USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.125 K(o=-0.13,f=-2) USER MOD Single : A 24 GLN : amide:sc= -1.65 K(o=-1.7,f=-4.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -170:sc= -0.865 (180deg=-0.92) USER MOD Single : A 34 MET CE :methyl -171:sc= -0.685 (180deg=-0.947) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.4) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.9!) USER MOD Single : A 51 GLN : amide:sc= -0.554 K(o=-0.55,f=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.0654 K(o=0.065,f=-0.55) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.9) USER MOD Single : B 24 GLN : amide:sc= -1.49 K(o=-1.5,f=-4!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 MET CE :methyl -170:sc= -1.19 (180deg=-1.35) USER MOD Single : B 34 MET CE :methyl -171:sc= -0.77 (180deg=-0.953) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.28) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : B 47 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.1!) USER MOD Single : B 51 GLN : amide:sc= -0.533 K(o=-0.53,f=0) USER MOD Single : B 53 HIS : no HE2:sc= 0.0664 K(o=0.066,f=-0.6) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 19 -15.031 16.810 -14.369 1.00 0.00 N ATOM 163 CA PRO A 19 -14.707 18.161 -14.877 1.00 0.00 C ATOM 164 C PRO A 19 -13.258 18.244 -15.384 1.00 0.00 C ATOM 165 O PRO A 19 -12.641 19.289 -15.334 1.00 0.00 O ATOM 166 CB PRO A 19 -14.900 19.048 -13.651 1.00 0.00 C ATOM 167 CG PRO A 19 -14.700 18.151 -12.463 1.00 0.00 C ATOM 168 CD PRO A 19 -14.826 16.716 -12.920 1.00 0.00 C ATOM 0 HA PRO A 19 -15.327 18.450 -15.726 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.184 19.870 -13.646 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.895 19.493 -13.642 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.719 18.323 -12.019 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.441 18.370 -11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.930 16.143 -12.682 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.663 16.216 -12.432 1.00 0.00 H new ATOM 176 N LYS A 20 -12.718 17.160 -15.886 1.00 0.00 N ATOM 177 CA LYS A 20 -11.313 17.168 -16.415 1.00 0.00 C ATOM 178 C LYS A 20 -10.295 17.462 -15.304 1.00 0.00 C ATOM 179 O LYS A 20 -9.517 16.609 -14.928 1.00 0.00 O ATOM 180 CB LYS A 20 -11.280 18.267 -17.484 1.00 0.00 C ATOM 181 CG LYS A 20 -10.030 18.096 -18.350 1.00 0.00 C ATOM 182 CD LYS A 20 -8.876 18.898 -17.746 1.00 0.00 C ATOM 183 CE LYS A 20 -7.835 19.193 -18.828 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.883 20.147 -18.194 1.00 0.00 N ATOM 0 H LYS A 20 -13.193 16.260 -15.953 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.042 16.194 -16.824 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.175 18.214 -18.104 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.277 19.249 -17.012 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.760 17.042 -18.413 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.230 18.435 -19.366 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.250 19.830 -17.323 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.419 18.338 -16.930 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.328 18.282 -19.147 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.298 19.627 -19.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.138 20.398 -18.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.393 21.007 -17.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.453 19.704 -17.357 1.00 0.00 H new ATOM 198 N ALA A 21 -10.282 18.663 -14.787 1.00 0.00 N ATOM 199 CA ALA A 21 -9.302 19.012 -13.710 1.00 0.00 C ATOM 200 C ALA A 21 -9.269 17.929 -12.626 1.00 0.00 C ATOM 201 O ALA A 21 -8.218 17.469 -12.228 1.00 0.00 O ATOM 202 CB ALA A 21 -9.812 20.333 -13.130 1.00 0.00 C ATOM 0 H ALA A 21 -10.908 19.420 -15.063 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.286 19.092 -14.096 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.147 20.660 -12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.836 21.090 -13.914 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.817 20.192 -12.731 1.00 0.00 H new ATOM 208 N LEU A 22 -10.411 17.517 -12.152 1.00 0.00 N ATOM 209 CA LEU A 22 -10.446 16.461 -11.101 1.00 0.00 C ATOM 210 C LEU A 22 -10.284 15.093 -11.753 1.00 0.00 C ATOM 211 O LEU A 22 -9.641 14.206 -11.229 1.00 0.00 O ATOM 212 CB LEU A 22 -11.827 16.578 -10.454 1.00 0.00 C ATOM 213 CG LEU A 22 -11.836 17.747 -9.469 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.664 19.055 -10.238 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.170 17.768 -8.719 1.00 0.00 C ATOM 0 H LEU A 22 -11.323 17.866 -12.447 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.648 16.577 -10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.587 16.730 -11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.077 15.652 -9.937 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.020 17.633 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.670 19.891 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.716 19.039 -10.776 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.483 19.170 -10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.179 18.601 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.986 17.886 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.296 16.832 -8.175 1.00 0.00 H new ATOM 227 N GLN A 23 -10.873 14.926 -12.900 1.00 0.00 N ATOM 228 CA GLN A 23 -10.773 13.619 -13.616 1.00 0.00 C ATOM 229 C GLN A 23 -9.311 13.170 -13.713 1.00 0.00 C ATOM 230 O GLN A 23 -8.963 12.069 -13.335 1.00 0.00 O ATOM 231 CB GLN A 23 -11.345 13.885 -15.008 1.00 0.00 C ATOM 232 CG GLN A 23 -11.610 12.552 -15.713 1.00 0.00 C ATOM 233 CD GLN A 23 -11.011 12.591 -17.120 1.00 0.00 C ATOM 234 OE1 GLN A 23 -10.959 13.633 -17.744 1.00 0.00 O ATOM 235 NE2 GLN A 23 -10.551 11.491 -17.650 1.00 0.00 N ATOM 0 H GLN A 23 -11.423 15.639 -13.378 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.311 12.826 -13.097 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -12.269 14.458 -14.930 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.647 14.485 -15.592 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.172 11.733 -15.142 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -12.682 12.364 -15.768 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.594 10.616 -17.127 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.148 11.506 -18.587 1.00 0.00 H new ATOM 244 N GLN A 24 -8.453 14.012 -14.221 1.00 0.00 N ATOM 245 CA GLN A 24 -7.017 13.631 -14.346 1.00 0.00 C ATOM 246 C GLN A 24 -6.383 13.477 -12.960 1.00 0.00 C ATOM 247 O GLN A 24 -5.619 12.565 -12.714 1.00 0.00 O ATOM 248 CB GLN A 24 -6.364 14.786 -15.106 1.00 0.00 C ATOM 249 CG GLN A 24 -4.889 14.466 -15.354 1.00 0.00 C ATOM 250 CD GLN A 24 -4.055 14.951 -14.167 1.00 0.00 C ATOM 251 OE1 GLN A 24 -4.455 15.849 -13.454 1.00 0.00 O ATOM 252 NE2 GLN A 24 -2.902 14.389 -13.921 1.00 0.00 N ATOM 0 H GLN A 24 -8.684 14.948 -14.555 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.889 12.679 -14.860 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.876 14.947 -16.055 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.455 15.709 -14.534 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.757 13.393 -15.491 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.551 14.948 -16.271 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.564 13.635 -14.519 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.339 14.704 -13.131 1.00 0.00 H new ATOM 261 N LYS A 25 -6.692 14.363 -12.053 1.00 0.00 N ATOM 262 CA LYS A 25 -6.104 14.267 -10.686 1.00 0.00 C ATOM 263 C LYS A 25 -6.535 12.963 -10.009 1.00 0.00 C ATOM 264 O LYS A 25 -5.768 12.334 -9.308 1.00 0.00 O ATOM 265 CB LYS A 25 -6.665 15.473 -9.930 1.00 0.00 C ATOM 266 CG LYS A 25 -5.610 16.580 -9.878 1.00 0.00 C ATOM 267 CD LYS A 25 -6.215 17.887 -10.392 1.00 0.00 C ATOM 268 CE LYS A 25 -5.399 19.071 -9.866 1.00 0.00 C ATOM 269 NZ LYS A 25 -6.215 20.275 -10.191 1.00 0.00 N ATOM 0 H LYS A 25 -7.326 15.149 -12.199 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.014 14.266 -10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.566 15.838 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.951 15.181 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.253 16.709 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.747 16.303 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.222 17.893 -11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.252 17.973 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.229 18.987 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.419 19.118 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.721 21.129 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.355 20.332 -11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.139 20.206 -9.719 1.00 0.00 H new ATOM 283 N ILE A 26 -7.758 12.554 -10.210 1.00 0.00 N ATOM 284 CA ILE A 26 -8.237 11.293 -9.574 1.00 0.00 C ATOM 285 C ILE A 26 -7.756 10.075 -10.370 1.00 0.00 C ATOM 286 O ILE A 26 -7.310 9.094 -9.811 1.00 0.00 O ATOM 287 CB ILE A 26 -9.761 11.388 -9.611 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.218 12.577 -8.762 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.368 10.100 -9.050 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.699 12.855 -9.027 1.00 0.00 C ATOM 0 H ILE A 26 -8.446 13.038 -10.787 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.858 11.175 -8.559 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.091 11.526 -10.641 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.061 12.364 -7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.623 13.458 -9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.456 10.169 -9.077 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.043 9.252 -9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.038 9.961 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.024 13.702 -8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.843 13.086 -10.082 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.287 11.975 -8.765 1.00 0.00 H new ATOM 302 N HIS A 27 -7.847 10.130 -11.670 1.00 0.00 N ATOM 303 CA HIS A 27 -7.399 8.974 -12.499 1.00 0.00 C ATOM 304 C HIS A 27 -5.887 8.774 -12.369 1.00 0.00 C ATOM 305 O HIS A 27 -5.388 7.670 -12.452 1.00 0.00 O ATOM 306 CB HIS A 27 -7.769 9.351 -13.934 1.00 0.00 C ATOM 307 CG HIS A 27 -7.316 8.265 -14.871 1.00 0.00 C ATOM 308 ND1 HIS A 27 -8.047 7.103 -15.063 1.00 0.00 N ATOM 309 CD2 HIS A 27 -6.211 8.150 -15.677 1.00 0.00 C ATOM 310 CE1 HIS A 27 -7.378 6.346 -15.953 1.00 0.00 C ATOM 311 NE2 HIS A 27 -6.251 6.937 -16.359 1.00 0.00 N ATOM 0 H HIS A 27 -8.212 10.925 -12.195 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.866 8.040 -12.187 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.847 9.492 -14.018 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.302 10.298 -14.205 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.429 8.889 -15.768 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.712 5.378 -16.297 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.567 6.577 -17.025 1.00 0.00 H new ATOM 319 N GLU A 28 -5.152 9.834 -12.170 1.00 0.00 N ATOM 320 CA GLU A 28 -3.672 9.701 -12.041 1.00 0.00 C ATOM 321 C GLU A 28 -3.297 9.242 -10.628 1.00 0.00 C ATOM 322 