987 2.404 1.00 0.00 C ATOM 374 O ALA A 28 6.005 -3.812 1.448 1.00 0.00 O ATOM 375 CB ALA A 28 5.916 -5.755 4.047 1.00 0.00 C ATOM 0 H ALA A 28 4.671 -4.283 5.543 1.00 0.00 H new ATOM 0 HA ALA A 28 6.819 -3.823 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.532 -6.215 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.367 -5.933 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.918 -6.192 4.023 1.00 0.00 H new ATOM 381 N LEU A 29 3.922 -3.963 2.280 1.00 0.00 N ATOM 382 CA LEU A 29 3.307 -3.695 0.983 1.00 0.00 C ATOM 383 C LEU A 29 2.658 -2.305 0.910 1.00 0.00 C ATOM 384 O LEU A 29 3.239 -1.377 0.355 1.00 0.00 O ATOM 385 CB LEU A 29 2.279 -4.774 0.646 1.00 0.00 C ATOM 386 CG LEU A 29 2.259 -5.183 -0.825 1.00 0.00 C ATOM 387 CD1 LEU A 29 3.631 -5.686 -1.250 1.00 0.00 C ATOM 388 CD2 LEU A 29 1.200 -6.243 -1.072 1.00 0.00 C ATOM 0 H LEU A 29 3.266 -4.122 3.044 1.00 0.00 H new ATOM 0 HA LEU A 29 4.109 -3.713 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.482 -5.656 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.288 -4.416 0.925 1.00 0.00 H new ATOM 0 HG LEU A 29 2.009 -4.308 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.603 -5.974 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.368 -4.895 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.906 -6.549 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.202 -6.521 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.416 -7.122 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.220 -5.848 -0.803 1.00 0.00 H new ATOM 400 N LEU A 30 1.467 -2.157 1.494 1.00 0.00 N ATOM 401 CA LEU A 30 0.727 -0.888 1.457 1.00 0.00 C ATOM 402 C LEU A 30 1.479 0.260 2.140 1.00 0.00 C ATOM 403 O LEU A 30 1.604 1.336 1.566 1.00 0.00 O ATOM 404 CB LEU A 30 -0.651 -1.077 2.128 1.00 0.00 C ATOM 405 CG LEU A 30 -1.683 0.047 1.924 1.00 0.00 C ATOM 406 CD1 LEU A 30 -1.626 1.052 3.066 1.00 0.00 C ATOM 407 CD2 LEU A 30 -1.488 0.748 0.585 1.00 0.00 C ATOM 0 H LEU A 30 0.990 -2.903 2.001 1.00 0.00 H new ATOM 0 HA LEU A 30 0.609 -0.613 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.084 -2.007 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.493 -1.203 3.199 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.671 -0.414 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.365 1.836 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.841 0.546 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.631 1.495 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.234 1.535 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.490 1.185 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.601 0.026 -0.224 1.00 0.00 H new ATOM 419 N GLY A 31 1.998 0.024 3.343 1.00 0.00 N ATOM 420 CA GLY A 31 2.681 1.088 4.073 1.00 0.00 C ATOM 421 C GLY A 31 3.904 1.660 3.369 1.00 0.00 C ATOM 422 O GLY A 31 3.999 2.871 3.165 1.00 0.00 O ATOM 0 H GLY A 31 1.961 -0.875 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.973 1.896 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.986 0.704 5.047 1.00 0.00 H new ATOM 426 N GLU A 32 4.822 0.792 2.976 1.00 0.00 N ATOM 427 CA GLU A 32 6.054 1.215 2.322 1.00 0.00 C ATOM 428 C GLU A 32 5.836 1.710 0.893 1.00 0.00 C ATOM 429 O GLU A 32 6.394 2.736 0.505 1.00 0.00 O ATOM 430 CB GLU A 32 7.063 0.060 2.340 1.00 0.00 C ATOM 431 CG GLU A 32 8.483 0.457 1.950 1.00 0.00 C ATOM 432 CD GLU A 32 8.730 0.375 0.457 1.00 0.00 C ATOM 433 OE1 GLU A 32 8.025 -0.402 -0.220 1.00 0.00 O ATOM 434 OE2 GLU A 32 9.630 1.083 -0.035 1.00 0.00 O ATOM 0 H GLU A 32 4.738 -0.217 3.099 1.00 0.00 H new ATOM 0 HA GLU A 32 6.444 2.065 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.082 -0.374 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.717 -0.719 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.677 1.474 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.191 -0.191 2.466 1.00 0.00 H new ATOM 441 N LEU A 33 5.026 0.997 0.113 1.00 0.00 N ATOM 442 CA LEU A 33 4.803 1.381 -1.280 1.00 0.00 C ATOM 443 C LEU A 33 4.053 2.706 -1.415 1.00 0.00 C ATOM 444 O LEU A 33 4.373 3.505 -2.290 1.00 0.00 O ATOM 445 CB LEU A 33 4.084 0.272 -2.062 1.00 0.00 C ATOM 446 CG LEU A 33 4.882 -1.028 -2.221 1.00 0.00 C ATOM 447 CD1 LEU A 33 4.043 -2.090 -2.916 1.00 0.00 C ATOM 448 CD2 LEU A 33 6.172 -0.778 -2.986 1.00 0.00 C ATOM 0 H LEU A 33 4.521 0.164 0.415 1.00 0.00 H new ATOM 0 HA LEU A 33 5.792 1.526 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.144 0.045 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.833 0.651 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 33 5.141 -1.393 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.627 -3.005 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.151 -2.294 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.750 -1.733 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.722 -1.714 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.938 -0.386 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.782 -0.055 -2.444 1.00 0.00 H new ATOM 460 N CYS A 34 3.058 2.951 -0.561 1.00 0.00 N ATOM 461 CA CYS A 34 2.304 4.200 -0.652 1.00 0.00 C ATOM 462 C CYS A 34 3.112 5.391 -0.136 1.00 0.00 C ATOM 463 O CYS A 34 2.940 6.511 -0.610 1.00 0.00 O ATOM 464 CB CYS A 34 0.974 4.113 0.110 1.00 0.00 C ATOM 465 SG CYS A 34 1.134 4.141 1.910 1.00 0.00 S ATOM 0 H CYS A 34 2.762 2.319 0.183 1.00 0.00 H new ATOM 0 HA CYS A 34 2.094 4.356 -1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.339 4.944 -0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.463 3.196 -0.182 1.00 0.00 H new ATOM 0 HG CYS A 34 1.387 2.941 2.342 1.00 0.00 H new ATOM 471 N ALA A 35 3.995 5.151 0.835 1.00 0.00 N ATOM 472 CA ALA A 35 4.798 6.229 1.410 1.00 0.00 C ATOM 473 C ALA A 35 6.077 6.523 0.619 1.00 0.00 C ATOM 474 O ALA A 35 6.299 7.655 0.192 1.00 0.00 O ATOM 475 CB ALA A 35 5.144 5.907 2.855 1.00 0.00 C ATOM 0 H ALA A 35 4.171 4.230 1.236 1.00 0.00 H new ATOM 0 HA ALA A 35 4.187 7.131 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.742 6.716 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.226 5.797 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.712 4.977 2.895 1.00 0.00 H new ATOM 481 N VAL A 36 6.911 5.502 0.431 1.00 0.00 N ATOM 482 CA VAL A 36 8.190 5.665 -0.265 1.00 0.00 C ATOM 483 C VAL A 36 8.026 6.058 -1.739 1.00 0.00 C ATOM 484 O VAL A 36 8.708 6.967 -2.220 1.00 0.00 O ATOM 485 CB VAL A 36 9.057 4.387 -0.145 1.00 0.00 C ATOM 486 CG1 VAL A 36 10.295 4.472 -1.030 1.00 0.00 C ATOM 487 CG2 VAL A 36 9.458 4.161 1.306 1.00 0.00 C ATOM 0 H VAL A 36 6.725 4.551 0.751 1.00 0.00 H new ATOM 0 HA VAL A 36 8.700 6.491 0.231 1.00 0.00 H new ATOM 0 HB VAL A 36 8.461 3.541 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.882 3.560 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.991 4.588 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.898 5.329 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.067 3.260 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.031 5.017 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.563 4.044 1.917 1.00 0.00 H new ATOM 497 N LEU A 37 7.120 5.396 -2.456 1.00 0.00 N ATOM 498 CA LEU A 37 6.912 5.698 -3.874 1.00 0.00 C ATOM 499 C LEU A 37 6.152 7.016 -4.060 1.00 0.00 C ATOM 500 O LEU A 37 6.133 7.574 -5.152 1.00 0.00 O ATOM 501 CB LEU A 37 6.182 4.563 -4.595 1.00 0.00 C ATOM 502 CG LEU A 37 6.870 3.200 -4.585 1.00 0.00 C ATOM 503 CD1 LEU A 37 6.038 2.186 -5.349 1.00 0.00 C ATOM 504 CD2 LEU A 37 8.264 3.302 -5.172 1.00 0.00 C ATOM 0 H LEU A 37 6.524 4.656 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 37 7.901 5.803 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.195 4.451 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.028 4.860 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 37 6.961 2.864 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.540 1.218 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.058 2.094 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.918 2.517 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.738 2.321 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.201 3.658 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.857 4.001 -4.582 1.00 0.00 H new ATOM 516 N ASP A 38 5.500 7.488 -3.002 1.00 0.00 N ATOM 517 CA ASP A 38 4.760 8.756 -3.044 1.00 0.00 C ATOM 518 C ASP A 38 5.676 9.910 -3.439 1.00 0.00 C ATOM 519 O ASP A 38 5.281 10.807 -4.179 1.00 0.00 O ATOM 520 CB ASP A 38 4.128 9.050 -1.680 1.00 0.00 C ATOM 521 CG ASP A 38 3.570 10.458 -1.578 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.397 10.659 -1.947 1.00 0.00 O ATOM 523 OD2 ASP A 38 4.310 11.359 -1.133 1.00 0.00 O ATOM 0 H ASP A 38 5.466 7.014 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 38 3.975 8.659 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.328 8.333 -1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.875 8.903 -0.900 1.00 0.00 H new ATOM 528 N SER A 39 6.902 9.870 -2.936 1.00 0.00 N ATOM 529 CA SER A 39 7.882 10.914 -3.215 1.00 0.00 C ATOM 530 C SER A 39 8.684 10.607 -4.479 1.00 0.00 C ATOM 531 O SER A 39 9.692 11.258 -4.756 1.00 0.00 O ATOM 532 CB SER A 39 8.827 11.079 -2.023 1.00 0.00 C ATOM 533 OG SER A 39 8.114 11.455 -0.857 1.00 0.00 O ATOM 0 H SER A 39 7.244 9.124 -2.330 1.00 0.00 H new ATOM 0 HA SER A 39 7.340 11.845 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.358 10.144 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.579 11.834 -2.253 1.00 0.00 H new ATOM 0 HG SER A 39 8.739 11.553 -0.109 1.00 0.00 H new ATOM 539 N CYS A 40 8.242 9.604 -5.234 1.00 0.00 N ATOM 540 CA CYS A 40 8.924 9.210 -6.463 1.00 0.00 C ATOM 541 C CYS A 40 8.808 10.295 -7.531 1.00 0.00 C ATOM 542 O CYS A 40 7.792 10.979 -7.633 1.00 0.00 O ATOM 543 CB CYS A 40 8.367 7.895 -6.998 1.00 0.00 C ATOM 544 SG CYS A 40 9.360 7.175 -8.319 1.00 0.00 S ATOM 0 H CYS A 40 7.414 9.049 -5.016 1.00 0.00 H new ATOM 0 HA CYS A 40 9.978 9.073 -6.221 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.295 7.180 -6.178 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.354 8.062 -7.366 1.00 0.00 H new ATOM 0 HG CYS A 40 10.384 6.560 -7.806 1.00 0.00 H new ATOM 550 N ASP A 41 9.860 10.439 -8.329 1.00 0.00 N ATOM 551 CA ASP A 41 9.889 11.445 -9.383 1.00 0.00 C ATOM 552 C ASP A 41 10.451 10.856 -10.678 1.00 0.00 C ATOM 553 O ASP A 41 11.371 11.410 -11.277 1.00 0.00 O ATOM 554 CB ASP A 41 10.726 12.652 -8.950 1.00 0.00 C ATOM 555 CG ASP A 41 10.396 13.902 -9.743 1.00 0.00 C ATOM 556 OD1 ASP A 41 9.307 13.947 -10.354 1.00 0.00 O ATOM 557 OD2 ASP A 41 11.223 14.835 -9.749 1.00 0.00 O ATOM 0 H ASP A 41 10.705 9.871 -8.266 1.00 0.00 H new ATOM 0 HA ASP A 41 8.866 11.774 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.560 12.844 -7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.784 12.418 -9.070 1.00 0.00 H new ATOM 562 N GLY A 42 9.900 9.719 -11.085 1.00 0.00 N ATOM 563 CA GLY A 42 10.337 9.072 -12.310 1.00 0.00 C ATOM 564 C GLY A 42 11.423 8.029 -12.102 1.00 0.00 C ATOM 565 O GLY A 42 11.716 7.256 -13.014 1.00 0.00 O ATOM 0 H GLY A 42 9.155 9.231 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.478 8.598 -12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.704 9.832 -13.000 1.00 0.00 H new ATOM 569 N ALA A 43 12.029 8.005 -10.912 1.00 0.00 N ATOM 570 CA ALA A 43 13.078 7.027 -10.611 1.00 0.00 C ATOM 571 C ALA A 43 12.527 5.604 -10.652 1.00 0.00 C ATOM 572 O ALA A 43 13.162 4.690 -11.176 1.00 0.00 O ATOM 573 CB ALA A 43 13.698 7.317 -9.252 1.00 0.00 C ATOM 0 H ALA A 43 11.814 8.645 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 43 13.851 7.113 -11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.475 6.582 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.135 8.316 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.929 7.261 -8.482 1.00 0.00 H new ATOM 579 N LEU A 44 11.340 5.433 -10.082 1.00 0.00 N ATOM 580 CA LEU A 44 10.663 4.140 -10.064 1.00 0.00 C ATOM 581 C LEU A 44 9.317 4.266 -10.765 1.00 0.00 C ATOM 582 O LEU A 44 8.819 3.321 -11.373 1.00 0.00 O ATOM 583 CB LEU A 44 10.462 3.649 -8.621 1.00 0.00 C ATOM 584 CG LEU A 44 11.759 3.344 -7.861 1.00 0.00 C ATOM 585 CD1 LEU A 44 11.475 3.153 -6.386 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.431 2.105 -8.434 1.00 0.00 C ATOM 0 H LEU A 44 10.822 6.181 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 44 11.282 3.411 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.903 4.405 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.848 2.749 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 44 12.435 4.191 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.406 2.937 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.032 4.062 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.783 2.322 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.350 1.902 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.758 1.252 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.667 2.272 -9.485 1.00 0.00 H new ATOM 598 N GLY A 45 8.747 5.462 -10.672 1.00 0.00 N ATOM 599 CA GLY A 45 7.464 5.733 -11.275 1.00 0.00 C ATOM 600 C GLY A 45 6.327 5.355 -10.354 1.00 0.00 C ATOM 601 O GLY A 45 6.197 4.190 -9.982 1.00 0.00 O ATOM 0 H GLY A 45 9.160 6.255 -10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.395 6.792 -11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.376 5.179 -12.210 1.00 0.00 H new ATOM 605 N TRP A 46 5.515 6.334 -9.961 1.00 0.00 N ATOM 606 CA TRP A 46 4.372 6.057 -9.089 1.00 0.00 C ATOM 607 C TRP A 46 3.468 4.994 -9.718 1.00 0.00 C ATOM 608 O TRP A 46 2.984 4.091 -9.034 1.00 0.00 O ATOM 609 CB TRP A 46 3.580 7.341 -8.796 1.00 0.00 C ATOM 610 CG TRP A 46 3.453 8.267 -9.973 1.00 0.00 C ATOM 611 CD1 TRP A 46 2.537 8.192 -10.982 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.257 9.420 -10.250 1.00 0.00 C ATOM 613 NE1 TRP A 46 2.733 9.212 -11.877 1.00 0.00 N ATOM 614 CE2 TRP A 46 3.780 9.984 -11.450 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.336 10.029 -9.604 1.00 0.00 C ATOM 616 CZ2 TRP A 46 4.346 11.124 -12.014 1.00 0.00 C ATOM 617 CZ3 TRP A 46 5.895 11.161 -10.165 1.00 0.00 C ATOM 618 CH2 TRP A 46 5.400 11.700 -11.358 1.00 0.00 C ATOM 0 H TRP A 46 5.623 7.313 -10.227 1.00 0.00 H new ATOM 0 HA TRP A 46 4.750 5.673 -8.141 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.582 7.069 -8.452 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.064 7.875 -7.978 1.00 0.00 H new ATOM 0 HD1 TRP A 46 1.768 7.438 -11.064 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.187 9.370 -12.724 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.726 9.622 -8.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.967 11.539 -12.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.730 11.639 -9.674 1.00 0.00 H new ATOM 0 HH2 TRP A 46 5.859 12.587 -11.769 1.00 0.00 H new ATOM 629 N ARG A 47 3.231 5.124 -11.022 1.00 0.00 N ATOM 630 CA ARG A 47 2.429 4.158 -11.770 1.00 0.00 C ATOM 631 C ARG A 47 3.266 2.961 -12.210 1.00 0.00 C ATOM 632 O ARG A 47 2.748 2.074 -12.855 1.00 0.00 O ATOM 633 CB ARG A 47 1.779 4.793 -13.006 1.00 0.00 C ATOM 634 CG ARG A 47 2.779 5.372 -13.996 1.00 0.00 C ATOM 635 CD ARG A 47 2.086 6.064 -15.159 1.00 0.00 C ATOM 636 NE ARG A 47 3.047 6.615 -16.111 1.00 0.00 N ATOM 637 CZ ARG A 47 2.706 7.308 -17.194 1.00 0.00 C ATOM 638 NH1 ARG A 47 3.646 7.769 -18.009 1.00 0.00 N ATOM 639 NH2 ARG A 47 1.427 7.539 -17.462 1.00 0.00 N ATOM 0 H ARG A 47 3.586 5.896 -11.586 1.00 0.00 H new ATOM 0 HA ARG A 47 1.645 3.820 -11.092 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.173 4.042 -13.513 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.102 5.584 -12.683 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.427 6.083 -13.484 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.418 4.575 -14.376 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.435 5.354 -15.669 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.450 6.864 -14.780 1.00 0.00 H new ATOM 0 HE ARG A 47 4.039 6.459 -15.935 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.630 7.592 -17.805 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.385 8.300 -18.840 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.703 7.185 -16.837 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.168 8.071 -18.293 1.00 0.00 H new ATOM 653 N GLY A 48 4.550 2.941 -11.869 1.00 0.00 N ATOM 654 CA GLY A 48 5.414 1.854 -12.313 1.00 0.00 C ATOM 655 C GLY A 48 4.922 0.476 -11.915 1.00 0.00 C ATOM 656 O GLY A 48 4.837 -0.417 -12.758 1.00 0.00 O ATOM 0 H GLY A 48 5.009 3.651 -11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.506 1.897 -13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.412 2.005 -11.902 1.00 0.00 H new ATOM 660 N LEU A 49 4.595 0.291 -10.643 1.00 0.00 N ATOM 661 CA LEU A 49 4.102 -0.999 -10.181 1.00 0.00 C ATOM 662 C LEU A 49 2.681 -1.268 -10.681 1.00 0.00 C ATOM 663 O LEU A 49 2.363 -2.380 -11.102 1.00 0.00 O ATOM 664 CB LEU A 49 4.147 -1.073 -8.652 1.00 0.00 C ATOM 665 CG LEU A 49 5.549 -0.991 -8.031 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.457 -1.044 -6.516 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.433 -2.114 -8.548 1.00 0.00 C ATOM 0 H LEU A 49 4.661 1.008 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 49 4.754 -1.769 -10.593 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.541 -0.262 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.682 -2.007 -8.336 1.00 0.00 H new ATOM 0 HG LEU A 49 5.999 -0.042 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.458 -0.985 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.860 -0.205 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.987 -1.980 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.421 -2.037 -8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.989 -3.075 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.523 -2.037 -9.631 1.00 0.00 