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= -1.41 X(o=-1.4,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= -0.395 K(o=-0.39,f=-5.5!) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.896 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.5!) 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= -0.0178 X(o=-0.018,f=-0.22) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.027) 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 9.424 1.248 -8.341 1.00 0.00 N ATOM 230 CA ARG A 14 10.324 1.506 -7.223 1.00 0.00 C ATOM 231 C ARG A 14 10.565 3.003 -7.053 1.00 0.00 C ATOM 232 O ARG A 14 10.980 3.457 -5.987 1.00 0.00 O ATOM 233 CB ARG A 14 11.657 0.786 -7.436 1.00 0.00 C ATOM 234 CG ARG A 14 12.384 1.212 -8.701 1.00 0.00 C ATOM 235 CD ARG A 14 12.273 0.157 -9.790 1.00 0.00 C ATOM 236 NE ARG A 14 12.265 0.747 -11.126 1.00 0.00 N ATOM 237 CZ ARG A 14 12.035 0.053 -12.235 1.00 0.00 C ATOM 238 NH1 ARG A 14 11.794 -1.249 -12.168 1.00 0.00 N ATOM 239 NH2 ARG A 14 12.045 0.662 -13.414 1.00 0.00 N ATOM 0 HA ARG A 14 9.854 1.125 -6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.302 0.971 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.478 -0.288 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.969 2.153 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.435 1.393 -8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.107 -0.539 -9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.360 -0.420 -9.643 1.00 0.00 H new ATOM 0 HE ARG A 14 12.446 1.747 -11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.785 -1.720 -11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.618 -1.780 -13.021 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.229 1.664 -13.469 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.868 0.128 -14.265 1.00 0.00 H new ATOM 253 N GLN A 15 10.301 3.764 -8.111 1.00 0.00 N ATOM 254 CA GLN A 15 10.490 5.209 -8.078 1.00 0.00 C ATOM 255 C GLN A 15 9.698 5.836 -6.936 1.00 0.00 C ATOM 256 O GLN A 15 10.238 6.609 -6.145 1.00 0.00 O ATOM 257 CB GLN A 15 10.066 5.830 -9.410 1.00 0.00 C ATOM 258 CG GLN A 15 10.823 5.278 -10.607 1.00 0.00 C ATOM 259 CD GLN A 15 11.997 6.150 -11.008 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.004 6.745 -12.086 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.999 6.230 -10.140 1.00 0.00 N ATOM 0 H GLN A 15 9.956 3.404 -9.001 1.00 0.00 H new ATOM 0 HA GLN A 15 11.549 5.408 -7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.999 5.662 -9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.215 6.909 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.183 4.276 -10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.140 5.183 -11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.952 5.720 -9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.816 6.801 -10.355 1.00 0.00 H new ATOM 270 N GLN A 16 8.415 5.499 -6.857 1.00 0.00 N ATOM 271 CA GLN A 16 7.549 6.030 -5.811 1.00 0.00 C ATOM 272 C GLN A 16 8.139 5.768 -4.430 1.00 0.00 C ATOM 273 O GLN A 16 7.988 6.579 -3.515 1.00 0.00 O ATOM 274 CB GLN A 16 6.155 5.408 -5.910 1.00 0.00 C ATOM 275 CG GLN A 16 5.416 5.771 -7.188 1.00 0.00 C ATOM 276 CD GLN A 16 5.745 4.838 -8.337 1.00 0.00 C ATOM 277 OE1 GLN A 16 6.773 4.987 -8.998 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.872 3.868 -8.581 1.00 0.00 N ATOM 0 H GLN A 16 7.952 4.861 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 16 7.469 7.108 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.245 4.324 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.562 5.728 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.342 5.747 -7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.668 6.793 -7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.033 3.781 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.041 3.209 -9.341 1.00 0.00 H new ATOM 287 N LEU A 17 8.811 4.631 -4.285 1.00 0.00 N ATOM 288 CA LEU A 17 9.424 4.261 -3.014 1.00 0.00 C ATOM 289 C LEU A 17 10.849 4.798 -2.920 1.00 0.00 C ATOM 290 O LEU A 17 11.461 4.776 -1.854 1.00 0.00 O ATOM 291 CB LEU A 17 9.428 2.741 -2.851 1.00 0.00 C ATOM 