USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 SER OG : rot -110:sc= 0 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -145:sc= -0.774 (180deg=-2.4!) USER MOD Set 2.1: A 65 CYS SG : rot -116:sc= 1.8 USER MOD Set 2.2: A 70 THR OG1 : rot -173:sc= -0.651 USER MOD Set 3.1: A 61 THR OG1 : rot 97:sc= 0.031 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -0.964 K(o=-0.93,f=-15!) USER MOD Set 4.1: A 44 LYS NZ :NH3+ -154:sc= 0.541 (180deg=-0.229) USER MOD Set 4.2: A 93 HIS : no HD1:sc= -2.09! C(o=-1.5!,f=-9.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.012 K(o=-0.012,f=-2.6!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -2.38! C(o=-3.4!,f=-2.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -131:sc= -0.136 USER MOD Single : A 60 SER OG : rot -50:sc= -1.21 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.25) USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 0.268 (180deg=0.184) USER MOD Single : A 92 CYS SG : rot 89:sc= -0.322 USER MOD Single : A 95 MET CE :methyl 137:sc= -1.26 (180deg=-2.02!) USER MOD Single : A 101 SER OG : rot -88:sc= 1.87 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 122:sc= 0.292 USER MOD Single : A 106 MET CE :methyl -132:sc= -0.368 (180deg=-1.88!) USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 6.190 18.196 -0.521 1.00 0.00 N ATOM 228 CA GLU A 18 7.163 17.121 -0.670 1.00 0.00 C ATOM 229 C GLU A 18 6.480 15.757 -0.619 1.00 0.00 C ATOM 230 O GLU A 18 6.899 14.814 -1.292 1.00 0.00 O ATOM 231 CB GLU A 18 8.228 17.211 0.425 1.00 0.00 C ATOM 232 CG GLU A 18 9.541 16.543 0.054 1.00 0.00 C ATOM 233 CD GLU A 18 10.096 17.040 -1.267 1.00 0.00 C ATOM 234 OE1 GLU A 18 10.599 18.182 -1.307 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.027 16.286 -2.260 1.00 0.00 O ATOM 0 HA GLU A 18 7.642 17.232 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.416 18.260 0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.841 16.752 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.272 16.724 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.393 15.465 -0.001 1.00 0.00 H new ATOM 242 N LEU A 19 5.426 15.660 0.183 1.00 0.00 N ATOM 243 CA LEU A 19 4.684 14.412 0.324 1.00 0.00 C ATOM 244 C LEU A 19 4.109 13.967 -1.017 1.00 0.00 C ATOM 245 O LEU A 19 4.318 12.834 -1.448 1.00 0.00 O ATOM 246 CB LEU A 19 3.557 14.578 1.345 1.00 0.00 C ATOM 247 CG LEU A 19 3.936 14.343 2.807 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.762 13.074 2.947 1.00 0.00 C ATOM 249 CD2 LEU A 19 4.696 15.540 3.360 1.00 0.00 C ATOM 0 H LEU A 19 5.066 16.431 0.746 1.00 0.00 H new ATOM 0 HA LEU A 19 5.374 13.645 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.156 15.587 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.753 13.890 1.084 1.00 0.00 H new ATOM 0 HG LEU A 19 3.020 14.221 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.022 12.923 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.183 12.222 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.673 13.166 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.958 15.355 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.605 15.694 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.070 16.430 3.296 1.00 0.00 H new ATOM 261 N GLY A 20 3.384 14.868 -1.673 1.00 0.00 N ATOM 262 CA GLY A 20 2.792 14.550 -2.960 1.00 0.00 C ATOM 263 C GLY A 20 3.827 14.139 -3.988 1.00 0.00 C ATOM 264 O GLY A 20 3.493 13.539 -5.010 1.00 0.00 O ATOM 0 H GLY A 20 3.196 15.812 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.069 13.744 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.243 15.417 -3.328 1.00 0.00 H new ATOM 268 N LYS A 21 5.087 14.463 -3.720 1.00 0.00 N ATOM 269 CA LYS A 21 6.175 14.125 -4.629 1.00 0.00 C ATOM 270 C LYS A 21 6.715 12.728 -4.337 1.00 0.00 C ATOM 271 O LYS A 21 7.514 12.189 -5.102 1.00 0.00 O ATOM 272 CB LYS A 21 7.303 15.153 -4.514 1.00 0.00 C ATOM 273 CG LYS A 21 6.850 16.582 -4.760 1.00 0.00 C ATOM 274 CD LYS A 21 6.711 16.875 -6.244 1.00 0.00 C ATOM 275 CE LYS A 21 6.031 18.214 -6.487 1.00 0.00 C ATOM 276 NZ LYS A 21 5.877 18.503 -7.940 1.00 0.00 N ATOM 0 H LYS A 21 5.380 14.960 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 21 5.782 14.139 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.744 15.087 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.087 14.901 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.895 16.752 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.567 17.273 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.697 16.877 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.135 16.082 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.051 18.215 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.614 19.007 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.410 19.424 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.814 18.527 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.300 17.760 -8.382 1.00 0.00 H new ATOM 290 N ILE A 22 6.271 12.148 -3.226 1.00 0.00 N ATOM 291 CA ILE A 22 6.708 10.814 -2.835 1.00 0.00 C ATOM 292 C ILE A 22 5.974 9.740 -3.631 1.00 0.00 C ATOM 293 O ILE A 22 6.593 8.937 -4.330 1.00 0.00 O ATOM 294 CB ILE A 22 6.485 10.566 -1.332 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.086 11.708 -0.510 1.00 0.00 C ATOM 296 CG2 ILE A 22 7.090 9.233 -0.919 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.937 11.521 0.984 1.00 0.00 C ATOM 0 H ILE A 22 5.609 12.581 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 22 7.775 10.756 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 22 5.413 10.530 -1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.145 11.801 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.609 12.644 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.924 9.073 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.619 8.429 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.161 9.241 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.386 12.368 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.879 11.458 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.439 10.602 1.288 1.00 0.00 H new ATOM 309 N LEU A 23 4.650 9.732 -3.521 1.00 0.00 N ATOM 310 CA LEU A 23 3.829 8.758 -4.231 1.00 0.00 C ATOM 311 C LEU A 23 3.114 9.406 -5.412 1.00 0.00 C ATOM 312 O LEU A 23 1.952 9.106 -5.686 1.00 0.00 O ATOM 313 CB LEU A 23 2.806 8.134 -3.281 1.00 0.00 C ATOM 314 CG LEU A 23 3.361 7.154 -2.246 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.229 6.500 -1.469 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.225 6.099 -2.921 1.00 0.00 C ATOM 0 H LEU A 23 4.122 10.389 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 23 4.486 7.976 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.293 8.938 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.055 7.615 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 23 3.982 7.710 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.643 5.806 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.650 7.267 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.581 5.957 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.612 5.410 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.626 5.547 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.057 6.583 -3.432 1.00 0.00 H new ATOM 328 N GLN A 24 3.817 10.294 -6.108 1.00 0.00 N ATOM 329 CA GLN A 24 3.248 10.983 -7.260 1.00 0.00 C ATOM 330 C GLN A 24 2.972 10.005 -8.398 1.00 0.00 C ATOM 331 O GLN A 24 3.887 9.373 -8.922 1.00 0.00 O ATOM 332 CB GLN A 24 4.195 12.086 -7.739 1.00 0.00 C ATOM 333 CG GLN A 24 3.717 12.794 -8.997 1.00 0.00 C ATOM 334 CD GLN A 24 2.728 13.904 -8.702 1.00 0.00 C ATOM 335 OE1 GLN A 24 1.860 13.764 -7.839 1.00 0.00 O ATOM 336 NE2 GLN A 24 2.853 15.015 -9.418 1.00 0.00 N ATOM 0 H GLN A 24 4.780 10.553 -5.894 1.00 0.00 H new ATOM 0 HA GLN A 24 2.303 11.431 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.317 12.820 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.178 11.654 -7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.576 13.209 -9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.253 12.067 -9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.587 15.088 -10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.215 15.796 -9.263 1.00 0.00 H new ATOM 345 N GLY A 25 1.702 9.886 -8.773 1.00 0.00 N ATOM 346 CA GLY A 25 1.327 8.983 -9.846 1.00 0.00 C ATOM 347 C GLY A 25 1.068 7.573 -9.352 1.00 0.00 C ATOM 348 O GLY A 25 1.011 6.632 -10.143 1.00 0.00 O ATOM 0 H GLY A 25 0.926 10.398 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.432 9.362 -10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.120 8.963 -10.594 1.00 0.00 H new ATOM 352 N VAL A 26 0.911 7.427 -8.040 1.00 0.00 N ATOM 353 CA VAL A 26 0.657 6.121 -7.442 1.00 0.00 C ATOM 354 C VAL A 26 -0.776 6.020 -6.933 1.00 0.00 C ATOM 355 O VAL A 26 -1.374 7.016 -6.527 1.00 0.00 O ATOM 356 CB VAL A 26 1.625 5.840 -6.277 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.314 4.495 -5.638 1.00 0.00 C ATOM 358 CG2 VAL A 26 3.067 5.890 -6.759 1.00 0.00 C ATOM 0 H VAL A 26 0.955 8.196 -7.371 1.00 0.00 H new ATOM 0 HA VAL A 26 0.815 5.378 -8.224 1.00 0.00 H new ATOM 0 HB VAL A 26 1.492 6.614 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.008 4.313 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.293 4.501 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.418 3.706 -6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.737 5.689 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.218 5.138 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.281 6.878 -7.166 1.00 0.00 H new ATOM 368 N VAL A 27 -1.323 4.809 -6.958 1.00 0.00 N ATOM 369 CA VAL A 27 -2.686 4.576 -6.497 1.00 0.00 C ATOM 370 C VAL A 27 -2.735 3.447 -5.473 1.00 0.00 C ATOM 371 O VAL A 27 -2.222 2.354 -5.713 1.00 0.00 O ATOM 372 CB VAL A 27 -3.624 4.231 -7.670 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.066 4.146 -7.194 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.481 5.257 -8.784 1.00 0.00 C ATOM 0 H VAL A 27 -0.843 3.974 -7.293 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.024 5.501 -6.030 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.340 3.256 -8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.713 3.902 -8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.153 3.371 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.367 5.105 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.150 4.999 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.738 6.245 -8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.452 5.263 -9.143 1.00 0.00 H new ATOM 384 N VAL A 28 -3.358 3.719 -4.330 1.00 0.00 N ATOM 385 CA VAL A 28 -3.476 2.726 -3.269 1.00 0.00 C ATOM 386 C VAL A 28 -4.934 2.362 -3.017 1.00 0.00 C ATOM 387 O VAL A 28 -5.845 3.089 -3.415 1.00 0.00 O ATOM 388 CB VAL A 28 -2.850 3.231 -1.956 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.356 3.457 -2.128 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.541 4.505 -1.493 1.00 0.00 C ATOM 0 H VAL A 28 -3.788 4.619 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.936 1.840 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.991 2.469 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.932 3.814 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.876 2.520 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.188 4.200 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.086 