USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 439 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 55 ASN : amide:sc= -0.927 K(o=0.15,f=-2.9) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -117:sc= 1.08 (180deg=-0.228) USER MOD Single : A 15 GLN : amide:sc= -0.347 K(o=-0.35,f=-3.1!) USER MOD Single : A 16 GLN : amide:sc= -0.125 K(o=-0.12,f=1) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.566 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.8!) USER MOD Single : A 45 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N ARG A 14 9.246 1.142 -8.176 1.00 0.00 N ATOM 230 CA ARG A 14 10.031 1.438 -6.983 1.00 0.00 C ATOM 231 C ARG A 14 10.285 2.938 -6.859 1.00 0.00 C ATOM 232 O ARG A 14 10.616 3.433 -5.782 1.00 0.00 O ATOM 233 CB ARG A 14 11.362 0.685 -7.023 1.00 0.00 C ATOM 234 CG ARG A 14 12.165 0.933 -8.289 1.00 0.00 C ATOM 235 CD ARG A 14 12.093 -0.255 -9.235 1.00 0.00 C ATOM 236 NE ARG A 14 13.203 -1.183 -9.034 1.00 0.00 N ATOM 237 CZ ARG A 14 14.440 -0.952 -9.458 1.00 0.00 C ATOM 238 NH1 ARG A 14 14.725 0.171 -10.103 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.397 -1.845 -9.236 1.00 0.00 N ATOM 0 HA ARG A 14 9.463 1.110 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.961 0.977 -6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.168 -0.384 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.788 1.823 -8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.205 1.130 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.150 -0.780 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.100 0.101 -10.265 1.00 0.00 H new ATOM 0 HE ARG A 14 13.018 -2.056 -8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.993 0.860 -10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.676 0.345 -10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.182 -2.710 -8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.347 -1.666 -9.562 1.00 0.00 H new ATOM 253 N GLN A 15 10.129 3.653 -7.968 1.00 0.00 N ATOM 254 CA GLN A 15 10.343 5.095 -7.982 1.00 0.00 C ATOM 255 C GLN A 15 9.593 5.769 -6.838 1.00 0.00 C ATOM 256 O GLN A 15 10.169 6.548 -6.080 1.00 0.00 O ATOM 257 CB GLN A 15 9.893 5.686 -9.320 1.00 0.00 C ATOM 258 CG GLN A 15 10.656 5.136 -10.515 1.00 0.00 C ATOM 259 CD GLN A 15 12.075 5.663 -10.594 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.569 6.293 -9.659 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.739 5.409 -11.716 1.00 0.00 N ATOM 0 H GLN A 15 9.855 3.258 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 15 11.409 5.279 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.830 5.488 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.014 6.769 -9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.679 4.048 -10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.125 5.395 -11.431 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.291 4.883 -12.466 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.697 5.740 -11.828 1.00 0.00 H new ATOM 270 N GLN A 16 8.305 5.462 -6.720 1.00 0.00 N ATOM 271 CA GLN A 16 7.476 6.039 -5.668 1.00 0.00 C ATOM 272 C GLN A 16 8.084 5.783 -4.293 1.00 0.00 C ATOM 273 O GLN A 16 7.929 6.587 -3.374 1.00 0.00 O ATOM 274 CB GLN A 16 6.062 5.461 -5.729 1.00 0.00 C ATOM 275 CG GLN A 16 5.304 5.837 -6.993 1.00 0.00 C ATOM 276 CD GLN A 16 4.288 4.788 -7.398 1.00 0.00 C ATOM 277 OE1 GLN A 16 3.111 4.879 -7.049 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.738 3.783 -8.141 1.00 0.00 N ATOM 0 H GLN A 16 7.813 4.818 -7.339 1.00 0.00 H new ATOM 0 HA GLN A 16 7.428 7.116 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.119 4.375 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.500 5.807 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.796 6.789 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.013 5.984 -7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.722 3.747 -8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.100 3.048 -8.445 1.00 0.00 H new ATOM 287 N LEU A 17 8.777 4.657 -4.159 1.00 0.00 N ATOM 288 CA LEU A 17 9.408 4.293 -2.896 1.00 0.00 C ATOM 289 C LEU A 17 10.832 4.837 -2.822 1.00 0.00 C ATOM 290 O LEU A 17 11.454 4.830 -1.761 1.00 0.00 O ATOM 291 CB LEU A 17 9.422 2.772 -2.729 1.00 0.00 C ATOM 292 CG LEU A 17 8.074 2.068 -2.885 1.00 0.00 C ATOM 293 CD1 LEU A 17 8.262 0.684 -3.488 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.363 1.974 -1.543 1.00 0.00 C ATOM 0 H LEU A 17 8.916 3.981 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 17 8.827 4.736 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.115 2.353 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.819 2.539 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 17 7.454 2.656 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.292 0.198 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.729 0.775 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.900 0.087 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.405 1.470 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.979 1.408 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.195 2.976 -1.149 1.00 0.00 H new ATOM 306 N GLU A 18 11.338 5.310 -3.957 1.00 0.00 N ATOM 307 CA GLU A 18 12.688 5.859 -4.019 1.00 0.00 C ATOM 308 C GLU A 18 12.759 7.209 -3.312 1.00 0.00 C ATOM 309 O GLU A 18 13.721 7.499 -2.600 1.00 0.00 O ATOM 310 CB GLU A 18 13.134 6.009 -5.475 1.00 0.00 C ATOM 311 CG GLU A 18 13.455 4.688 -6.153 1.00 0.00 C ATOM 312 CD GLU A 18 14.916 4.305 -6.023 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.777 5.078 -6.494 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.199 3.233 -5.449 1.00 0.00 O ATOM 0 H GLU A 18 10.835 5.324 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 18 13.359 5.167 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.348 6.514 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.015 6.650 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.837 3.902 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.193 4.753 -7.209 1.00 0.00 H new ATOM 321 N ILE A 19 11.734 8.031 -3.514 1.00 0.00 N ATOM 322 CA ILE A 19 11.680 9.350 -2.896 1.00 0.00 C ATOM 323 C ILE A 19 12.099 9.288 -1.431 1.00 0.00 C ATOM 324 O ILE A 19 12.782 10.183 -0.931 1.00 0.00 O ATOM 325 CB ILE A 19 10.268 9.957 -2.988 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.763 9.912 -4.432 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.271 11.387 -2.467 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.580 8.990 -4.630 1.00 0.00 C ATOM 0 H ILE A 19 10.930 7.807 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 19 12.376 9.984 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 