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 Single : A 15 GLN : amide:sc= -0.291 K(o=-0.29,f=-3.4!) USER MOD Single : A 16 GLN : amide:sc= 0.114 K(o=0.11,f=1) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.776 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.27) 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 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0357 (180deg=-0.305) USER MOD Single : A 55 ASN : amide:sc= -0.253 X(o=-0.25,f=0) 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 9.153 1.338 -8.279 1.00 0.00 N ATOM 230 CA ARG A 14 10.080 1.590 -7.181 1.00 0.00 C ATOM 231 C ARG A 14 10.356 3.084 -7.036 1.00 0.00 C ATOM 232 O ARG A 14 10.807 3.541 -5.986 1.00 0.00 O ATOM 233 CB ARG A 14 11.392 0.838 -7.411 1.00 0.00 C ATOM 234 CG ARG A 14 12.044 1.143 -8.749 1.00 0.00 C ATOM 235 CD ARG A 14 11.836 0.010 -9.742 1.00 0.00 C ATOM 236 NE ARG A 14 12.926 -0.961 -9.700 1.00 0.00 N ATOM 237 CZ ARG A 14 14.128 -0.739 -10.220 1.00 0.00 C ATOM 238 NH1 ARG A 14 14.393 0.415 -10.818 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.068 -1.672 -10.142 1.00 0.00 N ATOM 0 HA ARG A 14 9.620 1.231 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.089 1.089 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.203 -0.233 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.629 2.065 -9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.111 1.311 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.894 -0.493 -9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.755 0.420 -10.749 1.00 0.00 H new ATOM 0 HE ARG A 14 12.755 -1.859 -9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.673 1.135 -10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.317 0.583 -11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.868 -2.560 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.991 -1.501 -10.542 1.00 0.00 H new ATOM 253 N GLN A 15 10.083 3.837 -8.097 1.00 0.00 N ATOM 254 CA GLN A 15 10.304 5.278 -8.087 1.00 0.00 C ATOM 255 C GLN A 15 9.553 5.936 -6.934 1.00 0.00 C ATOM 256 O GLN A 15 10.131 6.696 -6.158 1.00 0.00 O ATOM 257 CB GLN A 15 9.862 5.892 -9.416 1.00 0.00 C ATOM 258 CG GLN A 15 10.628 5.361 -10.616 1.00 0.00 C ATOM 259 CD GLN A 15 12.035 5.919 -10.703 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.540 6.514 -9.750 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.678 5.729 -11.850 1.00 0.00 N ATOM 0 H GLN A 15 9.709 3.473 -8.973 1.00 0.00 H new ATOM 0 HA GLN A 15 11.371 5.456 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.799 5.699 -9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.986 6.974 -9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.675 4.273 -10.560 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.085 5.610 -11.528 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.222 5.230 -12.614 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.628 6.082 -11.967 1.00 0.00 H new ATOM 270 N GLN A 16 8.262 5.638 -6.829 1.00 0.00 N ATOM 271 CA GLN A 16 7.432 6.202 -5.771 1.00 0.00 C ATOM 272 C GLN A 16 8.032 5.917 -4.398 1.00 0.00 C ATOM 273 O GLN A 16 7.901 6.720 -3.473 1.00 0.00 O ATOM 274 CB GLN A 16 6.014 5.634 -5.848 1.00 0.00 C ATOM 275 CG GLN A 16 5.115 6.372 -6.827 1.00 0.00 C ATOM 276 CD GLN A 16 4.172 7.338 -6.139 1.00 0.00 C ATOM 277 OE1 GLN A 16 4.551 8.461 -5.803 1.00 0.00 O ATOM 278 NE2 GLN A 16 2.934 6.907 -5.926 1.00 0.00 N ATOM 0 H GLN A 16 7.768 5.010 -7.463 1.00 0.00 H new ATOM 0 HA GLN A 16 7.391 7.282 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.067 4.584 -6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.563 5.669 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.732 6.919 -7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.534 5.648 -7.398 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.663 5.969 -6.221 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.254 7.514 -5.468 1.00 0.00 H new ATOM 287 N LEU A 17 8.690 4.770 -4.272 1.00 0.00 N ATOM 288 CA LEU A 17 9.311 4.379 -3.011 1.00 0.00 C ATOM 289 C LEU A 17 10.747 4.888 -2.930 1.00 0.00 C ATOM 290 O LEU A 17 11.372 4.844 -1.871 1.00 0.00 O ATOM 291 CB LEU A 17 9.288 2.857 -2.859 1.00 0.00 C ATOM 292 CG LEU A 17 7.906 2.219 -2.713 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.823 0.936 -3.526 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.597 1.945 -1.249 1.00 0.00 C ATOM 0 H LEU A 17 8.807 4.095 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 17 8.740 4.828 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.779 2.418 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.884 2.590 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 17 7.162 2.917 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.833 0.495 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.000 1.160 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.577 0.232 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.610 1.491 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.345 1.266 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.615 2.882 -0.692 1.00 0.00 H new ATOM 306 N GLU A 18 11.263 5.371 -4.056 1.00 0.00 N ATOM 307 CA GLU A 18 12.625 5.889 -4.111 1.00 0.00 C ATOM 308 C GLU A 18 12.724 7.236 -3.401 1.00 0.00 C ATOM 309 O GLU A 18 13.690 7.502 -2.685 1.00 0.00 O ATOM 310 CB GLU A 18 13.081 6.032 -5.565 1.00 0.00 C ATOM 311 CG GLU A 18 13.472 4.715 -6.212 1.00 0.00 C ATOM 312 CD GLU A 18 14.798 4.796 -6.945 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.077 5.850 -7.552 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.555 3.804 -6.910 1.00 0.00 O ATOM 0 H GLU A 18 10.759 5.414 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 18 13.277 5.180 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.279 6.488 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.931 6.713 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.531 3.942 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.692 4.412 -6.911 1.00 0.00 H new ATOM 321 N ILE A 19 11.718 8.081 -3.604 1.00 0.00 N ATOM 322 CA ILE A 19 11.692 9.399 -2.982 1.00 0.00 C ATOM 323 C ILE A 19 12.099 9.323 -1.515 1.00 0.00 C ATOM 324 O ILE A 19 12.800 10.200 -1.008 1.00 0.00 O ATOM 325 CB ILE A 19 10.296 10.041 -3.084 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.805 10.020 -4.533 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.328 11.465 -2.550 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.601 9.130 -4.750 1.00 0.00 C ATOM 0 H ILE A 19 10.911 7.876 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 19 12.408 10.018 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 