O GLU A 28 -2.385 8.460 -10.442 1.00 0.00 O ATOM 323 CB GLU A 28 -3.124 11.103 -12.310 1.00 0.00 C ATOM 324 CG GLU A 28 -1.634 11.014 -12.645 1.00 0.00 C ATOM 325 CD GLU A 28 -1.449 10.235 -13.949 1.00 0.00 C ATOM 326 OE1 GLU A 28 -2.394 10.174 -14.719 1.00 0.00 O ATOM 327 OE2 GLU A 28 -0.366 9.714 -14.157 1.00 0.00 O ATOM 0 H GLU A 28 -5.511 10.785 -12.091 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.265 8.962 -12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.666 11.564 -13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.274 11.737 -11.436 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.212 12.014 -12.744 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.097 10.520 -11.835 1.00 0.00 H new ATOM 334 N LEU A 29 -3.988 9.722 -9.632 1.00 0.00 N ATOM 335 CA LEU A 29 -3.665 9.314 -8.234 1.00 0.00 C ATOM 336 C LEU A 29 -4.121 7.874 -7.978 1.00 0.00 C ATOM 337 O LEU A 29 -3.497 7.138 -7.240 1.00 0.00 O ATOM 338 CB LEU A 29 -4.443 10.288 -7.349 1.00 0.00 C ATOM 339 CG LEU A 29 -3.695 11.620 -7.273 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.559 12.651 -6.546 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.384 11.424 -6.508 1.00 0.00 C ATOM 0 H LEU A 29 -4.763 10.379 -9.724 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.594 9.345 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.443 10.443 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.565 9.870 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.480 11.974 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.025 13.600 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.494 12.791 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.775 12.298 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.850 12.372 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.600 11.070 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.767 10.689 -7.026 1.00 0.00 H new ATOM 353 N GLU A 30 -5.206 7.468 -8.578 1.00 0.00 N ATOM 354 CA GLU A 30 -5.701 6.078 -8.364 1.00 0.00 C ATOM 355 C GLU A 30 -4.658 5.060 -8.835 1.00 0.00 C ATOM 356 O GLU A 30 -4.311 4.139 -8.123 1.00 0.00 O ATOM 357 CB GLU A 30 -6.970 5.976 -9.212 1.00 0.00 C ATOM 358 CG GLU A 30 -7.558 4.569 -9.084 1.00 0.00 C ATOM 359 CD GLU A 30 -6.942 3.660 -10.150 1.00 0.00 C ATOM 360 OE1 GLU A 30 -7.051 3.993 -11.319 1.00 0.00 O ATOM 361 OE2 GLU A 30 -6.373 2.647 -9.779 1.00 0.00 O ATOM 0 H GLU A 30 -5.771 8.038 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.893 5.868 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.699 6.717 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.741 6.192 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.358 4.169 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.641 4.604 -9.202 1.00 0.00 H new ATOM 368 N GLY A 31 -4.159 5.216 -10.031 1.00 0.00 N ATOM 369 CA GLY A 31 -3.143 4.254 -10.546 1.00 0.00 C ATOM 370 C GLY A 31 -1.838 4.409 -9.763 1.00 0.00 C ATOM 371 O GLY A 31 -1.079 3.473 -9.612 1.00 0.00 O ATOM 0 H GLY A 31 -4.411 5.967 -10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.515 3.234 -10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.965 4.432 -11.606 1.00 0.00 H new ATOM 375 N LEU A 32 -1.567 5.585 -9.266 1.00 0.00 N ATOM 376 CA LEU A 32 -0.308 5.798 -8.496 1.00 0.00 C ATOM 377 C LEU A 32 -0.308 4.943 -7.227 1.00 0.00 C ATOM 378 O LEU A 32 0.728 4.523 -6.749 1.00 0.00 O ATOM 379 CB LEU A 32 -0.306 7.284 -8.142 1.00 0.00 C ATOM 380 CG LEU A 32 1.135 7.791 -8.067 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.751 7.789 -9.468 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.146 9.216 -7.510 1.00 0.00 C ATOM 0 H LEU A 32 -2.163 6.408 -9.360 1.00 0.00 H new ATOM 0 HA LEU A 32 0.576 5.514 -9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.862 7.848 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.808 7.442 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 32 1.715 7.139 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.778 8.150 -9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.744 6.775 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.171 8.440 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.173 9.578 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.566 9.867 -8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.707 9.220 -6.512 1.00 0.00 H new ATOM 394 N MET A 33 -1.462 4.684 -6.674 1.00 0.00 N ATOM 395 CA MET A 33 -1.527 3.859 -5.433 1.00 0.00 C ATOM 396 C MET A 33 -0.994 2.447 -5.701 1.00 0.00 C ATOM 397 O MET A 33 -0.061 1.995 -5.069 1.00 0.00 O ATOM 398 CB MET A 33 -3.011 3.809 -5.069 1.00 0.00 C ATOM 399 CG MET A 33 -3.358 4.995 -4.166 1.00 0.00 C ATOM 400 SD MET A 33 -4.973 5.661 -4.640 1.00 0.00 S ATOM 401 CE MET A 33 -5.982 4.343 -3.918 1.00 0.00 C ATOM 0 H MET A 33 -2.362 5.008 -7.028 1.00 0.00 H new ATOM 0 HA MET A 33 -0.921 4.278 -4.629 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.619 3.837 -5.973 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.240 2.872 -4.560 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.375 4.679 -3.123 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.594 5.768 -4.253 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.016 4.456 -4.245 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.602 3.374 -4.243 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.936 4.404 -2.831 1.00 0.00 H new ATOM 411 N MET A 34 -1.584 1.748 -6.631 1.00 0.00 N ATOM 412 CA MET A 34 -1.116 0.364 -6.936 1.00 0.00 C ATOM 413 C MET A 34 0.363 0.374 -7.333 1.00 0.00 C ATOM 414 O MET A 34 1.133 -0.465 -6.910 1.00 0.00 O ATOM 415 CB MET A 34 -1.983 -0.096 -8.109 1.00 0.00 C ATOM 416 CG MET A 34 -2.009 -1.624 -8.156 1.00 0.00 C ATOM 417 SD MET A 34 -3.642 -2.183 -8.701 1.00 0.00 S ATOM 418 CE MET A 34 -4.527 -1.832 -7.162 1.00 0.00 C ATOM 0 H MET A 34 -2.370 2.074 -7.194 1.00 0.00 H new ATOM 0 HA MET A 34 -1.205 -0.299 -6.075 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.996 0.292 -8.001 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.588 0.300 -9.044 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.241 -1.991 -8.837 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.783 -2.033 -7.171 1.00 0.00 H new ATOM 0 HE1 MET A 34 -5.532 -2.250 -7.217 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.992 -2.280 -6.325 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.590 -0.754 -7.017 1.00 0.00 H new ATOM 428 N GLN A 35 0.764 1.311 -8.147 1.00 0.00 N ATOM 429 CA GLN A 35 2.193 1.370 -8.576 1.00 0.00 C ATOM 430 C GLN A 35 3.124 1.323 -7.357 1.00 0.00 C ATOM 431 O GLN A 35 3.738 0.315 -7.072 1.00 0.00 O ATOM 432 CB GLN A 35 2.328 2.708 -9.308 1.00 0.00 C ATOM 433 CG GLN A 35 3.789 2.938 -9.700 1.00 0.00 C ATOM 434 CD GLN A 35 3.941 2.789 -11.215 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.051 1.690 -11.722 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.953 3.858 -11.965 1.00 0.00 N ATOM 0 H GLN A 35 0.165 2.040 -8.535 1.00 0.00 H new ATOM 0 HA GLN A 35 2.468 0.527 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.698 2.712 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.981 3.520 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.108 3.932 -9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.431 2.222 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.861 4.780 -11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.055 3.770 -12.976 1.00 0.00 H new ATOM 445 N HIS A 36 3.236 2.408 -6.641 1.00 0.00 N ATOM 446 CA HIS A 36 4.131 2.428 -5.446 1.00 0.00 C ATOM 447 C HIS A 36 3.832 1.234 -4.528 1.00 0.00 C ATOM 448 O HIS A 36 4.711 0.463 -4.197 1.00 0.00 O ATOM 449 CB HIS A 36 3.810 3.747 -4.744 1.00 0.00 C ATOM 450 CG HIS A 36 4.342 4.894 -5.562 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.503 4.794 -6.312 1.00 0.00 N ATOM 452 CD2 HIS A 36 3.878 6.171 -5.758 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.697 5.978 -6.919 1.00 0.00 C ATOM 454 NE2 HIS A 36 4.735 6.854 -6.615 1.00 0.00 N ATOM 0 H HIS A 36 2.747 3.283 -6.831 1.00 0.00 H new ATOM 0 HA HIS A 36 5.184 2.352 -5.715 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.733 3.849 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.255 3.759 -3.749 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.984 6.583 -5.314 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.529 6.195 -7.573 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.648 7.817 -6.941 1.00 0.00 H new ATOM 462 N ALA A 37 2.600 1.073 -4.118 1.00 0.00 N ATOM 463 CA ALA A 37 2.242 -0.075 -3.227 1.00 0.00 C ATOM 464 C ALA A 37 2.824 -1.379 -3.785 1.00 0.00 C ATOM 465 O ALA A 37 3.335 -2.204 -3.054 1.00 0.00 O ATOM 466 CB ALA A 37 0.714 -0.122 -3.242 1.00 0.00 C ATOM 0 H ALA A 37 1.824 1.688 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 37 2.638 0.044 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.369 -0.940 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.317 0.820 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.365 -0.280 -4.262 1.00 0.00 H new ATOM 472 N GLN A 38 2.759 -1.566 -5.077 1.00 0.00 N ATOM 473 CA GLN A 38 3.319 -2.809 -5.680 1.00 0.00 C ATOM 474 C GLN A 38 4.822 -2.869 -5.408 1.00 0.00 C ATOM 475 O GLN A 38 5.389 -3.927 -5.214 1.00 0.00 O ATOM 476 CB GLN A 38 3.043 -2.694 -7.179 1.00 0.00 C ATOM 477 CG GLN A 38 1.794 -3.504 -7.533 1.00 0.00 C ATOM 478 CD GLN A 38 1.632 -3.555 -9.053 1.00 0.00 C ATOM 479 OE1 GLN A 38 1.558 -2.531 -9.703 1.00 0.00 O ATOM 480 NE2 GLN A 38 1.573 -4.713 -9.652 1.00 0.00 N ATOM 0 H GLN A 38 2.342 -0.912 -5.739 1.00 0.00 H new ATOM 0 HA GLN A 38 2.875 -3.714 -5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.901 -1.649 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.899 -3.060 -7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.877 -4.514 -7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.913 -3.051 -7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.635 -5.573 -9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.465 -4.758 -10.665 1.00 0.00 H new ATOM 489 N ASN A 39 5.467 -1.735 -5.374 1.00 0.00 N ATOM 490 CA ASN A 39 6.930 -1.713 -5.091 1.00 0.00 C ATOM 491 C ASN A 39 7.160 -1.547 -3.585 1.00 0.00 C ATOM 492 O ASN A 39 8.230 -1.173 -3.147 1.00 0.00 O ATOM 493 CB ASN A 39 7.464 -0.502 -5.855 1.00 0.00 C ATOM 494 CG ASN A 39 7.666 -0.874 -7.325 1.00 0.00 C ATOM 495 OD1 ASN A 39 8.783 -0.990 -7.787 1.00 0.00 O ATOM 496 ND2 ASN A 39 6.622 -1.065 -8.086 1.00 0.00 N ATOM 0 H ASN A 39 5.043 -0.821 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 39 7.430 -2.632 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.765 0.330 -5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.407 -0.171 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.745 -1.312 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.684 -0.968 -7.698 1.00 0.00 H new ATOM 503 N LEU A 40 6.157 -1.824 -2.791 1.00 0.00 N ATOM 504 CA LEU A 40 6.296 -1.689 -1.314 1.00 0.00 C ATOM 505 C LEU A 40 6.742 -0.278 -0.935 1.00 0.00 C ATOM 506 O LEU A 40 7.294 -0.055 0.125 1.00 0.00 O ATOM 507 CB LEU A 40 7.350 -2.722 -0.911 1.00 0.00 C ATOM 508 CG LEU A 40 6.701 -4.104 -0.822 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.642 -4.731 -2.215 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.530 -4.997 0.104 1.00 0.00 C ATOM 0 H LEU A 40 