19 9.594 9.366 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.484 10.919 -4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.576 9.591 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.266 11.802 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.593 11.394 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.956 11.990 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.276 9.008 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.860 7.974 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.751 9.323 -4.005 1.00 0.00 H new ATOM 340 N LEU A 20 11.688 8.226 -0.748 1.00 0.00 N ATOM 341 CA LEU A 20 12.023 8.045 0.661 1.00 0.00 C ATOM 342 C LEU A 20 13.272 7.184 0.818 1.00 0.00 C ATOM 343 O LEU A 20 14.288 7.638 1.341 1.00 0.00 O ATOM 344 CB LEU A 20 10.850 7.404 1.405 1.00 0.00 C ATOM 345 CG LEU A 20 9.470 7.592 0.774 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.252 9.048 0.393 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.313 6.691 -0.442 1.00 0.00 C ATOM 0 H LEU A 20 11.122 7.477 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 20 12.225 9.026 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.044 6.335 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.823 7.809 2.417 1.00 0.00 H new ATOM 0 HG LEU A 20 8.714 7.313 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.265 9.163 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.321 9.672 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.013 9.354 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.325 6.838 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.076 6.939 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.425 5.650 -0.140 1.00 0.00 H new ATOM 359 N GLU A 21 13.188 5.939 0.358 1.00 0.00 N ATOM 360 CA GLU A 21 14.313 5.015 0.447 1.00 0.00 C ATOM 361 C GLU A 21 15.616 5.707 0.058 1.00 0.00 C ATOM 362 O GLU A 21 16.692 5.346 0.538 1.00 0.00 O ATOM 363 CB GLU A 21 14.077 3.802 -0.455 1.00 0.00 C ATOM 364 CG GLU A 21 14.499 2.485 0.174 1.00 0.00 C ATOM 365 CD GLU A 21 15.994 2.406 0.414 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.763 2.666 -0.535 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.395 2.083 1.552 1.00 0.00 O ATOM 0 H GLU A 21 12.354 5.548 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 21 14.395 4.679 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.019 3.750 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.624 3.941 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.975 2.355 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.195 1.663 -0.474 1.00 0.00 H new ATOM 374 N THR A 22 15.513 6.703 -0.816 1.00 0.00 N ATOM 375 CA THR A 22 16.683 7.444 -1.271 1.00 0.00 C ATOM 376 C THR A 22 16.931 8.669 -0.399 1.00 0.00 C ATOM 377 O THR A 22 18.031 8.862 0.120 1.00 0.00 O ATOM 378 CB THR A 22 16.527 7.894 -2.736 1.00 0.00 C ATOM 379 OG1 THR A 22 16.182 6.774 -3.559 1.00 0.00 O ATOM 380 CG2 THR A 22 17.812 8.527 -3.247 1.00 0.00 C ATOM 0 H THR A 22 14.631 7.015 -1.223 1.00 0.00 H new ATOM 0 HA THR A 22 17.535 6.768 -1.194 1.00 0.00 H new ATOM 0 HB THR A 22 15.731 8.637 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.235 6.555 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.678 8.837 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.057 9.397 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.624 7.802 -3.187 1.00 0.00 H new ATOM 388 N LEU A 23 15.902 9.495 -0.241 1.00 0.00 N ATOM 389 CA LEU A 23 16.009 10.703 0.570 1.00 0.00 C ATOM 390 C LEU A 23 16.061 10.359 2.055 1.00 0.00 C ATOM 391 O LEU A 23 17.069 10.591 2.722 1.00 0.00 O ATOM 392 CB LEU A 23 14.827 11.634 0.292 1.00 0.00 C ATOM 393 CG LEU A 23 14.957 13.061 0.826 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.936 13.973 0.164 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.791 13.081 2.338 1.00 0.00 C ATOM 0 H LEU A 23 14.985 9.350 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 23 16.935 11.211 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.675 11.683 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.930 11.187 0.720 1.00 0.00 H new ATOM 0 HG LEU A 23 15.954 13.430 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.043 14.984 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.101 13.982 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.931 13.607 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.886 14.104 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.807 12.693 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.560 12.460 2.797 1.00 0.00 H new ATOM 407 N PHE A 24 14.968 9.801 2.567 1.00 0.00 N ATOM 408 CA PHE A 24 14.890 9.423 3.973 1.00 0.00 C ATOM 409 C PHE A 24 16.170 8.725 4.421 1.00 0.00 C ATOM 410 O PHE A 24 16.639 8.924 5.541 1.00 0.00 O ATOM 411 CB PHE A 24 13.686 8.509 4.211 1.00 0.00 C ATOM 412 CG PHE A 24 13.626 7.946 5.602 1.00 0.00 C ATOM 413 CD1 PHE A 24 14.281 6.766 5.915 1.00 0.00 C ATOM 414 CD2 PHE A 24 12.917 8.599 6.598 1.00 0.00 C ATOM 415 CE1 PHE A 24 14.226 6.246 7.195 1.00 0.00 C ATOM 416 CE2 PHE A 24 12.859 8.084 7.879 1.00 0.00 C ATOM 417 CZ PHE A 24 13.516 6.906 8.178 1.00 0.00 C ATOM 0 H PHE A 24 14.125 9.601 2.029 1.00 0.00 H new ATOM 0 HA PHE A 24 14.769 10.332 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.771 9.068 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.717 7.687 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 24 14.841 6.247 5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 24 12.404 9.521 6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.738 5.324 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.301 8.602 8.645 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.474 6.502 9.179 1.00 0.00 H new ATOM 427 N ASN A 25 16.730 7.904 3.538 1.00 0.00 N ATOM 428 CA ASN A 25 17.955 7.174 3.842 1.00 0.00 C ATOM 429 C ASN A 25 19.173 8.088 3.736 1.00 0.00 C ATOM 430 O ASN A 25 20.064 8.049 4.583 1.00 0.00 O ATOM 431 CB ASN A 25 18.113 5.984 2.893 1.00 0.00 C ATOM 432 CG ASN A 25 19.224 5.046 3.323 1.00 0.00 C ATOM 433 OD1 ASN A 25 19.413 4.793 4.513 1.00 0.00 O ATOM 434 ND2 ASN A 25 19.966 4.524 2.353 1.00 0.00 N ATOM 0 H ASN A 25 16.355 7.728 2.606 1.00 0.00 H new ATOM 0 HA ASN A 25 17.885 6.807 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.174 5.433 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.319 6.350 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.728 3.886 2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 25 19.774 4.761 1.380 1.00 0.00 H new ATOM 441 N GLU A 26 19.201 8.908 2.691 1.00 0.00 N ATOM 442 CA GLU A 26 20.310 9.831 2.475 1.00 0.00 C