USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=5 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 Single : A 15 GLN : amide:sc= -1.8 K(o=-1.8,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.0027) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.569 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 28 GLN : amide:sc= -0.0958 X(o=-0.096,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.038) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.3!) USER MOD Single : A 59 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 9.422 1.382 -8.437 1.00 0.00 N ATOM 230 CA ARG A 14 10.187 1.663 -7.228 1.00 0.00 C ATOM 231 C ARG A 14 10.411 3.163 -7.063 1.00 0.00 C ATOM 232 O ARG A 14 10.733 3.635 -5.973 1.00 0.00 O ATOM 233 CB ARG A 14 11.533 0.937 -7.270 1.00 0.00 C ATOM 234 CG ARG A 14 12.389 1.310 -8.470 1.00 0.00 C ATOM 235 CD ARG A 14 12.374 0.216 -9.526 1.00 0.00 C ATOM 236 NE ARG A 14 13.653 0.111 -10.223 1.00 0.00 N ATOM 237 CZ ARG A 14 13.880 -0.739 -11.218 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.918 -1.553 -11.631 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.070 -0.775 -11.803 1.00 0.00 N ATOM 0 HA ARG A 14 9.614 1.302 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.085 1.160 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.356 -0.138 -7.281 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.024 2.241 -8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.414 1.490 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.138 -0.739 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.583 0.420 -10.248 1.00 0.00 H new ATOM 0 HE ARG A 14 14.414 0.724 -9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.001 -1.527 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.095 -2.205 -12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.812 -0.149 -11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.243 -1.428 -12.567 1.00 0.00 H new ATOM 253 N GLN A 15 10.238 3.906 -8.152 1.00 0.00 N ATOM 254 CA GLN A 15 10.422 5.352 -8.127 1.00 0.00 C ATOM 255 C GLN A 15 9.632 5.982 -6.984 1.00 0.00 C ATOM 256 O GLN A 15 10.181 6.736 -6.181 1.00 0.00 O ATOM 257 CB GLN A 15 9.990 5.966 -9.460 1.00 0.00 C ATOM 258 CG GLN A 15 10.998 5.760 -10.579 1.00 0.00 C ATOM 259 CD GLN A 15 11.136 4.304 -10.979 1.00 0.00 C ATOM 260 OE1 GLN A 15 10.181 3.684 -11.448 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.329 3.750 -10.797 1.00 0.00 N ATOM 0 H GLN A 15 9.971 3.530 -9.062 1.00 0.00 H new ATOM 0 HA GLN A 15 11.481 5.555 -7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.035 5.533 -9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.826 7.035 -9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.695 6.344 -11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.969 6.140 -10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.093 4.301 -10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.482 2.773 -11.049 1.00 0.00 H new ATOM 270 N GLN A 16 8.343 5.667 -6.918 1.00 0.00 N ATOM 271 CA GLN A 16 7.478 6.204 -5.874 1.00 0.00 C ATOM 272 C GLN A 16 8.052 5.915 -4.491 1.00 0.00 C ATOM 273 O GLN A 16 7.906 6.717 -3.567 1.00 0.00 O ATOM 274 CB GLN A 16 6.073 5.610 -5.990 1.00 0.00 C ATOM 275 CG GLN A 16 6.061 4.093 -6.096 1.00 0.00 C ATOM 276 CD GLN A 16 5.059 3.587 -7.114 1.00 0.00 C ATOM 277 OE1 GLN A 16 4.154 2.820 -6.784 1.00 0.00 O ATOM 278 NE2 GLN A 16 5.214 4.016 -8.362 1.00 0.00 N ATOM 0 H GLN A 16 7.874 5.043 -7.575 1.00 0.00 H new ATOM 0 HA GLN A 16 7.420 7.284 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.488 5.910 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.581 6.031 -6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.057 3.744 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.829 3.666 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.978 4.651 -8.592 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.569 3.710 -9.090 1.00 0.00 H new ATOM 287 N LEU A 17 8.705 4.767 -4.354 1.00 0.00 N ATOM 288 CA LEU A 17 9.301 4.372 -3.083 1.00 0.00 C ATOM 289 C LEU A 17 10.736 4.878 -2.973 1.00 0.00 C ATOM 290 O LEU A 17 11.346 4.816 -1.907 1.00 0.00 O ATOM 291 CB LEU A 17 9.273 2.849 -2.935 1.00 0.00 C ATOM 292 CG LEU A 17 7.904 2.186 -3.086 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.924 1.173 -4.220 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.486 1.521 -1.782 1.00 0.00 C ATOM 0 H LEU A 17 8.835 4.093 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 17 8.715 4.820 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.946 2.419 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.673 2.592 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 17 7.173 2.957 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.941 0.711 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.178 1.676 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.667 0.405 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.509 1.054 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.219 0.761 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.431 2.271 -0.993 1.00 0.00 H new ATOM 306 N GLU A 18 11.267 5.381 -4.083 1.00 0.00 N ATOM 307 CA GLU A 18 12.629 5.899 -4.111 1.00 0.00 C ATOM 308 C GLU A 18 12.715 7.243 -3.393 1.00 0.00 C ATOM 309 O GLU A 18 13.667 7.507 -2.658 1.00 0.00 O ATOM 310 CB GLU A 18 13.113 6.049 -5.555 1.00 0.00 C ATOM 311 CG GLU A 18 13.474 4.729 -6.216 1.00 0.00 C ATOM 312 CD GLU A 18 14.968 4.471 -6.224 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.661 5.019 -7.106 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.444 3.719 -5.347 1.00 0.00 O ATOM 0 H GLU A 18 10.775 5.441 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 18 13.271 5.187 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.335 6.538 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.984 6.704 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.971 3.915 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.103 4.727 -7.241 1.00 0.00 H new ATOM 321 N ILE A 19 11.713 8.088 -3.611 1.00 0.00 N ATOM 322 CA ILE A 19 11.674 9.404 -2.984 1.00 0.00 C ATOM 323 C ILE A 19 12.059 9.323 -1.511 1.00 0.00 C ATOM 324 O ILE A 19 12.747 10.201 -0.988 1.00 0.00 O ATOM 325 CB ILE A 19 10.279 10.044 -3.105 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.811 10.029 -4.562 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.300 11.466 -2.564 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.607 9.145 -4.800 1.00 0.00 C ATOM 0 H ILE A 19 10.918 7.885 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 19 12.397 10.026 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 19 