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= -1.06 X(o=-1.1,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.64 USER MOD Single : A 25 ASN : amide:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 27 THR OG1 : rot -141:sc= 1.47 USER MOD Single : A 28 GLN : amide:sc= -0.0855 K(o=-0.085,f=-1.9!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 45 GLN : amide:sc= -0.734 K(o=-0.73,f=-3.3!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0627 K(o=-0.063,f=-1.7!) 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 9.321 1.252 -8.399 1.00 0.00 N ATOM 230 CA ARG A 14 10.026 1.542 -7.156 1.00 0.00 C ATOM 231 C ARG A 14 10.283 3.039 -7.014 1.00 0.00 C ATOM 232 O ARG A 14 10.572 3.528 -5.922 1.00 0.00 O ATOM 233 CB ARG A 14 11.352 0.779 -7.108 1.00 0.00 C ATOM 234 CG ARG A 14 12.263 1.066 -8.289 1.00 0.00 C ATOM 235 CD ARG A 14 12.330 -0.118 -9.241 1.00 0.00 C ATOM 236 NE ARG A 14 13.428 -1.023 -8.912 1.00 0.00 N ATOM 237 CZ ARG A 14 14.692 -0.802 -9.258 1.00 0.00 C ATOM 238 NH1 ARG A 14 15.015 0.289 -9.938 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.635 -1.673 -8.922 1.00 0.00 N ATOM 0 HA ARG A 14 9.398 1.218 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.875 1.034 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.145 -0.291 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.902 1.944 -8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.264 1.302 -7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.387 -0.664 -9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.452 0.244 -10.262 1.00 0.00 H new ATOM 0 HE ARG A 14 13.213 -1.871 -8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.293 0.961 -10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.986 0.456 -10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.390 -2.513 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.605 -1.503 -9.188 1.00 0.00 H new ATOM 253 N GLN A 15 10.176 3.761 -8.125 1.00 0.00 N ATOM 254 CA GLN A 15 10.398 5.202 -8.124 1.00 0.00 C ATOM 255 C GLN A 15 9.635 5.870 -6.984 1.00 0.00 C ATOM 256 O GLN A 15 10.205 6.638 -6.210 1.00 0.00 O ATOM 257 CB GLN A 15 9.971 5.807 -9.462 1.00 0.00 C ATOM 258 CG GLN A 15 10.798 5.320 -10.641 1.00 0.00 C ATOM 259 CD GLN A 15 11.945 6.254 -10.974 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.801 6.529 -10.133 1.00 0.00 O ATOM 261 NE2 GLN A 15 11.968 6.746 -12.207 1.00 0.00 N ATOM 0 H GLN A 15 9.937 3.372 -9.037 1.00 0.00 H new ATOM 0 HA GLN A 15 11.463 5.379 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.923 5.569 -9.641 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.045 6.893 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.194 4.329 -10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.154 5.216 -11.514 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.238 6.491 -12.872 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.716 7.379 -12.490 1.00 0.00 H new ATOM 270 N GLN A 16 8.344 5.570 -6.888 1.00 0.00 N ATOM 271 CA GLN A 16 7.503 6.142 -5.843 1.00 0.00 C ATOM 272 C GLN A 16 8.090 5.869 -4.462 1.00 0.00 C ATOM 273 O GLN A 16 7.942 6.675 -3.542 1.00 0.00 O ATOM 274 CB GLN A 16 6.086 5.573 -5.930 1.00 0.00 C ATOM 275 CG GLN A 16 5.432 5.775 -7.287 1.00 0.00 C ATOM 276 CD GLN A 16 4.451 4.672 -7.632 1.00 0.00 C ATOM 277 OE1 GLN A 16 4.558 4.036 -8.681 1.00 0.00 O ATOM 278 NE2 GLN A 16 3.487 4.439 -6.749 1.00 0.00 N ATOM 0 H GLN A 16 7.858 4.935 -7.521 1.00 0.00 H new ATOM 0 HA GLN A 16 7.463 7.221 -5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.117 4.507 -5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.468 6.042 -5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.913 6.734 -7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.204 5.822 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.436 4.990 -5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.798 3.709 -6.927 1.00 0.00 H new ATOM 287 N LEU A 17 8.755 4.727 -4.322 1.00 0.00 N ATOM 288 CA LEU A 17 9.364 4.347 -3.053 1.00 0.00 C ATOM 289 C LEU A 17 10.798 4.857 -2.962 1.00 0.00 C ATOM 290 O LEU A 17 11.419 4.807 -1.901 1.00 0.00 O ATOM 291 CB LEU A 17 9.340 2.826 -2.888 1.00 0.00 C ATOM 292 CG LEU A 17 7.957 2.174 -2.880 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.935 0.958 -3.793 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.559 1.786 -1.463 1.00 0.00 C ATOM 0 H LEU A 17 8.886 4.048 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 17 8.785 4.803 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.924 2.384 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.844 2.574 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 17 7.233 2.897 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.943 0.507 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.176 1.263 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.670 0.231 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.572 1.323 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.286 1.080 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.534 2.677 -0.835 1.00 0.00 H new ATOM 306 N GLU A 18 11.318 5.349 -4.083 1.00 0.00 N ATOM 307 CA GLU A 18 12.679 5.870 -4.128 1.00 0.00 C ATOM 308 C GLU A 18 12.769 7.220 -3.422 1.00 0.00 C ATOM 309 O GLU A 18 13.737 7.498 -2.713 1.00 0.00 O ATOM 310 CB GLU A 18 13.148 6.008 -5.578 1.00 0.00 C ATOM 311 CG GLU A 18 13.455 4.679 -6.248 1.00 0.00 C ATOM 312 CD GLU A 18 14.900 4.256 -6.069 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.798 5.046 -6.426 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.131 3.134 -5.572 1.00 0.00 O ATOM 0 H GLU A 18 10.818 5.397 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 18 13.328 5.165 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.379 6.525 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.040 6.633 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.801 3.910 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.231 4.752 -7.312 1.00 0.00 H new ATOM 321 N ILE A 19 11.755 8.055 -3.623 1.00 0.00 N ATOM 322 CA ILE A 19 11.719 9.375 -3.006 1.00 0.00 C ATOM 323 C ILE A 19 12.139 9.309 -1.541 1.00 0.00 C ATOM 324 O ILE A 19 12.835 10.195 -1.043 1.00 0.00 O ATOM 325 CB ILE A 19 10.315 10.001 -3.098 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.818 9.981 -4.545 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.333 11.423 -2.558 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.628 9.072 -4.762 1.00 0.00 C ATOM 0 H ILE A 19 10.948 7.841 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 19 12.423 10.000 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 19 9.629 9.411 