292 CG LEU A 17 8.056 2.071 -2.766 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.995 0.861 -3.685 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.748 1.669 -1.331 1.00 0.00 C ATOM 0 H LEU A 17 8.945 3.949 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 17 8.835 4.705 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.970 2.307 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.987 2.494 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 17 7.302 2.787 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.011 0.397 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.171 1.176 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.759 0.141 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.768 1.194 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.506 0.970 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.749 2.555 -0.697 1.00 0.00 H new ATOM 306 N GLU A 18 11.369 5.282 -4.044 1.00 0.00 N ATOM 307 CA GLU A 18 12.721 5.826 -4.087 1.00 0.00 C ATOM 308 C GLU A 18 12.785 7.180 -3.385 1.00 0.00 C ATOM 309 O GLU A 18 13.738 7.470 -2.660 1.00 0.00 O ATOM 310 CB GLU A 18 13.191 5.968 -5.536 1.00 0.00 C ATOM 311 CG GLU A 18 13.607 4.653 -6.173 1.00 0.00 C ATOM 312 CD GLU A 18 15.113 4.495 -6.255 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.725 4.105 -5.239 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.680 4.761 -7.336 1.00 0.00 O ATOM 0 H GLU A 18 10.875 5.308 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 18 13.381 5.133 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.389 6.411 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.032 6.660 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.190 3.827 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.184 4.589 -7.175 1.00 0.00 H new ATOM 321 N ILE A 19 11.767 8.004 -3.607 1.00 0.00 N ATOM 322 CA ILE A 19 11.707 9.326 -2.996 1.00 0.00 C ATOM 323 C ILE A 19 12.102 9.269 -1.524 1.00 0.00 C ATOM 324 O ILE A 19 12.784 10.162 -1.018 1.00 0.00 O ATOM 325 CB ILE A 19 10.299 9.938 -3.115 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.826 9.905 -4.569 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.295 11.363 -2.583 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.630 9.008 -4.796 1.00 0.00 C ATOM 0 H ILE A 19 10.972 7.780 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 19 12.414 9.956 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 19 9.609 9.345 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.575 10.918 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.647 9.569 -5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.293 11.782 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.594 11.361 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.995 11.968 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.350 9.034 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.883 7.986 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.794 9.356 -4.190 1.00 0.00 H new ATOM 340 N LEU A 20 11.671 8.214 -0.841 1.00 0.00 N ATOM 341 CA LEU A 20 11.981 8.039 0.573 1.00 0.00 C ATOM 342 C LEU A 20 13.227 7.179 0.755 1.00 0.00 C ATOM 343 O LEU A 20 14.235 7.636 1.294 1.00 0.00 O ATOM 344 CB LEU A 20 10.796 7.401 1.300 1.00 0.00 C ATOM 345 CG LEU A 20 9.429 7.576 0.638 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.209 9.028 0.243 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.304 6.666 -0.576 1.00 0.00 C ATOM 0 H LEU A 20 11.106 7.467 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 20 12.175 9.022 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.992 6.334 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.746 7.817 2.306 1.00 0.00 H new ATOM 0 HG LEU A 20 8.660 7.296 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.231 9.133 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.254 9.658 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.984 9.335 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.325 6.804 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.081 6.914 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.416 5.627 -0.265 1.00 0.00 H new ATOM 359 N GLU A 21 13.151 5.932 0.301 1.00 0.00 N ATOM 360 CA GLU A 21 14.275 5.009 0.413 1.00 0.00 C ATOM 361 C GLU A 21 15.585 5.700 0.045 1.00 0.00 C ATOM 362 O GLU A 21 16.652 5.341 0.546 1.00 0.00 O ATOM 363 CB GLU A 21 14.056 3.793 -0.490 1.00 0.00 C ATOM 364 CG GLU A 21 14.487 2.481 0.143 1.00 0.00 C ATOM 365 CD GLU A 21 15.947 2.483 0.555 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.807 2.753 -0.309 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.228 2.216 1.742 1.00 0.00 O ATOM 0 H GLU A 21 12.324 5.538 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 21 14.338 4.677 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.000 3.731 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.607 3.937 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.867 2.283 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.313 1.668 -0.562 1.00 0.00 H new ATOM 374 N THR A 22 15.498 6.693 -0.834 1.00 0.00 N ATOM 375 CA THR A 22 16.675 7.433 -1.270 1.00 0.00 C ATOM 376 C THR A 22 16.908 8.661 -0.397 1.00 0.00 C ATOM 377 O THR A 22 18.002 8.859 0.134 1.00 0.00 O ATOM 378 CB THR A 22 16.545 7.880 -2.739 1.00 0.00 C ATOM 379 OG1 THR A 22 16.102 6.784 -3.547 1.00 0.00 O ATOM 380 CG2 THR A 22 17.874 8.401 -3.265 1.00 0.00 C ATOM 0 H THR A 22 14.624 7.003 -1.258 1.00 0.00 H new ATOM 0 HA THR A 22 17.525 6.757 -1.176 1.00 0.00 H new ATOM 0 HB THR A 22 15.812 8.686 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.148 6.626 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.758 8.711 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.193 9.254 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.624 7.613 -3.203 1.00 0.00 H new ATOM 388 N LEU A 23 15.874 9.481 -0.250 1.00 0.00 N ATOM 389 CA LEU A 23 15.966 10.690 0.562 1.00 0.00 C ATOM 390 C LEU A 23 15.993 10.348 2.048 1.00 0.00 C ATOM 391 O LEU A 23 16.988 10.587 2.733 1.00 0.00 O ATOM 392 CB LEU A 23 14.788 11.620 0.263 1.00 0.00 C ATOM 393 CG LEU A 23 14.911 13.049 0.791 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.934 13.969 0.074 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.674 13.085 2.294 1.00 0.00 C ATOM 0 H LEU A 23 14.962 9.331 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 23 16.896 11.198 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.651 11.664 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.885 11.176 0.681 1.00 0.00 H new ATOM 0 HG LEU A 23 15.923 13.402 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.036 14.982 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.150 13.967 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.915 13.618 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.766 14.110 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.674 12.712 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.413 12.459 2.794 1.00 0.00 H new ATOM 407 N PHE A 24 14.895 9.784 2.540 1.00 0.00 N ATOM 408 CA PHE A 24 14.794 9.407 3.945 1.00 0.00 C ATOM 409 C PHE A 24 16.066 8.707 4.414 1.00 0.00 C ATOM 410 O PHE A 24 16.502 8.884 5.551 1.00 0.00 O ATOM 411 CB PHE A 24 13.586 8.494 4.164 1.00 0.00 C ATOM 412 CG PHE A 24 13.517 7.913 5.548 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.592 8.732 6.662 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.377 6.547 5.733 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.528 8.201 7.937 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.312 6.010 7.005 1.00 0.00 C ATOM 417 CZ PHE A 24 13.389 6.838 8.108 1.00 0.00 C ATOM 0 H PHE A 24 14.063 9.578 1.987 1.00 0.00 H new ATOM 0 HA PHE A 24 14.665 10.317 4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.674 9.058 3.970 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.619 7.681 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.702 9.799 6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 24 13.318 5.895 4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.587 8.851 8.797 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.201 4.944 7.136 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.341 6.420 9.103 1.00 0.00 H new ATOM 427 N ASN