4.848 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.433 5.276 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.600 4.305 -1.327 1.00 0.00 H new ATOM 400 N VAL A 29 -5.150 1.230 -2.354 1.00 0.00 N ATOM 401 CA VAL A 29 -6.499 0.769 -2.047 1.00 0.00 C ATOM 402 C VAL A 29 -6.566 0.155 -0.653 1.00 0.00 C ATOM 403 O VAL A 29 -5.733 -0.677 -0.289 1.00 0.00 O ATOM 404 CB VAL A 29 -6.986 -0.267 -3.077 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.385 -0.752 -2.727 1.00 0.00 C ATOM 406 CG2 VAL A 29 -6.951 0.320 -4.480 1.00 0.00 C ATOM 0 H VAL A 29 -4.408 0.615 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.149 1.643 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.314 -1.124 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.712 -1.483 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.374 -1.214 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.073 0.093 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.298 -0.426 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.599 1.195 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.930 0.612 -4.727 1.00 0.00 H new ATOM 416 N LEU A 30 -7.561 0.569 0.123 1.00 0.00 N ATOM 417 CA LEU A 30 -7.738 0.059 1.478 1.00 0.00 C ATOM 418 C LEU A 30 -8.600 -1.200 1.478 1.00 0.00 C ATOM 419 O LEU A 30 -9.746 -1.179 1.029 1.00 0.00 O ATOM 420 CB LEU A 30 -8.376 1.127 2.367 1.00 0.00 C ATOM 421 CG LEU A 30 -7.533 2.376 2.626 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.301 3.371 3.482 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.216 2.003 3.290 1.00 0.00 C ATOM 0 H LEU A 30 -8.258 1.257 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.755 -0.196 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.317 1.436 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.621 0.673 3.327 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.313 2.847 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.685 4.253 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.216 3.663 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.553 2.911 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.629 2.905 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.415 1.508 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.659 1.329 2.639 1.00 0.00 H new ATOM 435 N SER A 31 -8.041 -2.294 1.986 1.00 0.00 N ATOM 436 CA SER A 31 -8.758 -3.562 2.043 1.00 0.00 C ATOM 437 C SER A 31 -8.326 -4.376 3.259 1.00 0.00 C ATOM 438 O SER A 31 -7.235 -4.945 3.284 1.00 0.00 O ATOM 439 CB SER A 31 -8.517 -4.367 0.764 1.00 0.00 C ATOM 440 OG SER A 31 -9.171 -5.622 0.821 1.00 0.00 O ATOM 0 H SER A 31 -7.094 -2.327 2.364 1.00 0.00 H new ATOM 0 HA SER A 31 -9.823 -3.345 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.878 -3.804 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.447 -4.517 0.621 1.00 0.00 H new ATOM 0 HG SER A 31 -8.504 -6.335 0.900 1.00 0.00 H new ATOM 446 N GLY A 32 -9.191 -4.427 4.268 1.00 0.00 N ATOM 447 CA GLY A 32 -8.881 -5.173 5.473 1.00 0.00 C ATOM 448 C GLY A 32 -8.598 -4.270 6.657 1.00 0.00 C ATOM 449 O GLY A 32 -7.972 -4.689 7.631 1.00 0.00 O ATOM 0 H GLY A 32 -10.100 -3.965 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.715 -5.832 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.015 -5.809 5.290 1.00 0.00 H new ATOM 453 N PHE A 33 -9.060 -3.026 6.575 1.00 0.00 N ATOM 454 CA PHE A 33 -8.850 -2.060 7.647 1.00 0.00 C ATOM 455 C PHE A 33 -10.183 -1.582 8.215 1.00 0.00 C ATOM 456 O PHE A 33 -11.222 -1.691 7.564 1.00 0.00 O ATOM 457 CB PHE A 33 -8.043 -0.866 7.135 1.00 0.00 C ATOM 458 CG PHE A 33 -6.750 -1.254 6.477 1.00 0.00 C ATOM 459 CD1 PHE A 33 -5.702 -1.763 7.226 1.00 0.00 C ATOM 460 CD2 PHE A 33 -6.582 -1.108 5.109 1.00 0.00 C ATOM 461 CE1 PHE A 33 -4.510 -2.122 6.624 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.393 -1.465 4.502 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.356 -1.971 5.260 1.00 0.00 C ATOM 0 H PHE A 33 -9.582 -2.664 5.777 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.291 -2.552 8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.650 -0.306 6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.831 -0.197 7.969 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.817 -1.881 8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.389 -0.711 4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.701 -2.520 7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.275 -1.348 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.426 -2.248 4.787 1.00 0.00 H new ATOM 473 N GLN A 34 -10.144 -1.053 9.434 1.00 0.00 N ATOM 474 CA GLN A 34 -11.348 -0.559 10.091 1.00 0.00 C ATOM 475 C GLN A 34 -11.094 0.794 10.748 1.00 0.00 C ATOM 476 O GLN A 34 -10.132 0.961 11.496 1.00 0.00 O ATOM 477 CB GLN A 34 -11.832 -1.564 11.138 1.00 0.00 C ATOM 478 CG GLN A 34 -12.344 -2.865 10.541 1.00 0.00 C ATOM 479 CD GLN A 34 -12.165 -4.046 11.475 1.00 0.00 C ATOM 480 OE1 GLN A 34 -11.113 -4.685 11.492 1.00 0.00 O ATOM 481 NE2 GLN A 34 -13.195 -4.343 12.259 1.00 0.00 N ATOM 0 H GLN A 34 -9.292 -0.956 9.986 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.120 -0.435 9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.013 -1.785 11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.626 -1.107 11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.401 -2.757 10.296 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.819 -3.063 9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.049 -3.787 12.212 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.132 -5.128 12.908 1.00 0.00 H new ATOM 490 N ASN A 35 -11.964 1.757 10.461 1.00 0.00 N ATOM 491 CA ASN A 35 -11.833 3.097 11.023 1.00 0.00 C ATOM 492 C ASN A 35 -11.799 3.046 12.547 1.00 0.00 C ATOM 493 O ASN A 35 -12.218 2.070 13.171 1.00 0.00 O ATOM 494 CB ASN A 35 -12.990 3.983 10.557 1.00 0.00 C ATOM 495 CG ASN A 35 -14.250 3.188 10.275 1.00 0.00 C ATOM 496 OD1 ASN A 35 -15.073 3.688 9.359 1.00 0.00 O flip ATOM 497 ND2 ASN A 35 -14.481 2.136 10.872 1.00 0.00 N flip ATOM 0 H ASN A 35 -12.766 1.635 9.843 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.893 3.522 10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.200 4.733 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.693 4.520 9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.821 1.789 11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.332 1.612 10.671 1.00 0.00 H new ATOM 504 N PRO A 36 -11.289 4.123 13.164 1.00 0.00 N ATOM 505 CA PRO A 36 -10.787 5.290 12.433 1.00 0.00 C ATOM 506 C PRO A 36 -9.497 4.990 11.677 1.00 0.00 C ATOM 507 O PRO A 36 -8.975 5.841 10.957 1.00 0.00 O ATOM 508 CB PRO A 36 -10.533 6.318 13.538 1.00 0.00 C ATOM 509 CG PRO A 36 -10.299 5.506 14.764 1.00 0.00 C ATOM 510 CD PRO A 36 -11.163 4.283 14.622 1.00 0.00 C ATOM 0 HA PRO A 36 -11.490 5.627 11.671 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.671 6.943 13.307 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.386 6.985 13.662 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.248 5.233 14.856 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.562 6.068 15.660 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.703 3.410 15.084 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.135 4.420 15.097 1.00 0.00 H new ATOM 518 N PHE A 37 -8.988 3.774 11.845 1.00 0.00 N ATOM 519 CA PHE A 37 -7.758 3.362 11.178 1.00 0.00 C ATOM 520 C PHE A 37 -7.813 3.683 9.688 1.00 0.00 C ATOM 521 O PHE A 37 -6.994 4.447 9.176 1.00 0.00 O ATOM 522 CB PHE A 37 -7.521 1.864 11.380 1.00 0.00 C ATOM 523 CG PHE A 37 -6.069 1.478 11.359 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.155 2.126 12.175 1.00 0.00 C ATOM 525 CD2 PHE A 37 -5.619 0.468 10.525 1.00 0.00 C ATOM 526 CE1 PHE A 37 -3.819 1.774 12.157 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.284 0.111 10.503 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.383 0.764 11.321 1.00 0.00 C ATOM 0 H PHE A 37 -9.408 3.057 12.437 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.931 3.917 11.621 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.955 1.561 12.333 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.046 1.313 10.600 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.491 2.915 12.832 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.320 -0.047 9.884 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.116 2.288 12.796 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.946 -0.678 9.847 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.340 0.486 11.307 1.00 0.00 H new ATOM 538 N ARG A 38 -8.783 3.095 8.997 1.00 0.00 N ATOM 539 CA ARG A 38 -8.945 3.316 7.565 1.00 0.00 C ATOM 540 C ARG A 38 -8.998 4.808 7.249 1.00 0.00 C ATOM 541 O ARG A 38 -8.366 5.274 6.301 1.00 0.00 O ATOM 542 CB ARG A 38 -10.217 2.632 7.062 1.00 0.00 C ATOM 543 CG ARG A 38 -11.450 3.519 7.119 1.00 0.00 C ATOM 544 CD ARG A 38 -12.708 2.749 6.748 1.00 0.00 C ATOM 545 NE ARG A 38 -13.895 3.600 6.765 1.00 0.00 N ATOM 546 CZ ARG A 38 -14.117 4.568 5.883 1.00 0.00 C ATOM 547 NH1 ARG A 38 -13.238 4.807 4.920 1.00 0.00 N ATOM 548 NH2 ARG A 38 -15.221 5.300 5.964 1.00 0.00 N ATOM 0 H ARG A 38 -9.470 2.461 9.406 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.083 2.884 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.062 2.306 6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.397 1.736 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.557 3.931 8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.325 4.362 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.588 2.314 5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.845 1.921 7.444 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.591 3.442 7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.388 4.247 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.412 5.551 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.900 5.119 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.391 6.043 5.286 1.00 0.00 H new ATOM 562 N SER A 39 -9.756 5.551 8.048 1.00 0.00 N ATOM 563 CA SER A 39 -9.896 6.989 7.851 1.00 0.00 C ATOM 564 C SER A 39 -8.545 7.688 7.977 1.00 0.00 C ATOM 565 O SER A 39 -8.296 8.700 7.323 1.00 0.00 O ATOM 566 CB SER A 39 -10.881 7.571 8.866 1.00 0.00 C ATOM 567 OG SER A 39 -11.533 8.716 8.345 1.00 0.00 O ATOM 0 H SER A 39 -10.283 5.181 8.839 1.00 0.00 H new ATOM 0 HA SER A 39 -10.281 7.158 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.621 6.817 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.351 7.835 9.781 1.00 0.00 H new ATOM 0 HG SER A 39 -12.158 9.068 9.012 1.00 0.00 H new ATOM 573 N GLU A 40 -7.678 7.139 8.822 1.00 0.00 N ATOM 574 CA GLU A 40 -6.354 7.710 9.035 1.00 0.00 C ATOM 575 C GLU A 40 -5.426 7.382 7.868 1.00 0.00 C ATOM 576 O GLU A 40 -4.764 8.264 7.319 1.00 0.00 O ATOM 577 CB GLU A 40 -5.752 7.188 10.341 1.00 0.00 C ATOM 578 CG GLU A 40 -4.344 7.693 10.607 1.00 0.00 C ATOM 579 CD GLU A 40 -4.286 9.199 10.775 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.194 9.906 9.750 1.00 0.00 O ATOM 581 OE2 GLU A 40 -4.331 9.669 11.931 1.00 0.00 O ATOM 0 H GLU A 40 -7.869 6.300 9.370 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.460 8.793 9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.396 7.480 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.739 6.098 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.955 7.216 11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.694 