ATOM 443 C GLU A 26 20.563 10.678 3.719 1.00 0.00 C ATOM 444 O GLU A 26 21.703 10.836 4.155 1.00 0.00 O ATOM 445 CB GLU A 26 20.021 10.738 1.277 1.00 0.00 C ATOM 446 CG GLU A 26 21.105 11.772 1.022 1.00 0.00 C ATOM 447 CD GLU A 26 22.502 11.201 1.166 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.753 10.105 0.624 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.344 11.850 1.822 1.00 0.00 O ATOM 0 H GLU A 26 18.470 8.953 1.981 1.00 0.00 H new ATOM 0 HA GLU A 26 21.204 9.243 2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.901 10.122 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.073 11.250 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.985 12.179 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.982 12.601 1.719 1.00 0.00 H new ATOM 456 N THR A 27 19.490 11.221 4.286 1.00 0.00 N ATOM 457 CA THR A 27 19.594 12.054 5.477 1.00 0.00 C ATOM 458 C THR A 27 18.219 12.505 5.955 1.00 0.00 C ATOM 459 O THR A 27 17.207 12.228 5.311 1.00 0.00 O ATOM 460 CB THR A 27 20.469 13.295 5.221 1.00 0.00 C ATOM 461 OG1 THR A 27 20.653 13.483 3.814 1.00 0.00 O ATOM 462 CG2 THR A 27 21.824 13.152 5.899 1.00 0.00 C ATOM 0 H THR A 27 18.539 11.098 3.939 1.00 0.00 H new ATOM 0 HA THR A 27 20.061 11.443 6.249 1.00 0.00 H new ATOM 0 HB THR A 27 19.960 14.163 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.209 14.275 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.424 14.041 5.704 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.683 13.038 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.337 12.274 5.506 1.00 0.00 H new ATOM 470 N GLN A 28 18.190 13.203 7.086 1.00 0.00 N ATOM 471 CA GLN A 28 16.937 13.693 7.648 1.00 0.00 C ATOM 472 C GLN A 28 16.804 15.200 7.451 1.00 0.00 C ATOM 473 O GLN A 28 16.373 15.918 8.353 1.00 0.00 O ATOM 474 CB GLN A 28 16.854 13.352 9.137 1.00 0.00 C ATOM 475 CG GLN A 28 16.827 11.859 9.419 1.00 0.00 C ATOM 476 CD GLN A 28 17.266 11.523 10.830 1.00 0.00 C ATOM 477 OE1 GLN A 28 17.158 12.347 11.739 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.764 10.307 11.023 1.00 0.00 N ATOM 0 H GLN A 28 19.019 13.442 7.630 1.00 0.00 H new ATOM 0 HA GLN A 28 16.117 13.203 7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.707 13.795 9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.957 13.809 9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.818 11.481 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.477 11.347 8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.836 9.655 10.242 1.00 0.00 H new ATOM 0 HE22 GLN A 28 18.075 10.025 11.953 1.00 0.00 H new ATOM 487 N TYR A 29 17.178 15.671 6.267 1.00 0.00 N ATOM 488 CA TYR A 29 17.103 17.093 5.953 1.00 0.00 C ATOM 489 C TYR A 29 16.031 17.363 4.901 1.00 0.00 C ATOM 490 O TYR A 29 16.317 17.536 3.716 1.00 0.00 O ATOM 491 CB TYR A 29 18.459 17.599 5.457 1.00 0.00 C ATOM 492 CG TYR A 29 19.586 17.373 6.439 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.450 17.728 7.776 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.787 16.806 6.031 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.477 17.524 8.677 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.818 16.597 6.925 1.00 0.00 C ATOM 497 CZ TYR A 29 21.659 16.958 8.247 1.00 0.00 C ATOM 498 OH TYR A 29 22.685 16.753 9.141 1.00 0.00 O ATOM 0 H TYR A 29 17.536 15.090 5.509 1.00 0.00 H new ATOM 0 HA TYR A 29 16.834 17.627 6.865 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.701 17.102 4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.383 18.665 5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.526 18.171 8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.916 16.524 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.355 17.806 9.712 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.744 16.153 6.591 1.00 0.00 H new ATOM 0 HH TYR A 29 23.446 16.345 8.678 1.00 0.00 H new ATOM 508 N PRO A 30 14.766 17.401 5.344 1.00 0.00 N ATOM 509 CA PRO A 30 13.625 17.650 4.458 1.00 0.00 C ATOM 510 C PRO A 30 13.592 19.086 3.946 1.00 0.00 C ATOM 511 O PRO A 30 12.813 19.909 4.427 1.00 0.00 O ATOM 512 CB PRO A 30 12.414 17.374 5.353 1.00 0.00 C ATOM 513 CG PRO A 30 12.905 17.614 6.739 1.00 0.00 C ATOM 514 CD PRO A 30 14.352 17.203 6.743 1.00 0.00 C ATOM 0 HA PRO A 30 13.661 17.029 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.582 18.034 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.056 16.352 5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.797 18.663 7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.332 17.033 7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.941 17.814 7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.474 16.166 7.056 1.00 0.00 H new ATOM 522 N ASP A 31 14.441 19.380 2.967 1.00 0.00 N ATOM 523 CA ASP A 31 14.507 20.717 2.388 1.00 0.00 C ATOM 524 C ASP A 31 14.299 20.666 0.878 1.00 0.00 C ATOM 525 O ASP A 31 14.250 19.589 0.283 1.00 0.00 O ATOM 526 CB ASP A 31 15.854 21.368 2.709 1.00 0.00 C ATOM 527 CG ASP A 31 15.756 22.876 2.819 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.681 23.374 3.215 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.754 23.560 2.510 1.00 0.00 O ATOM 0 H ASP A 31 15.093 18.711 2.558 1.00 0.00 H new ATOM 0 HA ASP A 31 13.709 21.316 2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.236 20.962 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.574 21.109 1.932 1.00 0.00 H new ATOM 534 N VAL A 32 14.177 21.838 0.263 1.00 0.00 N ATOM 535 CA VAL A 32 13.974 21.927 -1.178 1.00 0.00 C ATOM 536 C VAL A 32 15.039 21.139 -1.933 1.00 0.00 C ATOM 537 O VAL A 32 14.751 20.494 -2.942 1.00 0.00 O ATOM 538 CB VAL A 32 13.998 23.390 -1.659 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.649 24.052 -1.422 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.109 24.161 -0.963 1.00 0.00 C ATOM 0 H VAL A 32 14.215 22.739 0.740 1.00 0.00 H new ATOM 0 HA VAL A 32 12.993 21.499 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 32 14.197 23.399 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.685 25.085 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.877 23.512 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.417 24.034 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.111 25.193 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.943 24.145 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.070 23.698 -1.189 1.00 0.00 H new ATOM 550 N PHE A 33 16.270 21.194 -1.437 1.00 0.00 N ATOM 551 CA PHE A 33 17.380 20.485 -2.065 1.00 0.00 C ATOM 552 C PHE A 33 17.097 18.987 -2.136 1.00 0.00 C ATOM 553 O PHE A 33 17.656 18.278 -2.973 1.00 0.00 O ATOM 554 CB PHE A 33 18.676 