19 9.601 9.462 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.555 11.036 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.616 9.684 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.334 11.906 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.639 11.455 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.034 12.056 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.308 9.164 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.852 8.105 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.774 9.479 -4.131 1.00 0.00 H new ATOM 340 N LEU A 20 11.657 8.270 -0.837 1.00 0.00 N ATOM 341 CA LEU A 20 11.976 8.078 0.573 1.00 0.00 C ATOM 342 C LEU A 20 13.211 7.197 0.736 1.00 0.00 C ATOM 343 O LEU A 20 14.229 7.633 1.272 1.00 0.00 O ATOM 344 CB LEU A 20 10.788 7.451 1.305 1.00 0.00 C ATOM 345 CG LEU A 20 9.418 7.657 0.659 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.221 9.116 0.276 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.262 6.759 -0.560 1.00 0.00 C ATOM 0 H LEU A 20 11.076 7.535 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 20 12.188 9.054 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.967 6.380 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.755 7.856 2.316 1.00 0.00 H new ATOM 0 HG LEU A 20 8.652 7.387 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.240 9.243 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.288 9.739 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.994 9.414 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.281 6.919 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.036 6.998 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.357 5.716 -0.258 1.00 0.00 H new ATOM 359 N GLU A 21 13.112 5.956 0.270 1.00 0.00 N ATOM 360 CA GLU A 21 14.222 5.015 0.363 1.00 0.00 C ATOM 361 C GLU A 21 15.539 5.688 -0.008 1.00 0.00 C ATOM 362 O GLU A 21 16.604 5.309 0.481 1.00 0.00 O ATOM 363 CB GLU A 21 13.977 3.811 -0.549 1.00 0.00 C ATOM 364 CG GLU A 21 14.392 2.485 0.068 1.00 0.00 C ATOM 365 CD GLU A 21 14.684 1.423 -0.974 1.00 0.00 C ATOM 366 OE1 GLU A 21 15.308 1.758 -2.003 1.00 0.00 O ATOM 367 OE2 GLU A 21 14.289 0.258 -0.761 1.00 0.00 O ATOM 0 H GLU A 21 12.275 5.579 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 21 14.288 4.672 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.918 3.768 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.523 3.955 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.278 2.637 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.600 2.132 0.729 1.00 0.00 H new ATOM 374 N THR A 22 15.460 6.691 -0.878 1.00 0.00 N ATOM 375 CA THR A 22 16.645 7.417 -1.317 1.00 0.00 C ATOM 376 C THR A 22 16.905 8.632 -0.434 1.00 0.00 C ATOM 377 O THR A 22 18.006 8.809 0.088 1.00 0.00 O ATOM 378 CB THR A 22 16.510 7.880 -2.780 1.00 0.00 C ATOM 379 OG1 THR A 22 16.098 6.784 -3.605 1.00 0.00 O ATOM 380 CG2 THR A 22 17.827 8.441 -3.294 1.00 0.00 C ATOM 0 H THR A 22 14.587 7.019 -1.292 1.00 0.00 H new ATOM 0 HA THR A 22 17.485 6.727 -1.237 1.00 0.00 H new ATOM 0 HB THR A 22 15.758 8.668 -2.820 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.137 6.629 -3.487 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.707 8.761 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.123 9.293 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.596 7.671 -3.240 1.00 0.00 H new ATOM 388 N LEU A 23 15.884 9.466 -0.269 1.00 0.00 N ATOM 389 CA LEU A 23 16.002 10.665 0.554 1.00 0.00 C ATOM 390 C LEU A 23 16.045 10.307 2.036 1.00 0.00 C ATOM 391 O LEU A 23 17.052 10.528 2.709 1.00 0.00 O ATOM 392 CB LEU A 23 14.832 11.612 0.280 1.00 0.00 C ATOM 393 CG LEU A 23 14.977 13.033 0.824 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.987 13.968 0.147 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.782 13.049 2.333 1.00 0.00 C ATOM 0 H LEU A 23 14.966 9.334 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 23 16.935 11.164 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.683 11.671 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.929 11.173 0.703 1.00 0.00 H new ATOM 0 HG LEU A 23 15.985 13.384 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.105 14.975 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.174 13.980 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.971 13.620 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.889 14.069 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.786 12.678 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.531 12.412 2.803 1.00 0.00 H new ATOM 407 N PHE A 24 14.947 9.751 2.537 1.00 0.00 N ATOM 408 CA PHE A 24 14.859 9.361 3.939 1.00 0.00 C ATOM 409 C PHE A 24 16.128 8.639 4.383 1.00 0.00 C ATOM 410 O PHE A 24 16.575 8.789 5.519 1.00 0.00 O ATOM 411 CB PHE A 24 13.642 8.463 4.166 1.00 0.00 C ATOM 412 CG PHE A 24 13.588 7.861 5.541 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.305 8.649 6.645 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.821 6.508 5.729 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.254 8.098 7.912 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.772 5.952 6.994 1.00 0.00 C ATOM 417 CZ PHE A 24 13.489 6.748 8.087 1.00 0.00 C ATOM 0 H PHE A 24 14.106 9.560 1.993 1.00 0.00 H new ATOM 0 HA PHE A 24 14.749 10.267 4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.735 9.044 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.649 7.661 3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.122 9.705 6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.043 5.881 4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.031 8.723 8.764 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.955 4.896 7.128 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.452 6.316 9.076 1.00 0.00 H new ATOM 427 N ASN A 25 16.703 7.855 3.477 1.00 0.00 N ATOM 428 CA ASN A 25 17.920 7.108 3.775 1.00 0.00 C ATOM 429 C ASN A 25 19.148 8.008 3.678 1.00 0.00 C ATOM 430 O ASN A 25 20.042 7.946 4.521 1.00 0.00 O ATOM 431 CB ASN A 25 18.064 5.924 2.816 1.00 0.00 C ATOM 432 CG ASN A 25 19.110 4.929 3.279 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.311 5.159 3.132 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.658 3.815 3.842 1.00 0.00 N ATOM 0 H ASN A 25 16.346 7.720 2.531 1.00 0.00 H new ATOM 0 HA ASN A 25 17.846 6.733 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.103 5.419 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.330 6.293 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.315 3.108 4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.654 3.666 3.944 1.00 0.00 H new ATOM 441 N GLU A 26 19.182 8.844 2.646 