7.398 9.783 1.00 0.00 H new ATOM 588 N LEU A 41 -5.383 6.108 7.495 1.00 0.00 N ATOM 589 CA LEU A 41 -4.537 5.661 6.394 1.00 0.00 C ATOM 590 C LEU A 41 -4.802 6.482 5.136 1.00 0.00 C ATOM 591 O LEU A 41 -3.870 6.939 4.474 1.00 0.00 O ATOM 592 CB LEU A 41 -4.778 4.178 6.108 1.00 0.00 C ATOM 593 CG LEU A 41 -3.963 3.192 6.946 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.238 1.762 6.505 1.00 0.00 C ATOM 595 CD2 LEU A 41 -2.478 3.507 6.845 1.00 0.00 C ATOM 0 H LEU A 41 -5.924 5.366 7.939 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.497 5.804 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.836 3.966 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.565 3.992 5.055 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.265 3.293 7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.649 1.074 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.298 1.540 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.964 1.646 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.913 2.795 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.161 3.434 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.295 4.518 7.210 1.00 0.00 H new ATOM 607 N ARG A 42 -6.078 6.667 4.813 1.00 0.00 N ATOM 608 CA ARG A 42 -6.465 7.434 3.635 1.00 0.00 C ATOM 609 C ARG A 42 -5.863 8.836 3.678 1.00 0.00 C ATOM 610 O ARG A 42 -5.098 9.220 2.794 1.00 0.00 O ATOM 611 CB ARG A 42 -7.989 7.524 3.537 1.00 0.00 C ATOM 612 CG ARG A 42 -8.481 8.109 2.224 1.00 0.00 C ATOM 613 CD ARG A 42 -9.885 8.677 2.358 1.00 0.00 C ATOM 614 NE ARG A 42 -9.922 9.844 3.235 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.965 10.661 3.328 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.051 10.440 2.601 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.922 11.703 4.149 1.00 0.00 N ATOM 0 H ARG A 42 -6.861 6.296 5.351 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.081 6.919 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.412 6.527 3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.362 8.134 4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.800 8.894 1.896 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.472 7.337 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.260 8.952 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.551 7.908 2.749 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.102 10.043 3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.087 9.641 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.851 11.069 2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.087 11.877 4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.723 12.330 4.220 1.00 0.00 H new ATOM 631 N ASP A 43 -6.215 9.594 4.710 1.00 0.00 N ATOM 632 CA ASP A 43 -5.710 10.953 4.868 1.00 0.00 C ATOM 633 C ASP A 43 -4.219 11.018 4.551 1.00 0.00 C ATOM 634 O ASP A 43 -3.793 11.772 3.676 1.00 0.00 O ATOM 635 CB ASP A 43 -5.964 11.451 6.292 1.00 0.00 C ATOM 636 CG ASP A 43 -5.957 12.964 6.385 1.00 0.00 C ATOM 637 OD1 ASP A 43 -6.946 13.589 5.947 1.00 0.00 O ATOM 638 OD2 ASP A 43 -4.964 13.524 6.895 1.00 0.00 O ATOM 0 H ASP A 43 -6.848 9.291 5.450 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.241 11.596 4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.925 11.073 6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.202 11.045 6.957 1.00 0.00 H new ATOM 643 N LYS A 44 -3.431 10.225 5.269 1.00 0.00 N ATOM 644 CA LYS A 44 -1.988 10.192 5.064 1.00 0.00 C ATOM 645 C LYS A 44 -1.650 9.777 3.636 1.00 0.00 C ATOM 646 O LYS A 44 -0.780 10.368 2.997 1.00 0.00 O ATOM 647 CB LYS A 44 -1.334 9.227 6.056 1.00 0.00 C ATOM 648 CG LYS A 44 -1.276 9.761 7.476 1.00 0.00 C ATOM 649 CD LYS A 44 -0.603 8.775 8.416 1.00 0.00 C ATOM 650 CE LYS A 44 -0.554 9.307 9.840 1.00 0.00 C ATOM 651 NZ LYS A 44 0.215 10.579 9.931 1.00 0.00 N ATOM 0 H LYS A 44 -3.768 9.596 5.998 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.599 11.196 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.886 8.287 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.322 9.004 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.732 10.706 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.286 9.970 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.142 7.828 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.410 8.572 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.569 9.470 10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.099 8.560 10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.603 10.682 10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.994 10.564 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.414 11.381 9.724 1.00 0.00 H new ATOM 665 N ALA A 45 -2.344 8.758 3.141 1.00 0.00 N ATOM 666 CA ALA A 45 -2.120 8.267 1.787 1.00 0.00 C ATOM 667 C ALA A 45 -2.285 9.384 0.763 1.00 0.00 C ATOM 668 O ALA A 45 -1.622 9.392 -0.275 1.00 0.00 O ATOM 669 CB ALA A 45 -3.070 7.119 1.477 1.00 0.00 C ATOM 0 H ALA A 45 -3.066 8.256 3.657 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.095 7.902 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.891 6.763 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.900 6.306 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.100 7.465 1.564 1.00 0.00 H new ATOM 675 N LEU A 46 -3.173 10.326 1.061 1.00 0.00 N ATOM 676 CA LEU A 46 -3.427 11.449 0.165 1.00 0.00 C ATOM 677 C LEU A 46 -2.224 12.386 0.112 1.00 0.00 C ATOM 678 O LEU A 46 -1.851 12.873 -0.954 1.00 0.00 O ATOM 679 CB LEU A 46 -4.668 12.220 0.619 1.00 0.00 C ATOM 680 CG LEU A 46 -5.985 11.444 0.596 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.062 12.198 1.359 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.426 11.186 -0.838 1.00 0.00 C ATOM 0 H LEU A 46 -3.729 10.335 1.916 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.600 11.051 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.498 12.578 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.777 13.100 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.827 10.483 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.992 11.630 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.749 12.331 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.219 13.174 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.365 10.633 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.566 12.137 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.663 10.604 -1.354 1.00 0.00 H new ATOM 694 N GLU A 47 -1.620 12.631 1.271 1.00 0.00 N ATOM 695 CA GLU A 47 -0.458 13.509 1.356 1.00 0.00 C ATOM 696 C GLU A 47 0.639 13.052 0.399 1.00 0.00 C ATOM 697 O GLU A 47 1.151 13.840 -0.398 1.00 0.00 O ATOM 698 CB GLU A 47 0.080 13.542 2.788 1.00 0.00 C ATOM 699 CG GLU A 47 -0.564 14.611 3.655 1.00 0.00 C ATOM 700 CD GLU A 47 0.365 15.118 4.741 1.00 0.00 C ATOM 701 OE1 GLU A 47 1.383 15.758 4.401 1.00 0.00 O ATOM 702 OE2 GLU A 47 0.074 14.876 5.931 1.00 0.00 O ATOM 0 H GLU A 47 -1.916 12.234 2.163 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.771 14.513 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.079 12.567 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.157 13.709 2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.872 15.446 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.467 14.207 4.113 1.00 0.00 H new ATOM 709 N LEU A 48 0.996 11.775 0.483 1.00 0.00 N ATOM 710 CA LEU A 48 2.033 11.212 -0.375 1.00 0.00 C ATOM 711 C LEU A 48 1.718 11.463 -1.846 1.00 0.00 C ATOM 712 O LEU A 48 2.588 11.339 -2.707 1.00 0.00 O ATOM 713 CB LEU A 48 2.173 9.710 -0.120 1.00 0.00 C ATOM 714 CG LEU A 48 2.379 9.293 1.337 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.134 7.802 1.505 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.780 9.661 1.804 1.00 0.00 C ATOM 0 H LEU A 48 0.583 11.110 1.137 1.00 0.00 H new ATOM 0 HA LEU A 48 2.976 11.704 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.279 9.213 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.014 9.339 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 48 1.659 9.830 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.285 7.524 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.111 7.566 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.830 7.246 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.909 9.357 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.516 9.151 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.920 10.739 1.721 1.00 0.00 H new ATOM 728 N GLY A 49 0.467 11.817 -2.126 1.00 0.00 N ATOM 729 CA GLY A 49 0.060 12.081 -3.494 1.00 0.00 C ATOM 730 C GLY A 49 -0.458 10.841 -4.194 1.00 0.00 C ATOM 731 O GLY A 49 -0.325 10.706 -5.410 1.00 0.00 O ATOM 0 H GLY A 49 -0.271 11.926 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.715 12.847 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.907 12.482 -4.051 1.00 0.00 H new ATOM 735 N ALA A 50 -1.050 9.933 -3.426 1.00 0.00 N ATOM 736 CA ALA A 50 -1.591 8.698 -3.980 1.00 0.00 C ATOM 737 C ALA A 50 -3.114 8.742 -4.036 1.00 0.00 C ATOM 738 O ALA A 50 -3.755 9.436 -3.246 1.00 0.00 O ATOM 739 CB ALA A 50 -1.125 7.504 -3.161 1.00 0.00 C ATOM 0 H ALA A 50 -1.167 10.029 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.219 8.593 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.536 6.588 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.036 7.454 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.468 7.612 -2.132 1.00 0.00 H new ATOM 745 N LYS A 51 -3.689 7.998 -4.975 1.00 0.00 N ATOM 746 CA LYS A 51 -5.137 7.951 -5.135 1.00 0.00 C ATOM 747 C LYS A 51 -5.745 6.853 -4.268 1.00 0.00 C ATOM 748 O LYS A 51 -5.175 5.770 -4.131 1.00 0.00 O ATOM 749 CB LYS A 51 -5.502 7.717 -6.603 1.00 0.00 C ATOM 750 CG LYS A 51 -5.411 8.968 -7.459 1.00 0.00 C ATOM 751 CD LYS A 51 -3.979 9.253 -7.880 1.00 0.00 C ATOM 752 CE LYS A 51 -3.914 10.368 -8.913 1.00 0.00 C ATOM 753 NZ LYS A 51 -4.052 9.846 -10.301 1.00 0.00 N ATOM 0 H LYS A 51 -3.173 7.419 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.544 8.910 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.841 6.955 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.517 7.322 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.035 8.850 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.804 9.819 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.390 9.530 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.532 8.348 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.705 11.092 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.966 10.898 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.003 10.636 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.283 9.174 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.967 9.362 -10.401 1.00 0.00 H new ATOM 767 N TYR A 52 -6.904 7.139 -3.685 1.00 0.00 N ATOM 768 CA TYR A 52 -7.588 6.176 -2.831 1.00 0.00 C ATOM 769 C TYR A 52 -8.883 5.696 -3.479 1.00 0.00 C ATOM 770 O TYR A 52 -9.854 6.446 -3.580 1.00 0.00 O ATOM 771 CB TYR A 52 -7.887 6.796 -1.465 1.00 0.00 C ATOM 772 CG TYR A 52 -9.119 6.227 -0.798 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.231 4.865 -0.548 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.171 7.052 -0.417 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.355 4.341 0.060 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.298 6.537 0.193 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.386 5.181 0.429 1.00 