20.735 -1.291 1.00 0.00 C ATOM 555 CG PHE A 33 19.798 21.243 -2.150 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.621 22.353 -2.959 1.00 0.00 C ATOM 557 CD2 PHE A 33 21.031 20.610 -2.147 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.652 22.822 -3.751 1.00 0.00 C ATOM 559 CE2 PHE A 33 22.066 21.075 -2.937 1.00 0.00 C ATOM 560 CZ PHE A 33 21.877 22.183 -3.739 1.00 0.00 C ATOM 0 H PHE A 33 16.525 21.722 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 33 17.493 20.864 -3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.482 21.456 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 33 18.988 19.807 -0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.666 22.858 -2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.185 19.744 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.500 23.687 -4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 33 23.022 20.572 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.685 22.549 -4.355 1.00 0.00 H new ATOM 570 N ALA A 34 16.226 18.513 -1.252 1.00 0.00 N ATOM 571 CA ALA A 34 15.868 17.100 -1.215 1.00 0.00 C ATOM 572 C ALA A 34 14.717 16.800 -2.170 1.00 0.00 C ATOM 573 O ALA A 34 14.882 16.065 -3.143 1.00 0.00 O ATOM 574 CB ALA A 34 15.501 16.686 0.203 1.00 0.00 C ATOM 0 H ALA A 34 15.755 19.086 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 34 16.734 16.522 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.236 15.629 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.352 16.855 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.652 17.277 0.547 1.00 0.00 H new ATOM 580 N ARG A 35 13.553 17.373 -1.884 1.00 0.00 N ATOM 581 CA ARG A 35 12.374 17.165 -2.717 1.00 0.00 C ATOM 582 C ARG A 35 12.676 17.493 -4.177 1.00 0.00 C ATOM 583 O ARG A 35 12.283 16.757 -5.082 1.00 0.00 O ATOM 584 CB ARG A 35 11.213 18.027 -2.219 1.00 0.00 C ATOM 585 CG ARG A 35 11.576 19.491 -2.033 1.00 0.00 C ATOM 586 CD ARG A 35 10.393 20.299 -1.523 1.00 0.00 C ATOM 587 NE ARG A 35 10.734 21.082 -0.339 1.00 0.00 N ATOM 588 CZ ARG A 35 10.065 22.163 0.045 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.024 22.587 -0.658 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.437 22.822 1.135 1.00 0.00 N ATOM 0 H ARG A 35 13.401 17.985 -1.082 1.00 0.00 H new ATOM 0 HA ARG A 35 12.092 16.114 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.388 17.953 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.856 17.627 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.405 19.575 -1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.919 19.905 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.044 20.967 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.569 19.626 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 35 11.530 20.782 0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.735 22.083 -1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.512 23.418 -0.361 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.237 22.498 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.923 23.652 1.429 1.00 0.00 H new ATOM 604 N GLU A 36 13.374 18.603 -4.397 1.00 0.00 N ATOM 605 CA GLU A 36 13.726 19.029 -5.746 1.00 0.00 C ATOM 606 C GLU A 36 14.671 18.027 -6.403 1.00 0.00 C ATOM 607 O GLU A 36 14.748 17.942 -7.629 1.00 0.00 O ATOM 608 CB GLU A 36 14.374 20.414 -5.716 1.00 0.00 C ATOM 609 CG GLU A 36 14.697 20.966 -7.094 1.00 0.00 C ATOM 610 CD GLU A 36 14.703 22.482 -7.129 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.637 23.100 -6.045 1.00 0.00 O ATOM 612 OE2 GLU A 36 14.774 23.050 -8.238 1.00 0.00 O ATOM 0 H GLU A 36 13.707 19.223 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 36 12.810 19.078 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.706 21.107 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.292 20.364 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.672 20.595 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.966 20.593 -7.811 1.00 0.00 H new ATOM 619 N ARG A 37 15.389 17.271 -5.579 1.00 0.00 N ATOM 620 CA ARG A 37 16.331 16.277 -6.079 1.00 0.00 C ATOM 621 C ARG A 37 15.604 15.001 -6.495 1.00 0.00 C ATOM 622 O ARG A 37 15.614 14.622 -7.666 1.00 0.00 O ATOM 623 CB ARG A 37 17.379 15.954 -5.012 1.00 0.00 C ATOM 624 CG ARG A 37 18.420 14.945 -5.467 1.00 0.00 C ATOM 625 CD ARG A 37 19.025 14.199 -4.288 1.00 0.00 C ATOM 626 NE ARG A 37 20.114 14.948 -3.666 1.00 0.00 N ATOM 627 CZ ARG A 37 21.342 15.012 -4.168 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.636 14.376 -5.293 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.279 15.715 -3.544 1.00 0.00 N ATOM 0 H ARG A 37 15.336 17.328 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 37 16.830 16.693 -6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.882 16.875 -4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.876 15.569 -4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.962 14.233 -6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.209 15.457 -6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.250 14.003 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.397 13.231 -4.624 1.00 0.00 H new ATOM 0 HE ARG A 37 19.921 15.449 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.918 13.835 -5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.580 14.427 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.056 16.206 -2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.222 15.764 -3.930 1.00 0.00 H new ATOM 643 N VAL A 38 14.974 14.342 -5.528 1.00 0.00 N ATOM 644 CA VAL A 38 14.243 13.109 -5.793 1.00 0.00 C ATOM 645 C VAL A 38 13.227 13.304 -6.914 1.00 0.00 C ATOM 646 O VAL A 38 12.853 12.352 -7.598 1.00 0.00 O ATOM 647 CB VAL A 38 13.511 12.608 -4.534 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.487 11.931 -3.583 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.792 13.757 -3.843 1.00 0.00 C ATOM 0 H VAL A 38 14.955 14.642 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 38 14.978 12.364 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 38 12.766 11.873 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.952 11.583 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.952 11.081 -4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.257 12.642 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.280 13.385 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.517 14.517 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.063 14.193 -4.526 1.00 0.00 H new ATOM 659 N ALA A 39 12.785 14.544 -7.095 1.00 0.00 N ATOM 660 CA ALA A 39 11.814 14.864 -8.135 1.00 0.00 C ATOM 661 C ALA A 39 12.320 14.436 -9.508 1.00 0.00 C ATOM 662 O ALA A 