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.550 10.995 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.632 9.662 -5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.334 11.852 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.649 11.412 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.029 12.025 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.329 9.107 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.898 8.050 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.799 9.403 -4.137 1.00 0.00 H new ATOM 340 N LEU A 20 11.714 8.252 -0.857 1.00 0.00 N ATOM 341 CA LEU A 20 12.047 8.069 0.551 1.00 0.00 C ATOM 342 C LEU A 20 13.296 7.206 0.707 1.00 0.00 C ATOM 343 O LEU A 20 14.311 7.658 1.236 1.00 0.00 O ATOM 344 CB LEU A 20 10.874 7.427 1.294 1.00 0.00 C ATOM 345 CG LEU A 20 9.495 7.616 0.661 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.277 9.072 0.281 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.338 6.716 -0.556 1.00 0.00 C ATOM 0 H LEU A 20 11.139 7.509 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 20 12.249 9.050 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.067 6.358 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.846 7.831 2.306 1.00 0.00 H new ATOM 0 HG LEU A 20 8.739 7.336 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.290 9.187 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.345 9.695 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.039 9.379 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.351 6.864 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.102 6.964 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.449 5.674 -0.255 1.00 0.00 H new ATOM 359 N GLU A 21 13.212 5.964 0.242 1.00 0.00 N ATOM 360 CA GLU A 21 14.336 5.039 0.329 1.00 0.00 C ATOM 361 C GLU A 21 15.642 5.732 -0.052 1.00 0.00 C ATOM 362 O GLU A 21 16.715 5.369 0.430 1.00 0.00 O ATOM 363 CB GLU A 21 14.103 3.831 -0.580 1.00 0.00 C ATOM 364 CG GLU A 21 14.499 2.507 0.052 1.00 0.00 C ATOM 365 CD GLU A 21 15.988 2.414 0.326 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.763 2.290 -0.645 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.377 2.465 1.512 1.00 0.00 O ATOM 0 H GLU A 21 12.378 5.575 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 21 14.413 4.698 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.049 3.792 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.668 3.967 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.953 2.377 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.203 1.691 -0.607 1.00 0.00 H new ATOM 374 N THR A 22 15.542 6.732 -0.923 1.00 0.00 N ATOM 375 CA THR A 22 16.713 7.475 -1.371 1.00 0.00 C ATOM 376 C THR A 22 16.957 8.697 -0.493 1.00 0.00 C ATOM 377 O THR A 22 18.068 8.911 -0.004 1.00 0.00 O ATOM 378 CB THR A 22 16.563 7.930 -2.835 1.00 0.00 C ATOM 379 OG1 THR A 22 16.205 6.816 -3.660 1.00 0.00 O ATOM 380 CG2 THR A 22 17.855 8.551 -3.343 1.00 0.00 C ATOM 0 H THR A 22 14.662 7.046 -1.332 1.00 0.00 H new ATOM 0 HA THR A 22 17.565 6.800 -1.294 1.00 0.00 H new ATOM 0 HB THR A 22 15.775 8.682 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.244 6.642 -3.576 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.725 8.865 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.108 9.417 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.659 7.817 -3.284 1.00 0.00 H new ATOM 388 N LEU A 23 15.915 9.497 -0.296 1.00 0.00 N ATOM 389 CA LEU A 23 16.016 10.698 0.525 1.00 0.00 C ATOM 390 C LEU A 23 16.043 10.344 2.008 1.00 0.00 C ATOM 391 O LEU A 23 17.040 10.571 2.694 1.00 0.00 O ATOM 392 CB LEU A 23 14.846 11.639 0.234 1.00 0.00 C ATOM 393 CG LEU A 23 14.983 13.066 0.766 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.991 13.990 0.076 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.781 13.094 2.274 1.00 0.00 C ATOM 0 H LEU A 23 14.990 9.335 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 23 16.950 11.202 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.705 11.687 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.941 11.201 0.655 1.00 0.00 H new ATOM 0 HG LEU A 23 15.990 13.420 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.103 15.001 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.182 13.993 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.976 13.639 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.882 14.117 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.786 12.721 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.531 12.464 2.753 1.00 0.00 H new ATOM 407 N PHE A 24 14.941 9.785 2.497 1.00 0.00 N ATOM 408 CA PHE A 24 14.838 9.397 3.899 1.00 0.00 C ATOM 409 C PHE A 24 16.103 8.680 4.360 1.00 0.00 C ATOM 410 O PHE A 24 16.518 8.809 5.511 1.00 0.00 O ATOM 411 CB PHE A 24 13.620 8.495 4.113 1.00 0.00 C ATOM 412 CG PHE A 24 13.546 7.906 5.492 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.546 8.724 6.611 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.477 6.533 5.671 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.477 8.184 7.881 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.408 5.988 6.939 1.00 0.00 C ATOM 417 CZ PHE A 24 13.409 6.815 8.046 1.00 0.00 C ATOM 0 H PHE A 24 14.107 9.591 1.943 1.00 0.00 H new ATOM 0 HA PHE A 24 14.719 10.303 4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.714 9.070 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.643 7.687 3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.601 9.796 6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 24 13.477 5.882 4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.476 8.833 8.744 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.353 4.917 7.065 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.357 6.391 9.038 1.00 0.00 H new ATOM 427 N ASN A 25 16.712 7.924 3.452 1.00 0.00 N ATOM 428 CA ASN A 25 17.929 7.185 3.765 1.00 0.00 C ATOM 429 C ASN A 25 19.158 8.081 3.637 1.00 0.00 C ATOM 430 O ASN A 25 20.059 8.037 4.473 1.00 0.00 O ATOM 431 CB ASN A 25 18.069 5.975 2.839 1.00 0.00 C ATOM 432 CG ASN A 25 19.092 4.976 3.343 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.107 4.728 2.692 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.828 4.396 4.508 1.00 0.00 N ATOM 0 H ASN A 25 16.382 7.807 2.494 1.00 0.00 H new ATOM 0 HA ASN A 25 17.858 6.839 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.102 5.482 2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.356 6.314 1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.479 3.714 4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.974 4.632 5.013 1.00 0.00 H new ATOM 441 N GLU A 26 19.184 8.893 2.584 1.00 0.00 N