0.00 C ATOM 778 OH TYR A 52 -12.506 4.662 1.037 1.00 0.00 O ATOM 0 H TYR A 52 -7.389 8.030 -3.788 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.931 5.317 -2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.028 6.645 -0.811 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.013 7.872 -1.584 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.426 4.205 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.106 8.114 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.427 3.280 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.106 7.192 0.484 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.137 5.386 1.234 1.00 0.00 H new ATOM 788 N ARG A 53 -8.889 4.441 -3.915 1.00 0.00 N ATOM 789 CA ARG A 53 -10.064 3.860 -4.554 1.00 0.00 C ATOM 790 C ARG A 53 -10.806 2.937 -3.592 1.00 0.00 C ATOM 791 O ARG A 53 -10.204 2.225 -2.788 1.00 0.00 O ATOM 792 CB ARG A 53 -9.657 3.085 -5.809 1.00 0.00 C ATOM 793 CG ARG A 53 -9.129 3.970 -6.927 1.00 0.00 C ATOM 794 CD ARG A 53 -10.259 4.681 -7.655 1.00 0.00 C ATOM 795 NE ARG A 53 -11.127 3.745 -8.365 1.00 0.00 N ATOM 796 CZ ARG A 53 -12.349 4.052 -8.787 1.00 0.00 C ATOM 797 NH1 ARG A 53 -12.843 5.263 -8.572 1.00 0.00 N ATOM 798 NH2 ARG A 53 -13.078 3.146 -9.426 1.00 0.00 N ATOM 0 H ARG A 53 -8.094 3.807 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.732 4.673 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.892 2.355 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.518 2.526 -6.176 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.440 4.707 -6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.562 3.365 -7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.850 5.251 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.841 5.396 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.776 2.805 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.285 5.962 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.781 5.496 -8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.700 2.213 -9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.016 3.382 -9.750 1.00 0.00 H new ATOM 812 N PRO A 54 -12.144 2.949 -3.674 1.00 0.00 N ATOM 813 CA PRO A 54 -12.997 2.119 -2.818 1.00 0.00 C ATOM 814 C PRO A 54 -12.891 0.636 -3.158 1.00 0.00 C ATOM 815 O PRO A 54 -13.245 -0.223 -2.349 1.00 0.00 O ATOM 816 CB PRO A 54 -14.407 2.636 -3.114 1.00 0.00 C ATOM 817 CG PRO A 54 -14.319 3.214 -4.484 1.00 0.00 C ATOM 818 CD PRO A 54 -12.929 3.773 -4.609 1.00 0.00 C ATOM 0 HA PRO A 54 -12.714 2.191 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.141 1.831 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.714 3.387 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.503 2.452 -5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.067 3.993 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.553 3.692 -5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.895 4.829 -4.340 1.00 0.00 H new ATOM 826 N ASP A 55 -12.403 0.342 -4.357 1.00 0.00 N ATOM 827 CA ASP A 55 -12.249 -1.038 -4.803 1.00 0.00 C ATOM 828 C ASP A 55 -11.134 -1.153 -5.838 1.00 0.00 C ATOM 829 O ASP A 55 -10.815 -0.188 -6.532 1.00 0.00 O ATOM 830 CB ASP A 55 -13.563 -1.556 -5.391 1.00 0.00 C ATOM 831 CG ASP A 55 -14.729 -1.387 -4.438 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.886 -2.236 -3.536 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.486 -0.406 -4.594 1.00 0.00 O ATOM 0 H ASP A 55 -12.107 1.041 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.982 -1.646 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.776 -1.026 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.454 -2.611 -5.644 1.00 0.00 H new ATOM 838 N TRP A 56 -10.544 -2.339 -5.934 1.00 0.00 N ATOM 839 CA TRP A 56 -9.464 -2.581 -6.884 1.00 0.00 C ATOM 840 C TRP A 56 -9.934 -2.346 -8.315 1.00 0.00 C ATOM 841 O TRP A 56 -10.929 -2.923 -8.756 1.00 0.00 O ATOM 842 CB TRP A 56 -8.936 -4.008 -6.735 1.00 0.00 C ATOM 843 CG TRP A 56 -7.785 -4.314 -7.645 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.833 -5.000 -8.825 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.415 -3.946 -7.449 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.576 -5.081 -9.374 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.689 -4.441 -8.549 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.732 -3.245 -6.451 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.315 -4.257 -8.677 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.369 -3.064 -6.580 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.671 -3.567 -7.686 1.00 0.00 C ATOM 0 H TRP A 56 -10.795 -3.148 -5.366 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.659 -1.879 -6.667 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.625 -4.167 -5.702 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.745 -4.710 -6.936 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.728 -5.418 -9.262 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.341 -5.543 -10.253 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.260 -2.852 -5.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.776 -4.645 -9.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -3.831 -2.525 -5.814 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.605 -3.407 -7.758 1.00 0.00 H new ATOM 862 N THR A 57 -9.212 -1.495 -9.039 1.00 0.00 N ATOM 863 CA THR A 57 -9.557 -1.184 -10.420 1.00 0.00 C ATOM 864 C THR A 57 -8.335 -1.282 -11.327 1.00 0.00 C ATOM 865 O THR A 57 -7.209 -1.436 -10.853 1.00 0.00 O ATOM 866 CB THR A 57 -10.161 0.227 -10.544 1.00 0.00 C ATOM 867 OG1 THR A 57 -10.221 0.616 -11.921 1.00 0.00 O ATOM 868 CG2 THR A 57 -9.338 1.240 -9.762 1.00 0.00 C ATOM 0 H THR A 57 -8.385 -1.010 -8.691 1.00 0.00 H new ATOM 0 HA THR A 57 -10.299 -1.918 -10.733 1.00 0.00 H new ATOM 0 HB THR A 57 -11.169 0.203 -10.129 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.835 1.511 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.785 2.229 -9.865 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.319 0.958 -8.709 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.320 1.259 -10.151 1.00 0.00 H new ATOM 876 N ARG A 58 -8.564 -1.192 -12.633 1.00 0.00 N ATOM 877 CA ARG A 58 -7.482 -1.272 -13.606 1.00 0.00 C ATOM 878 C ARG A 58 -6.506 -0.112 -13.429 1.00 0.00 C ATOM 879 O ARG A 58 -5.429 -0.097 -14.026 1.00 0.00 O ATOM 880 CB ARG A 58 -8.044 -1.267 -15.028 1.00 0.00 C ATOM 881 CG ARG A 58 -7.092 -1.846 -16.062 1.00 0.00 C ATOM 882 CD ARG A 58 -7.791 -2.085 -17.391 1.00 0.00 C ATOM 883 NE ARG A 58 -8.759 -3.175 -17.312 1.00 0.00 N ATOM 884 CZ ARG A 58 -9.599 -3.485 -18.294 1.00 0.00 C ATOM 885 NH1 ARG A 58 -9.589 -2.791 -19.423 1.00 0.00 N ATOM 886 NH2 ARG A 58 -10.451 -4.492 -18.147 1.00 0.00 N ATOM 0 H ARG A 58 -9.490 -1.064 -13.042 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.945 -2.206 -13.439 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.974 -1.836 -15.044 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.292 -0.243 -15.308 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.254 -1.165 -16.208 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.679 -2.785 -15.693 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.298 -1.172 -17.703 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.048 -2.314 -18.155 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.792 -3.729 -16.456 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.935 -2.017 -19.540 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.235 -3.031 -20.175 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.461 -5.029 -17.280 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.095 -4.729 -18.901 1.00 0.00 H new ATOM 900 N ASP A 59 -6.890 0.858 -12.606 1.00 0.00 N ATOM 901 CA ASP A 59 -6.049 2.022 -12.351 1.00 0.00 C ATOM 902 C ASP A 59 -5.243 1.838 -11.069 1.00 0.00 C ATOM 903 O ASP A 59 -4.254 2.535 -10.841 1.00 0.00 O ATOM 904 CB ASP A 59 -6.906 3.285 -12.253 1.00 0.00 C ATOM 905 CG ASP A 59 -8.058 3.280 -13.239 1.00 0.00 C ATOM 906 OD1 ASP A 59 -7.795 3.301 -14.460 1.00 0.00 O ATOM 907 OD2 ASP A 59 -9.223 3.256 -12.789 1.00 0.00 O ATOM 0 H ASP A 59 -7.778 0.861 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.354 2.128 -13.184 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.299 3.377 -11.240 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.281 4.160 -12.433 1.00 0.00 H new ATOM 912 N SER A 60 -5.674 0.898 -10.234 1.00 0.00 N ATOM 913 CA SER A 60 -4.995 0.626 -8.973 1.00 0.00 C ATOM 914 C SER A 60 -3.651 -0.054 -9.214 1.00 0.00 C ATOM 915 O SER A 60 -3.579 -1.108 -9.847 1.00 0.00 O ATOM 916 CB SER A 60 -5.870 -0.252 -8.077 1.00 0.00 C ATOM 917 OG SER A 60 -6.721 0.537 -7.264 1.00 0.00 O ATOM 0 H SER A 60 -6.490 0.312 -10.408 1.00 0.00 H new ATOM 0 HA SER A 60 -4.816 1.578 -8.473 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.469 -0.922 -8.693 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.238 -0.878 -7.447 1.00 0.00 H new ATOM 0 HG SER A 60 -6.193 1.229 -6.813 1.00 0.00 H new ATOM 923 N THR A 61 -2.585 0.557 -8.706 1.00 0.00 N ATOM 924 CA THR A 61 -1.243 0.013 -8.866 1.00 0.00 C ATOM 925 C THR A 61 -0.837 -0.817 -7.654 1.00 0.00 C ATOM 926 O THR A 61 -0.525 -1.997 -7.809 1.00 0.00 O ATOM 927 CB THR A 61 -0.205 1.131 -9.079 1.00 0.00 C ATOM 928 OG1 THR A 61 0.023 1.828 -7.849 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.676 2.111 -10.143 1.00 0.00 C ATOM 0 H THR A 61 -2.626 1.430 -8.180 1.00 0.00 H new ATOM 0 HA THR A 61 -1.265 -0.626 -9.749 1.00 0.00 H new ATOM 0 HB THR A 61 0.726 0.674 -9.415 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.821 1.465 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.073 2.891 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.821 1.583 -11.085 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.618 2.562 -9.831 1.00 0.00 H new ATOM 937 N HIS A 62 -0.851 -0.192 -6.485 1.00 0.00 N ATOM 938 CA HIS A 62 -0.484 -0.885 -5.262 1.00 0.00 C ATOM 939 C HIS A 62 -1.728 -1.086 -4.393 1.00 0.00 C ATOM 940 O HIS A 62 -2.607 -0.228 -4.302 1.00 0.00 O ATOM 941 CB HIS A 62 0.635 -0.141 -4.531 1.00 0.00 C ATOM 942 CG HIS A 62 1.875 0.077 -5.366 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.910 0.943 -6.445 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.122 -0.468 -5.269 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.127 0.913 -6.966 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.877 0.038 -6.236 1.00 0.00 N ATOM 0 H HIS A 62 -1.111 0.786 -6.360 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.088 -1.871 -5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.258 0.826 -4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.906 -0.701 -3.636 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.441 -1.189 -4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.466 1.482 -7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.857 -0.190 -6.406 1.00 0.00 H new ATOM 954 N LEU A 63 -1.783 -2.248 -3.752 1.00 0.00 N ATOM 955 CA LEU A 63 -2.904 -2.591 -2.884 1.00 0.00 C ATOM 956 C LEU A 63 -2.472 -2.617 -1.422 1.00 0.00 C ATOM 957 O LEU A 63 -1.457 -3.222 -1.074 1.00 0.00 O ATOM 958 CB LEU A 63 -3.485 -3.949 -3.281 1.00 0.00 C ATOM 959 CG LEU A 63 -4.365 -4.634 -2.235 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.792 -4.114 -2.316 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.335 -6.144 -2.418 1.00 0.00 C ATOM 0 H LEU A 63 -1.064 -2.969 