39 11.532 14.103 -10.394 1.00 0.00 O ATOM 663 CB ALA A 39 11.503 16.353 -8.125 1.00 0.00 C ATOM 0 H ALA A 39 13.083 15.343 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 39 10.898 14.311 -7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.777 16.578 -8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.091 16.632 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.418 16.917 -8.306 1.00 0.00 H new ATOM 669 N ASP A 40 13.637 14.449 -9.679 1.00 0.00 N ATOM 670 CA ASP A 40 14.248 14.062 -10.946 1.00 0.00 C ATOM 671 C ASP A 40 14.432 12.550 -11.020 1.00 0.00 C ATOM 672 O ASP A 40 14.657 11.995 -12.095 1.00 0.00 O ATOM 673 CB ASP A 40 15.596 14.762 -11.121 1.00 0.00 C ATOM 674 CG ASP A 40 16.016 14.852 -12.575 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.652 15.846 -13.238 1.00 0.00 O ATOM 676 OD2 ASP A 40 16.710 13.929 -13.050 1.00 0.00 O ATOM 0 H ASP A 40 14.303 14.723 -8.956 1.00 0.00 H new ATOM 0 HA ASP A 40 13.581 14.369 -11.752 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.539 15.766 -10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.358 14.223 -10.558 1.00 0.00 H new ATOM 681 N GLN A 41 14.337 11.890 -9.870 1.00 0.00 N ATOM 682 CA GLN A 41 14.496 10.442 -9.806 1.00 0.00 C ATOM 683 C GLN A 41 13.227 9.734 -10.269 1.00 0.00 C ATOM 684 O GLN A 41 13.273 8.866 -11.142 1.00 0.00 O ATOM 685 CB GLN A 41 14.845 10.009 -8.381 1.00 0.00 C ATOM 686 CG GLN A 41 16.176 10.552 -7.888 1.00 0.00 C ATOM 687 CD GLN A 41 17.361 9.802 -8.463 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.529 9.722 -9.681 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.192 9.247 -7.589 1.00 0.00 N ATOM 0 H GLN A 41 14.151 12.335 -8.971 1.00 0.00 H new ATOM 0 HA GLN A 41 15.311 10.161 -10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.055 10.339 -7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.868 8.920 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.255 11.606 -8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.207 10.494 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.015 9.338 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.007 8.730 -7.918 1.00 0.00 H new ATOM 698 N ILE A 42 12.097 10.109 -9.679 1.00 0.00 N ATOM 699 CA ILE A 42 10.816 9.510 -10.032 1.00 0.00 C ATOM 700 C ILE A 42 10.136 10.287 -11.154 1.00 0.00 C ATOM 701 O ILE A 42 9.086 9.885 -11.654 1.00 0.00 O ATOM 702 CB ILE A 42 9.870 9.448 -8.818 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.241 10.819 -8.564 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.621 8.966 -7.586 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.174 10.805 -7.492 1.00 0.00 C ATOM 0 H ILE A 42 12.043 10.825 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 42 11.025 8.495 -10.371 1.00 0.00 H new ATOM 0 HB ILE A 42 9.072 8.738 -9.033 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.024 11.521 -8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.806 11.188 -9.493 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.939 8.927 -6.736 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.025 7.971 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.437 9.654 -7.365 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.772 11.810 -7.365 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.372 10.128 -7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.608 10.466 -6.551 1.00 0.00 H new ATOM 717 N ARG A 43 10.743 11.403 -11.545 1.00 0.00 N ATOM 718 CA ARG A 43 10.197 12.238 -12.608 1.00 0.00 C ATOM 719 C ARG A 43 8.889 12.891 -12.169 1.00 0.00 C ATOM 720 O ARG A 43 7.851 12.718 -12.808 1.00 0.00 O ATOM 721 CB ARG A 43 9.964 11.405 -13.870 1.00 0.00 C ATOM 722 CG ARG A 43 9.822 12.239 -15.133 1.00 0.00 C ATOM 723 CD ARG A 43 11.094 13.017 -15.433 1.00 0.00 C ATOM 724 NE ARG A 43 11.037 13.679 -16.733 1.00 0.00 N ATOM 725 CZ ARG A 43 11.996 14.473 -17.197 1.00 0.00 C ATOM 726 NH1 ARG A 43 13.082 14.700 -16.470 1.00 0.00 N ATOM 727 NH2 ARG A 43 11.871 15.040 -18.390 1.00 0.00 N ATOM 0 H ARG A 43 11.613 11.750 -11.141 1.00 0.00 H new ATOM 0 HA ARG A 43 10.920 13.024 -12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.795 10.710 -13.995 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.064 10.805 -13.738 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.585 11.589 -15.975 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.988 12.932 -15.021 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.256 13.762 -14.654 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.948 12.340 -15.408 1.00 0.00 H new ATOM 0 HE ARG A 43 10.216 13.523 -17.317 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.182 14.265 -15.553 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.817 15.310 -16.828 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.038 14.867 -18.952 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.608 15.649 -18.745 1.00 0.00 H new ATOM 741 N LEU A 44 8.948 13.642 -11.075 1.00 0.00 N ATOM 742 CA LEU A 44 7.769 14.322 -10.549 1.00 0.00 C ATOM 743 C LEU A 44 8.115 15.735 -10.091 1.00 0.00 C ATOM 744 O LEU A 44 9.286 16.077 -9.933 1.00 0.00 O ATOM 745 CB LEU A 44 7.174 13.527 -9.386 1.00 0.00 C ATOM 746 CG LEU A 44 5.787 13.965 -8.913 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.799 13.944 -10.069 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.304 13.072 -7.780 1.00 0.00 C ATOM 0 H LEU A 44 9.799 13.796 -10.535 1.00 0.00 H new ATOM 0 HA LEU A 44 7.032 14.390 -11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.122 12.478 -9.678 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.860 13.589 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 44 5.856 14.987 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.817 14.258 -9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.138 14.625 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.733 12.934 -10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.316 13.398 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.250 12.040 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.000 13.137 -6.944 1.00 0.00 H new ATOM 760 N GLN A 45 7.087 16.550 -9.877 1.00 0.00 N ATOM 761 CA GLN A 45 7.282 17.925 -9.435 1.00 0.00 C ATOM 762 C GLN A 45 8.045 17.970 -8.114 1.00 0.00 C ATOM 763 O GLN A 45 7.922 17.068 -7.286 1.00 0.00 O ATOM 764 CB GLN A 45 5.934 18.631 -9.282 1.00 0.00 C ATOM 765 CG GLN A 45 5.642 19.631 -10.390 1.00 0.00 C ATOM 766 CD GLN A 45 6.583 20.819 -10.367 1.00 0.00 C ATOM 767 OE1 GLN A 45 7.158 21.150 -9.330 1.00 0.00 O ATOM 768 NE2 GLN A 45 6.746 21.467 -11.514 1.00 0.00 N ATOM 0 H GLN A 45 6.111 16.282 -10.003 1.00 0.00 H new ATOM 0 HA GLN