9.575 9.461 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.571 11.047 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.631 9.691 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.307 11.905 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.594 11.452 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.014 12.061 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.331 9.183 -5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.849 8.118 -4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.772 9.496 -4.193 1.00 0.00 H new ATOM 340 N LEU A 20 11.611 8.264 -0.846 1.00 0.00 N ATOM 341 CA LEU A 20 11.910 8.066 0.568 1.00 0.00 C ATOM 342 C LEU A 20 13.143 7.187 0.747 1.00 0.00 C ATOM 343 O LEU A 20 14.153 7.623 1.299 1.00 0.00 O ATOM 344 CB LEU A 20 10.712 7.433 1.279 1.00 0.00 C ATOM 345 CG LEU A 20 9.351 7.637 0.611 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.155 9.097 0.234 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.219 6.745 -0.615 1.00 0.00 C ATOM 0 H LEU A 20 11.039 7.529 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 20 12.115 9.041 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.893 6.362 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.662 7.835 2.291 1.00 0.00 H new ATOM 0 HG LEU A 20 8.573 7.359 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.182 9.223 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.204 9.714 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.938 9.402 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.245 6.904 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.004 6.991 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.314 5.701 -0.317 1.00 0.00 H new ATOM 359 N GLU A 21 13.054 5.947 0.274 1.00 0.00 N ATOM 360 CA GLU A 21 14.164 5.008 0.381 1.00 0.00 C ATOM 361 C GLU A 21 15.486 5.685 0.029 1.00 0.00 C ATOM 362 O GLU A 21 16.545 5.305 0.530 1.00 0.00 O ATOM 363 CB GLU A 21 13.934 3.806 -0.538 1.00 0.00 C ATOM 364 CG GLU A 21 14.358 2.482 0.076 1.00 0.00 C ATOM 365 CD GLU A 21 15.820 2.466 0.478 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.684 2.528 -0.421 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.099 2.392 1.693 1.00 0.00 O ATOM 0 H GLU A 21 12.225 5.570 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 21 14.216 4.663 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.877 3.755 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.483 3.959 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.742 2.278 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.173 1.679 -0.638 1.00 0.00 H new ATOM 374 N THR A 22 15.416 6.691 -0.838 1.00 0.00 N ATOM 375 CA THR A 22 16.605 7.421 -1.259 1.00 0.00 C ATOM 376 C THR A 22 16.852 8.632 -0.367 1.00 0.00 C ATOM 377 O THR A 22 17.944 8.804 0.176 1.00 0.00 O ATOM 378 CB THR A 22 16.488 7.890 -2.721 1.00 0.00 C ATOM 379 OG1 THR A 22 16.156 6.782 -3.566 1.00 0.00 O ATOM 380 CG2 THR A 22 17.789 8.522 -3.193 1.00 0.00 C ATOM 0 H THR A 22 14.548 7.018 -1.262 1.00 0.00 H new ATOM 0 HA THR A 22 17.445 6.732 -1.172 1.00 0.00 H new ATOM 0 HB THR A 22 15.698 8.639 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.193 6.608 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.682 8.845 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.024 9.383 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.595 7.791 -3.123 1.00 0.00 H new ATOM 388 N LEU A 23 15.831 9.469 -0.218 1.00 0.00 N ATOM 389 CA LEU A 23 15.937 10.665 0.610 1.00 0.00 C ATOM 390 C LEU A 23 15.956 10.302 2.091 1.00 0.00 C ATOM 391 O LEU A 23 16.950 10.522 2.783 1.00 0.00 O ATOM 392 CB LEU A 23 14.773 11.614 0.321 1.00 0.00 C ATOM 393 CG LEU A 23 14.905 13.030 0.883 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.935 13.973 0.189 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.669 13.031 2.386 1.00 0.00 C ATOM 0 H LEU A 23 14.921 9.341 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 23 16.874 11.164 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.647 11.684 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.861 11.170 0.720 1.00 0.00 H new ATOM 0 HG LEU A 23 15.919 13.382 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.044 14.976 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.151 13.996 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.914 13.625 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.767 14.047 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.667 12.659 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.404 12.388 2.870 1.00 0.00 H new ATOM 407 N PHE A 24 14.850 9.743 2.572 1.00 0.00 N ATOM 408 CA PHE A 24 14.740 9.348 3.972 1.00 0.00 C ATOM 409 C PHE A 24 16.001 8.625 4.434 1.00 0.00 C ATOM 410 O PHE A 24 16.426 8.766 5.580 1.00 0.00 O ATOM 411 CB PHE A 24 13.519 8.448 4.175 1.00 0.00 C ATOM 412 CG PHE A 24 13.417 7.879 5.561 1.00 0.00 C ATOM 413 CD1 PHE A 24 14.040 6.683 5.881 1.00 0.00 C ATOM 414 CD2 PHE A 24 12.700 8.541 6.545 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.947 6.158 7.156 1.00 0.00 C ATOM 416 CE2 PHE A 24 12.604 8.020 7.821 1.00 0.00 C ATOM 417 CZ PHE A 24 13.230 6.827 8.128 1.00 0.00 C ATOM 0 H PHE A 24 14.018 9.553 2.013 1.00 0.00 H new ATOM 0 HA PHE A 24 14.621 10.251 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.616 9.019 3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.558 7.629 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 24 14.604 6.156 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 24 12.211 9.475 6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.435 5.224 7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.040 8.545 8.578 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.159 6.419 9.125 1.00 0.00 H new ATOM 427 N ASN A 25 16.596 7.849 3.533 1.00 0.00 N ATOM 428 CA ASN A 25 17.808 7.103 3.847 1.00 0.00 C ATOM 429 C ASN A 25 19.043 7.990 3.717 1.00 0.00 C ATOM 430 O ASN A 25 19.961 7.915 4.532 1.00 0.00 O ATOM 431 CB ASN A 25 17.939 5.889 2.925 1.00 0.00 C ATOM 432 CG ASN A 25 19.001 4.916 3.397 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.098 4.858 2.840 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.680 4.144 4.429 1.00 0.00 N ATOM 0 H ASN A 25 16.258 7.721 2.579 1.00 0.00 H new ATOM 0 HA ASN A 25 17.736 6.761 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.979 5.375 2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.181 6.226 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.354 3.469 4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.759 4.226 4.860 1.00 0.00 H new ATOM 441 N GLU A 26 19.056 8.828 2.685 1.00 0.00 N ATOM 442 CA GLU A 26 20.178 9.729 