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.671 -1.826 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.071 -3.819 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.660 -4.617 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.970 -4.400 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.404 -4.613 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.798 -3.039 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.198 -4.317 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.967 -6.614 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.705 -6.398 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.312 -6.503 -2.309 1.00 0.00 H new ATOM 973 N ILE A 64 -3.250 -1.959 -0.569 1.00 0.00 N ATOM 974 CA ILE A 64 -2.949 -1.909 0.857 1.00 0.00 C ATOM 975 C ILE A 64 -3.743 -2.963 1.623 1.00 0.00 C ATOM 976 O ILE A 64 -4.953 -2.829 1.808 1.00 0.00 O ATOM 977 CB ILE A 64 -3.256 -0.521 1.449 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.687 0.578 0.549 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.687 -0.408 2.856 1.00 0.00 C ATOM 980 CD1 ILE A 64 -1.188 0.742 0.669 1.00 0.00 C ATOM 0 H ILE A 64 -4.093 -1.453 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.883 -2.112 0.962 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.337 -0.396 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.938 0.353 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.169 1.524 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.912 0.579 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.134 -1.172 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.607 -0.549 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.855 1.538 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.931 0.998 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.697 -0.191 0.394 1.00 0.00 H new ATOM 992 N CYS A 65 -3.053 -4.008 2.066 1.00 0.00 N ATOM 993 CA CYS A 65 -3.693 -5.085 2.813 1.00 0.00 C ATOM 994 C CYS A 65 -3.235 -5.084 4.268 1.00 0.00 C ATOM 995 O CYS A 65 -2.122 -4.661 4.578 1.00 0.00 O ATOM 996 CB CYS A 65 -3.382 -6.436 2.169 1.00 0.00 C ATOM 997 SG CYS A 65 -4.541 -7.751 2.615 1.00 0.00 S ATOM 0 H CYS A 65 -2.051 -4.132 1.921 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.770 -4.920 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.382 -6.318 1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.376 -6.740 2.457 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.914 -8.675 3.280 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.102 -5.559 5.156 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.786 -5.613 6.578 1.00 0.00 C ATOM 1005 C ALA A 66 -3.068 -6.911 6.932 1.00 0.00 C ATOM 1006 O ALA A 66 -2.174 -6.928 7.778 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.053 -5.467 7.407 1.00 0.00 C ATOM 0 H ALA A 66 -5.028 -5.912 4.916 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.117 -4.783 6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.801 -5.509 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.525 -4.510 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.741 -6.277 7.165 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.465 -7.999 6.279 1.00 0.00 N ATOM 1014 CA PHE A 67 -2.861 -9.303 6.526 1.00 0.00 C ATOM 1015 C PHE A 67 -3.052 -10.227 5.327 1.00 0.00 C ATOM 1016 O PHE A 67 -3.884 -9.969 4.458 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.466 -9.940 7.778 1.00 0.00 C ATOM 1018 CG PHE A 67 -4.919 -9.613 7.975 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.902 -10.349 7.332 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.302 -8.570 8.802 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.239 -10.049 7.510 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.638 -8.266 8.985 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.608 -9.008 8.339 1.00 0.00 C ATOM 0 H PHE A 67 -4.203 -8.003 5.575 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.792 -9.157 6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.350 -11.022 7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.905 -9.608 8.652 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.620 -11.166 6.685 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.548 -7.987 9.310 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.995 -10.628 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.923 -7.450 9.632 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.653 -8.774 8.482 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.275 -11.304 5.288 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.360 -12.268 4.198 1.00 0.00 C ATOM 1035 C ALA A 68 -3.575 -13.175 4.359 1.00 0.00 C ATOM 1036 O ALA A 68 -4.356 -13.020 5.297 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.086 -13.097 4.127 1.00 0.00 C ATOM 0 H ALA A 68 -1.579 -11.531 5.999 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.474 -11.715 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.163 -13.813 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.233 -12.440 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.948 -13.633 5.066 1.00 0.00 H new ATOM 1043 N ASN A 69 -3.729 -14.121 3.438 1.00 0.00 N ATOM 1044 CA ASN A 69 -4.850 -15.052 3.479 1.00 0.00 C ATOM 1045 C ASN A 69 -6.178 -14.309 3.357 1.00 0.00 C ATOM 1046 O ASN A 69 -7.119 -14.570 4.107 1.00 0.00 O ATOM 1047 CB ASN A 69 -4.823 -15.860 4.777 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.009 -17.133 4.648 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -4.558 -18.219 4.460 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -2.691 -17.005 4.749 1.00 0.00 N ATOM 0 H ASN A 69 -3.091 -14.263 2.654 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.755 -15.733 2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.408 -15.246 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.843 -16.112 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.091 -17.826 4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.278 -16.085 4.905 1.00 0.00 H new ATOM 1057 N THR A 70 -6.246 -13.383 2.406 1.00 0.00 N ATOM 1058 CA THR A 70 -7.457 -12.602 2.185 1.00 0.00 C ATOM 1059 C THR A 70 -7.996 -12.810 0.775 1.00 0.00 C ATOM 1060 O THR A 70 -7.276 -13.219 -0.136 1.00 0.00 O ATOM 1061 CB THR A 70 -7.206 -11.099 2.411 1.00 0.00 C ATOM 1062 OG1 THR A 70 -5.862 -10.767 2.043 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.447 -10.723 3.865 1.00 0.00 C ATOM 0 H THR A 70 -5.477 -13.155 1.776 1.00 0.00 H new ATOM 0 HA THR A 70 -8.194 -12.952 2.908 1.00 0.00 H new ATOM 0 HB THR A 70 -7.902 -10.538 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.673 -9.839 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.264 -9.657 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.479 -10.951 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.772 -11.291 4.505 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.292 -12.520 0.587 1.00 0.00 N ATOM 1072 CA PRO A 71 -9.955 -12.666 -0.712 1.00 0.00 C ATOM 1073 C PRO A 71 -9.476 -11.634 -1.727 1.00 0.00 C ATOM 1074 O PRO A 71 -9.471 -11.888 -2.932 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.434 -12.445 -0.382 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.426 -11.608 0.850 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.209 -12.027 1.628 1.00 0.00 C ATOM 0 HA PRO A 71 -9.746 -13.633 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.951 -11.942 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.948 -13.391 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.384 -10.548 0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.334 -11.763 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.778 -11.192 2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.445 -12.803 2.356 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.074 -10.468 -1.233 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.591 -9.396 -2.096 1.00 0.00 C ATOM 1087 C LYS A 72 -7.099 -9.553 -2.375 1.00 0.00 C ATOM 1088 O LYS A 72 -6.572 -8.977 -3.328 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.860 -8.034 -1.452 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.590 -6.860 -2.378 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.813 -6.515 -3.211 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.802 -5.667 -2.425 1.00 0.00 C ATOM 1093 NZ LYS A 72 -11.745 -6.505 -1.634 1.00 0.00 N ATOM 0 H LYS A 72 -9.073 -10.241 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.128 -9.455 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.899 -7.996 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.240 -7.934 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.293 -5.992 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.755 -7.099 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.504 -5.978 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.300 -7.432 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.258 -5.002 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.366 -5.036 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.679 -6.048 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.830 -7.443 -2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.386 -6.611 -0.664 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.425 -10.336 -1.540 1.00 0.00 N ATOM 1108 CA TYR A 73 -4.994 -10.567 -1.697 1.00 0.00 C ATOM 1109 C TYR A 73 -4.717 -11.485 -2.883 1.00 0.00 C ATOM 1110 O TYR A 73 -3.920 -11.159 -3.762 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.412 -11.176 -0.420 1.00 0.00 C ATOM 1112 CG TYR A 73 -2.998 -11.686 -0.583 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.753 -12.982 -1.020 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -1.908 -10.874 -0.298 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.463 -13.454 -1.169 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -0.614 -11.336 -0.446 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.397 -12.627 -0.882 1.00 0.00 C ATOM 1118 OH TYR A 73 0.890 -13.091 -1.029 1.00 0.00 O ATOM 0 H TYR A 73 -6.846 -10.821 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.515 -9.606 -1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.430 -10.426 0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.051 -11.998 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.585 -13.632 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.075 -9.864 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.290 -14.465 -1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.222 -10.690 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 73 0.916 -13.763 -1.742 1.00 0.00 H new ATOM 1128 N SER A 74 -5.383 -12.636 -2.901 1.00 0.00 N ATOM 1129 CA SER A 74 -5.207 -13.604 -3.977 1.00 0.00 C ATOM 1130 C SER A 74 -5.594 -12.997 -5.322 1.00 0.00 C ATOM 1131 O SER A 74 -4.881 -13.155 -6.313 1.00 0.00 O ATOM 1132 CB SER A 74 -6.047 -14.854 -3.708 1.00 0.00 C ATOM 1133 OG SER A 74 -5.393 -15.723 -2.800 1.00 0.00 O ATOM 0 H SER A 74 -6.049 -12.920 -2.183 1.00 0.00 H new ATOM 0 HA SER A 74 -4.154 -13.883 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.017 -14.564 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.236 -15.378 -4.645 1.00 0.00 H new ATOM 0 HG SER A 74 -5.951 -16.513 -2.644 1.00 0.00 H new ATOM 1139 N GLN A 75 -6.726 -12.303 -5.348 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.208 -11.672 -6.571 1.00 0.00 C ATOM 1141 C GLN A 75 -6.114 -10.829 -7.217 1.00 0.00 C ATOM 