A 25 16.657 7.911 3.528 1.00 0.00 N ATOM 428 CA ASN A 25 17.879 7.183 3.851 1.00 0.00 C ATOM 429 C ASN A 25 19.097 8.098 3.760 1.00 0.00 C ATOM 430 O ASN A 25 19.983 8.054 4.613 1.00 0.00 O ATOM 431 CB ASN A 25 18.051 5.991 2.907 1.00 0.00 C ATOM 432 CG ASN A 25 19.142 5.043 3.367 1.00 0.00 C ATOM 433 OD1 ASN A 25 19.111 4.542 4.491 1.00 0.00 O ATOM 434 ND2 ASN A 25 20.113 4.793 2.497 1.00 0.00 N ATOM 0 H ASN A 25 16.310 7.754 2.582 1.00 0.00 H new ATOM 0 HA ASN A 25 17.796 6.818 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.108 5.449 2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.287 6.354 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.874 4.163 2.750 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.098 5.231 1.576 1.00 0.00 H new ATOM 441 N GLU A 26 19.133 8.926 2.721 1.00 0.00 N ATOM 442 CA GLU A 26 20.242 9.851 2.519 1.00 0.00 C ATOM 443 C GLU A 26 20.479 10.696 3.767 1.00 0.00 C ATOM 444 O GLU A 26 21.614 10.856 4.218 1.00 0.00 O ATOM 445 CB GLU A 26 19.967 10.759 1.319 1.00 0.00 C ATOM 446 CG GLU A 26 21.059 11.786 1.070 1.00 0.00 C ATOM 447 CD GLU A 26 22.429 11.155 0.917 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.604 10.335 -0.009 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.326 11.480 1.722 1.00 0.00 O ATOM 0 H GLU A 26 18.407 8.975 2.006 1.00 0.00 H new ATOM 0 HA GLU A 26 21.139 9.264 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.849 10.143 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.021 11.278 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.821 12.352 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.080 12.496 1.897 1.00 0.00 H new ATOM 456 N THR A 27 19.399 11.238 4.321 1.00 0.00 N ATOM 457 CA THR A 27 19.487 12.069 5.515 1.00 0.00 C ATOM 458 C THR A 27 18.103 12.488 5.998 1.00 0.00 C ATOM 459 O THR A 27 17.097 12.199 5.351 1.00 0.00 O ATOM 460 CB THR A 27 20.332 13.332 5.260 1.00 0.00 C ATOM 461 OG1 THR A 27 20.485 13.542 3.852 1.00 0.00 O ATOM 462 CG2 THR A 27 21.702 13.207 5.911 1.00 0.00 C ATOM 0 H THR A 27 18.452 11.116 3.961 1.00 0.00 H new ATOM 0 HA THR A 27 19.970 11.466 6.284 1.00 0.00 H new ATOM 0 HB THR A 27 19.814 14.184 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.022 14.347 3.698 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.281 14.110 5.717 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.583 13.076 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.225 12.345 5.496 1.00 0.00 H new ATOM 470 N GLN A 28 18.060 13.169 7.139 1.00 0.00 N ATOM 471 CA GLN A 28 16.798 13.627 7.708 1.00 0.00 C ATOM 472 C GLN A 28 16.627 15.130 7.514 1.00 0.00 C ATOM 473 O GLN A 28 16.183 15.836 8.419 1.00 0.00 O ATOM 474 CB GLN A 28 16.731 13.282 9.196 1.00 0.00 C ATOM 475 CG GLN A 28 16.495 11.804 9.468 1.00 0.00 C ATOM 476 CD GLN A 28 16.147 11.526 10.917 1.00 0.00 C ATOM 477 OE1 GLN A 28 14.973 11.463 11.284 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.167 11.358 11.750 1.00 0.00 N ATOM 0 H GLN A 28 18.884 13.416 7.687 1.00 0.00 H new ATOM 0 HA GLN A 28 15.987 13.118 7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.662 13.587 9.673 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.931 13.860 9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.688 11.445 8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.389 11.242 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.124 11.419 11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.993 11.168 12.737 1.00 0.00 H new ATOM 487 N TYR A 29 16.982 15.612 6.328 1.00 0.00 N ATOM 488 CA TYR A 29 16.871 17.032 6.016 1.00 0.00 C ATOM 489 C TYR A 29 15.796 17.275 4.961 1.00 0.00 C ATOM 490 O TYR A 29 16.082 17.475 3.781 1.00 0.00 O ATOM 491 CB TYR A 29 18.214 17.576 5.527 1.00 0.00 C ATOM 492 CG TYR A 29 19.356 17.321 6.485 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.195 17.506 7.852 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.595 16.896 6.022 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.236 17.275 8.732 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.641 16.661 6.894 1.00 0.00 C ATOM 497 CZ TYR A 29 21.456 