ATOM 442 CA GLU A 26 20.301 9.799 2.347 1.00 0.00 C ATOM 443 C GLU A 26 20.577 10.657 3.579 1.00 0.00 C ATOM 444 O GLU A 26 21.724 10.806 4.002 1.00 0.00 O ATOM 445 CB GLU A 26 20.013 10.696 1.142 1.00 0.00 C ATOM 446 CG GLU A 26 21.018 11.822 0.966 1.00 0.00 C ATOM 447 CD GLU A 26 21.055 12.355 -0.453 1.00 0.00 C ATOM 448 OE1 GLU A 26 20.075 12.132 -1.195 1.00 0.00 O ATOM 449 OE2 GLU A 26 22.062 12.995 -0.821 1.00 0.00 O ATOM 0 H GLU A 26 18.445 8.941 1.883 1.00 0.00 H new ATOM 0 HA GLU A 26 21.185 9.197 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.003 10.085 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.016 11.124 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.771 12.635 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.010 11.465 1.242 1.00 0.00 H new ATOM 456 N THR A 27 19.517 11.220 4.150 1.00 0.00 N ATOM 457 CA THR A 27 19.643 12.064 5.331 1.00 0.00 C ATOM 458 C THR A 27 18.275 12.477 5.861 1.00 0.00 C ATOM 459 O THR A 27 17.249 12.195 5.242 1.00 0.00 O ATOM 460 CB THR A 27 20.468 13.330 5.032 1.00 0.00 C ATOM 461 OG1 THR A 27 20.752 14.030 6.249 1.00 0.00 O ATOM 462 CG2 THR A 27 19.722 14.249 4.075 1.00 0.00 C ATOM 0 H THR A 27 18.561 11.106 3.813 1.00 0.00 H new ATOM 0 HA THR A 27 20.159 11.473 6.087 1.00 0.00 H new ATOM 0 HB THR A 27 21.403 13.024 4.563 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.684 14.995 6.095 1.00 0.00 H new ATOM 0 HG21 THR A 27 20.324 15.136 3.879 1.00 0.00 H new ATOM 0 HG22 THR A 27 19.534 13.724 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 27 18.773 14.546 4.521 1.00 0.00 H new ATOM 470 N GLN A 28 18.267 13.146 7.009 1.00 0.00 N ATOM 471 CA GLN A 28 17.023 13.597 7.622 1.00 0.00 C ATOM 472 C GLN A 28 16.838 15.100 7.436 1.00 0.00 C ATOM 473 O GLN A 28 16.431 15.805 8.360 1.00 0.00 O ATOM 474 CB GLN A 28 17.008 13.250 9.111 1.00 0.00 C ATOM 475 CG GLN A 28 16.661 11.798 9.394 1.00 0.00 C ATOM 476 CD GLN A 28 16.176 11.579 10.814 1.00 0.00 C ATOM 477 OE1 GLN A 28 15.762 12.520 11.492 1.00 0.00 O ATOM 478 NE2 GLN A 28 16.224 10.333 11.271 1.00 0.00 N ATOM 0 H GLN A 28 19.108 13.388 7.534 1.00 0.00 H new ATOM 0 HA GLN A 28 16.198 13.084 7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.987 13.470 9.537 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.288 13.892 9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.890 11.470 8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.539 11.177 9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.575 9.584 10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.910 10.125 12.219 1.00 0.00 H new ATOM 487 N TYR A 29 17.140 15.584 6.236 1.00 0.00 N ATOM 488 CA TYR A 29 17.010 17.003 5.930 1.00 0.00 C ATOM 489 C TYR A 29 15.891 17.243 4.921 1.00 0.00 C ATOM 490 O TYR A 29 16.128 17.458 3.732 1.00 0.00 O ATOM 491 CB TYR A 29 18.330 17.552 5.384 1.00 0.00 C ATOM 492 CG TYR A 29 19.510 17.308 6.297 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.393 17.464 7.673 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.743 16.924 5.784 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.469 17.243 8.511 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.824 16.700 6.615 1.00 0.00 C ATOM 497 CZ TYR A 29 21.682 16.861 7.977 1.00 0.00 C ATOM 498 OH TYR A 29 22.757 16.640 8.808 1.00 0.00 O ATOM 0 H TYR A 29 17.476 15.014 5.460 1.00 0.00 H new ATOM 0 HA TYR A 29 16.761 17.526 6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.531 17.096 4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.226 18.624 5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.445 17.763 8.094 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.858 16.798 4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.361 17.369 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.775 16.400 6.200 1.00 0.00 H new ATOM 0 HH TYR A 29 23.535 16.377 8.273 1.00 0.00 H new ATOM 508 N PRO A 30 14.641 17.205 5.405 1.00 0.00 N ATOM 509 CA PRO A 30 13.459 17.417 4.564 1.00 0.00 C ATOM 510 C PRO A 30 13.337 18.860 4.090 1.00 0.00 C ATOM 511 O PRO A 30 12.544 19.635 4.626 1.00 0.00 O ATOM 512 CB PRO A 30 12.295 17.057 5.491 1.00 0.00 C ATOM 513 CG PRO A 30 12.820 17.289 6.866 1.00 0.00 C ATOM 514 CD PRO A 30 14.285 16.953 6.812 1.00 0.00 C ATOM 0 HA PRO A 30 13.495 16.821 3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.422 17.679 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.986 16.021 5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.668 18.324 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.302 16.662 7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.866 17.577 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.470 15.917 7.094 1.00 0.00 H new ATOM 522 N ASP A 31 14.125 19.216 3.081 1.00 0.00 N ATOM 523 CA ASP A 31 14.103 20.567 2.533 1.00 0.00 C ATOM 524 C ASP A 31 13.995 20.535 1.012 1.00 0.00 C ATOM 525 O ASP A 31 14.024 19.467 0.400 1.00 0.00 O ATOM 526 CB ASP A 31 15.361 21.330 2.951 1.00 0.00 C ATOM 527 CG ASP A 31 15.184 22.063 4.267 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.896 21.396 5.283 1.00 0.00 O ATOM 529 OD2 ASP A 31 15.333 23.302 4.280 1.00 0.00 O ATOM 0 H ASP A 31 14.787 18.587 2.626 1.00 0.00 H new ATOM 0 HA ASP A 31 13.227 21.080 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.194 20.632 3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.624 22.046 2.172 1.00 0.00 H new ATOM 534 N VAL A 32 13.868 21.712 0.408 1.00 0.00 N ATOM 535 CA VAL A 32 13.755 21.819 -1.042 1.00 0.00 C ATOM 536 C VAL A 32 14.886 21.070 -1.738 1.00 0.00 C ATOM 537 O VAL A 32 14.662 20.353 -2.714 1.00 0.00 O ATOM 538 CB VAL A 32 13.771 23.290 -1.499 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.471 23.982 -1.117 1.00 0.00 C ATOM 540 CG2 VAL A 32 14.967 24.019 -0.907 1.00 0.00 C ATOM 0 H VAL A 32 13.841 22.605 0.900 1.00 0.00 H new ATOM 0 HA VAL A 32 12.801 21.370 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 32 13.862 23.314 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.501 25.020 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.634 23.473 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.346 23.950 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.962 25.057 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.910 23.987 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.887 23.536 -1.237 1.00 0.00 H new ATOM 550 N PHE A 33 16.102 21.239 -1.229 1.00 0.00 N ATOM 551 CA PHE A 33 17.269 20.579 -1.802 1.00 0.00 C ATOM 552 C PHE A 33 17.059 19.069 -1.874 1.00 0.00 C ATOM 553 O PHE A 33 17.675 18.384 -2.690 1.00 0.00 O ATOM 554 CB PHE A 33 18.517 20.893 -0.974 1.00 0.00 C ATOM 555 CG PHE A 