A 45 7.871 18.442 -10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.142 17.883 -9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.910 19.147 -8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.718 19.130 -11.355 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.615 19.984 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.249 21.158 -12.349 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.368 22.274 -11.560 1.00 0.00 H new ATOM 777 N GLU A 46 8.832 19.025 -7.926 1.00 0.00 N ATOM 778 CA GLU A 46 9.615 19.185 -6.706 1.00 0.00 C ATOM 779 C GLU A 46 8.705 19.409 -5.502 1.00 0.00 C ATOM 780 O GLU A 46 8.909 18.822 -4.439 1.00 0.00 O ATOM 781 CB GLU A 46 10.589 20.356 -6.849 1.00 0.00 C ATOM 782 CG GLU A 46 9.914 21.667 -7.215 1.00 0.00 C ATOM 783 CD GLU A 46 10.754 22.515 -8.150 1.00 0.00 C ATOM 784 OE1 GLU A 46 10.733 22.251 -9.371 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.433 23.442 -7.661 1.00 0.00 O ATOM 0 H GLU A 46 8.944 19.781 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 46 10.182 18.268 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.130 20.485 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.328 20.112 -7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.953 21.458 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.708 22.231 -6.306 1.00 0.00 H new ATOM 792 N SER A 47 7.702 20.263 -5.676 1.00 0.00 N ATOM 793 CA SER A 47 6.763 20.569 -4.602 1.00 0.00 C ATOM 794 C SER A 47 5.715 19.469 -4.467 1.00 0.00 C ATOM 795 O SER A 47 5.085 19.322 -3.420 1.00 0.00 O ATOM 796 CB SER A 47 6.079 21.912 -4.862 1.00 0.00 C ATOM 797 OG SER A 47 6.922 22.993 -4.500 1.00 0.00 O ATOM 0 H SER A 47 7.518 20.756 -6.550 1.00 0.00 H new ATOM 0 HA SER A 47 7.323 20.629 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.814 21.991 -5.916 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.150 21.966 -4.295 1.00 0.00 H new ATOM 0 HG SER A 47 6.462 23.840 -4.678 1.00 0.00 H new ATOM 803 N ARG A 48 5.534 18.699 -5.535 1.00 0.00 N ATOM 804 CA ARG A 48 4.561 17.613 -5.537 1.00 0.00 C ATOM 805 C ARG A 48 5.128 16.374 -4.849 1.00 0.00 C ATOM 806 O ARG A 48 4.456 15.746 -4.030 1.00 0.00 O ATOM 807 CB ARG A 48 4.151 17.270 -6.971 1.00 0.00 C ATOM 808 CG ARG A 48 3.112 16.164 -7.059 1.00 0.00 C ATOM 809 CD ARG A 48 1.824 16.551 -6.349 1.00 0.00 C ATOM 810 NE ARG A 48 1.204 17.731 -6.946 1.00 0.00 N ATOM 811 CZ ARG A 48 0.031 18.220 -6.559 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.645 17.634 -5.580 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.469 19.297 -7.152 1.00 0.00 N ATOM 0 H ARG A 48 6.048 18.807 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 48 3.682 17.945 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.758 18.166 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.037 16.970 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.900 15.945 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.512 15.251 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.124 15.716 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.034 16.745 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 48 1.699 18.206 -7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.264 16.806 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.545 18.012 -5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.047 19.750 -7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.370 19.671 -6.854 1.00 0.00 H new ATOM 827 N ILE A 49 6.366 16.030 -5.187 1.00 0.00 N ATOM 828 CA ILE A 49 7.022 14.868 -4.601 1.00 0.00 C ATOM 829 C ILE A 49 6.985 14.925 -3.078 1.00 0.00 C ATOM 830 O ILE A 49 7.078 13.898 -2.407 1.00 0.00 O ATOM 831 CB ILE A 49 8.486 14.755 -5.064 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.881 13.286 -5.227 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.409 15.451 -4.075 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.275 13.093 -5.783 1.00 0.00 C ATOM 0 H ILE A 49 6.935 16.539 -5.863 1.00 0.00 H new ATOM 0 HA ILE A 49 6.473 13.991 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 49 8.585 15.247 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.813 12.790 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.164 12.797 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.441 15.363 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.139 16.505 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.310 14.985 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.487 12.028 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.342 13.559 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.001 13.553 -5.113 1.00 0.00 H new ATOM 846 N GLN A 50 6.845 16.132 -2.540 1.00 0.00 N ATOM 847 CA GLN A 50 6.795 16.323 -1.095 1.00 0.00 C ATOM 848 C GLN A 50 5.662 15.509 -0.478 1.00 0.00 C ATOM 849 O GLN A 50 5.830 14.889 0.572 1.00 0.00 O ATOM 850 CB GLN A 50 6.614 17.805 -0.762 1.00 0.00 C ATOM 851 CG GLN A 50 7.656 18.342 0.207 1.00 0.00 C ATOM 852 CD GLN A 50 7.456 19.810 0.525 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.074 20.598 -0.341 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.712 20.187 1.772 1.00 0.00 N ATOM 0 H GLN A 50 6.764 16.992 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 50 7.739 15.976 -0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.655 18.384 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.622 17.955 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.618 17.766 1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.650 18.198 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.027 19.501 2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.594 21.163 2.044 1.00 0.00 H new ATOM 863 N VAL A 51 4.508 15.516 -1.137 1.00 0.00 N ATOM 864 CA VAL A 51 3.347 14.778 -0.654 1.00 0.00 C ATOM 865 C VAL A 51 3.603 13.275 -0.677 1.00 0.00 C ATOM 866 O VAL A 51 3.077 12.533 0.153 1.00 0.00 O ATOM 867 CB VAL A 51 2.095 15.088 -1.495 1.00 0.00 C ATOM 868 CG1 VAL A 51 1.960 16.586 -1.720 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.146 14.343 -2.820 1.00 0.00 C ATOM 0 H VAL A 51 4.352 16.025 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 51 3.173 15.098 0.373 1.00 0.00 H new ATOM 0 HB VAL A 51 1.217 14.747 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.070 16.786 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.874 17.092 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.840 16.956 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.253 14.574 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.031 14.651 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.190 13.270 -2.633 1.00 0.00 H