5.241 -2.141 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 40 5.349 -1.857 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.160 -2.735 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.790 -2.453 0.049 1.00 0.00 H new ATOM 0 HG LEU A 40 5.691 -4.006 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.179 -5.716 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.052 -4.095 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.652 -4.830 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.068 -5.982 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.540 -5.095 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.573 -4.551 1.098 1.00 0.00 H new ATOM 522 N GLU A 41 6.490 0.682 -1.779 1.00 0.00 N ATOM 523 CA GLU A 41 6.882 2.080 -1.445 1.00 0.00 C ATOM 524 C GLU A 41 6.034 2.566 -0.270 1.00 0.00 C ATOM 525 O GLU A 41 6.534 3.108 0.696 1.00 0.00 O ATOM 526 CB GLU A 41 6.580 2.892 -2.705 1.00 0.00 C ATOM 527 CG GLU A 41 7.718 2.714 -3.712 1.00 0.00 C ATOM 528 CD GLU A 41 8.660 3.918 -3.638 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.166 4.183 -2.561 1.00 0.00 O ATOM 530 OE2 GLU A 41 8.859 4.553 -4.660 1.00 0.00 O ATOM 0 H GLU A 41 6.032 0.561 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 41 7.929 2.172 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.637 2.565 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.465 3.946 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.266 1.796 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.314 2.617 -4.720 1.00 0.00 H new ATOM 537 N PHE A 42 4.749 2.354 -0.348 1.00 0.00 N ATOM 538 CA PHE A 42 3.839 2.775 0.755 1.00 0.00 C ATOM 539 C PHE A 42 4.115 4.217 1.181 1.00 0.00 C ATOM 540 O PHE A 42 4.918 4.902 0.586 1.00 0.00 O ATOM 541 CB PHE A 42 4.136 1.812 1.905 1.00 0.00 C ATOM 542 CG PHE A 42 3.277 0.576 1.772 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.895 0.696 1.503 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.857 -0.704 1.925 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.094 -0.461 1.386 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.055 -1.861 1.807 1.00 0.00 C ATOM 547 CZ PHE A 42 1.674 -1.740 1.538 1.00 0.00 C ATOM 0 H PHE A 42 4.286 1.903 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 42 2.794 2.742 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.190 1.536 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.941 2.300 2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.451 1.674 1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.913 -0.797 2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.038 -0.368 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.498 -2.839 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.062 -2.625 1.449 1.00 0.00 H new ATOM 557 N GLU A 43 3.420 4.665 2.200 1.00 0.00 N ATOM 558 CA GLU A 43 3.558 6.061 2.716 1.00 0.00 C ATOM 559 C GLU A 43 3.069 7.036 1.655 1.00 0.00 C ATOM 560 O GLU A 43 2.094 7.736 1.832 1.00 0.00 O ATOM 561 CB GLU A 43 5.046 6.273 3.021 1.00 0.00 C ATOM 562 CG GLU A 43 5.263 7.718 3.468 1.00 0.00 C ATOM 563 CD GLU A 43 6.758 8.041 3.451 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.240 8.466 2.413 1.00 0.00 O ATOM 565 OE2 GLU A 43 7.396 7.857 4.474 1.00 0.00 O ATOM 0 H GLU A 43 2.741 4.100 2.710 1.00 0.00 H new ATOM 0 HA GLU A 43 2.965 6.226 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.372 5.585 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.646 6.059 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.726 8.398 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.861 7.864 4.470 1.00 0.00 H new ATOM 572 N GLU A 44 3.733 7.061 0.550 1.00 0.00 N ATOM 573 CA GLU A 44 3.318 7.960 -0.561 1.00 0.00 C ATOM 574 C GLU A 44 2.198 7.302 -1.371 1.00 0.00 C ATOM 575 O GLU A 44 1.362 7.966 -1.951 1.00 0.00 O ATOM 576 CB GLU A 44 4.575 8.150 -1.417 1.00 0.00 C ATOM 577 CG GLU A 44 4.989 6.815 -2.042 1.00 0.00 C ATOM 578 CD GLU A 44 6.109 7.052 -3.056 1.00 0.00 C ATOM 579 OE1 GLU A 44 5.906 7.848 -3.958 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.151 6.434 -2.913 1.00 0.00 O ATOM 0 H GLU A 44 4.558 6.493 0.358 1.00 0.00 H new ATOM 0 HA GLU A 44 2.933 8.915 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.384 8.884 -2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.387 8.541 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.326 6.127 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.133 6.350 -2.531 1.00 0.00 H new ATOM 587 N ALA A 45 2.186 5.994 -1.425 1.00 0.00 N ATOM 588 CA ALA A 45 1.133 5.285 -2.209 1.00 0.00 C ATOM 589 C ALA A 45 -0.172 5.183 -1.420 1.00 0.00 C ATOM 590 O ALA A 45 -1.241 5.445 -1.936 1.00 0.00 O ATOM 591 CB ALA A 45 1.706 3.892 -2.459 1.00 0.00 C ATOM 0 H ALA A 45 2.861 5.387 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 45 0.894 5.814 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.991 3.302 -3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.638 3.977 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.899 3.401 -1.505 1.00 0.00 H new ATOM 597 N ALA A 46 -0.101 4.785 -0.181 1.00 0.00 N ATOM 598 CA ALA A 46 -1.348 4.646 0.623 1.00 0.00 C ATOM 599 C ALA A 46 -1.905 6.021 1.004 1.00 0.00 C ATOM 600 O ALA A 46 -3.101 6.228 1.016 1.00 0.00 O ATOM 601 CB ALA A 46 -0.932 3.859 1.865 1.00 0.00 C ATOM 0 H ALA A 46 0.762 4.551 0.309 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.139 4.141 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.798 3.714 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.537 2.889 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.164 4.412 2.406 1.00 0.00 H new ATOM 607 N GLN A 47 -1.058 6.966 1.310 1.00 0.00 N ATOM 608 CA GLN A 47 -1.564 8.319 1.683 1.00 0.00 C ATOM 609 C GLN A 47 -2.516 8.845 0.604 1.00 0.00 C ATOM 610 O GLN A 47 -3.349 9.693 0.856 1.00 0.00 O ATOM 611 CB GLN A 47 -0.322 9.205 1.772 1.00 0.00 C ATOM 612 CG GLN A 47 0.261 9.126 3.185 1.00 0.00 C ATOM 613 CD GLN A 47 -0.618 9.928 4.146 1.00 0.00 C ATOM 614 OE1 GLN A 47 -1.816 10.010 3.967 1.00 0.00 O ATOM 615 NE2 GLN A 47 -0.067 10.529 5.166 1.00 0.00 N ATOM 0 H GLN A 47 -0.043 6.862 1.318 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.119 8.302 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.421 8.883 1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.580 10.236 1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.318 8.087 3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.278 9.518 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.940 10.460 5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.643 11.068 5.813 1.00 0.00 H new ATOM 624 N ILE A 48 -2.398 8.348 -0.597 1.00 0.00 N ATOM 625 CA ILE A 48 -3.294 8.821 -1.691 1.00 0.00 C ATOM 626 C ILE A 48 -4.747 8.446 -1.389 1.00 0.00 C ATOM 627 O ILE A 48 -5.670 9.111 -1.818 1.00 0.00 O ATOM 628 CB ILE A 48 -2.801 8.102 -2.946 1.00 0.00 C ATOM 629 CG1 ILE A 48 -1.370 8.545 -3.257 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.709 8.451 -4.126 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.755 7.601 -4.292 1.00 0.00 C ATOM 0 H ILE A 48 -1.720 7.635 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.267 9.905 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.822 7.025 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.369 9.567 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.771 8.542 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.356 7.938 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.729 8.137 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.689 9.528 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.264 7.918 -4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.742 6.586 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.349 7.626 -5.206 1.00 0.00 H new ATOM 643 N ARG A 49 -4.964 7.388 -0.655 1.00 0.00 N ATOM 644 CA ARG A 49 -6.362 6.983 -0.333 1.00 0.00 C ATOM 645 C ARG A 49 -7.113 8.158 0.303 1.00 0.00 C ATOM 646 O ARG A 49 -8.321 8.250 0.229 1.00 0.00 O ATOM 647 CB ARG A 49 -6.231 5.823 0.658 1.00 0.00 C ATOM 648 CG ARG A 49 -5.587 6.317 1.956 1.00 0.00 C ATOM 649 CD ARG A 49 -6.677 6.656 2.973 1.00 0.00 C ATOM 650 NE ARG A 49 -6.025 7.586 3.937 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.244 7.457 5.217 1.00 0.00 C ATOM 652 NH1 ARG A 49 -5.264 7.136 6.018 1.00 0.00 N ATOM 653 NH2 ARG A 49 -7.443 7.649 5.697 1.00 0.00 N ATOM 0 H ARG A 49 -4.236 6.789 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.922 6.688 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.213 5.399 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.627 5.027 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.925 5.551 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.974 7.196 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.535 7.124 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.042 5.760 3.474 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.408 8.323 3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.327 6.986 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.435 7.035 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.209 7.900 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.614 7.548 6.697 1.00 0.00 H new ATOM 667 N ASP A 50 -6.400 9.057 0.926 1.00 0.00 N ATOM 668 CA ASP A 50 -7.068 10.226 1.566 1.00 0.00 C ATOM 669 C ASP A 50 -7.396 11.285 0.510 1.00 0.00 C ATOM 670 O ASP A 50 -8.434 11.915 0.551 1.00 0.00 O ATOM 671 CB ASP A 50 -6.047 10.764 2.567 1.00 0.00 C ATOM 672 CG ASP A 50 -6.541 10.503 3.991 1.00 0.00 C ATOM 673 OD1 ASP A 50 -7.746 10.481 4.185 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.707 10.328 4.865 1.00 0.00 O ATOM 0 H ASP A 50 -5.385 9.032 1.019 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.007 9.956 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.081 10.283 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.899 11.833 2.412 1.00 0.00 H new ATOM 679 N GLN A 51 -6.518 11.487 -0.435 1.00 0.00 N ATOM 680 CA GLN A 51 -6.782 12.505 -1.492 1.00 0.00 C ATOM 681 C GLN A 51 -7.802 11.969 -2.499 1.00 0.00 C ATOM 682 O GLN A 51 -8.736 12.650 -2.873 1.00 0.00 O ATOM 683 CB GLN A 51 -5.430 12.735 -2.167 1.00 0.00 C ATOM 684 CG GLN A 51 -4.419 13.233 -1.132 1.00 0.00 C ATOM 685 CD GLN A 51 -3.024 13.273 -1.758 1.00 0.00 C ATOM 686 OE1 GLN A 51 -2.037 13.058 -1.085 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.901 13.544 -3.029 1.00 0.00 N ATOM 0 H GLN A 51 -5.630 10.992 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.195 13.427 -1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.076 11.809 -2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.532 13.464 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.700 14.226 -0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.420 12.576 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.730 13.725 -3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.975 13.575 -3.457 1.00 0.00 H new ATOM 696 N LEU A 52 -7.632 10.753 -2.940 1.00 0.00 N ATOM 697 CA LEU A 52 -8.594 10.175 -3.922 1.00 0.00 C ATOM 698 C LEU A 52 -10.010 10.181 -3.339 1.00 0.00 C ATOM 699 O LEU A 52 -10.978 10.408 -4.037 1.00 0.00 O ATOM 700 CB LEU A 52 -8.112 8.742 -4.153 1.00 0.00 C ATOM 701 CG LEU A 52 -8.132 8.430 -5.650 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.560 