H new ATOM 679 N ALA A 50 1.829 -0.240 -10.637 1.00 0.00 N ATOM 680 CA ALA A 50 0.438 -0.374 -11.080 1.00 0.00 C ATOM 681 C ALA A 50 0.304 -0.650 -12.575 1.00 0.00 C ATOM 682 O ALA A 50 -0.493 -1.493 -12.985 1.00 0.00 O ATOM 683 CB ALA A 50 -0.342 0.879 -10.736 1.00 0.00 C ATOM 0 H ALA A 50 2.076 0.691 -10.301 1.00 0.00 H new ATOM 0 HA ALA A 50 0.032 -1.237 -10.553 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.374 0.768 -11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.324 1.034 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.110 1.737 -11.233 1.00 0.00 H new ATOM 689 N GLU A 51 1.095 0.059 -13.377 1.00 0.00 N ATOM 690 CA GLU A 51 1.055 -0.062 -14.829 1.00 0.00 C ATOM 691 C GLU A 51 1.383 -1.485 -15.276 1.00 0.00 C ATOM 692 O GLU A 51 0.709 -2.049 -16.137 1.00 0.00 O ATOM 693 CB GLU A 51 2.053 0.921 -15.465 1.00 0.00 C ATOM 694 CG GLU A 51 2.060 0.909 -16.988 1.00 0.00 C ATOM 695 CD GLU A 51 3.025 1.918 -17.581 1.00 0.00 C ATOM 696 OE1 GLU A 51 3.713 2.613 -16.803 1.00 0.00 O ATOM 697 OE2 GLU A 51 3.092 2.013 -18.825 1.00 0.00 O ATOM 0 H GLU A 51 1.781 0.733 -13.037 1.00 0.00 H new ATOM 0 HA GLU A 51 0.044 0.176 -15.158 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.820 1.929 -15.122 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.055 0.686 -15.107 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.325 -0.089 -17.337 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.054 1.118 -17.353 1.00 0.00 H new ATOM 704 N ARG A 52 2.434 -2.050 -14.688 1.00 0.00 N ATOM 705 CA ARG A 52 2.865 -3.404 -15.017 1.00 0.00 C ATOM 706 C ARG A 52 1.876 -4.453 -14.505 1.00 0.00 C ATOM 707 O ARG A 52 1.659 -5.474 -15.157 1.00 0.00 O ATOM 708 CB ARG A 52 4.281 -3.661 -14.486 1.00 0.00 C ATOM 709 CG ARG A 52 5.330 -2.872 -15.253 1.00 0.00 C ATOM 710 CD ARG A 52 6.739 -3.066 -14.724 1.00 0.00 C ATOM 711 NE ARG A 52 7.702 -2.335 -15.550 1.00 0.00 N ATOM 712 CZ ARG A 52 9.006 -2.274 -15.303 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.808 -1.627 -16.139 1.00 0.00 N ATOM 714 NH2 ARG A 52 9.506 -2.838 -14.217 1.00 0.00 N ATOM 0 H ARG A 52 3.004 -1.589 -13.979 1.00 0.00 H new ATOM 0 HA ARG A 52 2.888 -3.494 -16.103 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.326 -3.393 -13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.506 -4.725 -14.555 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.300 -3.167 -16.302 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.078 -1.812 -15.213 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.798 -2.718 -13.693 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.988 -4.127 -14.717 1.00 0.00 H new ATOM 0 HE ARG A 52 7.348 -1.840 -16.369 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.423 -1.177 -16.970 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.809 -1.579 -15.951 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.890 -3.323 -13.564 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.508 -2.788 -14.032 1.00 0.00 H new ATOM 851 N ASP A 61 -5.223 8.819 -15.331 1.00 0.00 N ATOM 852 CA ASP A 61 -5.860 10.090 -14.989 1.00 0.00 C ATOM 853 C ASP A 61 -6.020 10.226 -13.476 1.00 0.00 C ATOM 854 O ASP A 61 -5.670 11.253 -12.896 1.00 0.00 O ATOM 855 CB ASP A 61 -7.226 10.200 -15.678 1.00 0.00 C ATOM 856 CG ASP A 61 -7.915 11.524 -15.409 1.00 0.00 C ATOM 857 OD1 ASP A 61 -7.370 12.570 -15.819 1.00 0.00 O ATOM 858 OD2 ASP A 61 -9.006 11.510 -14.802 1.00 0.00 O ATOM 0 HA ASP A 61 -5.220 10.900 -15.340 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.097 10.075 -16.753 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.866 9.387 -15.337 1.00 0.00 H new ATOM 863 N HIS A 62 -6.537 9.175 -12.843 1.00 0.00 N ATOM 864 CA HIS A 62 -6.722 9.164 -11.397 1.00 0.00 C ATOM 865 C HIS A 62 -5.376 9.012 -10.684 1.00 0.00 C ATOM 866 O HIS A 62 -5.210 9.474 -9.553 1.00 0.00 O ATOM 867 CB HIS A 62 -7.684 8.048 -10.980 1.00 0.00 C ATOM 868 CG HIS A 62 -8.447 8.363 -9.729 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.404 9.351 -9.646 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.381 7.801 -8.495 1.00 0.00 C ATOM 871 CE1 HIS A 62 -9.877 9.359 -8.393 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.289 8.438 -7.653 1.00 0.00 N ATOM 0 H HIS A 62 -6.835 8.319 -13.311 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.161 10.117 -11.102 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.389 7.863 -11.791 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.120 7.127 -10.832 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.728 6.989 -8.211 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.641 10.033 -8.034 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.463 8.235 -6.669 1.00 0.00 H new ATOM 879 N ILE A 63 -4.419 8.359 -11.355 1.00 0.00 N ATOM 880 CA ILE A 63 -3.079 8.162 -10.796 1.00 0.00 C ATOM 881 C ILE A 63 -2.422 9.519 -10.516 1.00 0.00 C ATOM 882 O ILE A 63 -1.792 9.723 -9.479 1.00 0.00 O ATOM 883 CB ILE A 63 -2.170 7.331 -11.739 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.647 5.877 -11.805 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.718 7.384 -11.285 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.945 5.053 -12.864 1.00 0.00 C ATOM 0 H ILE A 63 -4.549 7.959 -12.284 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.194 7.605 -9.866 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.235 7.768 -12.735 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.494 5.409 -10.833 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.719 5.864 -11.999 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.103 6.793 -11.964 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.373 8.418 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.637 6.979 -10.276 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.335 4.035 -12.851 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.119 5.496 -13.845 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.874 5.034 -12.660 1.00 0.00 H new ATOM 898 N GLU A 64 -2.553 10.434 -11.463 1.00 0.00 N ATOM 899 CA GLU A 64 -1.998 11.775 -11.313 1.00 0.00 C ATOM 900 C GLU A 64 -2.713 12.551 -10.201 1.00 0.00 C ATOM 901 O GLU A 64 -2.095 13.327 -9.476 1.00 0.00 O ATOM 902 CB GLU A 64 -2.108 12.538 -12.634 1.00 0.00 C ATOM 903 CG GLU A 64 -1.185 12.009 -13.724 1.00 0.00 C ATOM 904 CD GLU A 64 -1.437 12.655 -15.073 1.00 0.00 C ATOM 905 OE1 GLU A 64 -2.477 13.330 -15.226 1.00 0.00 O ATOM 906 OE2 GLU A 64 -0.592 12.486 -15.976 1.00 0.00 O ATOM 0 H GLU A 64 -3.039 10.275 -12.346 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.948 11.677 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.138 12.489 -12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.881 13.589 -12.456 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.149 12.181 -13.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.316 10.931 -13.813 1.00 0.00 H new ATOM 913 N LYS A 65 -4.021 12.346 -10.093 1.00 0.00 N ATOM 914 CA LYS A 65 -4.851 13.047 -9.109 1.00 0.00 C ATOM 915 C LYS A 65 -4.495 12.759 -7.639 1.00 0.00 C ATOM 916 O LYS A 65 -4.387 13.692 -6.843 1.00 0.00 O ATOM 917 CB LYS A 65 -6.317 12.693 -9.361 1.00 0.00 C ATOM 918 CG LYS A 65 -6.871 13.291 -10.643 1.00 0.00 C ATOM 919 CD LYS A 65 -8.302 12.849 -10.899 1.00 0.00 C ATOM 920 CE LYS A 65 -8.857 13.485 -12.162 1.00 0.00 C ATOM 921 NZ LYS A 65 -10.250 13.041 -12.444 1.00 0.00 N ATOM 0 H LYS A 65 -4.538 11.692 -10.681 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.660 14.111 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.419 11.609 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.916 13.039 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.832 14.379 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.243 12.995 -11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.339 11.763 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.927 13.120 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.836 14.570 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.217 13.231 -13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.255 12.425 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.619 12.516 -11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.850 13.872 -12.621 1.00 0.00 H new ATOM 935 N GLU A 66 -4.307 11.491 -7.264 1.00 0.00 N ATOM 936 CA GLU A 66 -3.999 11.173 -5.859 1.00 0.00 C ATOM 937 C GLU A 66 -2.502 11.170 -5.553 1.00 0.00 C ATOM 938 O GLU A 66 -2.120 10.976 -4.402 1.00 0.00 O ATOM 939 CB GLU A 66 -4.627 9.848 -5.393 1.00 0.00 C ATOM 940 CG GLU A 66 -5.988 9.556 -6.009 1.00 0.00 C ATOM 941 CD GLU A 66 -6.728 8.449 -5.284 1.00 0.00 C ATOM 942 OE1 GLU A 66 -7.473 8.761 -4.330 1.00 0.00 O ATOM 943 OE2 GLU A 66 -6.561 7.271 -5.665 1.00 0.00 O ATOM 0 H GLU A 66 -4.359 10.686 -7.889 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.454 11.986 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.947 9.031 