2.448 1.00 0.00 C ATOM 443 C GLU A 26 20.486 10.553 3.695 1.00 0.00 C ATOM 444 O GLU A 26 21.641 10.668 4.108 1.00 0.00 O ATOM 445 CB GLU A 26 19.874 10.658 1.271 1.00 0.00 C ATOM 446 CG GLU A 26 20.892 11.773 1.098 1.00 0.00 C ATOM 447 CD GLU A 26 21.217 12.046 -0.358 1.00 0.00 C ATOM 448 OE1 GLU A 26 21.921 11.219 -0.974 1.00 0.00 O ATOM 449 OE2 GLU A 26 20.765 13.086 -0.881 1.00 0.00 O ATOM 0 H GLU A 26 18.303 8.902 2.001 1.00 0.00 H new ATOM 0 HA GLU A 26 21.053 9.125 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.834 10.069 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.886 11.097 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.509 12.684 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.808 11.509 1.627 1.00 0.00 H new ATOM 456 N THR A 27 19.445 11.127 4.290 1.00 0.00 N ATOM 457 CA THR A 27 19.603 11.942 5.488 1.00 0.00 C ATOM 458 C THR A 27 18.251 12.387 6.033 1.00 0.00 C ATOM 459 O THR A 27 17.209 12.084 5.453 1.00 0.00 O ATOM 460 CB THR A 27 20.467 13.187 5.210 1.00 0.00 C ATOM 461 OG1 THR A 27 20.569 13.407 3.799 1.00 0.00 O ATOM 462 CG2 THR A 27 21.857 13.026 5.806 1.00 0.00 C ATOM 0 H THR A 27 18.483 11.042 3.961 1.00 0.00 H new ATOM 0 HA THR A 27 20.103 11.320 6.230 1.00 0.00 H new ATOM 0 HB THR A 27 19.987 14.047 5.677 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.118 14.201 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.448 13.918 5.597 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.777 12.889 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.344 12.156 5.365 1.00 0.00 H new ATOM 470 N GLN A 28 18.276 13.107 7.150 1.00 0.00 N ATOM 471 CA GLN A 28 17.051 13.593 7.773 1.00 0.00 C ATOM 472 C GLN A 28 16.905 15.100 7.585 1.00 0.00 C ATOM 473 O GLN A 28 16.494 15.812 8.501 1.00 0.00 O ATOM 474 CB GLN A 28 17.040 13.249 9.263 1.00 0.00 C ATOM 475 CG GLN A 28 16.743 11.786 9.548 1.00 0.00 C ATOM 476 CD GLN A 28 16.451 11.524 11.013 1.00 0.00 C ATOM 477 OE1 GLN A 28 15.489 10.835 11.352 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.283 12.074 11.890 1.00 0.00 N ATOM 0 H GLN A 28 19.131 13.366 7.642 1.00 0.00 H new ATOM 0 HA GLN A 28 16.207 13.102 7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 28 18.008 13.505 9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.295 13.867 9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.889 11.469 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.593 11.179 9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.068 12.638 11.564 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.137 11.932 12.890 1.00 0.00 H new ATOM 487 N TYR A 29 17.245 15.578 6.393 1.00 0.00 N ATOM 488 CA TYR A 29 17.155 17.000 6.086 1.00 0.00 C ATOM 489 C TYR A 29 16.060 17.267 5.058 1.00 0.00 C ATOM 490 O TYR A 29 16.320 17.460 3.871 1.00 0.00 O ATOM 491 CB TYR A 29 18.497 17.516 5.564 1.00 0.00 C ATOM 492 CG TYR A 29 19.646 17.294 6.521 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.582 17.752 7.832 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.795 16.627 6.116 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.629 17.552 8.710 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.847 16.421 6.988 1.00 0.00 C ATOM 497 CZ TYR A 29 21.759 16.885 8.284 1.00 0.00 C ATOM 498 OH TYR A 29 22.805 16.683 9.155 1.00 0.00 O ATOM 0 H TYR A 29 17.585 15.001 5.624 1.00 0.00 H new ATOM 0 HA TYR A 29 16.902 17.529 7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.723 17.023 4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.410 18.582 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.698 18.273 8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.868 16.263 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.564 17.916 9.725 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.733 15.900 6.657 1.00 0.00 H new ATOM 0 HH TYR A 29 23.522 16.197 8.697 1.00 0.00 H new ATOM 508 N PRO A 30 14.802 17.281 5.526 1.00 0.00 N ATOM 509 CA PRO A 30 13.641 17.525 4.665 1.00 0.00 C ATOM 510 C PRO A 30 13.577 18.966 4.172 1.00 0.00 C ATOM 511 O PRO A 30 12.799 19.773 4.682 1.00 0.00 O ATOM 512 CB PRO A 30 12.452 17.219 5.579 1.00 0.00 C ATOM 513 CG PRO A 30 12.966 17.449 6.959 1.00 0.00 C ATOM 514 CD PRO A 30 14.418 17.059 6.930 1.00 0.00 C ATOM 0 HA PRO A 30 13.669 16.917 3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.605 17.869 5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.108 16.193 5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.848 18.493 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.416 16.851 7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.012 17.669 7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.561 16.020 7.226 1.00 0.00 H new ATOM 522 N ASP A 31 14.400 19.284 3.179 1.00 0.00 N ATOM 523 CA ASP A 31 14.435 20.628 2.615 1.00 0.00 C ATOM 524 C ASP A 31 14.277 20.587 1.099 1.00 0.00 C ATOM 525 O ASP A 31 14.256 19.514 0.495 1.00 0.00 O ATOM 526 CB ASP A 31 15.746 21.324 2.985 1.00 0.00 C ATOM 527 CG ASP A 31 15.833 21.648 4.464 1.00 0.00 C ATOM 528 OD1 ASP A 31 15.174 22.615 4.899 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.560 20.933 5.186 1.00 0.00 O ATOM 0 H ASP A 31 15.052 18.629 2.748 1.00 0.00 H new ATOM 0 HA ASP A 31 13.601 21.192 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.584 20.685 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.841 22.244 2.408 1.00 0.00 H new ATOM 534 N VAL A 32 14.166 21.762 0.488 1.00 0.00 N ATOM 535 CA VAL A 32 14.009 21.860 -0.958 1.00 0.00 C ATOM 536 C VAL A 32 15.106 21.088 -1.683 1.00 0.00 C ATOM 537 O VAL A 32 14.856 20.439 -2.699 1.00 0.00 O ATOM 538 CB VAL A 32 14.033 23.327 -1.427 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.672 23.975 -1.225 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.116 24.103 -0.693 1.00 0.00 C ATOM 0 H VAL A 32 14.182 22.660 0.972 1.00 0.00 H new ATOM 0 HA VAL A 32 13.040 21.424 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 32 14.263 23.346 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.709 25.011 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.922 23.433 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.409 23.947 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.119 25.137 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.919 24.077 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.087 23.651 -0.894 1.00 0.00 H new ATOM 550 N PHE A 33 16.323 21.164 -1.155 1.00 0.00 N ATOM 551 CA PHE A 33 17.460 20.472 -1.751 1.00 0.00 C ATOM 552 C PHE A 33 17.200 18.971 -1.836 1.00 0.00 C ATOM 553 O PHE A 33 17.801 18.272 -2.651 1.00 0.00 O ATOM 554 CB PHE A 33 18.729 20.737 -0.938 1.00 