new ATOM 879 N TRP A 52 4.413 12.834 -1.633 1.00 0.00 N ATOM 880 CA TRP A 52 4.739 11.418 -1.764 1.00 0.00 C ATOM 881 C TRP A 52 5.888 11.036 -0.838 1.00 0.00 C ATOM 882 O TRP A 52 6.089 9.860 -0.536 1.00 0.00 O ATOM 883 CB TRP A 52 5.104 11.091 -3.213 1.00 0.00 C ATOM 884 CG TRP A 52 3.917 10.748 -4.062 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.053 11.624 -4.653 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.464 9.436 -4.412 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.089 10.935 -5.350 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.320 9.591 -5.219 1.00 0.00 C ATOM 889 CE3 TRP A 52 3.915 8.145 -4.125 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.622 8.504 -5.738 1.00 0.00 C ATOM 891 CZ3 TRP A 52 3.221 7.067 -4.641 1.00 0.00 C ATOM 892 CH2 TRP A 52 2.086 7.252 -5.440 1.00 0.00 C ATOM 0 H TRP A 52 4.856 13.435 -2.328 1.00 0.00 H new ATOM 0 HA TRP A 52 3.860 10.840 -1.478 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.621 11.945 -3.651 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.803 10.255 -3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.117 12.700 -4.583 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.325 11.356 -5.879 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.790 7.992 -3.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.746 8.644 -6.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.560 6.065 -4.424 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.566 6.389 -5.829 1.00 0.00 H new ATOM 903 N PHE A 53 6.639 12.037 -0.390 1.00 0.00 N ATOM 904 CA PHE A 53 7.770 11.804 0.501 1.00 0.00 C ATOM 905 C PHE A 53 7.320 11.097 1.777 1.00 0.00 C ATOM 906 O PHE A 53 8.129 10.504 2.490 1.00 0.00 O ATOM 907 CB PHE A 53 8.450 13.129 0.852 1.00 0.00 C ATOM 908 CG PHE A 53 9.582 12.981 1.829 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.632 12.116 1.567 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.596 13.708 3.008 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.674 11.978 2.464 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.636 13.574 3.909 1.00 0.00 C ATOM 913 CZ PHE A 53 11.676 12.708 3.636 1.00 0.00 C ATOM 0 H PHE A 53 6.485 13.017 -0.629 1.00 0.00 H new ATOM 0 HA PHE A 53 8.483 11.163 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.827 13.588 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.708 13.810 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.636 11.543 0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.785 14.387 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.486 11.300 2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.635 14.146 4.825 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.490 12.602 4.338 1.00 0.00 H new ATOM 923 N LYS A 54 6.023 11.166 2.058 1.00 0.00 N ATOM 924 CA LYS A 54 5.463 10.533 3.246 1.00 0.00 C ATOM 925 C LYS A 54 5.077 9.085 2.961 1.00 0.00 C ATOM 926 O LYS A 54 4.875 8.294 3.881 1.00 0.00 O ATOM 927 CB LYS A 54 4.239 11.312 3.735 1.00 0.00 C ATOM 928 CG LYS A 54 4.191 11.484 5.243 1.00 0.00 C ATOM 929 CD LYS A 54 2.780 11.310 5.779 1.00 0.00 C ATOM 930 CE LYS A 54 2.783 11.008 7.270 1.00 0.00 C ATOM 931 NZ LYS A 54 1.867 11.911 8.021 1.00 0.00 N ATOM 0 H LYS A 54 5.340 11.654 1.479 1.00 0.00 H new ATOM 0 HA LYS A 54 6.226 10.540 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.233 12.295 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.336 10.797 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.853 10.757 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.563 12.473 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.204 12.216 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.284 10.501 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.484 9.972 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.796 11.112 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.898 11.673 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.167 12.898 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.896 11.793 7.667 1.00 0.00 H new ATOM 945 N ASN A 55 4.978 8.746 1.679 1.00 0.00 N ATOM 946 CA ASN A 55 4.617 7.392 1.273 1.00 0.00 C ATOM 947 C ASN A 55 5.291 6.358 2.169 1.00 0.00 C ATOM 948 O ASN A 55 4.634 5.692 2.969 1.00 0.00 O ATOM 949 CB ASN A 55 5.010 7.154 -0.186 1.00 0.00 C ATOM 950 CG ASN A 55 5.004 5.682 -0.553 1.00 0.00 C ATOM 951 OD1 ASN A 55 4.153 4.920 -0.095 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.958 5.276 -1.383 1.00 0.00 N ATOM 0 H ASN A 55 5.142 9.389 0.905 1.00 0.00 H new ATOM 0 HA ASN A 55 3.537 7.284 1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.321 7.691 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.003 7.566 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.006 4.297 -1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.643 5.943 -1.738 1.00 0.00 H new ATOM 959 N ARG A 56 6.607 6.229 2.028 1.00 0.00 N ATOM 960 CA ARG A 56 7.370 5.275 2.823 1.00 0.00 C ATOM 961 C ARG A 56 7.776 5.885 4.162 1.00 0.00 C ATOM 962 O ARG A 56 7.724 5.222 5.198 1.00 0.00 O ATOM 963 CB ARG A 56 8.616 4.823 2.059 1.00 0.00 C ATOM 964 CG ARG A 56 9.092 3.430 2.440 1.00 0.00 C ATOM 965 CD ARG A 56 10.514 3.455 2.977 1.00 0.00 C ATOM 966 NE ARG A 56 10.578 3.998 4.331 1.00 0.00 N ATOM 967 CZ ARG A 56 11.619 3.835 5.140 1.00 0.00 C ATOM 968 NH1 ARG A 56 12.678 3.149 4.733 1.00 0.00 N ATOM 969 NH2 ARG A 56 11.602 4.360 6.359 1.00 0.00 N ATOM 0 H ARG A 56 7.166 6.773 1.371 1.00 0.00 H new ATOM 0 HA ARG A 56 6.735 4.410 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.405 4.846 0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.421 5.535 2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.425 3.010 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.042 2.776 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.921 2.444 2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.141 4.054 2.316 1.00 0.00 H new ATOM 0 HE ARG A 56 9.780 4.532 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.695 2.745 3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.476 3.025 5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.789 4.889 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.402 4.234 6.980 1.00 0.00 H new ATOM 983 N ARG A 57 8.179 7.151 4.132 1.00 0.00 N ATOM 984 CA ARG A 57 8.595 7.849 5.342 1.00 0.00 C ATOM 985 C ARG A 57 7.574 7.657 6.459 1.00 0.00 C ATOM 986 O ARG A 57 7.925 7.641 7.638 1.00 0.00 O ATOM 987 CB ARG A 57 8.780 9.341 5.057 1.00 0.00 C ATOM 988 CG ARG A 57 9.017 10.174 6.306 1.00 0.00 C ATOM 989 CD ARG A 57 7.720 10.768 6.834 1.00 0.00 C ATOM 990 NE ARG A 57 7.949 11.995 7.592 1.00 0.00 N ATOM 