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.728 9.868 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.592 10.463 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.858 9.277 -7.055 1.00 0.00 H new ATOM 950 N VAL A 67 -1.648 11.358 -6.562 1.00 0.00 N ATOM 951 CA VAL A 67 -0.200 11.354 -6.325 1.00 0.00 C ATOM 952 C VAL A 67 0.193 12.407 -5.277 1.00 0.00 C ATOM 953 O VAL A 67 1.118 12.203 -4.493 1.00 0.00 O ATOM 954 CB VAL A 67 0.612 11.560 -7.633 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.585 13.009 -8.099 1.00 0.00 C ATOM 956 CG2 VAL A 67 2.045 11.078 -7.454 1.00 0.00 C ATOM 0 H VAL A 67 -1.924 11.512 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 67 0.051 10.366 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 67 0.136 10.962 -8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.165 13.107 -9.016 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.445 13.312 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.016 13.647 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.599 11.230 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.520 11.641 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.043 10.017 -7.202 1.00 0.00 H new ATOM 966 N ASP A 68 -0.534 13.526 -5.258 1.00 0.00 N ATOM 967 CA ASP A 68 -0.283 14.595 -4.290 1.00 0.00 C ATOM 968 C ASP A 68 -1.084 14.367 -3.008 1.00 0.00 C ATOM 969 O ASP A 68 -0.956 15.116 -2.041 1.00 0.00 O ATOM 970 CB ASP A 68 -0.634 15.964 -4.883 1.00 0.00 C ATOM 971 CG ASP A 68 0.341 16.413 -5.952 1.00 0.00 C ATOM 972 OD1 ASP A 68 1.435 15.820 -6.050 1.00 0.00 O ATOM 973 OD2 ASP A 68 0.009 17.361 -6.694 1.00 0.00 O ATOM 0 H ASP A 68 -1.302 13.715 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 68 0.780 14.579 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.637 15.924 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.656 16.705 -4.084 1.00 0.00 H new ATOM 978 N GLN A 69 -1.915 13.328 -3.018 1.00 0.00 N ATOM 979 CA GLN A 69 -2.767 12.996 -1.878 1.00 0.00 C ATOM 980 C GLN A 69 -2.264 11.758 -1.133 1.00 0.00 C ATOM 981 O GLN A 69 -3.025 11.111 -0.415 1.00 0.00 O ATOM 982 CB GLN A 69 -4.209 12.764 -2.341 1.00 0.00 C ATOM 983 CG GLN A 69 -4.838 13.966 -3.032 1.00 0.00 C ATOM 984 CD GLN A 69 -4.910 15.187 -2.136 1.00 0.00 C ATOM 985 OE1 GLN A 69 -5.493 15.143 -1.055 1.00 0.00 O ATOM 986 NE2 GLN A 69 -4.319 16.287 -2.581 1.00 0.00 N ATOM 0 H GLN A 69 -2.017 12.695 -3.811 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.733 13.842 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.228 11.914 -3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.818 12.494 -1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.261 14.209 -3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.843 13.704 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.845 16.282 -3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.338 17.139 -2.020 1.00 0.00 H new ATOM 995 N GLY A 70 -0.984 11.436 -1.293 1.00 0.00 N ATOM 996 CA GLY A 70 -0.432 10.271 -0.619 1.00 0.00 C ATOM 997 C GLY A 70 -0.221 9.066 -1.524 1.00 0.00 C ATOM 998 O GLY A 70 -0.184 7.939 -1.027 1.00 0.00 O ATOM 0 H GLY A 70 -0.323 11.955 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.522 10.544 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.099 9.987 0.195 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.125 9.320 -2.843 1.00 0.00 N ATOM 1003 CA LYS A 71 0.129 8.295 -3.880 1.00 0.00 C ATOM 1004 C LYS A 71 -1.168 7.794 -4.506 1.00 0.00 C ATOM 1005 O LYS A 71 -2.213 7.737 -3.864 1.00 0.00 O ATOM 1006 CB LYS A 71 0.946 7.100 -3.346 1.00 0.00 C ATOM 1007 CG LYS A 71 0.957 5.875 -4.262 1.00 0.00 C ATOM 1008 CD LYS A 71 1.888 6.064 -5.454 1.00 0.00 C ATOM 1009 CE LYS A 71 3.232 5.444 -5.202 1.00 0.00 C ATOM 1010 NZ LYS A 71 3.506 4.325 -6.149 1.00 0.00 N ATOM 0 H LYS A 71 -0.223 10.260 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 71 0.724 8.790 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.974 7.424 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.545 6.808 -2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.269 4.999 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.054 5.680 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.440 5.618 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.009 7.128 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.008 6.203 -5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.276 5.074 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.497 4.370 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.334 3.417 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.878 4.407 -6.974 1.00 0.00 H new ATOM 1024 N SER A 72 -1.079 7.450 -5.784 1.00 0.00 N ATOM 1025 CA SER A 72 -2.212 6.930 -6.524 1.00 0.00 C ATOM 1026 C SER A 72 -1.799 5.720 -7.343 1.00 0.00 C ATOM 1027 O SER A 72 -2.561 4.780 -7.479 1.00 0.00 O ATOM 1028 CB SER A 72 -2.775 7.993 -7.444 1.00 0.00 C ATOM 1029 OG SER A 72 -4.113 7.700 -7.804 1.00 0.00 O ATOM 0 H SER A 72 -0.222 7.525 -6.331 1.00 0.00 H new ATOM 0 HA SER A 72 -2.979 6.633 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.732 8.964 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.161 8.064 -8.342 1.00 0.00 H new ATOM 0 HG SER A 72 -4.160 6.797 -8.181 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.584 5.743 -7.884 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.119 4.627 -8.691 1.00 0.00 C ATOM 1037 C GLY A 73 -0.313 3.291 -8.000 1.00 0.00 C ATOM 1038 O GLY A 73 -1.123 2.476 -8.434 1.00 0.00 O ATOM 0 H GLY A 73 0.083 6.508 -7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.653 4.622 -9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.938 4.764 -8.920 1.00 0.00 H new ATOM 1042 N THR A 74 0.394 3.071 -6.907 1.00 0.00 N ATOM 1043 CA THR A 74 0.267 1.825 -6.178 1.00 0.00 C ATOM 1044 C THR A 74 -0.886 1.884 -5.175 1.00 0.00 C ATOM 1045 O THR A 74 -1.601 0.899 -4.982 1.00 0.00 O ATOM 1046 CB THR A 74 1.576 1.468 -5.444 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.680 1.564 -6.351 1.00 0.00 O ATOM 1048 CG2 THR A 74 1.517 0.056 -4.877 1.00 0.00 C ATOM 0 H THR A 74 1.058 3.735 -6.507 1.00 0.00 H new ATOM 0 HA THR A 74 0.054 1.047 -6.911 1.00 0.00 H new ATOM 0 HB THR A 74 1.706 2.171 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.376 1.356 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.452 -0.170 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.690 -0.018 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.367 -0.656 -5.689 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.067 3.049 -4.546 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.106 3.222 -3.532 1.00 0.00 C ATOM 1058 C ARG A 75 -3.511 2.986 -4.095 1.00 0.00 C ATOM 1059 O ARG A 75 -4.303 2.263 -3.494 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.040 4.623 -2.918 1.00 0.00 C ATOM 1061 CG ARG A 75 -2.961 4.778 -1.720 1.00 0.00 C ATOM 1062 CD ARG A 75 -2.858 6.146 -1.078 1.00 0.00 C ATOM 1063 NE ARG A 75 -3.744 6.264 0.079 1.00 0.00 N ATOM 1064 CZ ARG A 75 -3.847 7.359 0.822 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -4.684 7.389 1.851 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -3.110 8.422 0.537 1.00 0.00 N ATOM 0 H ARG A 75 -0.508 3.884 -4.722 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.916 2.473 -2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.015 4.835 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.307 5.361 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.991 4.605 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.720 4.015 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.829 6.327 -0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.111 6.913 -1.811 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.316 5.458 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.250 6.570 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.762 8.231 2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.465 8.398 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.188 9.264 1.107 1.00 0.00 H new ATOM 1080 N GLU A 76 -3.813 3.582 -5.250 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.133 3.428 -5.867 1.00 0.00 C ATOM 1082 C GLU A 76 -5.397 1.971 -6.224 1.00 0.00 C ATOM 1083 O GLU A 76 -6.495 1.465 -6.014 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.256 4.302 -7.121 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.601 4.191 -7.817 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.644 4.919 -9.146 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.624 5.533 -9.525 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.698 4.869 -9.813 1.00 0.00 O ATOM 0 H GLU A 76 -3.167 4.172 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.878 3.752 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.085 5.343 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.470 4.025 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.834 3.139 