8.569 -6.182 1.00 0.00 C ATOM 703 CD2 LEU A 52 -7.217 9.410 -6.388 1.00 0.00 C ATOM 0 H LEU A 52 -6.869 10.135 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.631 10.745 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.103 8.619 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.752 8.041 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.781 7.411 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.574 8.347 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.213 7.872 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.911 9.588 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.231 9.188 -7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.568 10.429 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.199 9.312 -6.010 1.00 0.00 H new ATOM 715 N HIS A 53 -10.138 9.933 -2.064 1.00 0.00 N ATOM 716 CA HIS A 53 -11.492 9.928 -1.439 1.00 0.00 C ATOM 717 C HIS A 53 -12.037 11.356 -1.353 1.00 0.00 C ATOM 718 O HIS A 53 -13.208 11.598 -1.569 1.00 0.00 O ATOM 719 CB HIS A 53 -11.281 9.350 -0.039 1.00 0.00 C ATOM 720 CG HIS A 53 -12.520 8.612 0.391 1.00 0.00 C ATOM 721 ND1 HIS A 53 -13.790 9.142 0.226 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.699 7.386 0.981 1.00 0.00 C ATOM 723 CE1 HIS A 53 -14.669 8.245 0.708 1.00 0.00 C ATOM 724 NE2 HIS A 53 -14.057 7.156 1.180 1.00 0.00 N ATOM 0 H HIS A 53 -9.365 9.734 -1.429 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.211 9.346 -2.015 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.424 8.676 -0.038 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.058 10.150 0.667 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -14.017 10.047 -0.186 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.906 6.703 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -15.739 8.388 0.713 1.00 0.00 H new ATOM 732 N GLN A 54 -11.196 12.304 -1.042 1.00 0.00 N ATOM 733 CA GLN A 54 -11.667 13.716 -0.947 1.00 0.00 C ATOM 734 C GLN A 54 -11.973 14.261 -2.345 1.00 0.00 C ATOM 735 O GLN A 54 -12.927 14.987 -2.543 1.00 0.00 O ATOM 736 CB GLN A 54 -10.504 14.481 -0.315 1.00 0.00 C ATOM 737 CG GLN A 54 -10.551 14.317 1.206 1.00 0.00 C ATOM 738 CD GLN A 54 -10.873 15.665 1.855 1.00 0.00 C ATOM 739 OE1 GLN A 54 -10.015 16.518 1.966 1.00 0.00 O ATOM 740 NE2 GLN A 54 -12.081 15.895 2.289 1.00 0.00 N ATOM 0 H GLN A 54 -10.204 12.163 -0.850 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.581 13.810 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.556 14.108 -0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.563 15.537 -0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.306 13.580 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.594 13.944 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.801 15.179 2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.306 16.791 2.722 1.00 0.00 H new ATOM 749 N LEU A 55 -11.174 13.912 -3.315 1.00 0.00 N ATOM 750 CA LEU A 55 -11.422 14.407 -4.699 1.00 0.00 C ATOM 751 C LEU A 55 -12.797 13.941 -5.184 1.00 0.00 C ATOM 752 O LEU A 55 -13.428 14.583 -6.001 1.00 0.00 O ATOM 753 CB LEU A 55 -10.315 13.780 -5.546 1.00 0.00 C ATOM 754 CG LEU A 55 -8.993 14.500 -5.272 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.829 13.644 -5.775 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.987 15.846 -6.001 1.00 0.00 C ATOM 0 H LEU A 55 -10.360 13.306 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.414 15.495 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.219 12.720 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.568 13.851 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.885 14.664 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.888 14.158 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.833 12.685 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.936 13.479 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.046 16.361 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.096 15.680 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.815 16.457 -5.643 1.00 0.00 H new ATOM 768 N ARG A 56 -13.267 12.833 -4.681 1.00 0.00 N ATOM 769 CA ARG A 56 -14.602 12.327 -5.105 1.00 0.00 C ATOM 770 C ARG A 56 -15.682 13.343 -4.715 1.00 0.00 C ATOM 771 O ARG A 56 -16.260 14.004 -5.554 1.00 0.00 O ATOM 772 CB ARG A 56 -14.772 10.999 -4.345 1.00 0.00 C ATOM 773 CG ARG A 56 -16.249 10.573 -4.297 1.00 0.00 C ATOM 774 CD ARG A 56 -16.864 10.648 -5.698 1.00 0.00 C ATOM 775 NE ARG A 56 -17.735 9.445 -5.802 1.00 0.00 N ATOM 776 CZ ARG A 56 -18.854 9.505 -6.469 1.00 0.00 C ATOM 777 NH1 ARG A 56 -19.995 9.449 -5.838 1.00 0.00 N ATOM 778 NH2 ARG A 56 -18.833 9.622 -7.769 1.00 0.00 N ATOM 0 H ARG A 56 -12.783 12.255 -3.994 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.687 12.181 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.182 10.221 -4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.388 11.105 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.330 9.557 -3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.800 11.220 -3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.440 11.564 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.093 10.645 -6.468 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.456 8.573 -5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.012 9.358 -4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.870 9.496 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.942 9.666 -8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.708 9.669 -8.291 1.00 0.00 H new ATOM 792 N GLU A 57 -15.950 13.469 -3.446 1.00 0.00 N ATOM 793 CA GLU A 57 -16.988 14.443 -2.991 1.00 0.00 C ATOM 794 C GLU A 57 -16.719 15.819 -3.604 1.00 0.00 C ATOM 795 O GLU A 57 -17.628 16.531 -3.986 1.00 0.00 O ATOM 796 CB GLU A 57 -16.844 14.503 -1.469 1.00 0.00 C ATOM 797 CG GLU A 57 -16.953 13.093 -0.885 1.00 0.00 C ATOM 798 CD GLU A 57 -17.377 13.178 0.582 1.00 0.00 C ATOM 799 OE1 GLU A 57 -18.267 13.959 0.876 1.00 0.00 O ATOM 800 OE2 GLU A 57 -16.804 12.462 1.386 1.00 0.00 O ATOM 0 H GLU A 57 -15.496 12.940 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.992 14.145 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.884 14.944 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.618 15.143 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.679 12.509 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.996 12.579 -0.968 1.00 0.00 H new ATOM 807 N LEU A 58 -15.474 16.196 -3.705 1.00 0.00 N ATOM 808 CA LEU A 58 -15.140 17.523 -4.297 1.00 0.00 C ATOM 809 C LEU A 58 -15.759 17.647 -5.693 1.00 0.00 C ATOM 810 O LEU A 58 -15.957 18.733 -6.200 1.00 0.00 O ATOM 811 CB LEU A 58 -13.613 17.546 -4.383 1.00 0.00 C ATOM 812 CG LEU A 58 -13.045 18.272 -3.163 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.540 18.012 -3.068 1.00 0.00 C ATOM 814 CD2 LEU A 58 -13.294 19.775 -3.303 1.00 0.00 C ATOM 0 H LEU A 58 -14.673 15.642 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.526 18.351 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.225 16.528 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.297 18.047 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.535 17.904 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.136 18.530 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.361 16.941 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.050 18.380 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.889 20.293 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.804 20.142 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.366 19.962 -3.370 1.00 0.00 H new ATOM 826 N PHE A 59 -16.068 16.541 -6.317 1.00 0.00 N ATOM 827 CA PHE A 59 -16.677 16.592 -7.680 1.00 0.00 C ATOM 828 C PHE A 59 -17.863 17.562 -7.696 1.00 0.00 C ATOM 829 O PHE A 59 -18.011 18.363 -8.598 1.00 0.00 O ATOM 830 CB PHE A 59 -17.144 15.159 -7.952 1.00 0.00 C ATOM 831 CG PHE A 59 -17.916 15.109 -9.250 1.00 0.00 C ATOM 832 CD1 PHE A 59 -17.307 15.530 -10.453 1.00 0.00 C ATOM 833 CD2 PHE A 59 -19.249 14.640 -9.259 1.00 0.00 C ATOM 834 CE1 PHE A 59 -18.031 15.483 -11.666 1.00 0.00 C ATOM 835 CE2 PHE A 59 -19.973 14.592 -10.472 1.00 0.00 C ATOM 836 CZ PHE A 59 -19.364 15.013 -11.675 1.00 0.00 C ATOM 0 H PHE A 59 -15.925 15.603 -5.942 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.976 16.944 -8.437 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.285 14.490 -8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.771 14.809 -7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -16.288 15.888 -10.446 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -19.715 14.318 -8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -17.566 15.806 -12.586 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -20.992 14.233 -10.479 1.00 0.00 H new ATOM 0 HZ PHE A 59 -19.917 14.976 -12.602 1.00 0.00 H new ATOM 846 N ILE A 60 -18.708 17.497 -6.704 1.00 0.00 N ATOM 847 CA ILE A 60 -19.880 18.417 -6.663 1.00 0.00 C ATOM 848 C ILE A 60 -19.410 19.859 -6.458 1.00 0.00 C ATOM 849 O ILE A 60 -19.952 20.786 -7.027 1.00 0.00 O ATOM 850 CB ILE A 60 -20.711 17.947 -5.469 1.00 0.00 C ATOM 851 CG1 ILE A 60 -21.064 16.468 -5.645 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.998 18.770 -5.386 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.426 15.653 -4.518 1.00 0.00 C ATOM 0 H ILE A 60 -18.638 16.847 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.454 18.399 -7.589 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.136 18.079 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.146 16.338 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.709 16.111 -6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.590 18.435 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.749 19.824 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.573 18.639 -6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.677 14.600 -4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.343 15.774 -4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.802 16.004 -3.557 1.00 0.00 H new ATOM 865 N ALA A 61 -18.403 20.055 -5.651 1.00 0.00 N ATOM 866 CA ALA A 61 -17.897 21.436 -5.413 1.00 0.00 C ATOM 867 C ALA A 61 -17.379 22.039 -6.723 1.00 0.00 C ATOM 868 O ALA A 61 -17.294 23.241 -6.873 1.00 0.00 O ATOM 869 CB ALA A 61 -16.755 21.274 -4.410 1.00 0.00 C ATOM 0 H ALA A 61 -17.909 19.319 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.674 22.103 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.329 22.251 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -17.137 20.823 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.984 20.632 -4.837 1.00 0.00 H new ATOM 875 N ALA A 62 -17.034 21.210 -7.671 1.00 0.00 N ATOM 876 CA ALA A 62 -16.522 21.735 -8.970 1.00 0.00 C ATOM 877 C ALA A 62 -17.623 21.676 -10.033 1.00 0.00 C ATOM 878 O ALA A 62 -18.118 22.690 -10.485 1.00 0.00 O ATOM 879 CB ALA A 62 -15.366 20.808 -9.344 1.00 0.00 C ATOM 0 H ALA A 62 -17.084 20.194 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 62 -16.203 22.775 -8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.934 21.129 -10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.603 20.846 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.735 19.787 -9.441 1.00 0.00 H new ATOM 1059 N PRO B 19 14.944 -18.850 11.676 1.00 0.00 N ATOM 1060 CA PRO B 19 14.636 -19.719 12.833 