1142 O GLN A 75 -5.604 -11.167 -8.285 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.431 -10.802 -6.274 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.197 -10.384 -7.519 1.00 0.00 C ATOM 1145 CD GLN A 75 -9.709 -11.569 -8.313 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -10.705 -12.194 -7.946 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -9.030 -11.886 -9.410 1.00 0.00 N ATOM 0 H GLN A 75 -7.327 -12.163 -4.536 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.493 -12.460 -7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.102 -11.348 -5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.110 -9.909 -5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.038 -9.755 -7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.550 -9.779 -8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.210 -11.341 -9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.329 -12.674 -9.985 1.00 0.00 H new ATOM 1156 N VAL A 76 -5.756 -9.730 -6.561 1.00 0.00 N ATOM 1157 CA VAL A 76 -4.721 -8.838 -7.070 1.00 0.00 C ATOM 1158 C VAL A 76 -3.417 -9.591 -7.312 1.00 0.00 C ATOM 1159 O VAL A 76 -2.515 -9.092 -7.986 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.456 -7.673 -6.099 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.452 -6.698 -6.695 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -5.756 -6.965 -5.749 1.00 0.00 C ATOM 0 H VAL A 76 -6.168 -9.436 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.086 -8.436 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.031 -8.078 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.278 -5.882 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.513 -7.216 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.845 -6.297 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.550 -6.144 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.212 -6.572 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.439 -7.671 -5.277 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.324 -10.794 -6.757 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.130 -11.618 -6.912 1.00 0.00 C ATOM 1174 C LEU A 77 -2.017 -12.150 -8.337 1.00 0.00 C ATOM 1175 O LEU A 77 -0.962 -12.057 -8.963 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.158 -12.783 -5.921 1.00 0.00 C ATOM 1177 CG LEU A 77 -0.797 -13.344 -5.506 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -0.958 -14.366 -4.392 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -0.089 -13.963 -6.702 1.00 0.00 C ATOM 0 H LEU A 77 -4.061 -11.221 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.259 -10.995 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.684 -12.458 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.744 -13.592 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.186 -12.523 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.021 -14.754 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.423 -13.892 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.587 -15.186 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.878 -14.357 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.697 -14.772 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.060 -13.204 -7.469 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.113 -12.707 -8.844 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.116 -13.244 -10.192 1.00 0.00 C ATOM 1193 C GLY A 78 -3.135 -12.157 -11.249 1.00 0.00 C ATOM 1194 O GLY A 78 -2.477 -12.275 -12.284 1.00 0.00 O ATOM 0 H GLY A 78 -3.998 -12.796 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.234 -13.868 -10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.986 -13.888 -10.321 1.00 0.00 H new ATOM 1198 N LEU A 79 -3.892 -11.096 -10.991 1.00 0.00 N ATOM 1199 CA LEU A 79 -3.995 -9.984 -11.929 1.00 0.00 C ATOM 1200 C LEU A 79 -2.613 -9.490 -12.343 1.00 0.00 C ATOM 1201 O LEU A 79 -2.300 -9.415 -13.531 1.00 0.00 O ATOM 1202 CB LEU A 79 -4.793 -8.837 -11.304 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.308 -9.031 -11.238 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -6.914 -8.139 -10.166 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -6.941 -8.747 -12.592 1.00 0.00 C ATOM 0 H LEU A 79 -4.443 -10.983 -10.140 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.515 -10.339 -12.819 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.423 -8.673 -10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.588 -7.928 -11.869 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.511 -10.069 -10.975 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.993 -8.291 -10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.483 -8.391 -9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.701 -7.095 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.020 -8.890 -12.527 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.728 -7.719 -12.885 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.529 -9.429 -13.336 1.00 0.00 H new ATOM 1217 N GLY A 80 -1.788 -9.157 -11.355 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.448 -8.677 -11.638 1.00 0.00 C ATOM 1219 C GLY A 80 -0.125 -7.392 -10.901 1.00 0.00 C ATOM 1220 O GLY A 80 0.763 -6.643 -11.305 1.00 0.00 O ATOM 0 H GLY A 80 -2.024 -9.211 -10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.275 -9.443 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.343 -8.513 -12.711 1.00 0.00 H new ATOM 1224 N GLY A 81 -0.849 -7.136 -9.816 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.621 -5.931 -9.039 1.00 0.00 C ATOM 1226 C GLY A 81 0.447 -6.118 -7.980 1.00 0.00 C ATOM 1227 O GLY A 81 0.884 -7.239 -7.721 1.00 0.00 O ATOM 0 H GLY A 81 -1.589 -7.741 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.328 -5.121 -9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.553 -5.628 -8.561 1.00 0.00 H new ATOM 1231 N ARG A 82 0.869 -5.016 -7.367 1.00 0.00 N ATOM 1232 CA ARG A 82 1.895 -5.064 -6.333 1.00 0.00 C ATOM 1233 C ARG A 82 1.267 -5.034 -4.942 1.00 0.00 C ATOM 1234 O ARG A 82 0.937 -3.968 -4.422 1.00 0.00 O ATOM 1235 CB ARG A 82 2.864 -3.890 -6.491 1.00 0.00 C ATOM 1236 CG ARG A 82 3.955 -3.854 -5.433 1.00 0.00 C ATOM 1237 CD ARG A 82 5.137 -3.008 -5.881 1.00 0.00 C ATOM 1238 NE ARG A 82 6.027 -3.741 -6.776 1.00 0.00 N ATOM 1239 CZ ARG A 82 7.085 -3.198 -7.368 1.00 0.00 C ATOM 1240 NH1 ARG A 82 7.383 -1.922 -7.159 1.00 0.00 N ATOM 1241 NH2 ARG A 82 7.848 -3.930 -8.169 1.00 0.00 N ATOM 0 H ARG A 82 0.516 -4.080 -7.569 1.00 0.00 H new ATOM 0 HA ARG A 82 2.445 -5.998 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.327 -3.942 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.301 -2.957 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.550 -3.452 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.292 -4.869 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.772 -2.114 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.696 -2.675 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 82 5.825 -4.724 -6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.799 -1.356 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.196 -1.507 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.623 -4.911 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.660 -3.511 -8.623 1.00 0.00 H new ATOM 1255 N ILE A 83 1.104 -6.211 -4.348 1.00 0.00 N ATOM 1256 CA ILE A 83 0.516 -6.320 -3.018 1.00 0.00 C ATOM 1257 C ILE A 83 1.557 -6.062 -1.934 1.00 0.00 C ATOM 1258 O ILE A 83 2.563 -6.765 -1.844 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.111 -7.708 -2.792 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.081 -8.045 -3.926 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.821 -7.756 -1.448 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.297 -9.530 -4.115 1.00 0.00 C ATOM 0 H ILE A 83 1.371 -7.102 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.266 -5.563 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 83 0.685 -8.453 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.041 -7.569 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.702 -7.620 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.259 -8.744 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.105 -7.556 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.609 -7.003 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.996 -9.695 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.346 -10.009 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.705 -9.958 -3.199 1.00 0.00 H new ATOM 1274 N VAL A 84 1.306 -5.049 -1.110 1.00 0.00 N ATOM 1275 CA VAL A 84 2.220 -4.699 -0.029 1.00 0.00 C ATOM 1276 C VAL A 84 1.477 -4.556 1.294 1.00 0.00 C ATOM 1277 O VAL A 84 0.249 -4.633 1.339 1.00 0.00 O ATOM 1278 CB VAL A 84 2.968 -3.386 -0.329 1.00 0.00 C ATOM 1279 CG1 VAL A 84 4.118 -3.634 -1.293 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.010 -2.343 -0.886 1.00 0.00 C ATOM 0 H VAL A 84 0.478 -4.457 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 84 2.943 -5.511 0.049 1.00 0.00 H new ATOM 0 HB VAL A 84 3.384 -3.004 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.634 -2.695 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.816 -4.345 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.729 -4.040 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.555 -1.422 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.563 -2.715 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.224 -2.144 -0.157 1.00 0.00 H new ATOM 1290 N ARG A 85 2.229 -4.348 2.370 1.00 0.00 N ATOM 1291 CA ARG A 85 1.641 -4.195 3.695 1.00 0.00 C ATOM 1292 C ARG A 85 1.212 -2.751 3.937 1.00 0.00 C ATOM 1293 O ARG A 85 1.449 -1.874 3.106 1.00 0.00 O ATOM 1294 CB ARG A 85 2.638 -4.629 4.771 1.00 0.00 C ATOM 1295 CG ARG A 85 3.425 -5.877 4.405 1.00 0.00 C ATOM 1296 CD ARG A 85 2.717 -7.139 4.869 1.00 0.00 C ATOM 1297 NE ARG A 85 2.650 -7.225 6.325 1.00 0.00 N ATOM 1298 CZ ARG A 85 2.056 -8.219 6.976 1.00 0.00 C ATOM 1299 NH1 ARG A 85 1.481 -9.206 6.304 1.00 0.00 N ATOM 1300 NH2 ARG A 85 2.037 -8.227 8.303 1.00 0.00 N ATOM 0 H ARG A 85 3.247 -4.282 2.350 1.00 0.00 H new ATOM 0 HA ARG A 85 0.758 -4.832 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.335 -3.812 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.100 -4.809 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.567 -5.915 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.416 -5.828 4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.708 -7.160 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.239 -8.012 4.478 1.00 0.00 H new ATOM 0 HE ARG A 85 3.083 -6.481 6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.494 -9.204 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.026 -9.968 6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.479 -7.469 8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.581 -8.991 8.802 1.00 0.00 H new ATOM 1314 N LYS A 86 0.579 -2.511 5.080 1.00 0.00 N ATOM 1315 CA LYS A 86 0.117 -1.173 5.433 1.00 0.00 C ATOM 1316 C LYS A 86 1.289 -0.278 5.821 1.00 0.00 C ATOM 1317 O LYS A 86 1.317 0.904 5.481 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.887 -1.246 6.585 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.238 -1.252 7.958 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.277 -1.245 9.067 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.716 -2.656 9.428 1.00 0.00 C ATOM 1322 NZ LYS A 86 -2.288 -2.724 10.801 1.00 0.00 N ATOM 0 H LYS A 86 