991 CZ ARG A 57 8.485 12.019 8.807 1.00 0.00 C ATOM 992 NH1 ARG A 57 8.846 10.889 9.398 1.00 0.00 N ATOM 993 NH2 ARG A 57 8.662 13.176 9.433 1.00 0.00 N ATOM 0 H ARG A 57 8.226 7.714 3.283 1.00 0.00 H new ATOM 0 HA ARG A 57 9.546 7.427 5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.623 9.471 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.896 9.717 4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.475 9.554 7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.721 10.976 6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.051 10.977 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.219 10.038 7.469 1.00 0.00 H new ATOM 0 HE ARG A 57 7.683 12.882 7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.712 9.998 8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.257 10.910 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.386 14.048 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.074 13.193 10.366 1.00 0.00 H new ATOM 1007 N ALA A 58 6.309 7.510 6.079 1.00 0.00 N ATOM 1008 CA ALA A 58 5.237 7.317 7.048 1.00 0.00 C ATOM 1009 C ALA A 58 5.043 5.838 7.364 1.00 0.00 C ATOM 1010 O ALA A 58 4.737 5.470 8.498 1.00 0.00 O ATOM 1011 CB ALA A 58 3.941 7.923 6.529 1.00 0.00 C ATOM 0 H ALA A 58 6.001 7.521 5.107 1.00 0.00 H new ATOM 0 HA ALA A 58 5.518 7.825 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.149 7.772 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.080 8.991 6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.664 7.441 5.591 1.00 0.00 H new ATOM 1017 N LYS A 59 5.223 4.994 6.354 1.00 0.00 N ATOM 1018 CA LYS A 59 5.068 3.554 6.523 1.00 0.00 C ATOM 1019 C LYS A 59 6.023 3.026 7.590 1.00 0.00 C ATOM 1020 O LYS A 59 5.808 1.952 8.152 1.00 0.00 O ATOM 1021 CB LYS A 59 5.320 2.833 5.197 1.00 0.00 C ATOM 1022 CG LYS A 59 4.066 2.236 4.582 1.00 0.00 C ATOM 1023 CD LYS A 59 2.969 3.277 4.429 1.00 0.00 C ATOM 1024 CE LYS A 59 2.171 3.063 3.153 1.00 0.00 C ATOM 1025 NZ LYS A 59 2.570 4.018 2.082 1.00 0.00 N ATOM 0 H LYS A 59 5.477 5.283 5.409 1.00 0.00 H new ATOM 0 HA LYS A 59 4.045 3.360 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.763 3.534 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.049 2.039 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.305 1.812 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.708 1.418 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.301 3.232 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.410 4.274 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.316 2.042 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.108 3.179 3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.761 4.626 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.358 4.608 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.870 3.488 1.239 1.00 0.00 H new ATOM 1039 N TYR A 60 7.076 3.787 7.864 1.00 0.00 N ATOM 1040 CA TYR A 60 8.064 3.396 8.862 1.00 0.00 C ATOM 1041 C TYR A 60 7.390 3.043 10.185 1.00 0.00 C ATOM 1042 O TYR A 60 7.917 2.255 10.971 1.00 0.00 O ATOM 1043 CB TYR A 60 9.077 4.521 9.077 1.00 0.00 C ATOM 1044 CG TYR A 60 8.732 5.434 10.231 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.641 6.292 10.162 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.498 5.440 11.391 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.322 7.128 11.215 1.00 0.00 C ATOM 1048 CE2 TYR A 60 9.185 6.273 12.448 1.00 0.00 C ATOM 1049 CZ TYR A 60 8.097 7.115 12.355 1.00 0.00 C ATOM 1050 OH TYR A 60 7.784 7.946 13.406 1.00 0.00 O ATOM 0 H TYR A 60 7.268 4.679 7.408 1.00 0.00 H new ATOM 0 HA TYR A 60 8.586 2.513 8.493 1.00 0.00 H new ATOM 0 HB2 TYR A 60 10.060 4.085 9.251 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.148 5.113 8.165 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.032 6.306 9.270 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.352 4.783 11.467 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.470 7.788 11.145 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.790 6.265 13.343 1.00 0.00 H new ATOM 0 HH TYR A 60 8.429 7.812 14.132 1.00 0.00 H new ATOM 1060 N ARG A 61 6.223 3.632 10.423 1.00 0.00 N ATOM 1061 CA ARG A 61 5.477 3.381 11.650 1.00 0.00 C ATOM 1062 C ARG A 61 4.711 2.064 11.561 1.00 0.00 C ATOM 1063 O ARG A 61 4.558 1.354 12.556 1.00 0.00 O ATOM 1064 CB ARG A 61 4.505 4.531 11.925 1.00 0.00 C ATOM 1065 CG ARG A 61 3.303 4.548 10.995 1.00 0.00 C ATOM 1066 CD ARG A 61 2.733 5.950 10.849 1.00 0.00 C ATOM 1067 NE ARG A 61 1.333 5.931 10.433 1.00 0.00 N ATOM 1068 CZ ARG A 61 0.328 5.630 11.248 1.00 0.00 C ATOM 1069 NH1 ARG A 61 0.568 5.326 12.516 1.00 0.00 N ATOM 1070 NH2 ARG A 61 -0.919 5.634 10.796 1.00 0.00 N ATOM 0 H ARG A 61 5.774 4.286 9.782 1.00 0.00 H new ATOM 0 HA ARG A 61 6.190 3.312 12.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.156 4.462 12.955 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.039 5.477 11.832 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.594 4.168 10.016 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.533 3.879 11.381 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.822 6.478 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.321 6.506 10.119 1.00 0.00 H new ATOM 0 HE ARG A 61 1.115 6.161 9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.526 5.323 12.867 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.205 5.095 13.140 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.107 5.868 9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.689 5.403 11.423 1.00 0.00 H new ATOM 1084 N LEU A 62 4.231 1.745 10.364 1.00 0.00 N ATOM 1085 CA LEU A 62 3.480 0.513 10.145 1.00 0.00 C ATOM 1086 C LEU A 62 4.347 -0.710 10.423 1.00 0.00 C ATOM 1087 O LEU A 62 3.949 -1.610 11.161 1.00 0.00 O ATOM 1088 CB LEU A 62 2.952 0.463 8.710 1.00 0.00 C ATOM 1089 CG LEU A 62 1.892 -0.601 8.422 1.00 0.00 C ATOM 1090 CD1 LEU A 62 0.965 -0.142 7.307 1.00 0.00 C ATOM 1091 CD2 LEU A 62 2.550 -1.924 8.060 1.00 0.00 C ATOM 0 H LEU A 62 4.348 2.322 9.531 1.00 0.00 H new ATOM 0 HA LEU A 62 2.637 0.502 10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.535 1.439 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.795 0.298 8.039 1.00 0.00 H new ATOM 0 HG LEU A 62 1.297 -0.748 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.217 -0.912 7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.468 0.781 7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.545 0.034 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.781 -2.670 7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.169 -1.792 7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.172 -2.260 8.890 1.00 0.00 H new