1.00 0.00 C ATOM 1061 C PRO B 19 13.178 -20.209 12.802 1.00 0.00 C ATOM 1062 O PRO B 19 12.582 -20.450 13.832 1.00 0.00 O ATOM 1063 CB PRO B 19 14.870 -18.801 14.027 1.00 0.00 C ATOM 1064 CG PRO B 19 14.678 -17.403 13.513 1.00 0.00 C ATOM 1065 CD PRO B 19 14.767 -17.433 12.004 1.00 0.00 C ATOM 0 HA PRO B 19 15.244 -20.623 12.853 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.169 -19.021 14.832 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.873 -18.934 14.432 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.710 -17.013 13.828 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.439 -16.740 13.925 1.00 0.00 H new ATOM 0 HD2 PRO B 19 13.865 -17.029 11.545 1.00 0.00 H new ATOM 0 HD3 PRO B 19 15.604 -16.834 11.644 1.00 0.00 H new ATOM 1073 N LYS B 20 12.607 -20.371 11.632 1.00 0.00 N ATOM 1074 CA LYS B 20 11.192 -20.861 11.522 1.00 0.00 C ATOM 1075 C LYS B 20 10.203 -19.865 12.147 1.00 0.00 C ATOM 1076 O LYS B 20 9.417 -19.249 11.455 1.00 0.00 O ATOM 1077 CB LYS B 20 11.157 -22.199 12.270 1.00 0.00 C ATOM 1078 CG LYS B 20 9.887 -22.962 11.889 1.00 0.00 C ATOM 1079 CD LYS B 20 8.762 -22.595 12.858 1.00 0.00 C ATOM 1080 CE LYS B 20 7.704 -23.701 12.855 1.00 0.00 C ATOM 1081 NZ LYS B 20 6.783 -23.355 13.974 1.00 0.00 N ATOM 0 H LYS B 20 13.064 -20.183 10.739 1.00 0.00 H new ATOM 0 HA LYS B 20 10.895 -20.971 10.479 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.038 -22.790 12.021 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.182 -22.027 13.346 1.00 0.00 H new ATOM 0 HG2 LYS B 20 9.596 -22.718 10.867 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.072 -24.036 11.920 1.00 0.00 H new ATOM 0 HD2 LYS B 20 9.162 -22.463 13.863 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.312 -21.646 12.567 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.173 -23.737 11.904 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.157 -24.681 13.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 6.029 -24.068 14.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 7.315 -23.335 14.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.362 -22.420 13.800 1.00 0.00 H new ATOM 1095 N ALA B 21 10.223 -19.712 13.444 1.00 0.00 N ATOM 1096 CA ALA B 21 9.273 -18.767 14.111 1.00 0.00 C ATOM 1097 C ALA B 21 9.241 -17.418 13.384 1.00 0.00 C ATOM 1098 O ALA B 21 8.191 -16.889 13.082 1.00 0.00 O ATOM 1099 CB ALA B 21 9.818 -18.596 15.529 1.00 0.00 C ATOM 0 H ALA B 21 10.858 -20.201 14.075 1.00 0.00 H new ATOM 0 HA ALA B 21 8.251 -19.147 14.103 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.175 -17.915 16.086 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.841 -19.564 16.029 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.827 -18.187 15.484 1.00 0.00 H new ATOM 1105 N LEU B 22 10.385 -16.863 13.097 1.00 0.00 N ATOM 1106 CA LEU B 22 10.421 -15.553 12.385 1.00 0.00 C ATOM 1107 C LEU B 22 10.220 -15.785 10.892 1.00 0.00 C ATOM 1108 O LEU B 22 9.572 -15.020 10.207 1.00 0.00 O ATOM 1109 CB LEU B 22 11.818 -14.988 12.649 1.00 0.00 C ATOM 1110 CG LEU B 22 11.869 -14.379 14.049 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.705 -15.487 15.087 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.217 -13.686 14.252 1.00 0.00 C ATOM 0 H LEU B 22 11.297 -17.259 13.324 1.00 0.00 H new ATOM 0 HA LEU B 22 9.641 -14.872 12.725 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.564 -15.778 12.558 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.062 -14.231 11.903 1.00 0.00 H new ATOM 0 HG LEU B 22 11.066 -13.651 14.162 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.741 -15.056 16.088 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.746 -15.984 14.940 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.511 -16.212 14.975 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.256 -13.251 15.251 1.00 0.00 H new ATOM 0 HD22 LEU B 22 14.021 -14.414 14.142 1.00 0.00 H new ATOM 0 HD23 LEU B 22 13.337 -12.899 13.508 1.00 0.00 H new ATOM 1124 N GLN B 23 10.783 -16.844 10.390 1.00 0.00 N ATOM 1125 CA GLN B 23 10.643 -17.154 8.936 1.00 0.00 C ATOM 1126 C GLN B 23 9.172 -17.099 8.512 1.00 0.00 C ATOM 1127 O GLN B 23 8.811 -16.416 7.574 1.00 0.00 O ATOM 1128 CB GLN B 23 11.191 -18.572 8.779 1.00 0.00 C ATOM 1129 CG GLN B 23 11.417 -18.870 7.295 1.00 0.00 C ATOM 1130 CD GLN B 23 10.789 -20.220 6.944 1.00 0.00 C ATOM 1131 OE1 GLN B 23 10.746 -21.115 7.764 1.00 0.00 O ATOM 1132 NE2 GLN B 23 10.298 -20.407 5.749 1.00 0.00 N ATOM 0 H GLN B 23 11.338 -17.514 10.923 1.00 0.00 H new ATOM 0 HA GLN B 23 11.176 -16.436 8.313 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.127 -18.675 9.328 1.00 0.00 H new ATOM 0 HB3 GLN B 23 10.492 -19.293 9.203 1.00 0.00 H new ATOM 0 HG2 GLN B 23 10.977 -18.082 6.684 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.484 -18.885 7.075 1.00 0.00 H new ATOM 0 HE21 GLN B 23 10.334 -19.656 5.060 1.00 0.00 H new ATOM 0 HE22 GLN B 23 9.879 -21.304 5.505 1.00 0.00 H new ATOM 1141 N GLN B 24 8.319 -17.813 9.195 1.00 0.00 N ATOM 1142 CA GLN B 24 6.873 -17.803 8.828 1.00 0.00 C ATOM 1143 C GLN B 24 6.267 -16.423 9.091 1.00 0.00 C ATOM 1144 O GLN B 24 5.490 -15.915 8.306 1.00 0.00 O ATOM 1145 CB GLN B 24 6.228 -18.853 9.733 1.00 0.00 C ATOM 1146 CG GLN B 24 4.742 -18.978 9.391 1.00 0.00 C ATOM 1147 CD GLN B 24 3.941 -17.967 10.214 1.00 0.00 C ATOM 1148 OE1 GLN B 24 4.373 -17.548 11.270 1.00 0.00 O ATOM 1149 NE2 GLN B 24 2.784 -17.555 9.774 1.00 0.00 N ATOM 0 H GLN B 24 8.560 -18.403 9.991 1.00 0.00 H new ATOM 0 HA GLN B 24 6.715 -18.021 7.772 1.00 0.00 H new ATOM 0 HB2 GLN B 24 6.724 -19.815 9.603 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.349 -18.571 10.779 1.00 0.00 H new ATOM 0 HG2 GLN B 24 4.587 -18.801 8.327 1.00 0.00 H new ATOM 0 HG3 GLN B 24 4.394 -19.990 9.600 1.00 0.00 H new ATOM 0 HE21 GLN B 24 2.421 -17.906 8.888 1.00 0.00 H new ATOM 0 HE22 GLN B 24 2.243 -16.882 10.316 1.00 0.00 H new ATOM 1158 N LYS B 25 6.610 -15.812 10.192 1.00 0.00 N ATOM 1159 CA LYS B 25 6.049 -14.467 10.506 1.00 0.00 C ATOM 1160 C LYS B 25 6.469 -13.450 9.440 1.00 0.00 C ATOM 1161 O LYS B 25 5.705 -12.587 9.056 1.00 0.00 O ATOM 1162 CB LYS B 25 6.647 -14.096 11.863 1.00 0.00 C ATOM 1163 CG LYS B 25 5.615 -14.347 12.964 1.00 0.00 C ATOM 1164 CD LYS B 25 6.234 -15.223 14.055 1.00 0.00 C ATOM 1165 CE LYS B 25 5.451 -15.046 15.359 1.00 0.00 C ATOM 1166 NZ LYS B 25 6.282 -15.713 16.399 1.00 0.00 N ATOM 0 H LYS B 25 7.255 -16.186 10.888 1.00 0.00 H new ATOM 0 HA LYS B 25 4.959 -14.472 10.526 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.544 -14.686 12.050 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.948 -13.048 11.865 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.283 -13.400 13.389 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.734 -14.835 12.547 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.219 -16.269 13.748 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.279 -14.950 14.206 1.00 0.00 H new ATOM 0 HE2 LYS B 25 5.301 -13.991 15.590 1.00 0.00 H new ATOM 0 HE3 LYS B 25 4.463 -15.501 15.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.811 -15.634 17.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 6.402 -16.717 16.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 7.214 -15.254 16.445 1.00 0.00 H new ATOM 1180 N ILE B 26 7.679 -13.544 8.961 1.00 0.00 N ATOM 1181 CA ILE B 26 8.148 -12.581 7.923 1.00 0.00 C ATOM 1182 C ILE B 26 7.628 -12.988 6.541 1.00 0.00 C ATOM 1183 O ILE B 26 7.175 -12.164 5.771 1.00 0.00 O ATOM 1184 CB ILE B 26 9.673 -12.664 7.968 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.168 -12.198 9.338 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.266 -11.767 6.879 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.649 -12.553 9.494 1.00 0.00 C ATOM 0 H ILE B 26 8.364 -14.246 9.243 1.00 0.00 H new ATOM 0 HA ILE B 26 7.787 -11.569 8.108 1.00 0.00 H new ATOM 0 HB ILE B 26 9.986 -13.694 7.799 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.028 -11.122 9.440 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.585 -12.671 10.128 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.354 -11.826 6.911 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.913 -12.099 5.902 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.954 -10.736 7.047 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.002 -12.221 10.470 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.775 -13.632 9.410 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.226 -12.059 8.712 1.00 0.00 H new ATOM 1199 N HIS B 27 7.694 -14.251 6.219 1.00 0.00 N ATOM 1200 CA HIS B 27 7.207 -14.707 4.885 1.00 0.00 C ATOM 1201 C HIS B 27 5.694 -14.504 4.767 1.00 0.00 C ATOM 1202 O HIS B 27 5.173 -14.260 3.698 1.00 0.00 O ATOM 1203 CB HIS B 27 7.554 -16.195 4.827 1.00 0.00 C ATOM 1204 CG HIS B 27 7.062 -16.776 3.530 1.00 0.00 C ATOM 1205 ND1 HIS B 27 7.766 -16.637 2.344 1.00 0.00 N ATOM 1206 CD2 HIS B 27 5.938 -17.498 3.217 1.00 0.00 C ATOM 1207 CE1 HIS B 27 7.066 -17.262 1.381 1.00 0.00 C ATOM 1208 NE2 HIS B 27 5.942 -17.805 1.859 1.00 0.00 N ATOM 0 H HIS B 27 8.064 -14.987 6.821 1.00 0.00 H new ATOM 0 HA HIS B 27 7.662 -14.147 4.068 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.632 -16.331 4.913 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.099 -16.718 5.668 1.00 0.00 H new ATOM 0 HD2 HIS B 27 5.167 -17.785 3.917 1.00 0.00 H new ATOM 0 HE1 HIS B 27 7.374 -17.318 0.347 1.00 0.00 H new ATOM 0 HE2 HIS B 27 5.239 -18.331 1.340 1.00 0.00 H new ATOM 1216 N GLU B 28 4.983 -14.606 5.857 1.00 0.00 N ATOM 1217 CA GLU B 28 3.503 -14.423 5.803 1.00 0.00 C ATOM 1218 C GLU B 28 3.149 -12.933 5.774 1.00 0.00 C ATOM 1219 O GLU B 28 2.227 -12.518 5.100 1.00 0.00 O ATOM 1220 CB GLU B 28 2.977 -15.075 7.082 1.00 0.00 C ATOM 1221 CG GLU B 28 1.478 -15.348 6.935 1.00 0.00 C ATOM 1222 CD GLU B 28 1.253 -16.372 5.821 1.00 0.00 C ATOM 1223 OE1 GLU B 28 2.180 -17.106 5.520 1.00 0.00 O ATOM 1224 OE2 GLU B 28 0.156 -16.406 5.288 1.00 0.00 O ATOM 0 H GLU B 28 5.362 -14.808 6.782 1.00 0.00 H new ATOM 0 HA GLU B 28 3.066 -14.867 4.908 1.00 0.00 H new ATOM 0 HB2 GLU B 28 3.510 -16.006 7.274 1.00 0.00 H new ATOM 0 HB3 GLU B 28 3.157 -14.422 7.936 1.00 0.00 H new ATOM 0 HG2 GLU B 28 1.072 -15.722 7.875 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.950 -14.423 6.705 1.00 0.00 H new ATOM 1231 N LEU B 29 3.870 -12.126 6.503 1.00 0.00 N ATOM 1232 CA LEU B 29 3.568 -10.664 6.520 1.00 0.00 C ATOM 1233 C LEU B 29 4.001 -10.014 5.203 1.00 0.00 C ATOM 1234 O LEU B 29 3.379 -9.087 4.724 1.00 0.00 O ATOM 1235 CB LEU B 29 4.382 -10.107 7.687 1.00 0.00 C ATOM 1236 CG LEU B 29 3.661 -10.405 9.003 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.559 -10.016 10.178 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.362 -9.597 9.065 1.00 0.00 C ATOM 0 H LEU B 29 4.655 -12.414 7.088 1.00 0.00 H new ATOM 0 HA LEU B 29 2.502 -10.465 6.633 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.376 -10.553 7.696 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.516 -9.032 7.570 1.00 0.00 H new ATOM 0 HG LEU B 29 3.432 -11.469 9.059 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.045 -10.229 11.115 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.485 -10.590 10.134 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.789 -8.952 10.124 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.847 -9.808 10.002 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.592 -8.533 9.009 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.721 -9.874 8.228 1.00 0.00 H new ATOM 1250 N GLU B 30 5.067 -10.488 4.617 1.00 0.00 N ATOM 1251 CA GLU B 30 5.540 -9.892 3.334 1.00 0.00 C ATOM 1252 C GLU B 30 4.469 -10.038 2.249 1.00 0.00 C ATOM 1253 O GLU B 30 4.119 -9.087 1.579 1.00 0.00 O ATOM 1254 CB GLU B 30 6.788 -10.694 2.964 1.00 0.00 C ATOM 1255 CG GLU B 30 7.352 -10.176 1.639 1.00 0.00 C ATOM 1256 CD GLU B 30 6.698 -10.929 0.477 1.00 0.00 C ATOM 1257 OE1 GLU B 30 6.789 -12.145 0.460 1.00 0.00 O ATOM 1258 OE2 GLU B 30 6.118 -10.275 -0.373 1.00 0.00 O ATOM 0 H GLU B 30 5.630 -11.261 4.970 1.00 0.00 H new ATOM 0 HA GLU B 30 5.749 -8.826 3.428 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.537 -10.605 3.750 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.541 -11.752 2.878 1.00 0.00 H new ATOM 0 HG2 GLU B 30 7.164 -9.106 1.545 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.433 -10.313 1.613 1.00 0.00 H new ATOM 1265 N GLY B 31 3.948 -11.220 2.068 1.00 0.00 N ATOM 1266 CA GLY B 31 2.903 -11.424 1.024 1.00 0.00 C ATOM 1267 C GLY B 31 1.618 -10.700 1.428 1.00 0.00 C ATOM 1268 O GLY B 31 0.844 -10.276 0.592 1.00 0.00 O ATOM 0 H GLY B 31 4.200 -12.054 2.598 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.257 -11.048 0.064 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.707 -12.489 0.896 1.00 0.00 H new ATOM 1272 N LEU B 32 1.380 -10.557 2.703 1.00 0.00 N ATOM 1273 CA LEU B 32 0.140 -9.863 3.157 1.00 0.00 C ATOM 1274 C LEU B 32 0.150 -8.401 2.701 1.00 0.00 C ATOM 1275 O LEU B 32 -0.883 -7.808 2.461 1.00 0.00 O ATOM 1276 CB LEU B 32 0.174 -9.948 4.682 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.256 -10.001 5.223 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -1.900 -11.333 4.834 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.228 -9.874 6.747 1.00 0.00 C ATOM 0 H LEU B 32 1.989 -10.890 3.450 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.760 -10.317 2.742 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.725 -10.835 4.995 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.698 -9.085 5.093 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.836 -9.181 4.800 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.919 -11.371 5.219 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.919 -11.424 3.748 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.321 -12.154 5.257 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.246 -9.912 7.134 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.649 -10.695 7.170 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.769 -8.925 7.025 1.00 0.00 H new ATOM 1291 N MET B 33 1.309 -7.813 2.583 1.00 0.00 N ATOM 1292 CA MET B 33 1.384 -6.390 2.146 1.00 0.00 C ATOM 1293 C MET B 33 0.820 -6.234 0.730 1.00 0.00 C ATOM 1294 O MET B 33 -0.109 -5.485 0.499 1.00 0.00 O ATOM 1295 CB MET B 33 2.875 -6.048 2.166 1.00 0.00 C ATOM 1296 CG MET B 33 3.263 -5.528 3.552 1.00 0.00 C ATOM 1297 SD MET B 33 4.881 -6.196 4.013 1.00 0.00 S ATOM 1298 CE MET B 33 5.879 -5.140 2.936 1.00 0.00 C ATOM 0 H MET B 33 2.208 -8.257 2.770 1.00 0.00 H new ATOM 0 HA MET B 33 0.803 -5.732 2.792 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.464 -6.931 1.920 1.00 0.00 H new ATOM 0 HB3 MET B 33 3.096 -5.296 1.409 1.00 0.00 H new ATOM 0 HG2 MET B 33 3.295 -4.438 3.548 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.513 -5.822 4.286 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.908 -5.500 2.925 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.475 -5.167 1.924 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.857 -4.116 3.309 1.00 0.00 H new ATOM 1308 N MET B 34 1.378 -6.935 -0.220 1.00 0.00 N ATOM 1309 CA MET B 34 0.878 -6.823 -1.621 1.00 0.00 C ATOM 1310 C MET B 34 -0.608 -7.185 -1.692 1.00 0.00 C ATOM 1311 O MET B 34 -1.386 -6.527 -2.355 1.00 0.00 O ATOM 1312 CB MET B 34 1.712 -7.828 -2.418 1.00 0.00 C ATOM 1313 CG MET B 34 1.708 -7.437 -3.897 1.00 0.00 C ATOM 1314 SD MET B 34 3.318 -7.823 -4.628 1.00 0.00 S ATOM 1315 CE MET B 34 4.242 -6.463 -3.871 1.00 0.00 C ATOM 0 H MET B 34 2.157 -7.580 -0.087 1.00 0.00 H new ATOM 0 HA MET B 34 0.972 -5.809 -2.010 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.734 -7.849 -2.040 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.306 -8.832 -2.295 1.00 0.00 H new ATOM 0 HG2 MET B 34 0.919 -7.974 -4.424 1.00 0.00 H new ATOM 0 HG3 MET B 34 1.495 -6.373 -4.002 1.00 0.00 H new ATOM 0 HE1 MET B 34 5.238 -6.410 -4.311 1.00 0.00 H new ATOM 0 HE2 MET B 34 3.717 -5.524 -4.047 1.00 0.00 H new ATOM 0 HE3 MET B 34 4.329 -6.635 -2.798 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.009 -8.227 -1.016 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.444 -8.634 -1.047 1.00 0.00 C ATOM 1327 C GLN B 35 -3.350 -7.439 -0.723 1.00 0.00 C ATOM 1328 O GLN B 35 -3.977 -6.870 -1.592 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.569 -9.717 0.027 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.034 -10.137 0.170 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.219 -11.545 -0.401 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.360 -11.714 -1.597 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -4.226 -12.568 0.408 1.00 0.00 N ATOM 0 H GLN B 35 -0.404 -8.815 -0.443 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.749 -8.996 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -1.958 -10.579 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.194 -9.343 0.979 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.328 -10.117 1.219 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.678 -9.432 -0.355 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -4.108 -12.426 1.411 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -4.350 -13.510 0.038 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.427 -7.063 0.524 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.297 -5.911 0.906 1.00 0.00 C ATOM 1344 C HIS B 36 -4.001 -4.694 0.018 1.00 0.00 C ATOM 1345 O HIS B 36 -4.888 -4.144 -0.606 1.00 0.00 O ATOM 1346 CB HIS B 36 -3.938 -5.621 2.362 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.463 -6.724 3.240 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.642 -7.398 2.957 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -3.980 -7.285 4.396 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -5.826 -8.316 3.924 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -4.842 -8.290 4.827 1.00 0.00 N ATOM 0 H HIS B 36 -2.926 -7.503 1.296 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.357 -6.132 0.781 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.857 -5.539 2.471 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.363 -4.665 2.668 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -3.069 -6.991 4.896 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -6.667 -8.992 3.965 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -4.743 -8.879 5.654 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.764 -4.273 -0.048 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.410 -3.095 -0.901 1.00 0.00 C ATOM 1361 C ALA B 37 -3.028 -3.247 -2.297 1.00 0.00 C ATOM 1362 O ALA B 37 -3.540 -2.304 -2.867 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.885 -3.118 -0.987 1.00 0.00 C ATOM 0 H ALA B 37 -1.981 -4.694 0.452 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.783 -2.158 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.542 -2.283 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.463 -3.032 0.014 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.560 -4.055 -1.439 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.993 -4.434 -2.847 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.588 -4.646 -4.198 1.00 0.00 C ATOM 1371 C GLN B 38 -5.086 -4.348 -4.143 1.00 0.00 C ATOM 1372 O GLN B 38 -5.668 -3.850 -5.086 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.341 -6.120 -4.521 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.115 -6.246 -5.428 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.986 -7.689 -5.916 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -1.906 -8.606 -5.123 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -1.960 -7.933 -7.198 1.00 0.00 N ATOM 0 H GLN B 38 -2.579 -5.262 -2.419 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.152 -3.995 -4.956 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.185 -6.684 -3.601 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.215 -6.547 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.208 -5.571 -6.278 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.216 -5.953 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.027 -7.164 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.873 -8.892 -7.533 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.708 -4.630 -3.030 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.165 -4.345 -2.893 1.00 0.00 C ATOM 1388 C ASN B 39 -7.362 -2.946 -2.298 1.00 0.00 C ATOM 1389 O ASN B 39 -8.415 -2.618 -1.789 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.693 -5.416 -1.939 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.931 -6.716 -2.711 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -9.060 -7.108 -2.929 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -6.908 -7.404 -3.136 1.00 0.00 N ATOM 0 H ASN B 39 -5.269 -5.046 -2.209 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.688 -4.367 -3.849 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.978 -5.585 -1.134 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.621 -5.080 -1.476 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.056 -8.272 -3.652 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -5.960 -7.075 -2.953 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.347 -2.122 -2.360 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.454 -0.743 -1.806 1.00 0.00 C ATOM 1402 C LEU B 40 -6.866 -0.777 -0.334 1.00 0.00 C ATOM 1403 O LEU B 40 -7.392 0.182 0.195 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.518 -0.046 -2.655 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.894 0.426 -3.969 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.876 -0.730 -4.969 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.721 1.580 -4.540 1.00 0.00 C ATOM 0 H LEU B 40 -5.443 -2.349 -2.774 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.500 -0.218 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.343 -0.730 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.933 0.803 -2.112 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.874 0.764 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.431 -0.394 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.288 -1.553 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.896 -1.068 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.277 1.917 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.741 1.241 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.735 2.405 -3.828 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.612 -1.864 0.338 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.971 -1.939 1.782 1.00 0.00 C ATOM 1421 C GLU B 41 -6.090 -0.965 2.563 