0.00 C ATOM 555 CG PHE A 33 19.655 21.731 -1.578 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.333 23.079 -1.607 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.847 21.319 -2.151 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.183 23.996 -2.196 1.00 0.00 C ATOM 559 CE2 PHE A 33 21.701 22.232 -2.741 1.00 0.00 C ATOM 560 CZ PHE A 33 21.369 23.572 -2.763 1.00 0.00 C ATOM 0 H PHE A 33 16.547 21.698 -0.315 1.00 0.00 H new ATOM 0 HA PHE A 33 17.598 20.856 -2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.448 21.099 0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.262 19.797 -0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.407 23.416 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.112 20.272 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.920 25.043 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.627 21.897 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.035 24.287 -3.223 1.00 0.00 H new ATOM 570 N ALA A 34 16.301 18.484 -0.988 1.00 0.00 N ATOM 571 CA ALA A 34 15.960 17.067 -0.967 1.00 0.00 C ATOM 572 C ALA A 34 14.856 16.753 -1.971 1.00 0.00 C ATOM 573 O ALA A 34 15.069 16.010 -2.930 1.00 0.00 O ATOM 574 CB ALA A 34 15.538 16.646 0.433 1.00 0.00 C ATOM 0 H ALA A 34 15.795 19.050 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 34 16.847 16.501 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.286 15.585 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.357 16.825 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.668 17.226 0.740 1.00 0.00 H new ATOM 580 N ARG A 35 13.677 17.322 -1.745 1.00 0.00 N ATOM 581 CA ARG A 35 12.539 17.101 -2.629 1.00 0.00 C ATOM 582 C ARG A 35 12.895 17.454 -4.071 1.00 0.00 C ATOM 583 O ARG A 35 12.602 16.696 -4.995 1.00 0.00 O ATOM 584 CB ARG A 35 11.340 17.933 -2.170 1.00 0.00 C ATOM 585 CG ARG A 35 11.656 19.408 -1.988 1.00 0.00 C ATOM 586 CD ARG A 35 10.480 20.159 -1.383 1.00 0.00 C ATOM 587 NE ARG A 35 10.861 20.894 -0.179 1.00 0.00 N ATOM 588 CZ ARG A 35 10.957 20.336 1.022 1.00 0.00 C ATOM 589 NH1 ARG A 35 10.701 19.045 1.180 1.00 0.00 N ATOM 590 NH2 ARG A 35 11.310 21.071 2.070 1.00 0.00 N ATOM 0 H ARG A 35 13.485 17.940 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 35 12.277 16.044 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.536 17.830 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.969 17.531 -1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.529 19.518 -1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.913 19.848 -2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.076 20.854 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.685 19.454 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 35 11.064 21.890 -0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.429 18.477 0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.776 18.620 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.508 22.065 1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.384 20.642 2.992 1.00 0.00 H new ATOM 604 N GLU A 36 13.526 18.609 -4.253 1.00 0.00 N ATOM 605 CA GLU A 36 13.920 19.062 -5.582 1.00 0.00 C ATOM 606 C GLU A 36 14.883 18.072 -6.232 1.00 0.00 C ATOM 607 O GLU A 36 14.994 18.010 -7.456 1.00 0.00 O ATOM 608 CB GLU A 36 14.571 20.445 -5.502 1.00 0.00 C ATOM 609 CG GLU A 36 14.966 21.011 -6.856 1.00 0.00 C ATOM 610 CD GLU A 36 15.404 22.460 -6.777 1.00 0.00 C ATOM 611 OE1 GLU A 36 15.753 22.914 -5.667 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.399 23.140 -7.824 1.00 0.00 O ATOM 0 H GLU A 36 13.775 19.248 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 36 13.022 19.126 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.881 21.135 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.457 20.384 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.776 20.413 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.122 20.927 -7.541 1.00 0.00 H new ATOM 619 N ARG A 37 15.577 17.300 -5.402 1.00 0.00 N ATOM 620 CA ARG A 37 16.531 16.314 -5.894 1.00 0.00 C ATOM 621 C ARG A 37 15.814 15.052 -6.368 1.00 0.00 C ATOM 622 O ARG A 37 15.864 14.703 -7.547 1.00 0.00 O ATOM 623 CB ARG A 37 17.540 15.959 -4.801 1.00 0.00 C ATOM 624 CG ARG A 37 18.648 15.032 -5.272 1.00 0.00 C ATOM 625 CD ARG A 37 19.098 14.093 -4.163 1.00 0.00 C ATOM 626 NE ARG A 37 20.328 13.387 -4.510 1.00 0.00 N ATOM 627 CZ ARG A 37 21.518 13.974 -4.581 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.637 15.270 -4.330 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.592 13.263 -4.902 1.00 0.00 N ATOM 0 H ARG A 37 15.496 17.339 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 37 17.061 16.750 -6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.985 16.877 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.013 15.489 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.299 14.449 -6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.497 15.623 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.253 14.662 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.309 13.369 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 37 20.271 12.388 -4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.814 15.819 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.552 15.718 -4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.504 12.265 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.505 13.715 -4.956 1.00 0.00 H new ATOM 643 N VAL A 38 15.149 14.372 -5.440 1.00 0.00 N ATOM 644 CA VAL A 38 14.421 13.150 -5.761 1.00 0.00 C ATOM 645 C VAL A 38 13.440 13.380 -6.905 1.00 0.00 C ATOM 646 O VAL A 38 13.074 12.447 -7.619 1.00 0.00 O ATOM 647 CB VAL A 38 13.652 12.617 -4.539 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.597 11.913 -3.578 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.912 13.748 -3.840 1.00 0.00 C ATOM 0 H VAL A 38 15.099 14.647 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 38 15.162 12.410 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 38 12.916 11.891 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.035 11.543 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.076 11.076 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.359 12.614 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.374 13.353 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.627 14.500 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.204 14.202 -4.533 1.00 0.00 H new ATOM 659 N ALA A 39 13.018 14.629 -7.074 1.00 0.00 N ATOM 660 CA ALA A 39 12.081 14.983 -8.133 1.00 0.00 C ATOM 661 C ALA A 39 12.615 14.566 -9.500 1.00 0.00 C ATOM 662 O ALA A 39 11.845 14.262 -10.411 1.00 0.00 O ATOM 663 CB ALA A 