16.852 8.248 1.00 0.00 C ATOM 498 OH TYR A 29 22.496 16.620 9.119 1.00 0.00 O ATOM 0 H TYR A 29 17.349 15.040 5.567 1.00 0.00 H new ATOM 0 HA TYR A 29 16.585 17.557 6.928 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.451 17.124 4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.123 18.649 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.240 17.836 8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.743 16.747 4.963 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.095 17.425 9.792 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.598 16.330 6.518 1.00 0.00 H new ATOM 0 HH TYR A 29 23.284 16.326 8.616 1.00 0.00 H new ATOM 508 N PRO A 30 14.527 17.260 5.396 1.00 0.00 N ATOM 509 CA PRO A 30 13.383 17.478 4.507 1.00 0.00 C ATOM 510 C PRO A 30 13.299 18.918 4.013 1.00 0.00 C ATOM 511 O PRO A 30 12.493 19.708 4.506 1.00 0.00 O ATOM 512 CB PRO A 30 12.178 17.145 5.390 1.00 0.00 C ATOM 513 CG PRO A 30 12.651 17.385 6.782 1.00 0.00 C ATOM 514 CD PRO A 30 14.112 17.029 6.790 1.00 0.00 C ATOM 0 HA PRO A 30 13.448 16.871 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.323 17.776 5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.860 16.112 5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.501 18.425 7.071 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.096 16.773 7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.674 17.653 7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.272 15.993 7.090 1.00 0.00 H new ATOM 522 N ASP A 31 14.135 19.253 3.036 1.00 0.00 N ATOM 523 CA ASP A 31 14.154 20.599 2.474 1.00 0.00 C ATOM 524 C ASP A 31 14.063 20.553 0.952 1.00 0.00 C ATOM 525 O ASP A 31 14.063 19.478 0.351 1.00 0.00 O ATOM 526 CB ASP A 31 15.425 21.335 2.900 1.00 0.00 C ATOM 527 CG ASP A 31 15.723 21.168 4.377 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.905 21.624 5.202 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.776 20.582 4.708 1.00 0.00 O ATOM 0 H ASP A 31 14.808 18.611 2.617 1.00 0.00 H new ATOM 0 HA ASP A 31 13.287 21.138 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.269 20.964 2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.321 22.396 2.671 1.00 0.00 H new ATOM 534 N VAL A 32 13.985 21.727 0.333 1.00 0.00 N ATOM 535 CA VAL A 32 13.894 21.821 -1.119 1.00 0.00 C ATOM 536 C VAL A 32 15.011 21.032 -1.792 1.00 0.00 C ATOM 537 O VAL A 32 14.780 20.316 -2.767 1.00 0.00 O ATOM 538 CB VAL A 32 13.957 23.286 -1.592 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.675 24.020 -1.231 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.168 23.986 -0.993 1.00 0.00 C ATOM 0 H VAL A 32 13.983 22.626 0.815 1.00 0.00 H new ATOM 0 HA VAL A 32 12.931 21.397 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 32 14.059 23.295 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.738 25.053 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.828 23.530 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.539 24.004 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.198 25.020 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.098 23.967 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.077 23.473 -1.307 1.00 0.00 H new ATOM 550 N PHE A 33 16.224 21.168 -1.266 1.00 0.00 N ATOM 551 CA PHE A 33 17.379 20.468 -1.816 1.00 0.00 C ATOM 552 C PHE A 33 17.128 18.964 -1.870 1.00 0.00 C ATOM 553 O PHE A 33 17.743 18.250 -2.661 1.00 0.00 O ATOM 554 CB PHE A 33 18.625 20.760 -0.978 1.00 0.00 C ATOM 555 CG PHE A 33 19.770 21.312 -1.778 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.634 22.501 -2.477 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.982 20.643 -1.832 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.686 23.011 -3.214 1.00 0.00 C ATOM 559 CE2 PHE A 33 22.037 21.149 -2.567 1.00 0.00 C ATOM 560 CZ PHE A 33 21.889 22.335 -3.259 1.00 0.00 C ATOM 0 H PHE A 33 16.432 21.757 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 33 17.541 20.828 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.366 21.469 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 33 18.945 19.842 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.696 