1.00 0.00 N ATOM 442 CA GLU A 26 20.301 9.757 2.439 1.00 0.00 C ATOM 443 C GLU A 26 20.563 10.587 3.692 1.00 0.00 C ATOM 444 O GLU A 26 21.704 10.715 4.139 1.00 0.00 O ATOM 445 CB GLU A 26 20.022 10.680 1.251 1.00 0.00 C ATOM 446 CG GLU A 26 21.134 11.681 0.985 1.00 0.00 C ATOM 447 CD GLU A 26 22.504 11.032 0.936 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.675 10.067 0.161 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.403 11.488 1.672 1.00 0.00 O ATOM 0 H GLU A 26 18.448 8.909 1.940 1.00 0.00 H new ATOM 0 HA GLU A 26 21.189 9.162 2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.869 10.074 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.093 11.221 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.942 12.188 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.125 12.444 1.764 1.00 0.00 H new ATOM 456 N THR A 27 19.499 11.151 4.256 1.00 0.00 N ATOM 457 CA THR A 27 19.613 11.970 5.455 1.00 0.00 C ATOM 458 C THR A 27 18.245 12.448 5.927 1.00 0.00 C ATOM 459 O THR A 27 17.242 12.261 5.239 1.00 0.00 O ATOM 460 CB THR A 27 20.517 13.194 5.215 1.00 0.00 C ATOM 461 OG1 THR A 27 20.723 13.384 3.811 1.00 0.00 O ATOM 462 CG2 THR A 27 21.859 13.021 5.911 1.00 0.00 C ATOM 0 H THR A 27 18.548 11.055 3.900 1.00 0.00 H new ATOM 0 HA THR A 27 20.061 11.342 6.225 1.00 0.00 H new ATOM 0 HB THR A 27 20.021 14.071 5.630 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.297 14.165 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.480 13.898 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.701 12.907 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.359 12.134 5.522 1.00 0.00 H new ATOM 470 N GLN A 28 18.212 13.066 7.103 1.00 0.00 N ATOM 471 CA GLN A 28 16.965 13.570 7.666 1.00 0.00 C ATOM 472 C GLN A 28 16.844 15.076 7.460 1.00 0.00 C ATOM 473 O GLN A 28 16.469 15.810 8.374 1.00 0.00 O ATOM 474 CB GLN A 28 16.883 13.239 9.158 1.00 0.00 C ATOM 475 CG GLN A 28 16.607 11.772 9.441 1.00 0.00 C ATOM 476 CD GLN A 28 15.127 11.469 9.565 1.00 0.00 C ATOM 477 OE1 GLN A 28 14.382 11.548 8.588 1.00 0.00 O ATOM 478 NE2 GLN A 28 14.693 11.120 10.770 1.00 0.00 N ATOM 0 H GLN A 28 19.034 13.230 7.684 1.00 0.00 H new ATOM 0 HA GLN A 28 16.139 13.083 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.820 13.523 9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.097 13.842 9.613 1.00 0.00 H new ATOM 0 HG2 GLN A 28 17.032 11.166 8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.111 11.483 10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.346 11.067 11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.707 10.904 10.914 1.00 0.00 H new ATOM 487 N TYR A 29 17.166 15.530 6.254 1.00 0.00 N ATOM 488 CA TYR A 29 17.097 16.950 5.928 1.00 0.00 C ATOM 489 C TYR A 29 15.994 17.222 4.909 1.00 0.00 C ATOM 490 O TYR A 29 16.247 17.419 3.720 1.00 0.00 O ATOM 491 CB TYR A 29 18.441 17.436 5.384 1.00 0.00 C ATOM 492 CG TYR A 29 19.612 17.107 6.282 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.526 17.277 7.659 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.805 16.628 5.754 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.594 16.978 8.483 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.877 16.326 6.571 1.00 0.00 C ATOM 497 CZ TYR A 29 21.767 16.502 7.935 1.00 0.00 C ATOM 498 OH TYR A 29 22.833 16.204 8.751 1.00 0.00 O ATOM 0 H TYR A 29 17.477 14.936 5.486 1.00 0.00 H new ATOM 0 HA TYR A 29 16.864 17.496 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.609 16.990 4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.396 18.516 5.240 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.609 17.649 8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.895 16.490 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.511 17.116 9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.797 15.954 6.144 1.00 0.00 H new ATOM 0 HH TYR A 29 23.581 15.879 8.207 1.00 0.00 H new ATOM 508 N PRO A 30 14.740 17.234 5.384 1.00 0.00 N ATOM 509 CA PRO A 30 13.573 17.481 4.532 1.00 0.00 C ATOM 510 C PRO A 30 13.507 18.925 4.046 1.00 0.00 C ATOM 511 O PRO A 30 12.733 19.730 4.565 1.00 0.00 O ATOM 512 CB PRO A 30 12.390 17.172 5.453 1.00 0.00 C ATOM 513 CG PRO A 30 12.913 17.396 6.830 1.00 0.00 C ATOM 514 CD PRO A 30 14.365 17.006 6.790 1.00 0.00 C ATOM 0 HA PRO A 30 13.594 16.876 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.542 17.824 5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.044 16.147 5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.797 18.438 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.367 16.795 7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.963 17.613 7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.510 15.966 7.081 1.00 0.00 H new ATOM 522 N ASP A 31 14.322 19.246 3.047 1.00 0.00 N ATOM 523 CA ASP A 31 14.354 20.593 2.490 1.00 0.00 C ATOM 524 C ASP A 31 14.231 20.555 0.970 1.00 0.00 C ATOM 525 O ASP A 31 14.215 19.483 0.364 1.00 0.00 O ATOM 526 CB ASP A 31 15.647 21.304 2.892 1.00 0.00 C ATOM 527 CG ASP A 31 15.528 22.012 4.227 1.00 0.00 C ATOM 528 OD1 ASP A 31 15.650 21.336 5.270 1.00 0.00 O ATOM 529 OD2 ASP A 31 15.313 23.242 4.229 1.00 0.00 O ATOM 0 H ASP A 31 14.969 18.592 2.607 1.00 0.00 H new ATOM 0 HA ASP A 31 13.505 21.146 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.458 20.577 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.914 22.028 2.123 1.00 0.00 H new ATOM 534 N VAL A 32 14.144 21.732 0.358 1.00 0.00 N ATOM 535 CA VAL A 32 14.023 21.834 -1.091 1.00 0.00 C ATOM 536 C VAL A 32 15.119 21.039 -1.791 1.00 0.00 C ATOM 537 O VAL A 32 14.863 20.331 -2.766 1.00 0.00 O ATOM 538 CB VAL A 32 14.088 23.300 -1.559 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.817 24.041 -1.172 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.314 23.989 -0.979 1.00 0.00 C ATOM 0 H VAL A 32 14.155 22.629 0.844 1.00 0.00 H new ATOM 0 HA VAL A 32 13.051 21.419 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 32 14.171 23.314 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.881 25.075 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.958 23.559 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.700 24.021 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.345 25.024 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.263 23.966 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.214 23.471 -1.311 1.00 0.00 H new ATOM 550 N PHE A 33 16.343 21.161 -1.289 1.00 0.00 N ATOM 551 CA PHE A 33 17.481 20.454 -1.866 1.00 0.00 C ATOM 552 C PHE A 33 17.214 18.953 -1.927 1.00 0.00 C ATOM 553 O PHE A 33 17.808 18.239 -2.735 1.00 0.00 O ATOM 554 CB