33 19.631 21.502 -1.777 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.654 22.864 -2.031 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.654 20.713 -2.276 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.678 23.427 -2.770 1.00 0.00 C ATOM 559 CE2 PHE A 33 21.681 21.271 -3.015 1.00 0.00 C ATOM 560 CZ PHE A 33 21.693 22.630 -3.261 1.00 0.00 C ATOM 0 H PHE A 33 16.305 21.827 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 33 17.409 20.957 -2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.246 21.575 -0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 33 18.875 19.975 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.864 23.492 -1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 33 20.650 19.650 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.684 24.490 -2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.473 20.645 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.495 23.069 -3.836 1.00 0.00 H new ATOM 570 N ALA A 34 16.185 18.557 -1.014 1.00 0.00 N ATOM 571 CA ALA A 34 15.893 17.130 -0.980 1.00 0.00 C ATOM 572 C ALA A 34 14.800 16.770 -1.980 1.00 0.00 C ATOM 573 O ALA A 34 15.041 16.038 -2.941 1.00 0.00 O ATOM 574 CB ALA A 34 15.486 16.708 0.424 1.00 0.00 C ATOM 0 H ALA A 34 15.667 19.110 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 34 16.798 16.592 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.271 15.640 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.299 16.921 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.596 17.260 0.726 1.00 0.00 H new ATOM 580 N ARG A 35 13.598 17.287 -1.749 1.00 0.00 N ATOM 581 CA ARG A 35 12.468 17.018 -2.629 1.00 0.00 C ATOM 582 C ARG A 35 12.805 17.380 -4.073 1.00 0.00 C ATOM 583 O ARG A 35 12.552 16.602 -4.992 1.00 0.00 O ATOM 584 CB ARG A 35 11.237 17.802 -2.169 1.00 0.00 C ATOM 585 CG ARG A 35 11.491 19.291 -2.003 1.00 0.00 C ATOM 586 CD ARG A 35 10.311 19.988 -1.345 1.00 0.00 C ATOM 587 NE ARG A 35 10.083 21.319 -1.900 1.00 0.00 N ATOM 588 CZ ARG A 35 9.364 22.256 -1.291 1.00 0.00 C ATOM 589 NH1 ARG A 35 8.807 22.008 -0.113 1.00 0.00 N ATOM 590 NH2 ARG A 35 9.202 23.444 -1.859 1.00 0.00 N ATOM 0 H ARG A 35 13.382 17.895 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 35 12.249 15.951 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.434 17.657 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.890 17.393 -1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.387 19.443 -1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.682 19.739 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.414 19.383 -1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.489 20.068 -0.273 1.00 0.00 H new ATOM 0 HE ARG A 35 10.498 21.542 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.930 21.096 0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.256 22.729 0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.630 23.639 -2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.650 24.162 -1.390 1.00 0.00 H new ATOM 604 N GLU A 36 13.376 18.565 -4.262 1.00 0.00 N ATOM 605 CA GLU A 36 13.746 19.030 -5.594 1.00 0.00 C ATOM 606 C GLU A 36 14.723 18.063 -6.255 1.00 0.00 C ATOM 607 O GLU A 36 14.809 17.993 -7.481 1.00 0.00 O ATOM 608 CB GLU A 36 14.366 20.427 -5.516 1.00 0.00 C ATOM 609 CG GLU A 36 14.682 21.028 -6.876 1.00 0.00 C ATOM 610 CD GLU A 36 15.097 22.484 -6.787 1.00 0.00 C ATOM 611 OE1 GLU A 36 16.219 22.752 -6.307 1.00 0.00 O ATOM 612 OE2 GLU A 36 14.301 23.354 -7.197 1.00 0.00 O ATOM 0 H GLU A 36 13.592 19.220 -3.511 1.00 0.00 H new ATOM 0 HA GLU A 36 12.841 19.076 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.683 21.090 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.283 20.377 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.481 20.454 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.806 20.942 -7.520 1.00 0.00 H new ATOM 619 N ARG A 37 15.458 17.320 -5.435 1.00 0.00 N ATOM 620 CA ARG A 37 16.431 16.358 -5.939 1.00 0.00 C ATOM 621 C ARG A 37 15.740 15.083 -6.412 1.00 0.00 C ATOM 622 O ARG A 37 15.793 14.736 -7.592 1.00 0.00 O ATOM 623 CB ARG A 37 17.457 16.023 -4.856 1.00 0.00 C ATOM 624 CG ARG A 37 18.620 15.182 -5.357 1.00 0.00 C ATOM 625 CD ARG A 37 19.173 14.285 -4.261 1.00 0.00 C ATOM 626 NE ARG A 37 20.305 13.488 -4.725 1.00 0.00 N ATOM 627 CZ ARG A 37 21.530 13.976 -4.889 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.779 15.251 -4.628 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.508 13.187 -5.315 1.00 0.00 N ATOM 0 H ARG A 37 15.398 17.366 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 37 16.944 16.809 -6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.845 16.951 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.957 15.491 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.292 14.571 -6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.410 15.836 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.483 14.897 -3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.385 13.622 -3.903 1.00 0.00 H new ATOM 0 HE ARG A 37 20.147 12.502 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.029 15.860 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.720 15.623 -4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.320 12.205 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.448 13.562 -5.441 1.00 0.00 H new ATOM 643 N VAL A 38 15.091 14.388 -5.483 1.00 0.00 N ATOM 644 CA VAL A 38 14.389 13.151 -5.804 1.00 0.00 C ATOM 645 C VAL A 38 13.384 13.367 -6.931 1.00 0.00 C ATOM 646 O VAL A 38 13.010 12.426 -7.630 1.00 0.00 O ATOM 647 CB VAL A 38 13.652 12.588 -4.575 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.631 11.907 -3.631 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.890 13.693 -3.859 1.00 0.00 C ATOM 0 H VAL A 38 15.037 14.661 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 38 15.143 12.433 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 38 12.933 11.842 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.092 11.515 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.128 11.088 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.376 12.629 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.375 13.278 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.588 14.463 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.160 14.131 -4.539 1.00 0.00 H new ATOM 659 N ALA A 39 12.952 14.612 -7.101 1.00 0.00 N ATOM 660 CA ALA A 39 11.993 14.952 -8.144 1.00 0.00 C ATOM 661 C ALA A 39 12.501 14.525 -9.517 1.00 0.00 C ATOM 662 O ALA A 39 11.714 14.209 -10.410 1.00 0.00 O ATOM 663 CB ALA A 39 11.702 16.445 -8.127 1.00 0.00 C ATOM 0 H ALA A 39 