39 11.796 16.477 -8.109 1.00 0.00 C ATOM 0 H ALA A 39 13.311 15.413 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 39 11.150 14.444 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.095 16.726 -8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.364 16.750 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.725 17.027 -8.258 1.00 0.00 H new ATOM 669 N ASP A 40 13.936 14.554 -9.635 1.00 0.00 N ATOM 670 CA ASP A 40 14.573 14.175 -10.891 1.00 0.00 C ATOM 671 C ASP A 40 14.730 12.660 -10.984 1.00 0.00 C ATOM 672 O ASP A 40 14.964 12.117 -12.064 1.00 0.00 O ATOM 673 CB ASP A 40 15.939 14.851 -11.020 1.00 0.00 C ATOM 674 CG ASP A 40 16.417 14.919 -12.457 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.857 15.722 -13.232 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.353 14.170 -12.806 1.00 0.00 O ATOM 0 H ASP A 40 14.587 14.802 -8.890 1.00 0.00 H new ATOM 0 HA ASP A 40 13.934 14.508 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.882 15.860 -10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.669 14.305 -10.423 1.00 0.00 H new ATOM 681 N GLN A 41 14.601 11.986 -9.847 1.00 0.00 N ATOM 682 CA GLN A 41 14.730 10.534 -9.801 1.00 0.00 C ATOM 683 C GLN A 41 13.462 9.858 -10.309 1.00 0.00 C ATOM 684 O GLN A 41 13.514 9.002 -11.193 1.00 0.00 O ATOM 685 CB GLN A 41 15.032 10.073 -8.374 1.00 0.00 C ATOM 686 CG GLN A 41 16.419 10.461 -7.889 1.00 0.00 C ATOM 687 CD GLN A 41 17.517 9.658 -8.557 1.00 0.00 C ATOM 688 OE1 GLN A 41 18.097 10.087 -9.555 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.809 8.484 -8.009 1.00 0.00 N ATOM 0 H GLN A 41 14.407 12.421 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 41 15.557 10.247 -10.451 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.289 10.497 -7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.928 8.989 -8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.583 11.522 -8.080 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.475 10.319 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.303 8.167 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.539 7.899 -8.415 1.00 0.00 H new ATOM 698 N ILE A 42 12.323 10.246 -9.745 1.00 0.00 N ATOM 699 CA ILE A 42 11.041 9.677 -10.142 1.00 0.00 C ATOM 700 C ILE A 42 10.414 10.477 -11.279 1.00 0.00 C ATOM 701 O ILE A 42 9.391 10.081 -11.839 1.00 0.00 O ATOM 702 CB ILE A 42 10.056 9.628 -8.959 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.450 11.012 -8.714 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.757 9.122 -7.707 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.357 11.016 -7.668 1.00 0.00 C ATOM 0 H ILE A 42 12.262 10.952 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 42 11.238 8.660 -10.482 1.00 0.00 H new ATOM 0 HB ILE A 42 9.250 8.937 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.240 11.696 -8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.046 11.394 -9.652 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.048 9.093 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.145 8.120 -7.887 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.581 9.790 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.974 12.029 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.548 10.357 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.761 10.664 -6.719 1.00 0.00 H new ATOM 717 N ARG A 43 11.034 11.603 -11.615 1.00 0.00 N ATOM 718 CA ARG A 43 10.536 12.458 -12.686 1.00 0.00 C ATOM 719 C ARG A 43 9.231 13.136 -12.279 1.00 0.00 C ATOM 720 O ARG A 43 8.208 12.991 -12.949 1.00 0.00 O ATOM 721 CB ARG A 43 10.323 11.642 -13.962 1.00 0.00 C ATOM 722 CG ARG A 43 10.576 12.429 -15.238 1.00 0.00 C ATOM 723 CD ARG A 43 9.734 13.694 -15.288 1.00 0.00 C ATOM 724 NE ARG A 43 9.976 14.465 -16.505 1.00 0.00 N ATOM 725 CZ ARG A 43 11.039 15.241 -16.684 1.00 0.00 C ATOM 726 NH1 ARG A 43 11.953 15.348 -15.730 1.00 0.00 N ATOM 727 NH2 ARG A 43 11.189 15.911 -17.820 1.00 0.00 N ATOM 0 H ARG A 43 11.881 11.945 -11.162 1.00 0.00 H new ATOM 0 HA ARG A 43 11.282 13.230 -12.877 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.983 10.775 -13.943 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.301 11.264 -13.975 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.632 12.691 -15.302 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.349 11.805 -16.103 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.678 13.429 -15.231 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.956 14.312 -14.418 1.00 0.00 H new ATOM 0 HE ARG A 43 9.291 14.404 -17.258 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.841 14.834 -14.856 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.769 15.944 -15.870 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.488 15.830 -18.556 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.006 16.507 -17.957 1.00 0.00 H new ATOM 741 N LEU A 44 9.274 13.875 -11.176 1.00 0.00 N ATOM 742 CA LEU A 44 8.095 14.575 -10.678 1.00 0.00 C ATOM 743 C LEU A 44 8.459 15.971 -10.183 1.00 0.00 C ATOM 744 O LEU A 44 9.633 16.283 -9.986 1.00 0.00 O ATOM 745 CB LEU A 44 7.442 13.776 -9.549 1.00 0.00 C ATOM 746 CG LEU A 44 6.049 14.237 -9.119 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.105 14.267 -10.310 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.502 13.332 -8.024 1.00 0.00 C ATOM 0 H LEU A 44 10.112 14.005 -10.610 1.00 0.00 H new ATOM 0 HA LEU A 44 7.387 14.674 -11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.378 12.733 -9.859 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.099 13.810 -8.680 1.00 0.00 H new ATOM 0 HG LEU A 44 6.129 15.248 -8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.119 14.597 -9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.489 14.957 -11.061 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.029 13.268 -10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.510 13.675 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.437 12.309 -8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.167 13.363 -7.161 1.00 0.00 H new ATOM 760 N GLN A 45 7.444 16.806 -9.983 1.00 0.00 N ATOM 761 CA GLN A 45 7.659 18.168 -9.510 1.00 0.00 C ATOM 762 C GLN A 45 8.459 18.174 -8.212 1.00 0.00 C ATOM 763 O GLN A 45 8.460 17.194 -7.468 1.00 0.00 O ATOM 764 CB GLN A 45 6.318 18.874 -9.299 1.00 0.00 C ATOM 765 CG GLN A 45 6.026 19.947 -10.336 1.00 0.00 C ATOM 766 CD GLN A 45 4.564 20.348 -10.365 1.00 0.00 C ATOM 767 OE1 GLN A 45 4.108 21.137 -9.537 1.00 0.00 O ATOM 768 NE2 GLN A 45 3.820 19.805 -11.321 1.00 0.00 N ATOM 0 H GLN A 45 6.466 16.563 -10.141 1.00 0.00 H new ATOM 0 HA GLN A 45 8.229 18.704 -10.269 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.519 