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.376 4.593 -7.164 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.379 1.307 -6.765 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.495 -0.093 -7.162 1.00 0.00 C ATOM 1097 C LEU A 77 -4.815 -0.980 -5.957 1.00 0.00 C ATOM 1098 O LEU A 77 -5.702 -1.832 -6.021 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.187 -0.549 -7.820 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.154 -2.005 -8.297 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.209 -2.247 -9.365 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.770 -2.354 -8.819 1.00 0.00 C ATOM 0 H LEU A 77 -3.462 1.718 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.314 -0.186 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.987 0.098 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.374 -0.400 -7.110 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.379 -2.653 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.167 -3.287 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.197 -2.034 -8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.021 -1.594 -10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.759 -3.391 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.520 -1.699 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.037 -2.223 -8.023 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.093 -0.769 -4.861 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.298 -1.549 -3.641 1.00 0.00 C ATOM 1116 C LEU A 78 -5.637 -1.201 -2.970 1.00 0.00 C ATOM 1117 O LEU A 78 -6.347 -2.079 -2.485 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.121 -1.327 -2.674 1.00 0.00 C ATOM 1119 CG LEU A 78 -1.758 -1.791 -3.200 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -0.663 -1.497 -2.186 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -1.786 -3.273 -3.540 1.00 0.00 C ATOM 0 H LEU A 78 -3.359 -0.064 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.338 -2.605 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.060 -0.265 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.332 -1.851 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.540 -1.236 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.296 -1.834 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.621 -0.424 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.879 -2.022 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.808 -3.580 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.031 -3.847 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.539 -3.456 -4.307 1.00 0.00 H new ATOM 1133 N TRP A 79 -5.987 0.083 -2.982 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.229 0.572 -2.363 1.00 0.00 C ATOM 1135 C TRP A 79 -8.473 0.344 -3.227 1.00 0.00 C ATOM 1136 O TRP A 79 -9.584 0.648 -2.796 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.109 2.055 -2.009 1.00 0.00 C ATOM 1138 CG TRP A 79 -6.426 2.303 -0.697 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -5.098 2.531 -0.491 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -7.048 2.360 0.593 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -4.852 2.721 0.848 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -6.034 2.621 1.532 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -8.363 2.213 1.043 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -6.296 2.739 2.896 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -8.622 2.330 2.395 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -7.593 2.591 3.308 1.00 0.00 C ATOM 0 H TRP A 79 -5.425 0.815 -3.417 1.00 0.00 H new ATOM 0 HA TRP A 79 -7.362 -0.017 -1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -6.558 2.566 -2.799 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.106 2.495 -1.980 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.348 2.558 -1.267 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.939 2.906 1.264 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -9.163 2.011 0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -5.504 2.940 3.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.635 2.218 2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -7.827 2.677 4.359 1.00 0.00 H new ATOM 1157 N SER A 80 -8.291 -0.161 -4.447 1.00 0.00 N ATOM 1158 CA SER A 80 -9.417 -0.389 -5.361 1.00 0.00 C ATOM 1159 C SER A 80 -10.465 -1.334 -4.768 1.00 0.00 C ATOM 1160 O SER A 80 -11.663 -1.120 -4.951 1.00 0.00 O ATOM 1161 CB SER A 80 -8.923 -0.955 -6.697 1.00 0.00 C ATOM 1162 OG SER A 80 -8.166 0.004 -7.415 1.00 0.00 O ATOM 0 H SER A 80 -7.380 -0.420 -4.827 1.00 0.00 H new ATOM 0 HA SER A 80 -9.889 0.580 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.314 -1.841 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.776 -1.272 -7.298 1.00 0.00 H new ATOM 0 HG SER A 80 -7.605 0.511 -6.792 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.027 -2.381 -4.075 1.00 0.00 N ATOM 1169 CA TRP A 81 -10.968 -3.323 -3.473 1.00 0.00 C ATOM 1170 C TRP A 81 -11.410 -2.845 -2.084 1.00 0.00 C ATOM 1171 O TRP A 81 -12.407 -2.134 -1.953 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.339 -4.718 -3.387 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.189 -5.380 -4.723 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.048 -5.477 -5.468 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.216 -6.041 -5.473 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -9.303 -6.155 -6.636 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -10.627 -6.512 -6.662 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -12.577 -6.278 -5.258 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.350 -7.206 -7.628 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -13.295 -6.967 -6.216 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -12.681 -7.425 -7.389 1.00 0.00 C ATOM 0 H TRP A 81 -9.043 -2.598 -3.917 1.00 0.00 H new ATOM 0 HA TRP A 81 -11.853 -3.376 -4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.359 -4.640 -2.915 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -10.953 -5.348 -2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.086 -5.079 -5.181 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -8.619 -6.359 -7.365 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.059 -5.928 -4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -10.879 -7.559 -8.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.347 -7.156 -6.058 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.269 -7.961 -8.119 1.00 0.00 H new ATOM 1192 N ALA A 82 -10.676 -3.250 -1.052 1.00 0.00 N ATOM 1193 CA ALA A 82 -10.982 -2.834 0.317 1.00 0.00 C ATOM 1194 C ALA A 82 -9.936 -1.836 0.797 1.00 0.00 C ATOM 1195 O ALA A 82 -10.110 -0.625 0.684 1.00 0.00 O ATOM 1196 CB ALA A 82 -11.046 -4.042 1.244 1.00 0.00 C ATOM 0 H ALA A 82 -9.866 -3.865 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.959 -2.351 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.275 -3.711 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.824 -4.723 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.085 -4.556 1.238 1.00 0.00 H new ATOM 1202 N GLN A 83 -8.848 -2.368 1.340 1.00 0.00 N ATOM 1203 CA GLN A 83 -7.733 -1.555 1.805 1.00 0.00 C ATOM 1204 C GLN A 83 -6.547 -1.821 0.893 1.00 0.00 C ATOM 1205 O GLN A 83 -5.981 -0.906 0.300 1.00 0.00 O ATOM 1206 CB GLN A 83 -7.381 -1.882 3.259 1.00 0.00 C ATOM 1207 CG GLN A 83 -8.136 -1.042 4.282 1.00 0.00 C ATOM 1208 CD GLN A 83 -9.618 -1.360 4.329 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -10.014 -2.514 4.494 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -10.447 -0.335 4.183 1.00 0.00 N ATOM 0 H GLN A 83 -8.715 -3.371 1.470 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.006 -0.500 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.589 -2.936 3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.310 -1.738 3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.703 -1.205 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.003 0.014 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.076 0.606 4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.455 -0.487 4.205 1.00 0.00 H new ATOM 1219 N LYS A 84 -6.165 -3.091 0.808 1.00 0.00 N ATOM 1220 CA LYS A 84 -5.096 -3.512 -0.085 1.00 0.00 C ATOM 1221 C LYS A 84 -5.556 -4.740 -0.877 1.00 0.00 C ATOM 1222 O LYS A 84 -5.349 -4.824 -2.088 1.00 0.00 O ATOM 1223 CB LYS A 84 -3.809 -3.807 0.701 1.00 0.00 C ATOM 1224 CG LYS A 84 -2.803 -4.663 -0.058 1.00 0.00 C ATOM 1225 CD LYS A 84 -1.443 -4.690 0.614 1.00 0.00 C ATOM 1226 CE LYS A 84 -1.524 -5.257 2.018 1.00 0.00 C ATOM 1227 NZ LYS A 84 -2.204 -6.582 2.044 1.00 0.00 N ATOM 0 H LYS A 84 -6.583 -3.848 1.350 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.870 -2.705 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.336 -2.863 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.071 -4.311 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.185 -5.681 