13.251 15.402 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 39 11.068 14.411 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.984 16.685 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.288 16.724 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.626 16.998 -8.299 1.00 0.00 H new ATOM 669 N ASP A 40 13.819 14.520 -9.679 1.00 0.00 N ATOM 670 CA ASP A 40 14.432 14.132 -10.944 1.00 0.00 C ATOM 671 C ASP A 40 14.600 12.618 -11.025 1.00 0.00 C ATOM 672 O ASP A 40 14.825 12.066 -12.102 1.00 0.00 O ATOM 673 CB ASP A 40 15.790 14.817 -11.109 1.00 0.00 C ATOM 674 CG ASP A 40 16.248 14.854 -12.554 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.489 15.365 -13.404 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.366 14.372 -12.833 1.00 0.00 O ATOM 0 H ASP A 40 14.484 14.780 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 40 13.772 14.450 -11.751 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.729 15.835 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.533 14.293 -10.509 1.00 0.00 H new ATOM 681 N GLN A 41 14.489 11.953 -9.880 1.00 0.00 N ATOM 682 CA GLN A 41 14.630 10.503 -9.822 1.00 0.00 C ATOM 683 C GLN A 41 13.362 9.812 -10.315 1.00 0.00 C ATOM 684 O GLN A 41 13.416 8.945 -11.187 1.00 0.00 O ATOM 685 CB GLN A 41 14.945 10.057 -8.393 1.00 0.00 C ATOM 686 CG GLN A 41 16.310 10.511 -7.901 1.00 0.00 C ATOM 687 CD GLN A 41 17.425 9.580 -8.335 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.431 8.397 -7.994 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.379 10.111 -9.092 1.00 0.00 N ATOM 0 H GLN A 41 14.302 12.395 -8.980 1.00 0.00 H new ATOM 0 HA GLN A 41 15.455 10.217 -10.475 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.179 10.446 -7.723 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.892 8.970 -8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.512 11.514 -8.276 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.297 10.574 -6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.335 11.096 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.156 9.533 -9.414 1.00 0.00 H new ATOM 698 N ILE A 42 12.224 10.202 -9.750 1.00 0.00 N ATOM 699 CA ILE A 42 10.944 9.621 -10.133 1.00 0.00 C ATOM 700 C ILE A 42 10.295 10.415 -11.262 1.00 0.00 C ATOM 701 O ILE A 42 9.279 10.002 -11.821 1.00 0.00 O ATOM 702 CB ILE A 42 9.973 9.561 -8.939 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.352 10.937 -8.689 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.694 9.066 -7.695 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.285 10.933 -7.618 1.00 0.00 C ATOM 0 H ILE A 42 12.163 10.918 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 42 11.148 8.607 -10.476 1.00 0.00 H new ATOM 0 HB ILE A 42 9.173 8.859 -9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.139 11.635 -8.404 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.920 11.306 -9.619 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.995 9.029 -6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.093 8.068 -7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.512 9.745 -7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.890 11.941 -7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.479 10.260 -7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.716 10.595 -6.676 1.00 0.00 H new ATOM 717 N ARG A 43 10.891 11.556 -11.594 1.00 0.00 N ATOM 718 CA ARG A 43 10.372 12.408 -12.657 1.00 0.00 C ATOM 719 C ARG A 43 9.070 13.079 -12.229 1.00 0.00 C ATOM 720 O ARG A 43 8.038 12.932 -12.885 1.00 0.00 O ATOM 721 CB ARG A 43 10.142 11.590 -13.929 1.00 0.00 C ATOM 722 CG ARG A 43 10.374 12.376 -15.209 1.00 0.00 C ATOM 723 CD ARG A 43 9.519 13.633 -15.253 1.00 0.00 C ATOM 724 NE ARG A 43 9.745 14.406 -16.471 1.00 0.00 N ATOM 725 CZ ARG A 43 10.828 15.146 -16.682 1.00 0.00 C ATOM 726 NH1 ARG A 43 11.779 15.213 -15.760 1.00 0.00 N ATOM 727 NH2 ARG A 43 10.962 15.821 -17.817 1.00 0.00 N ATOM 0 H ARG A 43 11.734 11.911 -11.142 1.00 0.00 H new ATOM 0 HA ARG A 43 11.111 13.183 -12.860 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.805 10.725 -13.919 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.121 11.210 -13.926 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.427 12.648 -15.285 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.144 11.748 -16.070 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.466 13.358 -15.188 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.740 14.253 -14.384 1.00 0.00 H new ATOM 0 HE ARG A 43 9.032 14.376 -17.200 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.680 14.696 -14.887 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.610 15.782 -15.924 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.233 15.772 -18.529 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.794 16.389 -17.978 1.00 0.00 H new ATOM 741 N LEU A 44 9.125 13.816 -11.124 1.00 0.00 N ATOM 742 CA LEU A 44 7.951 14.510 -10.608 1.00 0.00 C ATOM 743 C LEU A 44 8.314 15.912 -10.129 1.00 0.00 C ATOM 744 O LEU A 44 9.488 16.228 -9.939 1.00 0.00 O ATOM 745 CB LEU A 44 7.326 13.712 -9.461 1.00 0.00 C ATOM 746 CG LEU A 44 5.964 14.200 -8.968 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.973 14.269 -10.120 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.440 13.294 -7.864 1.00 0.00 C ATOM 0 H LEU A 44 9.970 13.948 -10.569 1.00 0.00 H new ATOM 0 HA LEU A 44 7.227 14.599 -11.418 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.224 12.675 -9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.019 13.720 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 44 6.085 15.203 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.009 14.618 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.343 14.960 -10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.856 13.278 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.470 13.657 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.335 12.279 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.140 13.296 -7.028 1.00 0.00 H new ATOM 760 N GLN A 45 7.298 16.746 -9.933 1.00 0.00 N ATOM 761 CA GLN A 45 7.510 18.114 -9.475 1.00 0.00 C ATOM 762 C GLN A 45 8.275 18.133 -8.155 1.00 0.00 C ATOM 763 O GLN A 45 8.173 17.203 -7.356 1.00 0.00 O ATOM 764 CB GLN A 45 6.170 18.834 -9.312 1.00 0.00 C ATOM 765 CG GLN A 45 5.941 19.930 -10.339 1.00 0.00 C ATOM 766 CD GLN A 45 6.999 21.014 -10.283 1.00 0.00 C ATOM 767 OE1 GLN A 45 7.479 21.374 -9.207 1.00 0.00 O ATOM 768 NE2 GLN A 45 7.370 21.541 -11.444 1.00 0.00 N ATOM 0 H GLN A 45 6.320 16.498 -10.084 1.00 0.00 H new ATOM 0 HA GLN A 45 8.104 18.634 -10.226 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.363 