1.00 0.00 C ATOM 1422 O GLU B 41 -6.561 -0.188 3.370 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.681 -3.382 2.192 1.00 0.00 C ATOM 1424 CG GLU B 41 -7.842 -4.280 1.761 1.00 0.00 C ATOM 1425 CD GLU B 41 -8.759 -4.541 2.957 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.239 -3.577 3.532 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -8.967 -5.699 3.278 1.00 0.00 O ATOM 0 H GLU B 41 -6.173 -2.701 -0.047 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.010 -1.674 1.978 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.754 -3.723 1.731 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.542 -3.443 3.271 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.403 -3.805 0.956 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.460 -5.223 1.370 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.811 -0.996 2.308 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.872 -0.072 3.005 1.00 0.00 C ATOM 1436 C PHE B 42 -4.112 -0.074 4.513 1.00 0.00 C ATOM 1437 O PHE B 42 -4.913 -0.829 5.019 1.00 0.00 O ATOM 1438 CB PHE B 42 -4.163 1.309 2.418 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.331 1.525 1.176 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -1.952 1.214 1.183 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -3.931 2.044 0.007 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.175 1.422 0.021 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.154 2.251 -1.155 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.776 1.940 -1.146 1.00 0.00 C ATOM 0 H PHE B 42 -4.372 -1.629 1.639 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.834 -0.372 2.861 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -5.222 1.395 2.176 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.940 2.081 3.154 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.492 0.817 2.076 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -4.984 2.283 0.001 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -0.121 1.185 0.026 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.613 2.647 -2.049 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.182 2.099 -2.034 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.387 0.764 5.218 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.489 0.861 6.707 1.00 0.00 C ATOM 1456 C GLU B 43 -3.004 -0.442 7.326 1.00 0.00 C ATOM 1457 O GLU B 43 -2.012 -0.487 8.023 1.00 0.00 O ATOM 1458 CB GLU B 43 -4.966 1.114 7.032 1.00 0.00 C ATOM 1459 CG GLU B 43 -5.147 1.130 8.549 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.636 1.043 8.889 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.131 -0.066 9.012 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -7.256 2.085 9.020 1.00 0.00 O ATOM 0 H GLU B 43 -2.708 1.404 4.807 1.00 0.00 H new ATOM 0 HA GLU B 43 -2.875 1.667 7.109 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.288 2.064 6.605 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.588 0.337 6.587 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.612 0.293 8.998 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.721 2.042 8.967 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.689 -1.499 7.049 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.281 -2.826 7.582 1.00 0.00 C ATOM 1471 C GLU B 44 -2.190 -3.430 6.693 1.00 0.00 C ATOM 1472 O GLU B 44 -1.354 -4.187 7.144 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.552 -3.682 7.550 1.00 0.00 C ATOM 1474 CG GLU B 44 -5.004 -3.893 6.102 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.139 -4.917 6.066 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -5.939 -6.012 6.566 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.190 -4.589 5.539 1.00 0.00 O ATOM 0 H GLU B 44 -4.528 -1.508 6.468 1.00 0.00 H new ATOM 0 HA GLU B 44 -2.870 -2.762 8.590 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.364 -4.645 8.025 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.343 -3.195 8.119 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.338 -2.948 5.673 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.167 -4.240 5.496 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.204 -3.107 5.425 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.181 -3.671 4.497 1.00 0.00 C ATOM 1486 C ALA B 45 0.139 -2.903 4.594 1.00 0.00 C ATOM 1487 O ALA B 45 1.202 -3.487 4.672 1.00 0.00 O ATOM 1488 CB ALA B 45 -1.784 -3.503 3.104 1.00 0.00 C ATOM 0 H ALA B 45 -2.880 -2.477 4.993 1.00 0.00 H new ATOM 0 HA ALA B 45 -0.952 -4.710 4.735 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.092 -3.894 2.358 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -2.726 -4.049 3.047 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.965 -2.446 2.911 1.00 0.00 H new ATOM 1494 N ALA B 46 0.084 -1.601 4.570 1.00 0.00 N ATOM 1495 CA ALA B 46 1.344 -0.809 4.638 1.00 0.00 C ATOM 1496 C ALA B 46 1.936 -0.846 6.050 1.00 0.00 C ATOM 1497 O ALA B 46 3.135 -0.912 6.222 1.00 0.00 O ATOM 1498 CB ALA B 46 0.938 0.613 4.252 1.00 0.00 C ATOM 0 H ALA B 46 -0.774 -1.053 4.507 1.00 0.00 H new ATOM 0 HA ALA B 46 2.113 -1.207 3.976 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.814 1.261 4.278 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.518 0.611 3.246 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.192 0.982 4.956 1.00 0.00 H new ATOM 1504 N GLN B 47 1.113 -0.811 7.062 1.00 0.00 N ATOM 1505 CA GLN B 47 1.653 -0.849 8.454 1.00 0.00 C ATOM 1506 C GLN B 47 2.592 -2.048 8.625 1.00 0.00 C ATOM 1507 O GLN B 47 3.445 -2.061 9.490 1.00 0.00 O ATOM 1508 CB GLN B 47 0.429 -1.000 9.357 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.126 0.383 9.698 1.00 0.00 C ATOM 1510 CD GLN B 47 0.787 1.063 10.721 1.00 0.00 C ATOM 1511 OE1 GLN B 47 1.982 0.851 10.719 1.00 0.00 O ATOM 1512 NE2 GLN B 47 0.269 1.876 11.600 1.00 0.00 N ATOM 0 H GLN B 47 0.097 -0.758 6.988 1.00 0.00 H new ATOM 0 HA GLN B 47 2.228 0.046 8.694 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.334 -1.597 8.857 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.700 -1.530 10.270 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.195 0.991 8.796 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -1.135 0.292 10.099 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.735 2.054 11.601 1.00 0.00 H new ATOM 0 HE22 GLN B 47 0.868 2.334 12.286 1.00 0.00 H new ATOM 1521 N ILE B 48 2.439 -3.054 7.808 1.00 0.00 N ATOM 1522 CA ILE B 48 3.321 -4.250 7.927 1.00 0.00 C ATOM 1523 C ILE B 48 4.773 -3.874 7.619 1.00 0.00 C ATOM 1524 O ILE B 48 5.699 -4.488 8.111 1.00 0.00 O ATOM 1525 CB ILE B 48 2.789 -5.239 6.891 1.00 0.00 C ATOM 1526 CG1 ILE B 48 1.360 -5.644 7.261 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.679 -6.483 6.868 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.707 -6.357 6.075 1.00 0.00 C ATOM 0 H ILE B 48 1.743 -3.100 7.064 1.00 0.00 H new ATOM 0 HA ILE B 48 3.312 -4.670 8.933 1.00 0.00 H new ATOM 0 HB ILE B 48 2.793 -4.771 5.907 1.00 0.00 H new ATOM 0 HG12 ILE B 48 1.371 -6.300 8.132 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.780 -4.762 7.533 1.00 0.00 H new ATOM 0 HG21 ILE B 48 3.299 -7.188 6.129 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.698 -6.197 6.607 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.675 -6.951 7.852 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.311 -6.645 6.339 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.683 -5.687 5.216 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.283 -7.248 5.824 1.00 0.00 H new ATOM 1540 N ARG B 49 4.984 -2.870 6.810 1.00 0.00 N ATOM 1541 CA ARG B 49 6.383 -2.466 6.481 1.00 0.00 C ATOM 1542 C ARG B 49 7.168 -2.203 7.770 1.00 0.00 C ATOM 1543 O ARG B 49 8.376 -2.317 7.807 1.00 0.00 O ATOM 1544 CB ARG B 49 6.249 -1.183 5.656 1.00 0.00 C ATOM 1545 CG ARG B 49 5.641 -0.072 6.516 1.00 0.00 C ATOM 1546 CD ARG B 49 6.759 0.791 7.106 1.00 0.00 C ATOM 1547 NE ARG B 49 6.144 1.457 8.287 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.387 2.718 8.525 1.00 0.00 C ATOM 1549 NH1 ARG B 49 5.418 3.590 8.470 1.00 0.00 N ATOM 1550 NH2 ARG B 49 7.598 3.104 8.818 1.00 0.00 N ATOM 0 H ARG B 49 4.253 -2.315 6.365 1.00 0.00 H new ATOM 0 HA ARG B 49 6.920 -3.240 5.933 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.227 -0.875 5.286 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.621 -1.365 4.784 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.972 0.543 5.914 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.041 -0.505 7.317 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.616 0.183 7.397 1.00 0.00 H new ATOM 0 HD3 ARG B 49 7.118 1.522 6.382 1.00 0.00 H new ATOM 0 HE ARG B 49 5.533 0.929 8.910 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.471 3.287 8.241 1.00 0.00 H new ATOM 0 HH12 ARG B 49 5.607 4.575 8.656 1.00 0.00 H new ATOM 0 HH21 ARG B 49 8.355 2.421 8.861 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.788 4.089 9.004 1.00 0.00 H new ATOM 1564 N ASP B 50 6.486 -1.855 8.827 1.00 0.00 N ATOM 1565 CA ASP B 50 7.187 -1.587 10.114 1.00 0.00 C ATOM 1566 C ASP B 50 7.513 -2.905 10.820 1.00 0.00 C ATOM 1567 O ASP B 50 8.564 -3.061 11.410 1.00 0.00 O ATOM 1568 CB ASP B 50 6.198 -0.765 10.940 1.00 0.00 C ATOM 1569 CG ASP B 50 6.715 0.666 11.085 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.924 0.841 11.090 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.896 1.565 11.188 1.00 0.00 O ATOM 0 H ASP B 50 5.472 -1.745 8.854 1.00 0.00 H new ATOM 0 HA ASP B 50 8.131 -1.062 9.970 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.220 -0.762 10.458 1.00 0.00 H new ATOM 0 HB3 ASP B 50 6.067 -1.216 11.923 1.00 0.00 H new ATOM 1576 N GLN B 51 6.621 -3.856 10.763 1.00 0.00 N ATOM 1577 CA GLN B 51 6.881 -5.163 11.431 1.00 0.00 C ATOM 1578 C GLN B 51 7.871 -5.989 10.604 1.00 0.00 C ATOM 1579 O GLN B 51 8.809 -6.556 11.127 1.00 0.00 O ATOM 1580 CB GLN B 51 5.520 -5.857 11.489 1.00 0.00 C ATOM 1581 CG GLN B 51 4.541 -4.993 12.285 1.00 0.00 C ATOM 1582 CD GLN B 51 3.134 -5.585 12.179 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.156 -4.864 12.189 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.991 -6.878 12.078 1.00 0.00 N ATOM 0 H GLN B 51 5.724 -3.785 10.283 1.00 0.00 H new ATOM 0 HA GLN B 51 7.318 -5.042 12.422 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.140 -6.021 10.481 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.619 -6.837 11.956 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.849 -4.944 13.330 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.547 -3.972 11.903 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.812 -7.483 12.070 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.058 -7.284 12.007 1.00 0.00 H new ATOM 1593 N LEU B 52 7.669 -6.061 9.316 1.00 0.00 N ATOM 1594 CA LEU B 52 8.600 -6.850 8.460 1.00 0.00 C ATOM 1595 C LEU B 52 10.027 -6.313 8.598 1.00 0.00 C ATOM 1596 O LEU B 52 10.984 -7.061 8.593 1.00 0.00 O ATOM 1597 CB LEU B 52 8.086 -6.654 7.032 1.00 0.00 C ATOM 1598 CG LEU B 52 8.070 -8.000 6.305 1.00 0.00 C ATOM 1599 CD1 LEU B 52 9.489 -8.569 6.252 1.00 0.00 C ATOM 1600 CD2 LEU B 52 7.158 -8.973 7.055 1.00 0.00 C ATOM 0 H LEU B 52 6.901 -5.608 8.820 1.00 0.00 H new ATOM 0 HA LEU B 52 8.630 -7.903 8.741 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.083 -6.227 7.051 