PHE A 33 18.746 20.726 -1.049 1.00 0.00 C ATOM 555 CG PHE A 33 19.694 21.683 -1.713 1.00 0.00 C ATOM 556 CD1 PHE A 33 20.331 21.339 -2.894 1.00 0.00 C ATOM 557 CD2 PHE A 33 19.949 22.925 -1.156 1.00 0.00 C ATOM 558 CE1 PHE A 33 21.205 22.217 -3.508 1.00 0.00 C ATOM 559 CE2 PHE A 33 20.821 23.807 -1.765 1.00 0.00 C ATOM 560 CZ PHE A 33 21.451 23.453 -2.942 1.00 0.00 C ATOM 0 H PHE A 33 16.573 21.743 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 33 17.628 20.821 -2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.461 21.126 -0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.262 19.783 -0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.143 20.374 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 33 19.461 23.207 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.695 21.937 -4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.010 24.773 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.134 24.141 -3.419 1.00 0.00 H new ATOM 570 N ALA A 34 16.318 18.482 -1.067 1.00 0.00 N ATOM 571 CA ALA A 34 15.971 17.066 -1.023 1.00 0.00 C ATOM 572 C ALA A 34 14.864 16.742 -2.021 1.00 0.00 C ATOM 573 O ALA A 34 15.076 15.993 -2.975 1.00 0.00 O ATOM 574 CB ALA A 34 15.550 16.669 0.384 1.00 0.00 C ATOM 0 H ALA A 34 15.819 19.060 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 34 16.854 16.491 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.294 15.610 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.371 16.855 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.683 17.257 0.684 1.00 0.00 H new ATOM 580 N ARG A 35 13.684 17.309 -1.793 1.00 0.00 N ATOM 581 CA ARG A 35 12.543 17.077 -2.671 1.00 0.00 C ATOM 582 C ARG A 35 12.890 17.426 -4.116 1.00 0.00 C ATOM 583 O ARG A 35 12.583 16.670 -5.037 1.00 0.00 O ATOM 584 CB ARG A 35 11.342 17.904 -2.209 1.00 0.00 C ATOM 585 CG ARG A 35 11.655 19.378 -2.013 1.00 0.00 C ATOM 586 CD ARG A 35 10.453 20.136 -1.473 1.00 0.00 C ATOM 587 NE ARG A 35 10.805 20.983 -0.336 1.00 0.00 N ATOM 588 CZ ARG A 35 10.921 20.532 0.908 1.00 0.00 C ATOM 589 NH1 ARG A 35 10.713 19.249 1.174 1.00 0.00 N ATOM 590 NH2 ARG A 35 11.245 21.364 1.889 1.00 0.00 N ATOM 0 H ARG A 35 13.493 17.932 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 35 12.287 16.019 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.541 17.806 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.968 17.493 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.493 19.485 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.965 19.815 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.027 20.752 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.683 19.426 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 35 10.971 21.975 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.463 18.606 0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.803 18.905 2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.405 22.351 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.334 21.017 2.844 1.00 0.00 H new ATOM 604 N GLU A 36 13.529 18.576 -4.304 1.00 0.00 N ATOM 605 CA GLU A 36 13.915 19.025 -5.637 1.00 0.00 C ATOM 606 C GLU A 36 14.871 18.031 -6.290 1.00 0.00 C ATOM 607 O GLU A 36 14.969 17.961 -7.515 1.00 0.00 O ATOM 608 CB GLU A 36 14.570 20.407 -5.564 1.00 0.00 C ATOM 609 CG GLU A 36 14.909 20.992 -6.925 1.00 0.00 C ATOM 610 CD GLU A 36 15.063 22.500 -6.889 1.00 0.00 C ATOM 611 OE1 GLU A 36 15.626 23.015 -5.900 1.00 0.00 O ATOM 612 OE2 GLU A 36 14.621 23.165 -7.849 1.00 0.00 O ATOM 0 H GLU A 36 13.790 19.213 -3.552 1.00 0.00 H new ATOM 0 HA GLU A 36 13.013 19.090 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.901 21.090 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.482 20.337 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.834 20.545 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.126 20.727 -7.636 1.00 0.00 H new ATOM 619 N ARG A 37 15.576 17.266 -5.463 1.00 0.00 N ATOM 620 CA ARG A 37 16.525 16.277 -5.959 1.00 0.00 C ATOM 621 C ARG A 37 15.804 15.015 -6.423 1.00 0.00 C ATOM 622 O ARG A 37 15.847 14.660 -7.601 1.00 0.00 O ATOM 623 CB ARG A 37 17.543 15.926 -4.872 1.00 0.00 C ATOM 624 CG ARG A 37 18.630 14.972 -5.341 1.00 0.00 C ATOM 625 CD ARG A 37 19.180 14.145 -4.189 1.00 0.00 C ATOM 626 NE ARG A 37 20.362 14.760 -3.590 1.00 0.00 N ATOM 627 CZ ARG A 37 21.576 14.693 -4.125 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.767 14.043 -5.265 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.602 15.278 -3.520 1.00 0.00 N ATOM 0 H ARG A 37 15.508 17.312 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 37 17.049 16.709 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.008 16.844 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.020 15.480 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.228 14.309 -6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.439 15.539 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.409 14.025 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.433 13.147 -4.547 1.00 0.00 H new ATOM 0 HE ARG A 37 20.249 15.269 -2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.981 13.593 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.700 13.993 -5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.459 15.780 -2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.534 15.226 -3.931 1.00 0.00 H new ATOM 643 N VAL A 38 15.141 14.341 -5.488 1.00 0.00 N ATOM 644 CA VAL A 38 14.410 13.119 -5.800 1.00 0.00 C ATOM 645 C VAL A 38 13.413 13.349 -6.931 1.00 0.00 C ATOM 646 O VAL A 38 13.026 12.413 -7.630 1.00 0.00 O ATOM 647 CB VAL A 38 13.657 12.585 -4.567 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.617 11.891 -3.614 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.918 13.714 -3.865 1.00 0.00 C ATOM 0 H VAL A 38 15.095 14.621 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 38 15.147 12.380 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 38 12.922 11.852 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.067 11.520 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.096 11.056 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.377 12.599 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.391 13.319 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.632 14.472 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.200 14.161 -4.552 1.00 0.00 H new ATOM 659 N ALA A 39 13.003 14.600 -7.105 1.00 0.00 N ATOM 660 CA ALA A 39 12.053 14.954 -8.153 1.00 0.00 C ATOM 661 C ALA A 39 12.559 14.516 -9.523 1.00 0.00 C ATOM 662 O ALA A 39 11.771 14.206 -10.416 1.00 0.00 O ATOM 663 CB ALA A 39 11.787 16.452 -8.140 