18.104 -9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.119 19.267 -8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.929 19.491 -11.337 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.960 20.376 -10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.946 21.213 -12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.079 22.274 -11.468 1.00 0.00 H new ATOM 777 N GLU A 46 9.039 19.198 -7.935 1.00 0.00 N ATOM 778 CA GLU A 46 9.822 19.336 -6.713 1.00 0.00 C ATOM 779 C GLU A 46 8.911 19.519 -5.502 1.00 0.00 C ATOM 780 O GLU A 46 9.128 18.914 -4.452 1.00 0.00 O ATOM 781 CB GLU A 46 10.781 20.522 -6.826 1.00 0.00 C ATOM 782 CG GLU A 46 10.087 21.841 -7.121 1.00 0.00 C ATOM 783 CD GLU A 46 11.056 22.931 -7.535 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.753 23.472 -6.651 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.117 23.244 -8.743 1.00 0.00 O ATOM 0 H GLU A 46 9.132 19.977 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 46 10.400 18.422 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.340 20.616 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.506 20.318 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.354 21.692 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.539 22.164 -6.236 1.00 0.00 H new ATOM 792 N SER A 47 7.892 20.357 -5.657 1.00 0.00 N ATOM 793 CA SER A 47 6.950 20.624 -4.575 1.00 0.00 C ATOM 794 C SER A 47 5.898 19.523 -4.488 1.00 0.00 C ATOM 795 O SER A 47 5.291 19.311 -3.438 1.00 0.00 O ATOM 796 CB SER A 47 6.271 21.979 -4.785 1.00 0.00 C ATOM 797 OG SER A 47 4.964 21.984 -4.238 1.00 0.00 O ATOM 0 H SER A 47 7.697 20.863 -6.521 1.00 0.00 H new ATOM 0 HA SER A 47 7.506 20.646 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.867 22.764 -4.319 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.224 22.205 -5.850 1.00 0.00 H new ATOM 0 HG SER A 47 4.552 22.861 -4.384 1.00 0.00 H new ATOM 803 N ARG A 48 5.687 18.825 -5.599 1.00 0.00 N ATOM 804 CA ARG A 48 4.707 17.746 -5.649 1.00 0.00 C ATOM 805 C ARG A 48 5.245 16.491 -4.968 1.00 0.00 C ATOM 806 O ARG A 48 4.540 15.844 -4.193 1.00 0.00 O ATOM 807 CB ARG A 48 4.336 17.433 -7.100 1.00 0.00 C ATOM 808 CG ARG A 48 3.281 16.347 -7.238 1.00 0.00 C ATOM 809 CD ARG A 48 1.936 16.805 -6.696 1.00 0.00 C ATOM 810 NE ARG A 48 0.820 16.181 -7.403 1.00 0.00 N ATOM 811 CZ ARG A 48 -0.449 16.530 -7.224 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.762 17.492 -6.368 1.00 0.00 N ATOM 813 NH2 ARG A 48 -1.408 15.915 -7.905 1.00 0.00 N ATOM 0 H ARG A 48 6.181 18.987 -6.476 1.00 0.00 H new ATOM 0 HA ARG A 48 3.815 18.074 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.973 18.343 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.233 17.127 -7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.177 16.071 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.605 15.454 -6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.872 16.565 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.860 17.889 -6.783 1.00 0.00 H new ATOM 0 HE ARG A 48 1.027 15.437 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.027 17.967 -5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.738 17.757 -6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.170 15.175 -8.565 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.383 16.183 -7.768 1.00 0.00 H new ATOM 827 N ILE A 49 6.496 16.154 -5.263 1.00 0.00 N ATOM 828 CA ILE A 49 7.127 14.978 -4.679 1.00 0.00 C ATOM 829 C ILE A 49 7.081 15.028 -3.155 1.00 0.00 C ATOM 830 O ILE A 49 7.175 13.999 -2.488 1.00 0.00 O ATOM 831 CB ILE A 49 8.593 14.842 -5.132 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.964 13.366 -5.296 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.521 15.519 -4.135 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.347 13.151 -5.869 1.00 0.00 C ATOM 0 H ILE A 49 7.092 16.679 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 49 6.565 14.112 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 49 8.707 15.336 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.901 12.874 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.232 12.886 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.553 15.414 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.269 16.577 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.407 15.052 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.542 12.082 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.409 13.614 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.088 13.602 -5.209 1.00 0.00 H new ATOM 846 N GLN A 50 6.934 16.233 -2.613 1.00 0.00 N ATOM 847 CA GLN A 50 6.873 16.417 -1.168 1.00 0.00 C ATOM 848 C GLN A 50 5.746 15.589 -0.560 1.00 0.00 C ATOM 849 O GLN A 50 5.923 14.943 0.473 1.00 0.00 O ATOM 850 CB GLN A 50 6.676 17.895 -0.828 1.00 0.00 C ATOM 851 CG GLN A 50 7.647 18.413 0.221 1.00 0.00 C ATOM 852 CD GLN A 50 7.040 18.449 1.610 1.00 0.00 C ATOM 853 OE1 GLN A 50 6.125 19.227 1.880 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.548 17.604 2.499 1.00 0.00 N ATOM 0 H GLN A 50 6.855 17.095 -3.152 1.00 0.00 H new ATOM 0 HA GLN A 50 7.818 16.077 -0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.787 18.486 -1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.656 18.045 -0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.535 17.781 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.973 19.416 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.306 16.977 2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.180 17.582 3.450 1.00 0.00 H new ATOM 863 N VAL A 51 4.586 15.612 -1.208 1.00 0.00 N ATOM 864 CA VAL A 51 3.429 14.863 -0.731 1.00 0.00 C ATOM 865 C VAL A 51 3.681 13.361 -0.798 1.00 0.00 C ATOM 866 O VAL A 51 3.150 12.596 0.006 1.00 0.00 O ATOM 867 CB VAL A 51 2.168 15.198 -1.550 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.025 16.703 -1.719 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.210 14.503 -2.902 1.00 0.00 C ATOM 0 H VAL A 51 4.422 16.141 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 51 3.268 15.155 0.307 1.00 0.00 H new ATOM 0 HB VAL A 51 1.296 14.833 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.129 16.920 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.945 17.173 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.899 17.095 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.311 14.751 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.089 14.835 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.260 13.424 -2.755 1.00 0.00 H new ATOM 879 N TRP A 52 4.495 12.947 -1.762 1.00 0.00 N ATOM 880 CA TRP A 52 4.818 11.535 -1.934 1.00 