18.133 -9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.307 19.326 -8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.636 20.826 -10.126 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.319 19.584 -11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.239 19.156 -11.987 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.829 20.037 -11.390 1.00 0.00 H new ATOM 777 N GLU A 46 9.139 19.285 -7.947 1.00 0.00 N ATOM 778 CA GLU A 46 9.945 19.417 -6.739 1.00 0.00 C ATOM 779 C GLU A 46 9.058 19.590 -5.509 1.00 0.00 C ATOM 780 O GLU A 46 9.302 18.986 -4.465 1.00 0.00 O ATOM 781 CB GLU A 46 10.900 20.606 -6.863 1.00 0.00 C ATOM 782 CG GLU A 46 10.196 21.928 -7.119 1.00 0.00 C ATOM 783 CD GLU A 46 11.053 22.903 -7.902 1.00 0.00 C ATOM 784 OE1 GLU A 46 12.233 23.085 -7.534 1.00 0.00 O ATOM 785 OE2 GLU A 46 10.545 23.485 -8.884 1.00 0.00 O ATOM 0 H GLU A 46 9.148 20.106 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 46 10.527 18.503 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.486 20.687 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.602 20.414 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.271 21.743 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.919 22.378 -6.166 1.00 0.00 H new ATOM 792 N SER A 47 8.028 20.420 -5.642 1.00 0.00 N ATOM 793 CA SER A 47 7.106 20.676 -4.541 1.00 0.00 C ATOM 794 C SER A 47 6.051 19.578 -4.449 1.00 0.00 C ATOM 795 O SER A 47 5.486 19.333 -3.383 1.00 0.00 O ATOM 796 CB SER A 47 6.429 22.036 -4.722 1.00 0.00 C ATOM 797 OG SER A 47 5.681 22.390 -3.572 1.00 0.00 O ATOM 0 H SER A 47 7.811 20.926 -6.500 1.00 0.00 H new ATOM 0 HA SER A 47 7.679 20.683 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.183 22.798 -4.918 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.773 22.006 -5.592 1.00 0.00 H new ATOM 0 HG SER A 47 5.259 23.264 -3.712 1.00 0.00 H new ATOM 803 N ARG A 48 5.792 18.919 -5.574 1.00 0.00 N ATOM 804 CA ARG A 48 4.805 17.848 -5.621 1.00 0.00 C ATOM 805 C ARG A 48 5.335 16.589 -4.942 1.00 0.00 C ATOM 806 O ARG A 48 4.635 15.957 -4.150 1.00 0.00 O ATOM 807 CB ARG A 48 4.427 17.537 -7.071 1.00 0.00 C ATOM 808 CG ARG A 48 3.341 16.482 -7.204 1.00 0.00 C ATOM 809 CD ARG A 48 2.037 16.941 -6.572 1.00 0.00 C ATOM 810 NE ARG A 48 1.553 18.188 -7.158 1.00 0.00 N ATOM 811 CZ ARG A 48 0.412 18.771 -6.808 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.358 18.222 -5.879 1.00 0.00 N ATOM 813 NH2 ARG A 48 0.039 19.905 -7.388 1.00 0.00 N ATOM 0 H ARG A 48 6.252 19.108 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 48 3.917 18.183 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.092 18.454 -7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.316 17.201 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.177 16.259 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.671 15.557 -6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.281 16.165 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.182 17.077 -5.500 1.00 0.00 H new ATOM 0 HE ARG A 48 2.123 18.636 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.075 17.350 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.234 18.671 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.629 20.330 -8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.837 20.352 -7.118 1.00 0.00 H new ATOM 827 N ILE A 49 6.575 16.231 -5.257 1.00 0.00 N ATOM 828 CA ILE A 49 7.199 15.048 -4.677 1.00 0.00 C ATOM 829 C ILE A 49 7.151 15.093 -3.153 1.00 0.00 C ATOM 830 O ILE A 49 7.235 14.060 -2.490 1.00 0.00 O ATOM 831 CB ILE A 49 8.665 14.906 -5.129 1.00 0.00 C ATOM 832 CG1 ILE A 49 9.019 13.430 -5.326 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.597 15.548 -4.113 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.417 13.211 -5.861 1.00 0.00 C ATOM 0 H ILE A 49 7.168 16.743 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 49 6.633 14.186 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 49 8.788 15.421 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.917 12.910 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.301 12.981 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.629 15.439 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.356 16.607 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.475 15.059 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.599 12.143 -5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.517 13.702 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.143 13.630 -5.164 1.00 0.00 H new ATOM 846 N GLN A 50 7.014 16.296 -2.606 1.00 0.00 N ATOM 847 CA GLN A 50 6.954 16.475 -1.160 1.00 0.00 C ATOM 848 C GLN A 50 5.799 15.679 -0.561 1.00 0.00 C ATOM 849 O GLN A 50 5.947 15.038 0.480 1.00 0.00 O ATOM 850 CB GLN A 50 6.801 17.957 -0.814 1.00 0.00 C ATOM 851 CG GLN A 50 7.765 18.434 0.260 1.00 0.00 C ATOM 852 CD GLN A 50 7.140 18.444 1.642 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.542 17.682 2.522 1.00 0.00 O ATOM 854 NE2 GLN A 50 6.153 19.309 1.839 1.00 0.00 N ATOM 0 H GLN A 50 6.942 17.161 -3.142 1.00 0.00 H new ATOM 0 HA GLN A 50 7.886 16.104 -0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.953 18.550 -1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.779 18.140 -0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.643 17.789 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.109 19.438 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.853 19.921 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.695 19.361 2.749 1.00 0.00 H new ATOM 863 N VAL A 51 4.648 15.725 -1.225 1.00 0.00 N ATOM 864 CA VAL A 51 3.468 15.007 -0.758 1.00 0.00 C ATOM 865 C VAL A 51 3.685 13.499 -0.809 1.00 0.00 C ATOM 866 O VAL A 51 3.132 12.754 0.000 1.00 0.00 O ATOM 867 CB VAL A 51 2.226 15.364 -1.597 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.135 16.868 -1.803 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.258 14.636 -2.932 1.00 0.00 C ATOM 0 H VAL A 51 4.508 16.252 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 51 3.301 15.312 0.275 1.00 0.00 H new ATOM 0 HB VAL A 51 1.337 15.041 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.252 17.101 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.062 17.364 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.026 17.218 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.373 14.900 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.153 14.926 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.271 13.560 -2.759 1.00 0.00 H new ATOM 879 N TRP A 52 4.494 13.056 -1.765 1.00 0.00 N ATOM 880 CA TRP A 52 4.786 11.635 -1.921 1.00 0.00 C ATOM 881 C TRP A 52 