23.035 -2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.104 19.715 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.567 23.938 -3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.977 20.617 -2.600 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.712 22.733 -3.834 1.00 0.00 H new ATOM 570 N ALA A 34 16.222 18.491 -1.021 1.00 0.00 N ATOM 571 CA ALA A 34 15.889 17.072 -0.972 1.00 0.00 C ATOM 572 C ALA A 34 14.797 16.730 -1.980 1.00 0.00 C ATOM 573 O ALA A 34 15.027 15.975 -2.926 1.00 0.00 O ATOM 574 CB ALA A 34 15.454 16.681 0.433 1.00 0.00 C ATOM 0 H ALA A 34 15.705 19.069 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 34 16.782 16.505 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.208 15.619 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.265 16.881 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.577 17.262 0.717 1.00 0.00 H new ATOM 580 N ARG A 35 13.609 17.288 -1.772 1.00 0.00 N ATOM 581 CA ARG A 35 12.482 17.040 -2.663 1.00 0.00 C ATOM 582 C ARG A 35 12.845 17.376 -4.106 1.00 0.00 C ATOM 583 O ARG A 35 12.583 16.595 -5.020 1.00 0.00 O ATOM 584 CB ARG A 35 11.269 17.862 -2.225 1.00 0.00 C ATOM 585 CG ARG A 35 11.561 19.346 -2.073 1.00 0.00 C ATOM 586 CD ARG A 35 10.407 20.076 -1.405 1.00 0.00 C ATOM 587 NE ARG A 35 10.495 20.023 0.051 1.00 0.00 N ATOM 588 CZ ARG A 35 9.875 20.879 0.857 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.125 21.847 0.350 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.004 20.765 2.173 1.00 0.00 N ATOM 0 H ARG A 35 13.402 17.915 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 35 12.233 15.980 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.469 17.731 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.901 17.474 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.468 19.481 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.750 19.783 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.400 21.116 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.464 19.635 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 35 11.063 19.289 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.022 21.936 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.650 22.503 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.579 20.020 2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.528 21.422 2.791 1.00 0.00 H new ATOM 604 N GLU A 36 13.448 18.545 -4.302 1.00 0.00 N ATOM 605 CA GLU A 36 13.845 18.984 -5.635 1.00 0.00 C ATOM 606 C GLU A 36 14.815 17.992 -6.268 1.00 0.00 C ATOM 607 O GLU A 36 14.928 17.912 -7.492 1.00 0.00 O ATOM 608 CB GLU A 36 14.487 20.371 -5.568 1.00 0.00 C ATOM 609 CG GLU A 36 14.809 20.959 -6.932 1.00 0.00 C ATOM 610 CD GLU A 36 14.985 22.465 -6.892 1.00 0.00 C ATOM 611 OE1 GLU A 36 15.906 22.935 -6.192 1.00 0.00 O ATOM 612 OE2 GLU A 36 14.202 23.172 -7.559 1.00 0.00 O ATOM 0 H GLU A 36 13.672 19.204 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 36 12.950 19.035 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.816 21.048 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.404 20.310 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.721 20.501 -7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.009 20.709 -7.629 1.00 0.00 H new ATOM 619 N ARG A 37 15.515 17.238 -5.427 1.00 0.00 N ATOM 620 CA ARG A 37 16.478 16.252 -5.903 1.00 0.00 C ATOM 621 C ARG A 37 15.771 14.980 -6.363 1.00 0.00 C ATOM 622 O ARG A 37 15.827 14.617 -7.538 1.00 0.00 O ATOM 623 CB ARG A 37 17.486 15.919 -4.802 1.00 0.00 C ATOM 624 CG ARG A 37 18.612 15.008 -5.263 1.00 0.00 C ATOM 625 CD ARG A 37 19.082 14.093 -4.143 1.00 0.00 C ATOM 626 NE ARG A 37 20.241 13.296 -4.538 1.00 0.00 N ATOM 627 CZ ARG A 37 21.459 13.801 -4.699 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.676 15.094 -4.500 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.463 13.012 -5.059 1.00 0.00 N ATOM 0 H ARG A 37 15.433 17.291 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 37 17.008 16.680 -6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.913 16.846 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.962 