0.374 -3.226 5.778 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.372 -0.742 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.567 -0.397 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.490 -2.147 6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.396 -2.133 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.409 -0.381 8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.866 -0.754 9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.143 -0.663 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.458 -3.001 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.864 -3.331 9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.829 -3.606 10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.518 -2.703 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.917 -1.910 10.956 1.00 0.00 H new ATOM 1336 N GLU A 87 2.254 -0.850 6.534 1.00 0.00 N ATOM 1337 CA GLU A 87 3.428 -0.102 6.968 1.00 0.00 C ATOM 1338 C GLU A 87 3.925 0.821 5.859 1.00 0.00 C ATOM 1339 O GLU A 87 4.449 1.903 6.125 1.00 0.00 O ATOM 1340 CB GLU A 87 4.545 -1.060 7.387 1.00 0.00 C ATOM 1341 CG GLU A 87 4.223 -1.859 8.639 1.00 0.00 C ATOM 1342 CD GLU A 87 4.133 -0.991 9.879 1.00 0.00 C ATOM 1343 OE1 GLU A 87 4.721 0.110 9.876 1.00 0.00 O ATOM 1344 OE2 GLU A 87 3.475 -1.414 10.852 1.00 0.00 O ATOM 0 H GLU A 87 2.246 -1.828 6.823 1.00 0.00 H new ATOM 0 HA GLU A 87 3.142 0.508 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.747 -1.750 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.458 -0.489 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.278 -2.383 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.990 -2.619 8.787 1.00 0.00 H new ATOM 1351 N TRP A 88 3.757 0.386 4.616 1.00 0.00 N ATOM 1352 CA TRP A 88 4.189 1.172 3.466 1.00 0.00 C ATOM 1353 C TRP A 88 3.753 2.626 3.605 1.00 0.00 C ATOM 1354 O TRP A 88 4.580 3.538 3.584 1.00 0.00 O ATOM 1355 CB TRP A 88 3.623 0.579 2.174 1.00 0.00 C ATOM 1356 CG TRP A 88 4.329 1.056 0.942 1.00 0.00 C ATOM 1357 CD1 TRP A 88 5.678 1.171 0.763 1.00 0.00 C ATOM 1358 CD2 TRP A 88 3.722 1.484 -0.282 1.00 0.00 C ATOM 1359 NE1 TRP A 88 5.946 1.645 -0.499 1.00 0.00 N ATOM 1360 CE2 TRP A 88 4.763 1.844 -1.160 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.401 1.597 -0.723 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.522 2.309 -2.450 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.163 2.059 -2.003 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.218 2.410 -2.855 1.00 0.00 C ATOM 0 H TRP A 88 3.325 -0.507 4.378 1.00 0.00 H new ATOM 0 HA TRP A 88 5.278 1.141 3.426 1.00 0.00 H new ATOM 0 HB2 TRP A 88 3.687 -0.508 2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.566 0.833 2.099 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.424 0.926 1.504 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.875 1.820 -0.881 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.580 1.328 -0.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.335 2.580 -3.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.145 2.151 -2.353 1.00 0.00 H new ATOM 0 HH2 TRP A 88 2.999 2.767 -3.850 1.00 0.00 H new ATOM 1375 N VAL A 89 2.448 2.837 3.749 1.00 0.00 N ATOM 1376 CA VAL A 89 1.902 4.181 3.894 1.00 0.00 C ATOM 1377 C VAL A 89 2.299 4.794 5.232 1.00 0.00 C ATOM 1378 O VAL A 89 3.003 5.804 5.281 1.00 0.00 O ATOM 1379 CB VAL A 89 0.366 4.178 3.779 1.00 0.00 C ATOM 1380 CG1 VAL A 89 -0.175 5.600 3.813 1.00 0.00 C ATOM 1381 CG2 VAL A 89 -0.071 3.462 2.510 1.00 0.00 C ATOM 0 H VAL A 89 1.750 2.094 3.768 1.00 0.00 H new ATOM 0 HA VAL A 89 2.319 4.781 3.085 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.044 3.639 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.262 5.578 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.108 6.075 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.241 6.167 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.159 3.469 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.348 3.971 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.284 2.432 2.533 1.00 0.00 H new ATOM 1391 N LEU A 90 1.844 4.178 6.318 1.00 0.00 N ATOM 1392 CA LEU A 90 2.152 4.662 7.659 1.00 0.00 C ATOM 1393 C LEU A 90 3.579 5.197 7.730 1.00 0.00 C ATOM 1394 O LEU A 90 3.814 6.307 8.207 1.00 0.00 O ATOM 1395 CB LEU A 90 1.963 3.542 8.683 1.00 0.00 C ATOM 1396 CG LEU A 90 0.542 2.995 8.824 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.553 1.670 9.570 1.00 0.00 C ATOM 1398 CD2 LEU A 90 -0.349 4.003 9.536 1.00 0.00 C ATOM 0 H LEU A 90 1.260 3.342 6.296 1.00 0.00 H new ATOM 0 HA LEU A 90 1.466 5.477 7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.624 2.717 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.288 3.908 9.657 1.00 0.00 H new ATOM 0 HG LEU A 90 0.138 2.824 7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.467 1.295 9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.157 0.948 9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.976 1.816 10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.356 3.597 9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.052 4.206 10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.382 4.929 8.962 1.00 0.00 H new ATOM 1410 N ASP A 91 4.528 4.400 7.251 1.00 0.00 N ATOM 1411 CA ASP A 91 5.932 4.794 7.257 1.00 0.00 C ATOM 1412 C ASP A 91 6.194 5.889 6.229 1.00 0.00 C ATOM 1413 O ASP A 91 6.541 7.017 6.583 1.00 0.00 O ATOM 1414 CB ASP A 91 6.824 3.585 6.972 1.00 0.00 C ATOM 1415 CG ASP A 91 7.019 2.707 8.192 1.00 0.00 C ATOM 1416 OD1 ASP A 91 7.270 3.258 9.285 1.00 0.00 O ATOM 1417 OD2 ASP A 91 6.919 1.470 8.055 1.00 0.00 O ATOM 0 H ASP A 91 4.351 3.477 6.854 1.00 0.00 H new ATOM 0 HA ASP A 91 6.170 5.186 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.383 2.994 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.795 3.930 6.617 1.00 0.00 H new ATOM 1422 N CYS A 92 6.026 5.550 4.955 1.00 0.00 N ATOM 1423 CA CYS A 92 6.246 6.505 3.874 1.00 0.00 C ATOM 1424 C CYS A 92 5.824 7.909 4.295 1.00 0.00 C ATOM 1425 O CYS A 92 6.477 8.876 3.906 1.00 0.00 O ATOM 1426 CB CYS A 92 5.474 6.079 2.625 1.00 0.00 C ATOM 1427 SG CYS A 92 6.337 4.864 1.602 1.00 0.00 S ATOM 0 H CYS A 92 5.738 4.622 4.646 1.00 0.00 H new ATOM 0 HA CYS A 92 7.312 6.519 3.645 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.513 5.665 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.264 6.962 2.022 1.00 0.00 H new ATOM 0 HG CYS A 92 6.042 3.665 2.010 1.00 0.00 H new ATOM 1433 N HIS A 93 4.751 7.990 5.068 1.00 0.00 N ATOM 1434 CA HIS A 93 4.256 9.276 5.529 1.00 0.00 C ATOM 1435 C HIS A 93 5.103 9.760 6.707 1.00 0.00 C ATOM 1436 O HIS A 93 5.725 10.822 6.671 1.00 0.00 O ATOM 1437 CB HIS A 93 2.765 9.195 5.864 1.00 0.00 C ATOM 1438 CG HIS A 93 2.129 10.533 6.158 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.973 11.023 7.443 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.612 11.477 5.320 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.387 12.209 7.370 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.163 12.489 6.054 1.00 0.00 N ATOM 0 H HIS A 93 4.211 7.186 5.387 1.00 0.00 H new ATOM 0 HA HIS A 93 4.351 10.013 4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.240 8.730 5.029 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.632 8.543 6.727 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.574 11.413 4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.131 12.843 8.206 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.723 13.336 5.693 1.00 0.00 H new ATOM 1450 N ARG A 94 5.113 8.951 7.762 1.00 0.00 N ATOM 1451 CA ARG A 94 5.872 9.273 8.964 1.00 0.00 C ATOM 1452 C ARG A 94 7.245 9.834 8.607 1.00 0.00 C ATOM 1453 O ARG A 94 7.613 10.925 9.041 1.00 0.00 O ATOM 1454 CB ARG A 94 6.030 8.030 9.841 1.00 0.00 C ATOM 1455 CG ARG A 94 6.756 8.295 11.150 1.00 0.00 C ATOM 1456 CD ARG A 94 5.796 8.751 12.237 1.00 0.00 C ATOM 1457 NE ARG A 94 6.392 8.659 13.567 1.00 0.00 N ATOM 1458 CZ ARG A 94 5.688 8.700 14.693 1.00 0.00 C ATOM 1459 NH1 ARG A 94 4.370 8.831 14.649 1.00 0.00 N ATOM 1460 NH2 ARG A 94 6.303 8.611 15.865 1.00 0.00 N ATOM 0 H ARG A 94 4.604 8.068 7.808 1.00 0.00 H new ATOM 0 HA ARG A 94 5.321 10.033 9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.043 7.622 10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.573 7.268 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.269 7.389 11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.521 9.056 10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.494 9.781 12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.893 8.142 12.202 1.00 0.00 H new ATOM 0 HE ARG A 94 7.405 8.558 13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.894 8.901 13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.831 8.862 15.515 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.317 8.511 15.902 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.761 8.643 16.729 1.00 0.00 H new ATOM 1474 N MET A 95 7.998 9.080 7.812 1.00 0.00 N ATOM 1475 CA MET A 95 9.330 9.503 7.396 1.00 0.00 C ATOM 1476 C MET A 95 9.251 10.461 6.211 1.00 0.00 C ATOM 1477 O MET A 95 10.254 11.051 5.811 1.00 0.00 O ATOM 1478 CB MET A 95 10.183 8.287 7.028 1.00 0.00 C ATOM 1479 CG MET A 95 10.384 7.315 8.179 1.00 0.00 C ATOM 1480 SD MET A 95 11.802 6.230 7.932 1.00 0.00 S ATOM 1481 CE MET A 95 11.011 4.802 7.194 1.00 0.00 C ATOM 0 H MET A 95 7.709 8.174 7.444 1.00 0.00 H new ATOM 0 HA MET A 95 9.796 10.025 8.232 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.712 7.761 6.197 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.157 8.629 6.678 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.517 7.876 9.104 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.485 6.710 8.300 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.615 4.441 6.362 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.914 4.014 7.940 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.022 5.081 6.830 1.00 0.00 H new ATOM 1491 N ARG A 96 8.053 10.609 5.654 1.00 0.00 N ATOM 1492 CA ARG A 96 7.845 11.493 4.515 1.00 0.00 C ATOM 1493 C ARG A 96 8.864 11.212 3.415 1.00 0.00 C ATOM 1494 O ARG A 96 9.432 12.135 2.830 1.00 0.00 O ATOM 1495 CB ARG A 96 7.941 12.956 4.953 1.00 0.00 C ATOM 1496 CG ARG A 96 7.168 13.263 6.225 1.00 0.00 C ATOM 1497 CD ARG A 96 7.345 14.713 6.648 1.00 0.00 C ATOM 1498 NE ARG A 96 8.540 14.902 7.466 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.969 16.090 7.877 1.00 0.00 C ATOM 1500 NH1 ARG A 96 8.304 17.189 7.548 1.00 0.00 N ATOM 1501 NH2 ARG A 96 10.066 16.181 8.619 1.00 0.00 N ATOM 0 H ARG A 96 7.212 10.128 5.974 1.00 0.00 H new ATOM 0 HA ARG A 96 6.847 11.304 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.989 13.213 5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.569 13.592 4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.110 13.055 6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.507 12.605 7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.409 15.344 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.468 15.037 7.208 1.00 0.00 H new ATOM 0 HE ARG A 96 9.074 14.076 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.461 17.123 6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.636 18.100 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.581 15.338 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.394 17.094 8.934 1.00 0.00 H new ATOM 1515 N ARG A 97 9.092 9.932 3.139 1.00 