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.696 -4.280 -1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.754 -5.289 0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.035 -3.680 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.519 -5.357 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.062 -4.560 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.647 -7.247 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.152 -6.478 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.289 -6.948 1.074 1.00 0.00 H new ATOM 1241 N ASN A 85 -6.204 -5.677 -0.165 1.00 0.00 N ATOM 1242 CA ASN A 85 -6.747 -6.918 -0.745 1.00 0.00 C ATOM 1243 C ASN A 85 -5.719 -7.624 -1.630 1.00 0.00 C ATOM 1244 O ASN A 85 -6.064 -8.246 -2.636 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.021 -6.633 -1.544 1.00 0.00 C ATOM 1246 CG ASN A 85 -8.887 -7.869 -1.700 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.058 -8.641 -0.756 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.434 -8.070 -2.890 1.00 0.00 N ATOM 0 H ASN A 85 -6.367 -5.594 0.838 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.991 -7.582 0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.593 -5.851 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.753 -6.253 -2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.021 -8.888 -3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.268 -7.406 -3.646 1.00 0.00 H new ATOM 1255 N LYS A 86 -4.461 -7.534 -1.241 1.00 0.00 N ATOM 1256 CA LYS A 86 -3.374 -8.141 -1.986 1.00 0.00 C ATOM 1257 C LYS A 86 -2.382 -8.761 -1.021 1.00 0.00 C ATOM 1258 O LYS A 86 -2.478 -8.556 0.186 1.00 0.00 O ATOM 1259 CB LYS A 86 -2.667 -7.095 -2.857 1.00 0.00 C ATOM 1260 CG LYS A 86 -2.870 -7.287 -4.354 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.226 -6.771 -4.811 1.00 0.00 C ATOM 1262 CE LYS A 86 -4.685 -7.458 -6.086 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.716 -7.267 -7.204 1.00 0.00 N ATOM 0 H LYS A 86 -4.164 -7.038 -0.400 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.783 -8.914 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.025 -6.104 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.599 -7.121 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.081 -6.767 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.782 -8.345 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.962 -6.934 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.170 -5.695 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.815 -8.524 -5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.659 -7.065 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.128 -7.633 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.507 -6.254 -7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.837 -7.781 -6.993 1.00 0.00 H new ATOM 1277 N THR A 87 -1.430 -9.514 -1.541 1.00 0.00 N ATOM 1278 CA THR A 87 -0.429 -10.134 -0.695 1.00 0.00 C ATOM 1279 C THR A 87 0.966 -9.705 -1.125 1.00 0.00 C ATOM 1280 O THR A 87 1.172 -9.274 -2.264 1.00 0.00 O ATOM 1281 CB THR A 87 -0.524 -11.672 -0.713 1.00 0.00 C ATOM 1282 OG1 THR A 87 -0.281 -12.169 -2.038 1.00 0.00 O ATOM 1283 CG2 THR A 87 -1.892 -12.141 -0.236 1.00 0.00 C ATOM 0 H THR A 87 -1.330 -9.710 -2.537 1.00 0.00 H new ATOM 0 HA THR A 87 -0.620 -9.799 0.324 1.00 0.00 H new ATOM 0 HB THR A 87 0.234 -12.063 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.342 -13.147 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.932 -13.230 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.061 -11.793 0.783 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.664 -11.736 -0.890 1.00 0.00 H new ATOM 1291 N ILE A 88 1.916 -9.829 -0.207 1.00 0.00 N ATOM 1292 CA ILE A 88 3.304 -9.456 -0.463 1.00 0.00 C ATOM 1293 C ILE A 88 3.884 -10.256 -1.631 1.00 0.00 C ATOM 1294 O ILE A 88 4.591 -9.704 -2.471 1.00 0.00 O ATOM 1295 CB ILE A 88 4.157 -9.615 0.826 1.00 0.00 C ATOM 1296 CG1 ILE A 88 4.013 -8.364 1.712 1.00 0.00 C ATOM 1297 CG2 ILE A 88 5.622 -9.883 0.506 1.00 0.00 C ATOM 1298 CD1 ILE A 88 2.633 -8.170 2.297 1.00 0.00 C ATOM 0 H ILE A 88 1.749 -10.189 0.733 1.00 0.00 H new ATOM 0 HA ILE A 88 3.331 -8.405 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 88 3.782 -10.482 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.735 -8.425 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.272 -7.484 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.184 -9.988 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.705 -10.802 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 88 6.026 -9.051 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.620 -7.267 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.906 -8.074 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.376 -9.029 2.916 1.00 0.00 H new ATOM 1310 N GLY A 89 3.566 -11.548 -1.692 1.00 0.00 N ATOM 1311 CA GLY A 89 4.053 -12.388 -2.776 1.00 0.00 C ATOM 1312 C GLY A 89 3.553 -11.934 -4.143 1.00 0.00 C ATOM 1313 O GLY A 89 4.298 -11.967 -5.123 1.00 0.00 O ATOM 0 H GLY A 89 2.979 -12.029 -1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.143 -12.383 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.738 -13.417 -2.602 1.00 0.00 H new ATOM 1317 N ASP A 90 2.285 -11.521 -4.202 1.00 0.00 N ATOM 1318 CA ASP A 90 1.674 -11.060 -5.452 1.00 0.00 C ATOM 1319 C ASP A 90 2.353 -9.796 -5.989 1.00 0.00 C ATOM 1320 O ASP A 90 2.660 -9.706 -7.176 1.00 0.00 O ATOM 1321 CB ASP A 90 0.178 -10.798 -5.243 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.534 -10.397 -6.522 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.998 -11.299 -7.248 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -0.627 -9.181 -6.796 1.00 0.00 O ATOM 0 H ASP A 90 1.659 -11.496 -3.397 1.00 0.00 H new ATOM 0 HA ASP A 90 1.808 -11.849 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.290 -11.695 -4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.052 -10.010 -4.500 1.00 0.00 H new ATOM 1329 N LEU A 91 2.590 -8.828 -5.104 1.00 0.00 N ATOM 1330 CA LEU A 91 3.229 -7.570 -5.498 1.00 0.00 C ATOM 1331 C LEU A 91 4.733 -7.746 -5.688 1.00 0.00 C ATOM 1332 O LEU A 91 5.360 -6.987 -6.419 1.00 0.00 O ATOM 1333 CB LEU A 91 2.968 -6.473 -4.457 1.00 0.00 C ATOM 1334 CG LEU A 91 2.243 -5.217 -4.966 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.874 -4.710 -6.255 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.763 -5.503 -5.172 1.00 0.00 C ATOM 0 H LEU A 91 2.351 -8.889 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 91 2.790 -7.270 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.381 -6.903 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.924 -6.169 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 91 2.343 -4.437 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.343 -3.821 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.920 -4.462 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.812 -5.484 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.265 -4.603 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.645 -6.301 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.317 -5.810 -4.226 1.00 0.00 H new ATOM 1348 N LEU A 92 5.300 -8.752 -5.025 1.00 0.00 N ATOM 1349 CA LEU A 92 6.734 -9.026 -5.107 1.00 0.00 C ATOM 1350 C LEU A 92 7.163 -9.325 -6.541 1.00 0.00 C ATOM 1351 O LEU A 92 8.214 -8.867 -6.982 1.00 0.00 O ATOM 1352 CB LEU A 92 7.108 -10.201 -4.194 1.00 0.00 C ATOM 1353 CG LEU A 92 8.595 -10.572 -4.173 1.00 0.00 C ATOM 1354 CD1 LEU A 92 9.433 -9.407 -3.660 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.821 -11.807 -3.317 1.00 0.00 C ATOM 0 H LEU A 92 4.786 -9.394 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 92 7.261 -8.132 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.797 -9.962 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.537 -11.076 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 92 8.908 -10.795 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.485 -9.691 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.294 -8.544 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.119 -9.151 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.882 -12.057 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.491 -11.608 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.253 -12.642 -3.726 1.00 0.00 H new ATOM 1367 N GLN A 93 6.345 -10.086 -7.265 1.00 0.00 N ATOM 1368 CA GLN A 93 6.654 -10.441 -8.650 1.00 0.00 C ATOM 1369 C GLN A 93 6.748 -9.188 -9.524 1.00 0.00 C ATOM 1370 O GLN A 93 7.652 -9.059 -10.351 1.00 0.00 O ATOM 1371 CB GLN A 93 5.572 -11.380 -9.186 1.00 0.00 C ATOM 1372 CG GLN A 93 5.593 -12.755 -8.538 1.00 0.00 C ATOM 1373 CD GLN A 93 4.386 -13.590 -8.907 1.00 0.00 C ATOM 1374 OE1 GLN A 93 4.339 -14.200 -9.974 1.00 0.00 O ATOM 1375 NE2 GLN A 93 3.397 -13.620 -8.024 1.00 0.00 N ATOM 0 H GLN A 93 5.465 -10.468 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 93 7.620 -10.945 -8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.594 -10.925 -9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.699 -11.492 -10.263 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.499 -13.280 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.634 -12.642 -7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.477 -13.099 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.556 -14.164 -8.218 1.00 0.00 H new ATOM 1384 N VAL A 94 5.806 -8.268 -9.327 1.00 0.00 N ATOM 1385 CA VAL A 94 5.790 -7.003 -10.060 1.00 0.00 C ATOM 1386 C VAL A 94 6.945 -6.121 -9.588 1.00 0.00 C ATOM 1387 O VAL A 94 7.612 -5.450 -10.380 1.00 0.00 O ATOM 1388 CB VAL A 94 4.446 -6.261 -9.861 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.477 -4.886 -10.514 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.294 -7.092 -10.409 1.00 0.00 C ATOM 0 H VAL A 94 5.040 -8.376 -8.662 1.00 0.00 H new ATOM 0 HA VAL A 94 5.905 -7.219 -11.122 1.00 0.00 H new ATOM 0 HB VAL A 94 4.292 -6.119 -8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.520 -4.388 -10.358 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.273 -4.290 -10.069 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.660 -4.995 -11.583 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.356 -6.556 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.447 -7.269 -11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.253 -8.047 -9.885 1.00 0.00 H new ATOM 1400 N LEU A 95 7.165 -6.150 -8.277 1.00 0.00 N ATOM 1401 CA LEU A 95 8.215 -5.375 -7.627 1.00 0.00 C ATOM 1402 C LEU A 95 9.597 -5.767 -8.149 1.00 0.00 C ATOM 1403 O LEU A 95 10.457 -4.909 -8.354 1.00 0.00 O ATOM 1404 CB LEU A 95 8.148 -5.603 -6.115 1.00 0.00 C ATOM 1405 CG LEU A 95 9.124 -4.781 -5.284 1.00 0.00 C ATOM 1406 CD1 LEU A 95 8.810 -3.301 -5.428 1.00 0.00 C ATOM 1407 CD2 LEU A 95 9.068 -5.209 -3.825 1.00 0.00 C ATOM 0 H LEU A 95 6.615 -6.717 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 95 8.057 -4.320 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.135 -5.384 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.329 -6.659 -5.916 1.00 0.00 H new ATOM 0 HG LEU A 95 10.136 -4.956 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.513 -2.720 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.897 -3.011 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.794 -3.109 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.771 -4.613 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.059 -5.058 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.333 -6.263 -3.745 1.00 0.00 H new ATOM 1419 N GLN A 96 9.802 -7.069 -8.352 1.00 0.00 N ATOM 1420 CA GLN A 96 11.075 -7.581 -8.858 1.00 0.00 C ATOM 1421 C GLN A 96 11.372 -7.024 -10.246 1.00 0.00 C ATOM 1422 O GLN A 96 12.522 -6.720 -10.561 1.00 0.00 O ATOM 1423 CB GLN A 96 11.067 -9.111 -8.899 1.00 0.00 C ATOM 1424 CG GLN A 96 11.104 -9.761 -7.524 1.00 0.00 C ATOM 1425 CD GLN A 96 10.886 -11.261 -7.580 1.00 0.00 C ATOM 1426 OE1 GLN A 96 10.195 -11.768 -8.463 1.00 0.00 O ATOM 1427 NE2 GLN A 96 11.478 -11.982 -6.637 1.00 0.00 N ATOM 0 H GLN A 96 9.102 -7.789 -8.173 1.00 0.00 H new ATOM 0 HA GLN A 96 11.860 -7.253 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.174 -9.447 -9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.925 -9.454 -9.476 1.00 0.00 H new ATOM 0 HG2 GLN A 96 12.066 -9.555 -7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.338 -9.310 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.043 -11.522 -5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.369 -12.996 -6.626 1.00 0.00 H new ATOM 1436 N GLU A 97 10.335 -6.909 -11.079 1.00 0.00 N ATOM 1437 CA GLU A 97 10.500 -6.374 -12.427 1.00 0.00 C ATOM 1438 C GLU A 97 10.982 -4.924 -12.357 1.00 0.00 C ATOM 1439 O GLU A 97 11.847 -4.509 -13.130 1.00 0.00 O ATOM 1440 CB GLU A 97 9.178 -6.464 -13.210 1.00 0.00 C ATOM 1441 CG GLU A 97 9.312 -6.115 -14.688 1.00 0.00 C ATOM 1442 CD GLU A 97 8.023 -6.325 -15.462 1.00 0.00 C ATOM 1443 OE1 GLU A 97 7.017 -6.732 -14.845 1.00 0.00 O ATOM 1444 OE2 GLU A 97 8.023 -6.080 -16.686 1.00 0.00 O ATOM 0 H GLU A 97 9.380 -7.178 -10.844 1.00 0.00 H new ATOM 0 HA GLU A 97 11.248 -6.969 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.782 -7.475 -13.120 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.450 -5.794 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.623 -5.075 -14.784 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.100 -6.725 -15.131 1.00 0.00 H new ATOM 1451 N MET A 98 10.395 -4.153 -11.439 1.00 0.00 N ATOM 1452 CA MET A 98 10.776 -2.752 -11.252 1.00 0.00 C ATOM 1453 C MET A 98 12.166 -2.631 -10.623 1.00 0.00 C ATOM 1454 O MET A 98 12.957 -1.771 -11.009 1.00 0.00 O ATOM 1455 CB MET A 98 9.728 -2.015 -10.412 1.00 0.00 C ATOM 1456 CG MET A 98 9.987 -0.521 -10.294 1.00 0.00 C ATOM 1457 SD MET A 98 10.152 0.282 -11.901 1.00 0.00 S ATOM 1458 CE MET A 98 8.482 0.143 -12.528 1.00 0.00 C ATOM 0 H MET A 98 9.655 -4.475 -10.815 1.00 0.00 H new ATOM 0 HA MET A 98 10.819 -2.283 -12.235 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.744 -2.171 -10.854 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.702 -2.451 -9.413 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.170 -0.057 -9.742 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.896 -0.358 -9.715 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.294 0.944 -13.243 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.358 -0.821 -13.022 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.775 0.221 -11.702 1.00 0.00 H new ATOM 1468 N GLY A 99 12.461 -3.501 -9.659 1.00 0.00 N ATOM 1469 CA GLY A 99 13.760 -3.473 -9.005 1.00 0.00 C ATOM 1470 C GLY A 99 13.864 -2.431 -7.905 1.00 0.00 C ATOM 1471 O GLY A 99 14.893 -1.770 -7.769 1.00 0.00 O ATOM 0 H GLY A 99 11.826 -4.223 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.966 -4.457 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.530 -3.279 -9.752 1.00 0.00 H new ATOM 1475 N HIS A 100 12.801 -2.277 -7.115 1.00 0.00 N ATOM 1476 CA HIS A 100 12.801 -1.303 -6.024 1.00 0.00 C ATOM 1477 C HIS A 100 13.629 -1.814 -4.841 1.00 0.00 C ATOM 1478 O HIS A 100 13.257 -2.775 -4.165 1.00 0.00 O ATOM 1479 CB HIS A 100 11.365 -0.998 -5.583 1.00 0.00 C ATOM 1480 CG HIS A 100 11.247 0.125 -4.595 1.00 0.00 C ATOM 1481 ND1 HIS A 100 10.067 0.486 -3.989 1.00 0.00 N ATOM 1482 CD2 HIS A 100 12.194 0.959 -4.091 1.00 0.00 C ATOM 1483 CE1 HIS A 100 10.324 1.501 -3.155 1.00 0.00 C ATOM 1484 NE2 HIS A 100 11.601 1.826 -3.181 1.00 0.00 N ATOM 0 H HIS A 100 11.936 -2.809 -7.209 1.00 0.00 H new ATOM 0 HA HIS A 100 13.257 -0.381 -6.386 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.771 -0.755 -6.464 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.933 -1.898 -5.145 1.00 0.00 H new ATOM 0 HD1 HIS A 100 9.156 0.056 -4.147 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.241 0.950 -4.356 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.582 1.990 -2.541 1.00 0.00 H new ATOM 1491 N ARG A 101 14.754 -1.145 -4.611 1.00 0.00 N ATOM 1492 CA ARG A 101 15.688 -1.492 -3.540 1.00 0.00 C ATOM 1493 C ARG A 101 15.113 -1.307 -2.131 1.00 0.00 C ATOM 1494 O ARG A 101 15.318 -2.151 -1.258 1.00 0.00 O ATOM 1495 CB ARG A 101 16.937 -0.627 -3.692 1.00 0.00 C ATOM 1496 CG ARG A 101 17.789 -0.996 -4.896 1.00 0.00 C ATOM 1497 CD ARG A 101 19.011 -0.099 -5.011 1.00 0.00 C ATOM 1498 NE ARG A 101 19.841 -0.454 -6.159 1.00 0.00 N ATOM 1499 CZ ARG A 101 20.976 0.168 -6.470 1.00 0.00 C ATOM 1500 NH1 ARG A 101 21.673 -0.215 -7.534 1.00 0.00 N ATOM 1501 NH2 ARG A 101 21.411 1.172 -5.721 1.00 0.00 N ATOM 0 H ARG A 101 15.047 -0.341 -5.165 1.00 0.00 H new ATOM 0 HA ARG A 101 15.913 -2.554 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.637 0.418 -3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.541 -0.714 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.106 -2.036 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.191 -0.916 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.692 0.939 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.603 -0.173 -4.099 1.00 0.00 H new ATOM 0 HE ARG A 101 19.534 -1.222 -6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.338 -0.986 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.543 0.262 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.876 1.469 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.281 1.647 -5.961 1.00 0.00 H new ATOM 1515 N ARG A 102 14.409 -0.204 -1.902 1.00 0.00 N ATOM 1516 CA ARG A 102 13.836 0.083 -0.585 1.00 0.00 C ATOM 1517 C ARG A 102 12.684 -0.860 -0.235 1.00 0.00 C ATOM 1518 O ARG A 102 12.543 -1.283 0.915 1.00 0.00 O ATOM 1519 CB ARG A 102 13.365 1.538 -0.503 1.00 0.00 C ATOM 1520 CG ARG A 102 12.801 1.923 0.861 1.00 0.00 C ATOM 1521 CD ARG A 102 13.870 1.874 1.945 1.00 0.00 C ATOM 1522 NE ARG A 102 14.940 2.842 1.710 1.00 0.00 N ATOM 1523 CZ ARG A 102 16.065 2.883 2.418 1.00 0.00 C ATOM 1524 NH1 ARG A 102 