5.915 11.206 -0.991 1.00 0.00 C ATOM 882 O TRP A 52 6.075 10.021 -0.698 1.00 0.00 O ATOM 883 CB TRP A 52 5.158 11.327 -3.372 1.00 0.00 C ATOM 884 CG TRP A 52 4.039 11.576 -4.338 1.00 0.00 C ATOM 885 CD1 TRP A 52 4.006 12.515 -5.329 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.791 10.877 -4.403 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.813 12.442 -6.006 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.051 11.445 -5.458 1.00 0.00 C ATOM 889 CE3 TRP A 52 2.229 9.826 -3.674 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.777 10.996 -5.799 1.00 0.00 C ATOM 891 CZ3 TRP A 52 0.965 9.382 -4.013 1.00 0.00 C ATOM 892 CH2 TRP A 52 0.251 9.966 -5.068 1.00 0.00 C ATOM 0 H TRP A 52 4.959 13.659 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 52 3.890 11.074 -1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 52 6.016 11.936 -3.657 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.468 10.285 -3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.801 13.212 -5.548 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.539 13.034 -6.790 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.772 9.369 -2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.224 11.445 -6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.520 8.571 -3.455 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.734 9.596 -5.309 1.00 0.00 H new ATOM 903 N PHE A 53 6.698 12.176 -0.530 1.00 0.00 N ATOM 904 CA PHE A 53 7.813 11.898 0.367 1.00 0.00 C ATOM 905 C PHE A 53 7.330 11.205 1.637 1.00 0.00 C ATOM 906 O PHE A 53 8.113 10.581 2.354 1.00 0.00 O ATOM 907 CB PHE A 53 8.543 13.194 0.725 1.00 0.00 C ATOM 908 CG PHE A 53 9.634 13.007 1.741 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.631 12.067 1.540 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.661 13.772 2.896 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.635 11.892 2.474 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.663 13.602 3.833 1.00 0.00 C ATOM 913 CZ PHE A 53 11.652 12.661 3.621 1.00 0.00 C ATOM 0 H PHE A 53 6.580 13.162 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 53 8.504 11.231 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.971 13.623 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.820 13.915 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.624 11.464 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.890 14.509 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.406 11.154 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.673 14.204 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.437 12.527 4.351 1.00 0.00 H new ATOM 923 N LYS A 54 6.035 11.320 1.911 1.00 0.00 N ATOM 924 CA LYS A 54 5.445 10.705 3.094 1.00 0.00 C ATOM 925 C LYS A 54 5.014 9.271 2.804 1.00 0.00 C ATOM 926 O LYS A 54 4.782 8.485 3.722 1.00 0.00 O ATOM 927 CB LYS A 54 4.243 11.522 3.573 1.00 0.00 C ATOM 928 CG LYS A 54 3.709 11.083 4.925 1.00 0.00 C ATOM 929 CD LYS A 54 2.547 11.953 5.375 1.00 0.00 C ATOM 930 CE LYS A 54 2.030 11.529 6.741 1.00 0.00 C ATOM 931 NZ LYS A 54 1.133 10.344 6.652 1.00 0.00 N ATOM 0 H LYS A 54 5.373 11.834 1.329 1.00 0.00 H new ATOM 0 HA LYS A 54 6.201 10.687 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.527 12.573 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.445 11.446 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.386 10.043 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.508 11.130 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.864 12.995 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.741 11.891 4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.873 11.298 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.491 12.359 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.802 10.087 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.315 10.572 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.654 9.544 6.239 1.00 0.00 H new ATOM 945 N ASN A 55 4.911 8.936 1.522 1.00 0.00 N ATOM 946 CA ASN A 55 4.510 7.595 1.111 1.00 0.00 C ATOM 947 C ASN A 55 5.157 6.538 2.000 1.00 0.00 C ATOM 948 O ASN A 55 4.488 5.903 2.816 1.00 0.00 O ATOM 949 CB ASN A 55 4.890 7.351 -0.350 1.00 0.00 C ATOM 950 CG ASN A 55 4.846 5.882 -0.722 1.00 0.00 C ATOM 951 OD1 ASN A 55 4.072 5.110 -0.155 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.678 5.488 -1.679 1.00 0.00 N ATOM 0 H ASN A 55 5.100 9.575 0.750 1.00 0.00 H new ATOM 0 HA ASN A 55 3.428 7.519 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.211 7.907 -0.997 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.892 7.739 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.693 4.511 -1.972 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.302 6.162 -2.122 1.00 0.00 H new ATOM 959 N ARG A 56 6.463 6.354 1.837 1.00 0.00 N ATOM 960 CA ARG A 56 7.201 5.373 2.624 1.00 0.00 C ATOM 961 C ARG A 56 7.638 5.966 3.960 1.00 0.00 C ATOM 962 O ARG A 56 7.603 5.292 4.990 1.00 0.00 O ATOM 963 CB ARG A 56 8.425 4.881 1.848 1.00 0.00 C ATOM 964 CG ARG A 56 8.843 3.465 2.205 1.00 0.00 C ATOM 965 CD ARG A 56 10.267 3.422 2.737 1.00 0.00 C ATOM 966 NE ARG A 56 10.383 4.068 4.042 1.00 0.00 N ATOM 967 CZ ARG A 56 11.403 3.873 4.870 1.00 0.00 C ATOM 968 NH1 ARG A 56 12.391 3.057 4.530 1.00 0.00 N ATOM 969 NH2 ARG A 56 11.438 4.497 6.040 1.00 0.00 N ATOM 0 H ARG A 56 7.032 6.871 1.167 1.00 0.00 H new ATOM 0 HA ARG A 56 6.539 4.529 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.211 4.929 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.260 5.556 2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.161 3.061 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.763 2.828 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.594 2.385 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.934 3.914 2.029 1.00 0.00 H new ATOM 0 HE ARG A 56 9.640 4.703 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.369 2.577 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.173 2.909 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.681 5.127 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.222 4.346 6.675 1.00 0.00 H new ATOM 983 N ARG A 57 8.049 7.229 3.935 1.00 0.00 N ATOM 984 CA ARG A 57 8.494 7.912 5.144 1.00 0.00 C ATOM 985 C ARG A 57 7.500 7.704 6.283 1.00 0.00 C ATOM 986 O ARG A 57 7.877 7.691 7.455 1.00 0.00 O ATOM 987 CB ARG A 57 8.672 9.407 4.875 1.00 0.00 C ATOM 988 CG ARG A 57 8.979 10.218 6.123 1.00 0.00 C ATOM 989 CD ARG A 57 7.790 11.069 6.541 1.00 0.00 C ATOM 990 NE ARG A 57 6.993 10.422 7.581 1.00 0.00 N ATOM 991 CZ ARG A 57 5.910 10.968 8.123 1.00 0.00 C ATOM 992 NH1 ARG A 57 5.497 12.164 7.726 1.00 0.00 N ATOM 993 NH2 ARG A 57 5.238 