0.00 N ATOM 1516 CA ARG A 97 10.044 9.530 2.111 1.00 0.00 C ATOM 1517 C ARG A 97 9.554 8.287 1.373 1.00 0.00 C ATOM 1518 O ARG A 97 8.727 7.534 1.886 1.00 0.00 O ATOM 1519 CB ARG A 97 11.415 9.260 2.733 1.00 0.00 C ATOM 1520 CG ARG A 97 11.415 8.114 3.732 1.00 0.00 C ATOM 1521 CD ARG A 97 12.821 7.590 3.978 1.00 0.00 C ATOM 1522 NE ARG A 97 13.550 8.409 4.942 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.772 8.121 5.377 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.398 7.038 4.936 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.370 8.916 6.256 1.00 0.00 N ATOM 0 H ARG A 97 8.630 9.156 3.613 1.00 0.00 H new ATOM 0 HA ARG A 97 10.133 10.346 1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.128 9.039 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.763 10.165 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.981 8.451 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.784 7.306 3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.767 6.564 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.369 7.566 3.036 1.00 0.00 H new ATOM 0 HE ARG A 97 13.096 9.249 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.941 6.424 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.336 6.819 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.891 9.749 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.308 8.694 6.589 1.00 0.00 H new ATOM 1539 N ARG A 98 10.071 8.080 0.166 1.00 0.00 N ATOM 1540 CA ARG A 98 9.685 6.930 -0.643 1.00 0.00 C ATOM 1541 C ARG A 98 10.481 5.692 -0.242 1.00 0.00 C ATOM 1542 O ARG A 98 11.707 5.665 -0.355 1.00 0.00 O ATOM 1543 CB ARG A 98 9.900 7.229 -2.128 1.00 0.00 C ATOM 1544 CG ARG A 98 9.500 6.084 -3.044 1.00 0.00 C ATOM 1545 CD ARG A 98 9.044 6.591 -4.403 1.00 0.00 C ATOM 1546 NE ARG A 98 9.309 5.625 -5.465 1.00 0.00 N ATOM 1547 CZ ARG A 98 8.732 5.670 -6.661 1.00 0.00 C ATOM 1548 NH1 ARG A 98 7.863 6.630 -6.945 1.00 0.00 N ATOM 1549 NH2 ARG A 98 9.025 4.755 -7.575 1.00 0.00 N ATOM 0 H ARG A 98 10.758 8.693 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 98 8.627 6.733 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.327 8.116 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.951 7.466 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.345 5.407 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.698 5.509 -2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.976 6.809 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.553 7.528 -4.630 1.00 0.00 H new ATOM 0 HE ARG A 98 9.974 4.874 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.636 7.336 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.421 6.663 -7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.694 4.016 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.581 4.791 -8.493 1.00 0.00 H new ATOM 1563 N LEU A 99 9.775 4.669 0.228 1.00 0.00 N ATOM 1564 CA LEU A 99 10.415 3.427 0.647 1.00 0.00 C ATOM 1565 C LEU A 99 10.213 2.331 -0.395 1.00 0.00 C ATOM 1566 O LEU A 99 9.202 2.286 -1.095 1.00 0.00 O ATOM 1567 CB LEU A 99 9.856 2.972 1.996 1.00 0.00 C ATOM 1568 CG LEU A 99 9.962 3.980 3.141 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.238 3.464 4.375 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.421 4.274 3.460 1.00 0.00 C ATOM 0 H LEU A 99 8.760 4.675 0.328 1.00 0.00 H new ATOM 0 HA LEU A 99 11.484 3.615 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.806 2.713 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.374 2.060 2.292 1.00 0.00 H new ATOM 0 HG LEU A 99 9.485 4.909 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.324 4.194 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.186 3.306 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.685 2.521 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.477 4.993 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.922 3.352 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.910 4.688 2.578 1.00 0.00 H new ATOM 1582 N PRO A 100 11.197 1.426 -0.501 1.00 0.00 N ATOM 1583 CA PRO A 100 11.149 0.312 -1.453 1.00 0.00 C ATOM 1584 C PRO A 100 10.099 -0.728 -1.076 1.00 0.00 C ATOM 1585 O PRO A 100 10.326 -1.565 -0.204 1.00 0.00 O ATOM 1586 CB PRO A 100 12.553 -0.290 -1.365 1.00 0.00 C ATOM 1587 CG PRO A 100 13.039 0.078 -0.006 1.00 0.00 C ATOM 1588 CD PRO A 100 12.431 1.419 0.302 1.00 0.00 C ATOM 0 HA PRO A 100 10.874 0.643 -2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.529 -1.372 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.205 0.111 -2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.737 -0.666 0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.128 0.128 0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.219 1.530 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.097 2.236 0.023 1.00 0.00 H new ATOM 1596 N SER A 101 8.949 -0.668 -1.741 1.00 0.00 N ATOM 1597 CA SER A 101 7.863 -1.603 -1.473 1.00 0.00 C ATOM 1598 C SER A 101 8.328 -3.044 -1.657 1.00 0.00 C ATOM 1599 O SER A 101 7.696 -3.978 -1.165 1.00 0.00 O ATOM 1600 CB SER A 101 6.676 -1.317 -2.396 1.00 0.00 C ATOM 1601 OG SER A 101 6.535 0.074 -2.628 1.00 0.00 O ATOM 0 H SER A 101 8.746 0.018 -2.468 1.00 0.00 H new ATOM 0 HA SER A 101 7.550 -1.470 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.816 -1.835 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.762 -1.709 -1.950 1.00 0.00 H new ATOM 0 HG SER A 101 5.977 0.468 -1.925 1.00 0.00 H new ATOM 1607 N GLN A 102 9.438 -3.215 -2.369 1.00 0.00 N ATOM 1608 CA GLN A 102 9.988 -4.542 -2.618 1.00 0.00 C ATOM 1609 C GLN A 102 10.333 -5.243 -1.309 1.00 0.00 C ATOM 1610 O GLN A 102 10.580 -6.449 -1.286 1.00 0.00 O ATOM 1611 CB GLN A 102 11.233 -4.443 -3.501 1.00 0.00 C ATOM 1612 CG GLN A 102 10.924 -4.134 -4.957 1.00 0.00 C ATOM 1613 CD GLN A 102 12.109 -4.379 -5.870 1.00 0.00 C ATOM 1614 OE1 GLN A 102 12.997 -3.535 -5.993 1.00 0.00 O ATOM 1615 NE2 GLN A 102 12.130 -5.539 -6.516 1.00 0.00 N ATOM 0 H GLN A 102 9.973 -2.452 -2.783 1.00 0.00 H new ATOM 0 HA GLN A 102 9.230 -5.131 -3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.888 -3.667 -3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.782 -5.383 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.085 -4.748 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.611 -3.094 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.373 -6.210 -6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.903 -5.759 -7.144 1.00 0.00 H new ATOM 1624 N ARG A 103 10.348 -4.480 -0.221 1.00 0.00 N ATOM 1625 CA ARG A 103 10.664 -5.029 1.093 1.00 0.00 C ATOM 1626 C ARG A 103 9.392 -5.425 1.837 1.00 0.00 C ATOM 1627 O ARG A 103 9.394 -6.362 2.635 1.00 0.00 O ATOM 1628 CB ARG A 103 11.454 -4.011 1.917 1.00 0.00 C ATOM 1629 CG ARG A 103 12.879 -3.805 1.428 1.00 0.00 C ATOM 1630 CD ARG A 103 13.672 -2.922 2.378 1.00 0.00 C ATOM 1631 NE ARG A 103 15.100 -2.934 2.073 1.00 0.00 N ATOM 1632 CZ ARG A 103 16.044 -2.638 2.960 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.712 -2.310 4.201 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.322 -2.672 2.607 1.00 0.00 N ATOM 0 H ARG A 103 10.145 -3.480 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 103 11.273 -5.922 0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.930 -3.055 1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.479 -4.339 2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.374 -4.771 1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.863 -3.352 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.298 -1.900 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.517 -3.261 3.402 1.00 0.00 H new ATOM 0 HE ARG A 103 15.389 -3.183 1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.730 -2.285 4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.438 -2.083 4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.581 -2.926 1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.046 -2.445 3.289 1.00 0.00 H new ATOM 1648 N TYR A 104 8.309 -4.704 1.571 1.00 0.00 N ATOM 1649 CA TYR A 104 7.031 -4.978 2.217 1.00 0.00 C ATOM 1650 C TYR A 104 6.181 -5.918 1.368 1.00 0.00 C ATOM 1651 O TYR A 104 5.079 -6.304 1.761 1.00 0.00 O ATOM 1652 CB TYR A 104 6.273 -3.674 2.469 1.00 0.00 C ATOM 1653 CG TYR A 104 6.923 -2.785 3.505 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.886 -1.851 3.143 1.00 0.00 C ATOM 1655 CD2 TYR A 104 6.576 -2.881 4.847 1.00 0.00 C ATOM 1656 CE1 TYR A 104 8.483 -1.038 4.086 1.00 0.00 C ATOM 1657 CE2 TYR A 104 7.167 -2.071 5.797 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.120 -1.151 5.412 1.00 0.00 C ATOM 1659 OH TYR A 104 8.712 -0.343 6.356 1.00 0.00 O ATOM 0 H TYR A 104 8.290 -3.925 0.912 1.00 0.00 H new ATOM 0 HA TYR A 104 7.233 -5.463 3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.191 -3.124 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.258 -3.910 2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.173 -1.759 2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.831 -3.601 5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.230 -0.318 3.787 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.884 -2.158 6.836 1.00 0.00 H new ATOM 0 HH TYR A 104 8.023 0.178 6.819 1.00 0.00 H new ATOM 1669 N LEU A 105 6.701 -6.283 0.201 1.00 0.00 N ATOM 1670 CA LEU A 105 5.991 -7.179 -0.706 1.00 0.00 C ATOM 1671 C LEU A 105 5.411 -8.370 0.049 1.00 0.00 C ATOM 1672 O LEU A 105 6.110 -9.031 0.817 1.00 0.00 O ATOM 1673 CB LEU A 105 6.931 -7.668 -1.810 1.00 0.00 C ATOM 1674 CG LEU A 105 7.086 -6.744 -3.018 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.255 -7.188 -3.883 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.800 -6.709 -3.831 1.00 0.00 C ATOM 0 H LEU A 105 7.611 -5.973 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 105 5.169 -6.624 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.917 -7.832 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.573 -8.636 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 105 7.291 -5.736 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.350 -6.519 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.173 -7.160 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.081 -8.205 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.929 -6.046 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.564 -7.714 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.985 -6.342 -3.207 1.00 0.00 H new ATOM 1688 N MET A 106 4.130 -8.640 -0.177 1.00 0.00 N ATOM 1689 CA MET A 106 3.456 -9.755 0.479 1.00 0.00 C ATOM 1690 C MET A 106 3.447 -10.989 -0.418 1.00 0.00 C ATOM 1691 O MET A 106 3.799 -12.086 0.016 1.00 0.00 O ATOM 1692 CB MET A 106 2.023 -9.368 0.848 1.00 0.00 C ATOM 1693 CG MET A 106 1.938 -8.179 1.791 1.00 0.00 C ATOM 1694 SD MET A 106 0.284 -7.465 1.862 1.00 0.00 S ATOM 1695 CE MET A 106 -0.512 -8.569 3.026 1.00 0.00 C ATOM 0 H MET A 106 3.537 -8.102 -0.809 1.00 0.00 H new ATOM 0 HA MET A 106 4.006 -9.993 1.390 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.471 -9.138 -0.064 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.532 -10.224 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.238 -8.492 2.791 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.646 -7.415 1.470 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.476 -8.884 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.118 -9.444 3.187 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.663 -8.052 3.973 1.00 0.00 H new