16.986 3.799 2.146 1.00 0.00 N ATOM 1525 NH2 ARG A 102 16.267 2.009 3.396 1.00 0.00 N ATOM 0 H ARG A 102 14.220 0.507 -2.608 1.00 0.00 H new ATOM 0 HA ARG A 102 14.629 -0.080 0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 102 14.202 2.195 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 102 12.602 1.707 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 102 12.379 2.927 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.986 1.248 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.411 2.070 2.914 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.294 0.871 1.990 1.00 0.00 H new ATOM 0 HE ARG A 102 14.817 3.524 0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.831 4.471 1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.849 3.831 2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.559 1.305 3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 102 17.130 2.041 3.938 1.00 0.00 H new ATOM 1539 N ALA A 103 11.862 -1.183 -1.229 1.00 0.00 N ATOM 1540 CA ALA A 103 10.701 -2.043 -1.014 1.00 0.00 C ATOM 1541 C ALA A 103 11.079 -3.423 -0.494 1.00 0.00 C ATOM 1542 O ALA A 103 10.422 -3.945 0.404 1.00 0.00 O ATOM 1543 CB ALA A 103 9.900 -2.181 -2.290 1.00 0.00 C ATOM 0 H ALA A 103 11.977 -0.863 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 103 10.095 -1.560 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.039 -2.825 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.557 -1.198 -2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.526 -2.620 -3.067 1.00 0.00 H new ATOM 1549 N ILE A 104 12.136 -4.014 -1.043 1.00 0.00 N ATOM 1550 CA ILE A 104 12.561 -5.337 -0.599 1.00 0.00 C ATOM 1551 C ILE A 104 13.163 -5.273 0.806 1.00 0.00 C ATOM 1552 O ILE A 104 13.132 -6.252 1.550 1.00 0.00 O ATOM 1553 CB ILE A 104 13.563 -5.993 -1.578 1.00 0.00 C ATOM 1554 CG1 ILE A 104 14.833 -5.149 -1.721 1.00 0.00 C ATOM 1555 CG2 ILE A 104 12.906 -6.205 -2.938 1.00 0.00 C ATOM 1556 CD1 ILE A 104 15.943 -5.842 -2.482 1.00 0.00 C ATOM 0 H ILE A 104 12.706 -3.606 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 104 11.668 -5.962 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 104 13.852 -6.962 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 104 14.584 -4.217 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 104 15.196 -4.884 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 104 13.620 -6.667 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 104 12.039 -6.855 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.589 -5.244 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.809 -5.183 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 104 16.221 -6.760 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.599 -6.083 -3.488 1.00 0.00 H new ATOM 1568 N HIS A 105 13.720 -4.116 1.154 1.00 0.00 N ATOM 1569 CA HIS A 105 14.307 -3.909 2.471 1.00 0.00 C ATOM 1570 C HIS A 105 13.244 -4.008 3.575 1.00 0.00 C ATOM 1571 O HIS A 105 13.415 -4.737 4.552 1.00 0.00 O ATOM 1572 CB HIS A 105 15.007 -2.543 2.521 1.00 0.00 C ATOM 1573 CG HIS A 105 15.648 -2.222 3.837 1.00 0.00 C ATOM 1574 ND1 HIS A 105 16.798 -2.824 4.300 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.279 -1.334 4.797 1.00 0.00 C ATOM 1576 CE1 HIS A 105 17.086 -2.296 5.495 1.00 0.00 C ATOM 1577 NE2 HIS A 105 16.196 -1.386 5.843 1.00 0.00 N ATOM 0 H HIS A 105 13.776 -3.305 0.538 1.00 0.00 H new ATOM 0 HA HIS A 105 15.042 -4.694 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.769 -2.511 1.742 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.279 -1.767 2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 105 14.413 -0.691 4.755 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.937 -2.578 6.097 1.00 0.00 H new ATOM 0 HE2 HIS A 105 16.183 -0.835 6.701 1.00 0.00 H new ATOM 1584 N LEU A 106 12.133 -3.283 3.399 1.00 0.00 N ATOM 1585 CA LEU A 106 11.058 -3.277 4.396 1.00 0.00 C ATOM 1586 C LEU A 106 10.094 -4.458 4.236 1.00 0.00 C ATOM 1587 O LEU A 106 9.415 -4.839 5.194 1.00 0.00 O ATOM 1588 CB LEU A 106 10.283 -1.953 4.355 1.00 0.00 C ATOM 1589 CG LEU A 106 9.559 -1.597 5.660 1.00 0.00 C ATOM 1590 CD1 LEU A 106 10.564 -1.319 6.768 1.00 0.00 C ATOM 1591 CD2 LEU A 106 8.642 -0.402 5.466 1.00 0.00 C ATOM 0 H LEU A 106 11.956 -2.698 2.583 1.00 0.00 H new ATOM 0 HA LEU A 106 11.538 -3.383 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.976 -1.149 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.550 -2.001 3.549 1.00 0.00 H new ATOM 0 HG LEU A 106 8.947 -2.451 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.033 -1.068 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.177 -2.205 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.203 -0.485 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.141 -0.171 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.229 0.459 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.897 -0.635 4.706 1.00 0.00 H new ATOM 1603 N ILE A 107 10.028 -5.034 3.035 1.00 0.00 N ATOM 1604 CA ILE A 107 9.127 -6.162 2.761 1.00 0.00 C ATOM 1605 C ILE A 107 9.477 -7.375 3.634 1.00 0.00 C ATOM 1606 O ILE A 107 8.641 -8.249 3.875 1.00 0.00 O ATOM 1607 CB ILE A 107 9.144 -6.554 1.258 1.00 0.00 C ATOM 1608 CG1 ILE A 107 7.826 -7.210 0.851 1.00 0.00 C ATOM 1609 CG2 ILE A 107 10.307 -7.487 0.939 1.00 0.00 C ATOM 1610 CD1 ILE A 107 7.630 -7.277 -0.651 1.00 0.00 C ATOM 0 H ILE A 107 10.587 -4.740 2.234 1.00 0.00 H new ATOM 0 HA ILE A 107 8.118 -5.836 3.013 1.00 0.00 H new ATOM 0 HB ILE A 107 9.273 -5.636 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.788 -8.219 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.999 -6.655 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.289 -7.742 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 107 11.248 -6.990 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.217 -8.397 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.675 -7.754 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.636 -6.268 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.437 -7.857 -1.098 1.00 0.00 H new ATOM 1622 N THR A 108 10.719 -7.397 4.114 1.00 0.00 N ATOM 1623 CA THR A 108 11.223 -8.466 4.971 1.00 0.00 C ATOM 1624 C THR A 108 10.440 -8.543 6.290 1.00 0.00 C ATOM 1625 O THR A 108 10.365 -9.598 6.918 1.00 0.00 O ATOM 1626 CB THR A 108 12.727 -8.259 5.271 1.00 0.00 C ATOM 1627 OG1 THR A 108 13.455 -8.154 4.043 1.00 0.00 O ATOM 1628 CG2 THR A 108 13.297 -9.410 6.088 1.00 0.00 C ATOM 0 H THR A 108 11.407 -6.670 3.918 1.00 0.00 H new ATOM 0 HA THR A 108 11.088 -9.405 4.435 1.00 0.00 H new ATOM 0 HB THR A 108 12.827 -7.341 5.850 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.406 -8.021 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.355 -9.231 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 108 12.763 -9.483 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 108 13.181 -10.342 5.534 1.00 0.00 H new ATOM 1636 N ASN A 109 9.850 -7.418 6.697 1.00 0.00 N ATOM 1637 CA ASN A 109 9.100 -7.351 7.957 1.00 0.00 C ATOM 1638 C ASN A 109 7.783 -8.131 7.909 1.00 0.00 C ATOM 1639 O ASN A 109 7.169 -8.368 8.950 1.00 0.00 O ATOM 1640 CB ASN A 109 8.820 -5.896 8.346 1.00 0.00 C ATOM 1641 CG ASN A 109 10.060 -5.176 8.840 1.00 0.00 C ATOM 1642 OD1 ASN A 109 11.065 -5.800 9.177 1.00 0.00 O ATOM 1643 ND2 ASN A 109 9.992 -3.853 8.898 1.00 0.00 N ATOM 0 H ASN A 109 9.875 -6.542 6.176 1.00 0.00 H new ATOM 0 HA ASN A 109 9.731 -7.820 8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 109 8.415 -5.365 7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 109 8.056 -5.872 9.123 1.00 0.00 H new ATOM 0 HD21 ASN A 109 10.792 -3.315 9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.140 -3.373 8.609 1.00 0.00 H new ATOM 1650 N TYR A 110 7.333 -8.513 6.715 1.00 0.00 N ATOM 1651 CA TYR A 110 6.093 -9.279 6.587 1.00 0.00 C ATOM 1652 C TYR A 110 6.278 -10.697 7.131 1.00 0.00 C ATOM 1653 O TYR A 110 7.204 -11.406 6.738 1.00 0.00 O ATOM 1654 CB TYR A 110 5.631 -9.327 5.125 1.00 0.00 C ATOM 1655 CG TYR A 110 4.481 -10.284 4.870 1.00 0.00 C ATOM 1656 CD1 TYR A 110 3.172 -9.961 5.223 1.00 0.00 C ATOM 1657 CD2 TYR A 110 4.711 -11.522 4.279 1.00 0.00 C ATOM 1658 CE1 TYR A 110 2.136 -10.845 4.992 1.00 0.00 C ATOM 1659 CE2 TYR A 110 3.677 -12.406 4.047 1.00 0.00 C ATOM 1660 CZ TYR A 110 2.394 -12.063 4.404 1.00 0.00 C ATOM 1661 OH TYR A 110 1.362 -12.944 4.177 1.00 0.00 O ATOM 0 H TYR A 110 7.801 -8.308 5.832 1.00 0.00 H new ATOM 0 HA TYR A 110 5.324 -8.778 7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.331 -8.325 4.817 1.00 0.00 H new ATOM 0 HB3 TYR A 110 6.475 -9.614 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.965 -9.006 5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.717 -11.796 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.127 -10.582 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.875 -13.363 3.587 1.00 0.00 H new ATOM 0 HH TYR A 110 1.712 -13.756 3.755 1.00 0.00 H new