0.00 C ATOM 881 C TRP A 52 5.947 11.117 -0.999 1.00 0.00 C ATOM 882 O TRP A 52 6.134 9.931 -0.726 1.00 0.00 O ATOM 883 CB TRP A 52 5.212 11.254 -3.385 1.00 0.00 C ATOM 884 CG TRP A 52 4.090 10.695 -4.207 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.700 9.388 -4.281 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.215 11.426 -5.073 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.635 9.263 -5.141 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.318 10.499 -5.639 1.00 0.00 C ATOM 889 CE3 TRP A 52 3.101 12.774 -5.425 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.323 10.878 -6.536 1.00 0.00 C ATOM 891 CZ3 TRP A 52 2.113 13.149 -6.315 1.00 0.00 C ATOM 892 CH2 TRP A 52 1.235 12.204 -6.862 1.00 0.00 C ATOM 0 H TRP A 52 4.943 13.568 -2.436 1.00 0.00 H new ATOM 0 HA TRP A 52 3.931 10.952 -1.686 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.564 12.178 -3.844 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.047 10.553 -3.398 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.161 8.573 -3.743 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.158 8.391 -5.371 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.773 13.509 -5.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.645 10.152 -6.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.016 14.188 -6.594 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.473 12.529 -7.555 1.00 0.00 H new ATOM 903 N PHE A 53 6.698 12.098 -0.509 1.00 0.00 N ATOM 904 CA PHE A 53 7.810 11.831 0.396 1.00 0.00 C ATOM 905 C PHE A 53 7.329 11.105 1.649 1.00 0.00 C ATOM 906 O PHE A 53 8.118 10.492 2.368 1.00 0.00 O ATOM 907 CB PHE A 53 8.504 13.138 0.785 1.00 0.00 C ATOM 908 CG PHE A 53 9.610 12.955 1.785 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.684 12.127 1.505 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.575 13.612 3.005 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.703 11.956 2.423 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.591 13.445 3.927 1.00 0.00 C ATOM 913 CZ PHE A 53 11.657 12.617 3.635 1.00 0.00 C ATOM 0 H PHE A 53 6.557 13.085 -0.723 1.00 0.00 H new ATOM 0 HA PHE A 53 8.523 11.190 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.910 13.606 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.764 13.825 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.726 11.609 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.744 14.262 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.534 11.306 2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.551 13.961 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.453 12.487 4.353 1.00 0.00 H new ATOM 923 N LYS A 54 6.027 11.179 1.905 1.00 0.00 N ATOM 924 CA LYS A 54 5.438 10.529 3.070 1.00 0.00 C ATOM 925 C LYS A 54 5.070 9.082 2.758 1.00 0.00 C ATOM 926 O LYS A 54 4.847 8.280 3.663 1.00 0.00 O ATOM 927 CB LYS A 54 4.195 11.294 3.532 1.00 0.00 C ATOM 928 CG LYS A 54 4.181 11.587 5.023 1.00 0.00 C ATOM 929 CD LYS A 54 2.781 11.463 5.601 1.00 0.00 C ATOM 930 CE LYS A 54 2.137 12.827 5.797 1.00 0.00 C ATOM 931 NZ LYS A 54 1.852 13.498 4.499 1.00 0.00 N ATOM 0 H LYS A 54 5.359 11.683 1.321 1.00 0.00 H new ATOM 0 HA LYS A 54 6.178 10.533 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.133 12.235 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.307 10.717 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.850 10.897 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.562 12.593 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.163 10.860 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.825 10.940 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.210 12.713 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.796 13.457 6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.414 14.424 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.740 13.630 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.203 12.909 3.939 1.00 0.00 H new ATOM 945 N ASN A 55 5.010 8.756 1.471 1.00 0.00 N ATOM 946 CA ASN A 55 4.671 7.405 1.040 1.00 0.00 C ATOM 947 C ASN A 55 5.321 6.365 1.948 1.00 0.00 C ATOM 948 O ASN A 55 4.642 5.691 2.723 1.00 0.00 O ATOM 949 CB ASN A 55 5.113 7.182 -0.408 1.00 0.00 C ATOM 950 CG ASN A 55 5.213 5.711 -0.762 1.00 0.00 C ATOM 951 OD1 ASN A 55 4.480 4.881 -0.224 1.00 0.00 O ATOM 952 ND2 ASN A 55 6.122 5.382 -1.672 1.00 0.00 N ATOM 0 H ASN A 55 5.192 9.409 0.709 1.00 0.00 H new ATOM 0 HA ASN A 55 3.589 7.292 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.405 7.667 -1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.081 7.658 -0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.234 4.407 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.708 6.104 -2.092 1.00 0.00 H new ATOM 959 N ARG A 56 6.640 6.240 1.845 1.00 0.00 N ATOM 960 CA ARG A 56 7.382 5.282 2.656 1.00 0.00 C ATOM 961 C ARG A 56 7.751 5.885 4.008 1.00 0.00 C ATOM 962 O ARG A 56 7.684 5.213 5.038 1.00 0.00 O ATOM 963 CB ARG A 56 8.648 4.833 1.923 1.00 0.00 C ATOM 964 CG ARG A 56 9.120 3.444 2.317 1.00 0.00 C ATOM 965 CD ARG A 56 10.541 3.470 2.857 1.00 0.00 C ATOM 966 NE ARG A 56 10.887 2.232 3.549 1.00 0.00 N ATOM 967 CZ ARG A 56 10.514 1.957 4.794 1.00 0.00 C ATOM 968 NH1 ARG A 56 9.787 2.828 5.479 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.868 0.808 5.356 1.00 0.00 N ATOM 0 H ARG A 56 7.217 6.790 1.208 1.00 0.00 H new ATOM 0 HA ARG A 56 6.742 4.416 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.462 4.853 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.446 5.549 2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.450 3.032 3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.071 2.783 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.238 3.633 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.653 4.311 3.541 1.00 0.00 H new ATOM 0 HE ARG A 56 11.446 1.540 3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.513 3.712 5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.502 2.614 6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.427 0.135 4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.581 0.598 6.312 1.00 0.00 H new ATOM 983 N ARG A 57 8.142 7.155 3.997 1.00 0.00 N ATOM 984 CA ARG A 57 8.523 7.848 5.222 1.00 0.00 C ATOM 985 C ARG A 57 7.466 7.659 6.305 1.00 0.00 C ATOM 986 O ARG A 57 7.777 7.652 7.496 1.00 0.00 O ATOM 987 CB ARG A 57 8.726 9.339 4.947 1.00 0.00 C ATOM 988 CG ARG A 57 8.985 10.160 6.201 1.00 0.00 C ATOM 989 CD ARG A 57 10.241 9.695 6.921 1.00 0.00 C ATOM 990 NE ARG A 57 10.472 10.442 8.155 1.00 0.00 N ATOM 991 CZ ARG A 57 10.943 11.683 8.185 1.00 0.00 C ATOM 992 NH1 ARG A 57 11.231 12.315 7.055 1.00 0.00 N