1.00 0.00 C ATOM 0 H ALA A 39 13.313 15.386 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 39 11.119 14.429 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.076 16.702 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.374 16.740 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.720 16.989 -8.310 1.00 0.00 H new ATOM 669 N ASP A 40 13.878 14.494 -9.682 1.00 0.00 N ATOM 670 CA ASP A 40 14.489 14.094 -10.944 1.00 0.00 C ATOM 671 C ASP A 40 14.634 12.577 -11.021 1.00 0.00 C ATOM 672 O ASP A 40 14.846 12.018 -12.096 1.00 0.00 O ATOM 673 CB ASP A 40 15.857 14.758 -11.106 1.00 0.00 C ATOM 674 CG ASP A 40 16.308 14.810 -12.553 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.673 15.536 -13.347 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.295 14.126 -12.891 1.00 0.00 O ATOM 0 H ASP A 40 14.544 14.748 -8.953 1.00 0.00 H new ATOM 0 HA ASP A 40 13.837 14.420 -11.754 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.816 15.771 -10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.595 14.212 -10.518 1.00 0.00 H new ATOM 681 N GLN A 41 14.521 11.918 -9.872 1.00 0.00 N ATOM 682 CA GLN A 41 14.642 10.466 -9.809 1.00 0.00 C ATOM 683 C GLN A 41 13.365 9.792 -10.301 1.00 0.00 C ATOM 684 O GLN A 41 13.406 8.923 -11.172 1.00 0.00 O ATOM 685 CB GLN A 41 14.950 10.020 -8.379 1.00 0.00 C ATOM 686 CG GLN A 41 16.319 10.461 -7.886 1.00 0.00 C ATOM 687 CD GLN A 41 17.406 9.453 -8.203 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.250 8.257 -7.956 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.515 9.932 -8.754 1.00 0.00 N ATOM 0 H GLN A 41 14.346 12.366 -8.973 1.00 0.00 H new ATOM 0 HA GLN A 41 15.463 10.166 -10.460 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.187 10.418 -7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.886 8.933 -8.324 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.573 11.419 -8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.279 10.620 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.601 10.931 -8.941 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.281 9.301 -8.990 1.00 0.00 H new ATOM 698 N ILE A 42 12.232 10.198 -9.737 1.00 0.00 N ATOM 699 CA ILE A 42 10.944 9.634 -10.118 1.00 0.00 C ATOM 700 C ILE A 42 10.304 10.436 -11.246 1.00 0.00 C ATOM 701 O ILE A 42 9.270 10.048 -11.789 1.00 0.00 O ATOM 702 CB ILE A 42 9.974 9.586 -8.923 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.368 10.969 -8.675 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.691 9.084 -7.679 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.279 10.971 -7.625 1.00 0.00 C ATOM 0 H ILE A 42 12.181 10.916 -9.014 1.00 0.00 H new ATOM 0 HA ILE A 42 11.135 8.617 -10.461 1.00 0.00 H new ATOM 0 HB ILE A 42 9.166 8.893 -9.157 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.159 11.654 -8.368 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.960 11.351 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.992 9.056 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.079 8.082 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.517 9.754 -7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.895 11.984 -7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.470 10.312 -7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.687 10.619 -6.677 1.00 0.00 H new ATOM 717 N ARG A 43 10.927 11.557 -11.594 1.00 0.00 N ATOM 718 CA ARG A 43 10.420 12.415 -12.658 1.00 0.00 C ATOM 719 C ARG A 43 9.121 13.096 -12.235 1.00 0.00 C ATOM 720 O ARG A 43 8.086 12.942 -12.885 1.00 0.00 O ATOM 721 CB ARG A 43 10.189 11.601 -13.932 1.00 0.00 C ATOM 722 CG ARG A 43 10.423 12.389 -15.210 1.00 0.00 C ATOM 723 CD ARG A 43 9.551 13.634 -15.264 1.00 0.00 C ATOM 724 NE ARG A 43 9.773 14.405 -16.485 1.00 0.00 N ATOM 725 CZ ARG A 43 10.841 15.167 -16.689 1.00 0.00 C ATOM 726 NH1 ARG A 43 11.781 15.259 -15.759 1.00 0.00 N ATOM 727 NH2 ARG A 43 10.972 15.838 -17.827 1.00 0.00 N ATOM 0 H ARG A 43 11.784 11.892 -11.154 1.00 0.00 H new ATOM 0 HA ARG A 43 11.166 13.184 -12.856 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.850 10.734 -13.924 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.167 11.223 -13.931 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.473 12.675 -15.275 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.211 11.757 -16.072 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.502 13.345 -15.204 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.759 14.260 -14.397 1.00 0.00 H new ATOM 0 HE ARG A 43 9.069 14.355 -17.221 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.685 14.744 -14.884 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.600 15.845 -15.918 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.252 15.769 -18.546 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.793 16.423 -17.982 1.00 0.00 H new ATOM 741 N LEU A 44 9.183 13.848 -11.141 1.00 0.00 N ATOM 742 CA LEU A 44 8.013 14.552 -10.630 1.00 0.00 C ATOM 743 C LEU A 44 8.388 15.945 -10.135 1.00 0.00 C ATOM 744 O LEU A 44 9.564 16.244 -9.929 1.00 0.00 O ATOM 745 CB LEU A 44 7.367 13.753 -9.496 1.00 0.00 C ATOM 746 CG LEU A 44 6.003 14.250 -9.017 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.013 14.287 -10.171 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.479 13.370 -7.892 1.00 0.00 C ATOM 0 H LEU A 44 10.031 13.985 -10.591 1.00 0.00 H new ATOM 0 HA LEU A 44 7.298 14.657 -11.446 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.260 12.719 -9.822 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.049 13.750 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 44 6.122 15.263 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.048 14.643 -9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.382 14.959 -10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.899 13.285 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.507 13.739 -7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.376 12.345 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.178 13.394 -7.056 1.00 0.00 H new ATOM 760 N GLN A 45 7.381 16.792 -9.945 1.00 0.00 N ATOM 761 CA GLN A 45 7.607 18.153 -9.473 1.00 0.00 C ATOM 762 C GLN A 45 8.361 18.151 -8.148 1.00 0.00 C ATOM 763 O GLN A 45 8.259 17.207 -7.366 1.00 0.00 O ATOM 764 CB GLN A 45 6.275 18.887 -9.314 1.00 0.00 C ATOM 765 CG GLN A 45 6.082 20.020 -10.310 1.00 0.00 C ATOM 766 CD GLN A 45 4.620 20.316 -10.581 1.00 0.00 C ATOM 767 OE1 GLN A 45 3.994 19.685 -11.433 1.00 0.00 O ATOM 768 NE2 GLN A 45 4.067 21.282 -9.856 1.00 0.00 N ATOM 0 H GLN A 45 6.402 16.560 -10.111 1.00 0.00 H new ATOM 0 HA GLN A 45 8.214 18.672 -10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.460 