10.317 9.064 1.00 0.00 N ATOM 0 H ARG A 57 8.083 7.801 3.091 1.00 0.00 H new ATOM 0 HA ARG A 57 9.453 7.486 5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.479 9.544 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.764 9.795 4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.251 9.546 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.840 10.860 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.144 12.034 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.162 11.266 5.672 1.00 0.00 H new ATOM 0 HE ARG A 57 7.284 9.501 7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.011 12.667 7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.665 12.581 8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.553 9.397 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.407 10.737 9.480 1.00 0.00 H new ATOM 1007 N ALA A 58 6.229 7.542 5.930 1.00 0.00 N ATOM 1008 CA ALA A 58 5.182 7.333 6.922 1.00 0.00 C ATOM 1009 C ALA A 58 5.016 5.851 7.242 1.00 0.00 C ATOM 1010 O ALA A 58 4.720 5.479 8.378 1.00 0.00 O ATOM 1011 CB ALA A 58 3.866 7.919 6.432 1.00 0.00 C ATOM 0 H ALA A 58 5.900 7.552 4.965 1.00 0.00 H new ATOM 0 HA ALA A 58 5.477 7.845 7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.093 7.756 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.985 8.989 6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.576 7.433 5.501 1.00 0.00 H new ATOM 1017 N LYS A 59 5.209 5.008 6.233 1.00 0.00 N ATOM 1018 CA LYS A 59 5.082 3.565 6.406 1.00 0.00 C ATOM 1019 C LYS A 59 6.022 3.063 7.497 1.00 0.00 C ATOM 1020 O LYS A 59 5.807 1.996 8.072 1.00 0.00 O ATOM 1021 CB LYS A 59 5.380 2.845 5.089 1.00 0.00 C ATOM 1022 CG LYS A 59 4.141 2.303 4.398 1.00 0.00 C ATOM 1023 CD LYS A 59 3.097 3.389 4.193 1.00 0.00 C ATOM 1024 CE LYS A 59 2.543 3.368 2.777 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.362 2.468 2.656 1.00 0.00 N ATOM 0 H LYS A 59 5.454 5.299 5.287 1.00 0.00 H new ATOM 0 HA LYS A 59 4.057 3.349 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.889 3.534 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.067 2.022 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.418 1.877 3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.715 1.495 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.283 3.252 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.539 4.364 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.261 4.379 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.321 3.041 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.014 2.482 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.637 1.498 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.609 2.795 3.295 1.00 0.00 H new ATOM 1039 N TYR A 60 7.063 3.839 7.778 1.00 0.00 N ATOM 1040 CA TYR A 60 8.036 3.472 8.799 1.00 0.00 C ATOM 1041 C TYR A 60 7.340 3.081 10.099 1.00 0.00 C ATOM 1042 O TYR A 60 7.851 2.267 10.870 1.00 0.00 O ATOM 1043 CB TYR A 60 9.001 4.631 9.054 1.00 0.00 C ATOM 1044 CG TYR A 60 8.548 5.566 10.152 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.440 6.387 9.980 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.228 5.630 11.362 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.023 7.243 10.981 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.817 6.482 12.369 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.714 7.287 12.173 1.00 0.00 C ATOM 1050 OH TYR A 60 7.303 8.138 13.173 1.00 0.00 O ATOM 0 H TYR A 60 7.254 4.726 7.313 1.00 0.00 H new ATOM 0 HA TYR A 60 8.599 2.612 8.436 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.980 4.227 9.313 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.124 5.199 8.132 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.896 6.355 9.048 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.093 5.003 11.518 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.160 7.875 10.830 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.356 6.518 13.304 1.00 0.00 H new ATOM 0 HH TYR A 60 7.897 8.045 13.947 1.00 0.00 H new ATOM 1060 N ARG A 61 6.170 3.665 10.336 1.00 0.00 N ATOM 1061 CA ARG A 61 5.403 3.379 11.542 1.00 0.00 C ATOM 1062 C ARG A 61 4.665 2.049 11.414 1.00 0.00 C ATOM 1063 O ARG A 61 4.593 1.272 12.367 1.00 0.00 O ATOM 1064 CB ARG A 61 4.404 4.504 11.816 1.00 0.00 C ATOM 1065 CG ARG A 61 4.104 4.706 13.292 1.00 0.00 C ATOM 1066 CD ARG A 61 3.845 6.170 13.613 1.00 0.00 C ATOM 1067 NE ARG A 61 2.467 6.558 13.322 1.00 0.00 N ATOM 1068 CZ ARG A 61 1.421 6.134 14.022 1.00 0.00 C ATOM 1069 NH1 ARG A 61 1.594 5.313 15.049 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.198 6.532 13.696 1.00 0.00 N ATOM 0 H ARG A 61 5.732 4.339 9.708 1.00 0.00 H new ATOM 0 HA ARG A 61 6.100 3.310 12.377 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.795 5.434 11.403 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.473 4.288 11.291 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.234 4.112 13.572 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.942 4.345 13.888 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.059 6.354 14.666 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.527 6.794 13.036 1.00 0.00 H new ATOM 0 HE ARG A 61 2.299 7.189 12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.533 5.005 15.303 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.788 4.989 15.584 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.061 7.164 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.605 6.206 14.234 1.00 0.00 H new ATOM 1084 N LEU A 62 4.117 1.794 10.231 1.00 0.00 N ATOM 1085 CA LEU A 62 3.383 0.559 9.978 1.00 0.00 C ATOM 1086 C LEU A 62 4.313 -0.648 10.035 1.00 0.00 C ATOM 1087 O LEU A 62 3.918 -1.728 10.474 1.00 0.00 O ATOM 1088 CB LEU A 62 2.694 0.623 8.614 1.00 0.00 C ATOM 1089 CG LEU A 62 1.371 -0.135 8.494 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.583 -1.620 8.744 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.343 0.430 9.462 1.00 0.00 C ATOM 0 H LEU A 62 4.167 2.426 9.432 1.00 0.00 H new ATOM 0 HA LEU A 62 2.627 0.448 10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.513 1.670 8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.382 0.234 7.863 1.00 0.00 H new ATOM 0 HG LEU A 62 0.992 -0.009 7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.631 -2.144 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.285 -2.016 8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.985 -1.766 9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.592 -0.121 9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.714 0.335 10.483 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.170 1.482 9.235 1.00 0.00 H new