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.723 -5.948 6.499 1.00 0.00 H new ATOM 0 HG LEU B 52 7.697 -7.860 5.290 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.477 -9.528 5.734 1.00 0.00 H new ATOM 0 HD12 LEU B 52 10.139 -7.876 5.718 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.863 -8.709 7.266 1.00 0.00 H new ATOM 0 HD21 LEU B 52 7.146 -9.932 6.538 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.531 -9.112 8.070 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.147 -8.568 7.093 1.00 0.00 H new ATOM 1612 N HIS B 53 10.177 -5.023 8.723 1.00 0.00 N ATOM 1613 CA HIS B 53 11.542 -4.441 8.864 1.00 0.00 C ATOM 1614 C HIS B 53 12.116 -4.777 10.243 1.00 0.00 C ATOM 1615 O HIS B 53 13.287 -5.069 10.385 1.00 0.00 O ATOM 1616 CB HIS B 53 11.349 -2.932 8.715 1.00 0.00 C ATOM 1617 CG HIS B 53 12.583 -2.327 8.102 1.00 0.00 C ATOM 1618 ND1 HIS B 53 13.859 -2.654 8.533 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.751 -1.413 7.092 1.00 0.00 C ATOM 1620 CE1 HIS B 53 14.731 -1.949 7.789 1.00 0.00 C ATOM 1621 NE2 HIS B 53 14.108 -1.176 6.896 1.00 0.00 N ATOM 0 H HIS B 53 9.414 -4.347 8.734 1.00 0.00 H new ATOM 0 HA HIS B 53 12.239 -4.835 8.124 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.481 -2.726 8.089 1.00 0.00 H new ATOM 0 HB3 HIS B 53 11.155 -2.481 9.688 1.00 0.00 H new ATOM 0 HD1 HIS B 53 14.094 -3.310 9.278 1.00 0.00 H new ATOM 0 HD2 HIS B 53 11.951 -0.948 6.534 1.00 0.00 H new ATOM 0 HE1 HIS B 53 15.804 -2.002 7.901 1.00 0.00 H new ATOM 1629 N GLN B 54 11.300 -4.738 11.260 1.00 0.00 N ATOM 1630 CA GLN B 54 11.798 -5.058 12.628 1.00 0.00 C ATOM 1631 C GLN B 54 12.087 -6.556 12.744 1.00 0.00 C ATOM 1632 O GLN B 54 13.049 -6.968 13.361 1.00 0.00 O ATOM 1633 CB GLN B 54 10.663 -4.654 13.570 1.00 0.00 C ATOM 1634 CG GLN B 54 10.739 -3.151 13.847 1.00 0.00 C ATOM 1635 CD GLN B 54 11.099 -2.921 15.316 1.00 0.00 C ATOM 1636 OE1 GLN B 54 10.259 -3.045 16.186 1.00 0.00 O ATOM 1637 NE2 GLN B 54 12.320 -2.587 15.632 1.00 0.00 N ATOM 0 H GLN B 54 10.310 -4.498 11.203 1.00 0.00 H new ATOM 0 HA GLN B 54 12.725 -4.535 12.864 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.700 -4.904 13.124 1.00 0.00 H new ATOM 0 HB3 GLN B 54 10.736 -5.211 14.504 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.486 -2.689 13.202 1.00 0.00 H new ATOM 0 HG3 GLN B 54 9.784 -2.679 13.617 1.00 0.00 H new ATOM 0 HE21 GLN B 54 13.025 -2.483 14.903 1.00 0.00 H new ATOM 0 HE22 GLN B 54 12.569 -2.430 16.609 1.00 0.00 H new ATOM 1646 N LEU B 55 11.261 -7.374 12.151 1.00 0.00 N ATOM 1647 CA LEU B 55 11.489 -8.847 12.224 1.00 0.00 C ATOM 1648 C LEU B 55 12.845 -9.197 11.607 1.00 0.00 C ATOM 1649 O LEU B 55 13.472 -10.172 11.972 1.00 0.00 O ATOM 1650 CB LEU B 55 10.353 -9.463 11.408 1.00 0.00 C ATOM 1651 CG LEU B 55 9.052 -9.387 12.208 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.862 -9.607 11.272 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.055 -10.471 13.288 1.00 0.00 C ATOM 0 H LEU B 55 10.439 -7.088 11.620 1.00 0.00 H new ATOM 0 HA LEU B 55 11.499 -9.216 13.249 1.00 0.00 H new ATOM 0 HB2 LEU B 55 10.242 -8.934 10.462 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.585 -10.501 11.168 1.00 0.00 H new ATOM 0 HG LEU B 55 8.970 -8.406 12.675 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.935 -9.553 11.843 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.859 -8.837 10.501 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.943 -10.588 10.805 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.128 -10.418 13.859 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.137 -11.452 12.819 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.902 -10.317 13.956 1.00 0.00 H new ATOM 1665 N ARG B 56 13.303 -8.405 10.677 1.00 0.00 N ATOM 1666 CA ARG B 56 14.621 -8.686 10.040 1.00 0.00 C ATOM 1667 C ARG B 56 15.728 -8.618 11.099 1.00 0.00 C ATOM 1668 O ARG B 56 16.301 -9.618 11.479 1.00 0.00 O ATOM 1669 CB ARG B 56 14.782 -7.580 8.981 1.00 0.00 C ATOM 1670 CG ARG B 56 16.251 -7.433 8.551 1.00 0.00 C ATOM 1671 CD ARG B 56 16.838 -8.805 8.208 1.00 0.00 C ATOM 1672 NE ARG B 56 17.684 -8.572 7.005 1.00 0.00 N ATOM 1673 CZ ARG B 56 18.791 -9.246 6.845 1.00 0.00 C ATOM 1674 NH1 ARG B 56 19.943 -8.641 6.945 1.00 0.00 N ATOM 1675 NH2 ARG B 56 18.745 -10.524 6.585 1.00 0.00 N ATOM 0 H ARG B 56 12.822 -7.575 10.330 1.00 0.00 H new ATOM 0 HA ARG B 56 14.681 -9.678 9.592 1.00 0.00 H new ATOM 0 HB2 ARG B 56 14.167 -7.813 8.112 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.421 -6.633 9.382 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.321 -6.772 7.687 1.00 0.00 H new ATOM 0 HG3 ARG B 56 16.828 -6.972 9.352 1.00 0.00 H new ATOM 0 HD2 ARG B 56 17.428 -9.200 9.035 1.00 0.00 H new ATOM 0 HD3 ARG B 56 16.051 -9.531 8.003 1.00 0.00 H new ATOM 0 HE ARG B 56 17.399 -7.886 6.306 1.00 0.00 H new ATOM 0 HH11 ARG B 56 19.978 -7.642 7.148 1.00 0.00 H new ATOM 0 HH12 ARG B 56 20.808 -9.167 6.820 1.00 0.00 H new ATOM 0 HH21 ARG B 56 17.844 -10.996 6.507 1.00 0.00 H new ATOM 0 HH22 ARG B 56 19.610 -11.050 6.460 1.00 0.00 H new ATOM 1689 N GLU B 57 16.023 -7.442 11.576 1.00 0.00 N ATOM 1690 CA GLU B 57 17.089 -7.300 12.615 1.00 0.00 C ATOM 1691 C GLU B 57 16.834 -8.277 13.764 1.00 0.00 C ATOM 1692 O GLU B 57 17.747 -8.859 14.315 1.00 0.00 O ATOM 1693 CB GLU B 57 16.977 -5.856 13.110 1.00 0.00 C ATOM 1694 CG GLU B 57 17.071 -4.896 11.924 1.00 0.00 C ATOM 1695 CD GLU B 57 17.528 -3.520 12.415 1.00 0.00 C ATOM 1696 OE1 GLU B 57 18.439 -3.474 13.225 1.00 0.00 O ATOM 1697 OE2 GLU B 57 16.958 -2.537 11.972 1.00 0.00 O ATOM 0 H GLU B 57 15.574 -6.571 11.294 1.00 0.00 H new ATOM 0 HA GLU B 57 18.081 -7.518 12.220 1.00 0.00 H new ATOM 0 HB2 GLU B 57 16.031 -5.713 13.632 1.00 0.00 H new ATOM 0 HB3 GLU B 57 17.771 -5.644 13.826 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.773 -5.282 11.185 1.00 0.00 H new ATOM 0 HG3 GLU B 57 16.102 -4.815 11.431 1.00 0.00 H new ATOM 1704 N LEU B 58 15.594 -8.464 14.125 1.00 0.00 N ATOM 1705 CA LEU B 58 15.273 -9.407 15.235 1.00 0.00 C ATOM 1706 C LEU B 58 15.864 -10.788 14.940 1.00 0.00 C ATOM 1707 O LEU B 58 16.072 -11.588 15.831 1.00 0.00 O ATOM 1708 CB LEU B 58 13.746 -9.473 15.269 1.00 0.00 C ATOM 1709 CG LEU B 58 13.216 -8.504 16.327 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.709 -8.318 16.141 1.00 0.00 C ATOM 1711 CD2 LEU B 58 13.490 -9.073 17.721 1.00 0.00 C ATOM 0 H LEU B 58 14.789 -8.005 13.700 1.00 0.00 H new ATOM 0 HA LEU B 58 15.688 -9.081 16.189 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.339 -9.218 14.291 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.420 -10.488 15.495 1.00 0.00 H new ATOM 0 HG LEU B 58 13.716 -7.542 16.221 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.332 -7.627 16.895 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.512 -7.914 15.148 1.00 0.00 H new ATOM 0 HD13 LEU B 58 11.208 -9.280 16.247 1.00 0.00 H new ATOM 0 HD21 LEU B 58 13.113 -8.383 18.476 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.989 -10.035 17.826 1.00 0.00 H new ATOM 0 HD23 LEU B 58 14.564 -9.206 17.855 1.00 0.00 H new ATOM 1723 N PHE B 59 16.140 -11.074 13.696 1.00 0.00 N ATOM 1724 CA PHE B 59 16.722 -12.403 13.340 1.00 0.00 C ATOM 1725 C PHE B 59 17.926 -12.713 14.237 1.00 0.00 C ATOM 1726 O PHE B 59 18.071 -13.808 14.742 1.00 0.00 O ATOM 1727 CB PHE B 59 17.157 -12.260 11.878 1.00 0.00 C ATOM 1728 CG PHE B 59 17.901 -13.500 11.441 1.00 0.00 C ATOM 1729 CD1 PHE B 59 17.276 -14.765 11.515 1.00 0.00 C ATOM 1730 CD2 PHE B 59 19.225 -13.394 10.957 1.00 0.00 C ATOM 1731 CE1 PHE B 59 17.974 -15.923 11.105 1.00 0.00 C ATOM 1732 CE2 PHE B 59 19.923 -14.551 10.548 1.00 0.00 C ATOM 1733 CZ PHE B 59 19.297 -15.816 10.622 1.00 0.00 C ATOM 0 H PHE B 59 15.988 -10.444 12.908 1.00 0.00 H new ATOM 0 HA PHE B 59 16.012 -13.219 13.477 1.00 0.00 H new ATOM 0 HB2 PHE B 59 16.285 -12.106 11.243 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.794 -11.383 11.763 1.00 0.00 H new ATOM 0 HD1 PHE B 59 16.265 -14.847 11.885 1.00 0.00 H new ATOM 0 HD2 PHE B 59 19.703 -12.427 10.900 1.00 0.00 H new ATOM 0 HE1 PHE B 59 17.496 -16.890 11.161 1.00 0.00 H new ATOM 0 HE2 PHE B 59 20.935 -14.470 10.179 1.00 0.00 H new ATOM 0 HZ PHE B 59 19.831 -16.701 10.309 1.00 0.00 H new ATOM 1743 N ILE B 60 18.790 -11.756 14.439 1.00 0.00 N ATOM 1744 CA ILE B 60 19.980 -11.996 15.302 1.00 0.00 C ATOM 1745 C ILE B 60 19.541 -12.206 16.753 1.00 0.00 C ATOM 1746 O ILE B 60 20.088 -13.024 17.466 1.00 0.00 O ATOM 1747 CB ILE B 60 20.826 -10.730 15.174 1.00 0.00 C ATOM 1748 CG1 ILE B 60 21.148 -10.480 13.698 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.129 -10.905 15.956 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.518 -9.158 13.255 1.00 0.00 C ATOM 0 H ILE B 60 18.723 -10.818 14.043 1.00 0.00 H new ATOM 0 HA ILE B 60 20.535 -12.886 15.005 1.00 0.00 H new ATOM 0 HB ILE B 60 20.272 -9.881 15.576 1.00 0.00 H new ATOM 0 HG12 ILE B 60 22.228 -10.448 13.551 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.767 -11.299 13.088 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.732 -10.002 15.865 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.901 -11.085 17.007 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.683 -11.754 15.555 1.00 0.00 H new ATOM 0 HD11 ILE B 60 20.747 -8.980 12.204 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.437 -9.208 13.387 1.00 0.00 H new ATOM 0 HD13 ILE B 60 20.920 -8.343 13.857 1.00 0.00 H new ATOM 1762 N ALA B 61 18.555 -11.475 17.196 1.00 0.00 N ATOM 1763 CA ALA B 61 18.079 -11.636 18.600 1.00 0.00 C ATOM 1764 C ALA B 61 17.546 -13.056 18.815 1.00 0.00 C ATOM 1765 O ALA B 61 17.481 -13.543 19.925 1.00 0.00 O ATOM 1766 CB ALA B 61 16.956 -10.611 18.758 1.00 0.00 C ATOM 0 H ALA B 61 18.058 -10.773 16.647 1.00 0.00 H new ATOM 0 HA ALA B 61 18.875 -11.481 19.328 1.00 0.00 H new ATOM 0 HB1 ALA B 61 16.552 -10.667 19.769 1.00 0.00 H new ATOM 0 HB2 ALA B 61 17.349 -9.610 18.579 1.00 0.00 H new ATOM 0 HB3 ALA B 61 16.165 -10.824 18.039 1.00 0.00 H new ATOM 1772 N ALA B 62 17.165 -13.721 17.758 1.00 0.00 N ATOM 1773 CA ALA B 62 16.639 -15.109 17.901 1.00 0.00 C ATOM 1774 C ALA B 62 17.715 -16.126 17.515 1.00 0.00 C ATOM 1775 O ALA B 62 18.219 -16.857 18.344 1.00 0.00 O ATOM 1776 CB ALA B 62 15.457 -15.185 16.934 1.00 0.00 C ATOM 0 H ALA B 62 17.195 -13.364 16.803 1.00 0.00 H new ATOM 0 HA ALA B 62 16.343 -15.335 18.925 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.013 -16.179 16.980 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.711 -14.441 17.213 1.00 0.00 H new ATOM 0 HB3 ALA B 62 15.804 -14.989 15.919 1.00 0.00 H new ATOM 1782 N SER B 63 18.074 -16.177 16.260 1.00 0.00 N ATOM 1783 CA SER B 63 19.119 -17.146 15.823 1.00 0.00 C ATOM 1784 C SER B 63 20.330 -16.399 15.258 1.00 0.00 C ATOM 1785 O SER B 63 20.136 -15.579 14.376 1.00 0.00 O ATOM 1786 CB SER B 63 18.451 -17.986 14.736 1.00 0.00 C ATOM 1787 OG SER B 63 19.406 -18.881 14.181 1.00 0.00 O ATOM 1788 OXT SER B 63 21.430 -16.661 15.715 1.00 0.00 O ATOM 0 H SER B 63 17.689 -15.590 15.520 1.00 0.00 H new ATOM 0 HA SER B 63 19.482 -17.761 16.646 1.00 0.00 H new ATOM 0 HB2 SER B 63 17.613 -18.544 15.155 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.046 -17.339 13.958 1.00 0.00 H new ATOM 0 HG SER B 63 18.980 -19.423 13.484 1.00 0.00 H new