18.172 -9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.209 19.288 -8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.566 20.919 -9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.577 19.763 -11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.623 21.779 -9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.086 21.526 -9.995 1.00 0.00 H new ATOM 777 N GLU A 46 9.119 19.216 -7.903 1.00 0.00 N ATOM 778 CA GLU A 46 9.892 19.335 -6.672 1.00 0.00 C ATOM 779 C GLU A 46 8.972 19.528 -5.469 1.00 0.00 C ATOM 780 O GLU A 46 9.163 18.907 -4.423 1.00 0.00 O ATOM 781 CB GLU A 46 10.872 20.506 -6.770 1.00 0.00 C ATOM 782 CG GLU A 46 10.207 21.831 -7.104 1.00 0.00 C ATOM 783 CD GLU A 46 9.925 22.669 -5.872 1.00 0.00 C ATOM 784 OE1 GLU A 46 9.986 22.117 -4.753 1.00 0.00 O ATOM 785 OE2 GLU A 46 9.645 23.876 -6.026 1.00 0.00 O ATOM 0 H GLU A 46 9.214 20.007 -8.540 1.00 0.00 H new ATOM 0 HA GLU A 46 10.453 18.411 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.403 20.604 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.618 20.281 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.848 22.394 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.272 21.641 -7.632 1.00 0.00 H new ATOM 792 N SER A 47 7.975 20.393 -5.626 1.00 0.00 N ATOM 793 CA SER A 47 7.029 20.671 -4.552 1.00 0.00 C ATOM 794 C SER A 47 5.979 19.569 -4.454 1.00 0.00 C ATOM 795 O SER A 47 5.395 19.345 -3.394 1.00 0.00 O ATOM 796 CB SER A 47 6.347 22.021 -4.782 1.00 0.00 C ATOM 797 OG SER A 47 5.884 22.574 -3.562 1.00 0.00 O ATOM 0 H SER A 47 7.802 20.913 -6.486 1.00 0.00 H new ATOM 0 HA SER A 47 7.583 20.706 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.047 22.710 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.510 21.897 -5.469 1.00 0.00 H new ATOM 0 HG SER A 47 5.454 23.437 -3.736 1.00 0.00 H new ATOM 803 N ARG A 48 5.745 18.882 -5.568 1.00 0.00 N ATOM 804 CA ARG A 48 4.765 17.804 -5.609 1.00 0.00 C ATOM 805 C ARG A 48 5.307 16.551 -4.927 1.00 0.00 C ATOM 806 O ARG A 48 4.615 15.920 -4.127 1.00 0.00 O ATOM 807 CB ARG A 48 4.386 17.485 -7.056 1.00 0.00 C ATOM 808 CG ARG A 48 3.397 16.339 -7.189 1.00 0.00 C ATOM 809 CD ARG A 48 2.014 16.736 -6.698 1.00 0.00 C ATOM 810 NE ARG A 48 0.954 16.098 -7.474 1.00 0.00 N ATOM 811 CZ ARG A 48 -0.297 16.543 -7.513 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.643 17.622 -6.824 1.00 0.00 N ATOM 813 NH2 ARG A 48 -1.206 15.908 -8.243 1.00 0.00 N ATOM 0 H ARG A 48 6.221 19.053 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 48 3.876 18.135 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.960 18.377 -7.516 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.290 17.240 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.338 16.027 -8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.754 15.481 -6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.910 16.462 -5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.905 17.819 -6.757 1.00 0.00 H new ATOM 0 HE ARG A 48 1.187 15.266 -8.015 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.052 18.113 -6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.604 17.961 -6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.944 15.078 -8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.166 16.250 -8.272 1.00 0.00 H new ATOM 827 N ILE A 49 6.546 16.197 -5.249 1.00 0.00 N ATOM 828 CA ILE A 49 7.180 15.021 -4.667 1.00 0.00 C ATOM 829 C ILE A 49 7.143 15.073 -3.143 1.00 0.00 C ATOM 830 O ILE A 49 7.239 14.044 -2.475 1.00 0.00 O ATOM 831 CB ILE A 49 8.643 14.882 -5.129 1.00 0.00 C ATOM 832 CG1 ILE A 49 9.002 13.408 -5.323 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.580 15.534 -4.124 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.402 13.191 -5.854 1.00 0.00 C ATOM 0 H ILE A 49 7.131 16.708 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 49 6.615 14.155 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 49 8.756 15.392 -6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.899 12.889 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.287 12.956 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.610 15.427 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.336 16.592 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.467 15.050 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.587 12.123 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.504 13.681 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.125 13.613 -5.156 1.00 0.00 H new ATOM 846 N GLN A 50 7.002 16.279 -2.602 1.00 0.00 N ATOM 847 CA GLN A 50 6.952 16.465 -1.157 1.00 0.00 C ATOM 848 C GLN A 50 5.801 15.672 -0.546 1.00 0.00 C ATOM 849 O GLN A 50 5.955 15.038 0.498 1.00 0.00 O ATOM 850 CB GLN A 50 6.801 17.949 -0.817 1.00 0.00 C ATOM 851 CG GLN A 50 7.768 18.430 0.252 1.00 0.00 C ATOM 852 CD GLN A 50 7.148 18.445 1.636 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.185 17.447 2.356 1.00 0.00 O ATOM 854 NE2 GLN A 50 6.574 19.580 2.015 1.00 0.00 N ATOM 0 H GLN A 50 6.920 17.141 -3.142 1.00 0.00 H new ATOM 0 HA GLN A 50 7.888 16.097 -0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.951 18.538 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.781 18.134 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.647 17.785 0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.111 19.434 0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.567 20.383 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.140 19.650 2.936 1.00 0.00 H new ATOM 863 N VAL A 51 4.646 15.713 -1.203 1.00 0.00 N ATOM 864 CA VAL A 51 3.469 14.998 -0.725 1.00 0.00 C ATOM 865 C VAL A 51 3.689 13.490 -0.761 1.00 0.00 C ATOM 866 O VAL A 51 3.147 12.753 0.063 1.00 0.00 O ATOM 867 CB VAL A 51 2.224 15.343 -1.563 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.129 16.845 -1.785 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.253 14.601 -2.891 1.00 0.00 C ATOM 0 H VAL A 51 4.501 16.234 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 51 3.304 15.314 0.305 1.00 0.00 H new ATOM 0 HB VAL A 51 1.338 15.024 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.243 17.070 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.058 17.351 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.017 17.192 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.366 14.857 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.145 14.887 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.269 13.527 -2.707 1.00 0.00 H new ATOM 879 N TRP A 52 4.489 13.037 -1.720 1.00 0.00 N ATOM 880 CA TRP A 52 4.782 11.616 -1.863 1.00 0.00 C ATOM 881 C TRP