ATOM 993 NH2 ARG A 57 11.126 12.296 9.348 1.00 0.00 N ATOM 0 H ARG A 57 8.203 7.725 3.153 1.00 0.00 H new ATOM 0 HA ARG A 57 9.461 7.419 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.565 9.463 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.843 9.730 4.443 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.086 11.212 5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.129 10.082 6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.155 8.633 7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.101 9.810 6.261 1.00 0.00 H new ATOM 0 HE ARG A 57 10.260 9.985 9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.091 11.848 6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.593 13.268 7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.905 11.814 10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.488 13.249 9.371 1.00 0.00 H new ATOM 1007 N ALA A 58 6.215 7.506 5.884 1.00 0.00 N ATOM 1008 CA ALA A 58 5.112 7.315 6.818 1.00 0.00 C ATOM 1009 C ALA A 58 4.909 5.837 7.133 1.00 0.00 C ATOM 1010 O ALA A 58 4.508 5.476 8.239 1.00 0.00 O ATOM 1011 CB ALA A 58 3.833 7.917 6.255 1.00 0.00 C ATOM 0 H ALA A 58 5.940 7.511 4.902 1.00 0.00 H new ATOM 0 HA ALA A 58 5.363 7.827 7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.018 7.767 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.976 8.984 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.587 7.431 5.311 1.00 0.00 H new ATOM 1017 N LYS A 59 5.187 4.984 6.152 1.00 0.00 N ATOM 1018 CA LYS A 59 5.036 3.544 6.324 1.00 0.00 C ATOM 1019 C LYS A 59 5.887 3.042 7.486 1.00 0.00 C ATOM 1020 O LYS A 59 5.618 1.983 8.053 1.00 0.00 O ATOM 1021 CB LYS A 59 5.427 2.813 5.038 1.00 0.00 C ATOM 1022 CG LYS A 59 4.247 2.207 4.299 1.00 0.00 C ATOM 1023 CD LYS A 59 3.304 3.279 3.780 1.00 0.00 C ATOM 1024 CE LYS A 59 1.859 2.802 3.788 1.00 0.00 C ATOM 1025 NZ LYS A 59 0.902 3.930 3.615 1.00 0.00 N ATOM 0 H LYS A 59 5.518 5.266 5.229 1.00 0.00 H new ATOM 0 HA LYS A 59 3.989 3.338 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.940 3.510 4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.137 2.023 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.609 1.605 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.705 1.536 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.396 4.175 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.591 3.557 2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.712 2.075 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.651 2.290 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.071 3.564 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.025 4.611 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.084 4.403 2.707 1.00 0.00 H new ATOM 1039 N TYR A 60 6.913 3.809 7.836 1.00 0.00 N ATOM 1040 CA TYR A 60 7.804 3.442 8.930 1.00 0.00 C ATOM 1041 C TYR A 60 7.013 3.146 10.201 1.00 0.00 C ATOM 1042 O TYR A 60 7.452 2.373 11.053 1.00 0.00 O ATOM 1043 CB TYR A 60 8.812 4.561 9.193 1.00 0.00 C ATOM 1044 CG TYR A 60 8.369 5.538 10.259 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.295 6.392 10.042 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.024 5.607 11.482 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.886 7.287 11.012 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.621 6.497 12.459 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.552 7.335 12.219 1.00 0.00 C ATOM 1050 OH TYR A 60 7.149 8.224 13.189 1.00 0.00 O ATOM 0 H TYR A 60 7.149 4.689 7.378 1.00 0.00 H new ATOM 0 HA TYR A 60 8.341 2.539 8.639 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.763 4.119 9.490 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.989 5.105 8.265 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.771 6.356 9.099 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.863 4.954 11.672 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.050 7.945 10.826 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.140 6.536 13.405 1.00 0.00 H new ATOM 0 HH TYR A 60 7.722 8.129 13.978 1.00 0.00 H new ATOM 1060 N ARG A 61 5.843 3.766 10.319 1.00 0.00 N ATOM 1061 CA ARG A 61 4.990 3.570 11.485 1.00 0.00 C ATOM 1062 C ARG A 61 4.220 2.257 11.381 1.00 0.00 C ATOM 1063 O ARG A 61 3.941 1.607 12.390 1.00 0.00 O ATOM 1064 CB ARG A 61 4.011 4.737 11.629 1.00 0.00 C ATOM 1065 CG ARG A 61 2.878 4.710 10.616 1.00 0.00 C ATOM 1066 CD ARG A 61 2.440 6.115 10.233 1.00 0.00 C ATOM 1067 NE ARG A 61 1.545 6.700 11.228 1.00 0.00 N ATOM 1068 CZ ARG A 61 1.259 7.996 11.287 1.00 0.00 C ATOM 1069 NH1 ARG A 61 1.794 8.837 10.412 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.435 8.453 12.221 1.00 0.00 N ATOM 0 H ARG A 61 5.465 4.408 9.622 1.00 0.00 H new ATOM 0 HA ARG A 61 5.628 3.528 12.368 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.589 4.724 12.634 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.558 5.674 11.525 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.199 4.172 9.724 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.031 4.164 11.031 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.319 6.750 10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.938 6.087 9.266 1.00 0.00 H new ATOM 0 HE ARG A 61 1.116 6.080 11.915 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.427 8.489 9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.573 9.832 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.020 7.809 12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.216 9.448 12.265 1.00 0.00 H new ATOM 1084 N LEU A 62 3.880 1.872 10.156 1.00 0.00 N ATOM 1085 CA LEU A 62 3.142 0.636 9.920 1.00 0.00 C ATOM 1086 C LEU A 62 4.010 -0.582 10.215 1.00 0.00 C ATOM 1087 O LEU A 62 3.571 -1.523 10.876 1.00 0.00 O ATOM 1088 CB LEU A 62 2.645 0.584 8.474 1.00 0.00 C ATOM 1089 CG LEU A 62 1.421 -0.295 8.216 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.754 -1.759 8.457 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.257 0.141 9.094 1.00 0.00 C ATOM 0 H LEU A 62 4.103 2.398 9.311 1.00 0.00 H new ATOM 0 HA LEU A 62 2.285 0.620 10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.412 1.600 8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.461 0.231 7.843 1.00 0.00 H new ATOM 0 HG LEU A 62 1.127 -0.178 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.871 -2.369 8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.556 -2.065 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.074 -1.894 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.606 -0.496 8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.540 0.054 10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.002 1.177 8.872 1.00 0.00 H new