A 52 5.923 11.200 -0.942 1.00 0.00 C ATOM 882 O TRP A 52 6.097 10.016 -0.649 1.00 0.00 O ATOM 883 CB TRP A 52 5.138 11.291 -3.315 1.00 0.00 C ATOM 884 CG TRP A 52 4.015 11.546 -4.274 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.957 12.521 -5.228 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.787 10.815 -4.369 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.767 12.440 -5.911 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.032 11.402 -5.403 1.00 0.00 C ATOM 889 CE3 TRP A 52 2.253 9.721 -3.682 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.773 10.930 -5.764 1.00 0.00 C ATOM 891 CZ3 TRP A 52 1.003 9.255 -4.041 1.00 0.00 C ATOM 892 CH2 TRP A 52 0.274 9.858 -5.075 1.00 0.00 C ATOM 0 H TRP A 52 4.946 13.633 -2.410 1.00 0.00 H new ATOM 0 HA TRP A 52 3.890 11.057 -1.581 1.00 0.00 H new ATOM 0 HB2 TRP A 52 6.002 11.886 -3.612 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.434 10.244 -3.383 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.732 13.249 -5.418 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.478 13.054 -6.673 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.808 9.249 -2.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.210 11.394 -6.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.580 8.411 -3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.700 9.469 -5.333 1.00 0.00 H new ATOM 903 N PHE A 53 6.697 12.179 -0.486 1.00 0.00 N ATOM 904 CA PHE A 53 7.823 11.913 0.402 1.00 0.00 C ATOM 905 C PHE A 53 7.357 11.209 1.674 1.00 0.00 C ATOM 906 O PHE A 53 8.153 10.594 2.384 1.00 0.00 O ATOM 907 CB PHE A 53 8.536 13.218 0.760 1.00 0.00 C ATOM 908 CG PHE A 53 9.682 13.033 1.714 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.680 12.109 1.447 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.762 13.783 2.876 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.735 11.936 2.323 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.815 13.615 3.755 1.00 0.00 C ATOM 913 CZ PHE A 53 11.803 12.691 3.478 1.00 0.00 C ATOM 0 H PHE A 53 6.565 13.164 -0.717 1.00 0.00 H new ATOM 0 HA PHE A 53 8.520 11.258 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.906 13.683 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.815 13.908 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.633 11.518 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.992 14.508 3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.505 11.211 2.105 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.865 14.206 4.658 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.627 12.559 4.163 1.00 0.00 H new ATOM 923 N LYS A 54 6.062 11.305 1.955 1.00 0.00 N ATOM 924 CA LYS A 54 5.488 10.678 3.140 1.00 0.00 C ATOM 925 C LYS A 54 5.069 9.241 2.846 1.00 0.00 C ATOM 926 O LYS A 54 4.849 8.449 3.761 1.00 0.00 O ATOM 927 CB LYS A 54 4.283 11.481 3.634 1.00 0.00 C ATOM 928 CG LYS A 54 4.211 11.601 5.146 1.00 0.00 C ATOM 929 CD LYS A 54 2.803 11.347 5.659 1.00 0.00 C ATOM 930 CE LYS A 54 2.742 11.418 7.178 1.00 0.00 C ATOM 931 NZ LYS A 54 3.275 12.709 7.694 1.00 0.00 N ATOM 0 H LYS A 54 5.390 11.811 1.378 1.00 0.00 H new ATOM 0 HA LYS A 54 6.251 10.663 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.320 12.480 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.370 11.010 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.899 10.889 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.536 12.597 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.121 12.082 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.465 10.366 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.710 11.294 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.313 10.593 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.019 12.814 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.310 12.720 7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.868 13.495 7.149 1.00 0.00 H new ATOM 945 N ASN A 55 4.962 8.911 1.563 1.00 0.00 N ATOM 946 CA ASN A 55 4.570 7.569 1.149 1.00 0.00 C ATOM 947 C ASN A 55 5.218 6.514 2.040 1.00 0.00 C ATOM 948 O ASN A 55 4.544 5.862 2.837 1.00 0.00 O ATOM 949 CB ASN A 55 4.959 7.329 -0.311 1.00 0.00 C ATOM 950 CG ASN A 55 4.678 5.908 -0.759 1.00 0.00 C ATOM 951 OD1 ASN A 55 3.562 5.582 -1.164 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.692 5.053 -0.687 1.00 0.00 N ATOM 0 H ASN A 55 5.141 9.555 0.792 1.00 0.00 H new ATOM 0 HA ASN A 55 3.488 7.487 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.411 8.023 -0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.019 7.545 -0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.562 4.083 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.600 5.367 -0.345 1.00 0.00 H new ATOM 959 N ARG A 56 6.530 6.352 1.898 1.00 0.00 N ATOM 960 CA ARG A 56 7.269 5.376 2.689 1.00 0.00 C ATOM 961 C ARG A 56 7.694 5.972 4.028 1.00 0.00 C ATOM 962 O ARG A 56 7.638 5.304 5.061 1.00 0.00 O ATOM 963 CB ARG A 56 8.500 4.892 1.920 1.00 0.00 C ATOM 964 CG ARG A 56 8.937 3.485 2.294 1.00 0.00 C ATOM 965 CD ARG A 56 10.351 3.471 2.853 1.00 0.00 C ATOM 966 NE ARG A 56 10.589 2.313 3.711 1.00 0.00 N ATOM 967 CZ ARG A 56 10.149 2.223 4.962 1.00 0.00 C ATOM 968 NH1 ARG A 56 9.452 3.216 5.497 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.406 1.137 5.679 1.00 0.00 N ATOM 0 H ARG A 56 7.102 6.884 1.243 1.00 0.00 H new ATOM 0 HA ARG A 56 6.612 4.528 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.287 4.925 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.325 5.580 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.249 3.073 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.885 2.841 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.066 3.466 2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.525 4.385 3.421 1.00 0.00 H new ATOM 0 HE ARG A 56 11.122 1.531 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.252 4.052 4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.116 3.144 6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.941 0.371 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.068 1.068 6.639 1.00 0.00 H new ATOM 983 N ARG A 57 8.119 7.231 4.002 1.00 0.00 N ATOM 984 CA ARG A 57 8.555 7.915 5.213 1.00 0.00 C ATOM 985 C ARG A 57 7.529 7.749 6.331 1.00 0.00 C ATOM 986 O ARG A 57 7.880 7.726 7.510 1.00 0.00 O ATOM 987 CB ARG A 57 8.782 9.401 4.931 1.00 0.00 C ATOM 988 CG ARG A 57 9.129 10.210 6.170 1.00 0.00 C ATOM 989 CD ARG A 57 9.058 11.705 5.897 1.00 0.00 C ATOM 990 NE ARG A 57 8.516 12.443 7.035 1.00 0.00 N ATOM 991 CZ ARG A 57 7.980 13.655 6.936 1.00 0.00 C ATOM 992 NH1 ARG A 57 7.914 14.260 5.759 1.00 0.00 N ATOM 993 NH2 ARG A 57 7.507 14.262 8.017 1.00 0.00 N ATOM 0 H ARG A 57 8.171 7.798 3.156 1.00 0.00 H new ATOM 0 HA ARG A 57 9.494 7.466 5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.586 9.505 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.883 9.817 4.476 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.443 9.953 6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.132 9.948 6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.055 12.079 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.437 11.884 5.019 1.00 0.00 H new ATOM 0 HE ARG A 57 8.551 12.004 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.275 13.795 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.502 15.190 5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.555 13.798 8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.096 15.192 7.941 1.00 0.00 H new ATOM 1007 N ALA A 58 6.261 7.635 5.951 1.00 0.00 N ATOM 1008 CA ALA A 58 5.185 7.470 6.920 1.00 0.00 C ATOM 1009 C ALA A 58 4.957 5.997 7.242 1.00 0.00 C ATOM 1010 O ALA A 58 4.586 5.646 8.362 1.00 0.00 O ATOM 1011 CB ALA A 58 3.903 8.103 6.398 1.00 0.00 C ATOM 0 H ALA A 58 5.954 7.654 4.979 1.00 0.00 H new ATOM 0 HA ALA A 58 5.478 7.975 7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.108 7.972 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.066 9.167 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.615 7.624 5.462 1.00 0.00 H new ATOM 1017 N LYS A 59 5.180 5.139 6.253 1.00 0.00 N ATOM 1018 CA LYS A 59 5.000 3.703 6.430 1.00 0.00 C ATOM 1019 C LYS A 59 5.878 3.180 7.563 1.00 0.00 C ATOM 1020 O LYS A 59 5.606 2.124 8.135 1.00 0.00 O ATOM 1021 CB LYS A 59 5.330 2.962 5.132 1.00 0.00 C ATOM 1022 CG LYS A 59 4.108 2.410 4.419 1.00 0.00 C ATOM 1023 CD LYS A 59 3.209 3.525 3.908 1.00 0.00 C ATOM 1024 CE LYS A 59 1.745 3.113 3.927 1.00 0.00 C ATOM 1025 NZ LYS A 59 0.942 3.875 2.932 1.00 0.00 N ATOM 0 H LYS A 59 5.486 5.413 5.319 1.00 0.00 H new ATOM 0 HA LYS A 59 3.957 3.523 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.857 3.640 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.012 2.141 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.424 1.785 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.546 1.771 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.346 4.415 4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.500 3.792 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.665 2.046 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.335 3.274 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.050 3.565 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.997 4.891 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.317 3.702 1.977 1.00 0.00 H new ATOM 1039 N TYR A 60 6.930 3.925 7.882 1.00 0.00 N ATOM 1040 CA TYR A 60 7.847 3.537 8.946 1.00 0.00 C ATOM 1041 C TYR A 60 7.086 3.180 10.219 1.00 0.00 C ATOM 1042 O TYR A 60 7.536 2.355 11.015 1.00 0.00 O ATOM 1043 CB TYR A 60 8.839 4.666 9.231 1.00 0.00 C ATOM 1044 CG TYR A 60 8.356 5.645 10.278 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.279 6.486 10.026 1.00 0.00 C ATOM 1046 CD2 TYR A 60 8.978 5.731 11.517 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.835 7.383 10.979 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.540 6.623 12.476 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.469 7.447 12.202 1.00 0.00 C ATOM 1050 OH TYR A 60 7.030 8.339 13.154 1.00 0.00 O ATOM 0 H TYR A 60 7.169 4.802 7.418 1.00 0.00 H new ATOM 0 HA TYR A 60 8.396 2.656 8.614 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.785 4.234 9.558 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.039 5.206 8.305 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.780 6.438 9.069 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.819 5.089 11.734 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.997 8.030 10.767 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.034 6.675 13.435 1.00 0.00 H new ATOM 0 HH TYR A 60 7.583 8.257 13.959 1.00 0.00 H new ATOM 1060 N ARG A 61 5.928 3.807 10.404 1.00 0.00 N ATOM 1061 CA ARG A 61 5.103 3.557 11.579 1.00 0.00 C ATOM 1062 C ARG A 61 4.365 2.227 11.453 1.00 0.00 C ATOM 1063 O ARG A 61 4.243 1.478 12.423 1.00 0.00 O ATOM 1064 CB ARG A 61 4.098 4.694 11.774 1.00 0.00 C ATOM 1065 CG ARG A 61 3.619 4.844 13.209 1.00 0.00 C ATOM 1066 CD ARG A 61 4.700 5.438 14.098 1.00 0.00 C ATOM 1067 NE ARG A 61 4.235 5.635 15.468 1.00 0.00 N ATOM 1068 CZ ARG A 61 3.479 6.659 15.847 1.00 0.00 C ATOM 1069 NH1 ARG A 61 3.104 7.574 14.964 1.00 0.00 N ATOM 1070 NH2 ARG A 61 3.096 6.769 17.113 1.00 0.00 N ATOM 0 H ARG A 61 5.541 4.492 9.755 1.00 0.00 H new ATOM 0 HA ARG A 61 5.759 3.508 12.448 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.554 5.630 11.453 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.237 4.521 11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.735 5.481 13.234 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.321 3.870 13.598 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.569 4.780 14.101 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.025 6.393 13.685 1.00 0.00 H new ATOM 0 HE ARG A 61 4.506 4.949 16.172 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.396 7.493 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.523 8.359 15.259 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.382 6.067 17.795 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.515 7.556 17.404 1.00 0.00 H new ATOM 1084 N LEU A 62 3.874 1.941 10.252 1.00 0.00 N ATOM 1085 CA LEU A 62 3.147 0.702 9.999 1.00 0.00 C ATOM 1086 C LEU A 62 4.054 -0.510 10.188 1.00 0.00 C ATOM 1087 O LEU A 62 3.657 -1.503 10.797 1.00 0.00 O ATOM 1088 CB LEU A 62 2.572 0.706 8.581 1.00 0.00 C ATOM 1089 CG LEU A 62 1.338 -0.168 8.355 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.678 -1.635 8.562 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.208 0.256 9.282 1.00 0.00 C ATOM 0 H LEU A 62 3.966 2.550 9.439 1.00 0.00 H new ATOM 0 HA LEU A 62 2.329 0.636 10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.319 1.733 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.353 0.382 7.893 1.00 0.00 H new ATOM 0 HG LEU A 62 1.006 -0.036 7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.788 -2.242 8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.455 -1.931 7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.036 -1.785 9.581 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.662 -0.377 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.530 0.153 10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.054 1.296 9.085 1.00 0.00 H new