15.444 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.273 14.407 -6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.448 15.611 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.335 14.691 -3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.268 13.429 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 37 20.108 12.298 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.907 15.703 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.612 15.479 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.300 12.017 -5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.398 13.401 -5.182 1.00 0.00 H new ATOM 643 N VAL A 38 15.107 14.308 -5.428 1.00 0.00 N ATOM 644 CA VAL A 38 14.389 13.077 -5.737 1.00 0.00 C ATOM 645 C VAL A 38 13.418 13.283 -6.894 1.00 0.00 C ATOM 646 O VAL A 38 13.068 12.338 -7.600 1.00 0.00 O ATOM 647 CB VAL A 38 13.611 12.559 -4.513 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.553 11.888 -3.526 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.848 13.695 -3.848 1.00 0.00 C ATOM 0 H VAL A 38 15.051 14.595 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 38 15.137 12.337 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 38 12.889 11.816 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.985 11.529 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.049 11.047 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.301 12.607 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.304 13.312 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.550 14.463 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.143 14.125 -4.559 1.00 0.00 H new ATOM 659 N ALA A 39 12.985 14.525 -7.082 1.00 0.00 N ATOM 660 CA ALA A 39 12.055 14.856 -8.154 1.00 0.00 C ATOM 661 C ALA A 39 12.609 14.433 -9.511 1.00 0.00 C ATOM 662 O ALA A 39 11.853 14.120 -10.431 1.00 0.00 O ATOM 663 CB ALA A 39 11.751 16.347 -8.148 1.00 0.00 C ATOM 0 H ALA A 39 13.264 15.319 -6.505 1.00 0.00 H new ATOM 0 HA ALA A 39 11.129 14.307 -7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.055 16.580 -8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.305 16.624 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.675 16.907 -8.293 1.00 0.00 H new ATOM 669 N ASP A 40 13.932 14.426 -9.628 1.00 0.00 N ATOM 670 CA ASP A 40 14.587 14.040 -10.873 1.00 0.00 C ATOM 671 C ASP A 40 14.757 12.526 -10.951 1.00 0.00 C ATOM 672 O ASP A 40 15.006 11.976 -12.023 1.00 0.00 O ATOM 673 CB ASP A 40 15.950 14.726 -10.990 1.00 0.00 C ATOM 674 CG ASP A 40 16.466 14.747 -12.415 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.833 15.406 -13.266 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.504 14.105 -12.679 1.00 0.00 O ATOM 0 H ASP A 40 14.572 14.683 -8.877 1.00 0.00 H new ATOM 0 HA ASP A 40 13.955 14.359 -11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.872 15.748 -10.620 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.669 14.210 -10.354 1.00 0.00 H new ATOM 681 N GLN A 41 14.621 11.861 -9.809 1.00 0.00 N ATOM 682 CA GLN A 41 14.761 10.411 -9.749 1.00 0.00 C ATOM 683 C GLN A 41 13.505 9.720 -10.270 1.00 0.00 C ATOM 684 O GLN A 41 13.577 8.859 -11.147 1.00 0.00 O ATOM 685 CB GLN A 41 15.046 9.963 -8.314 1.00 0.00 C ATOM 686 CG GLN A 41 16.421 10.372 -7.811 1.00 0.00 C ATOM 687 CD GLN A 41 17.524 9.470 -8.329 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.261 8.473 -9.002 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.767 9.815 -8.016 1.00 0.00 N ATOM 0 H GLN A 41 14.414 12.303 -8.913 1.00 0.00 H new ATOM 0 HA GLN A 41 15.600 10.126 -10.384 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.287 10.383 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.955 8.878 -8.256 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.624 11.399 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.425 10.355 -6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.939 10.650 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.550 9.245 -8.336 1.00 0.00 H new ATOM 698 N ILE A 42 12.356 10.104 -9.724 1.00 0.00 N ATOM 699 CA ILE A 42 11.084 9.522 -10.134 1.00 0.00 C ATOM 700 C ILE A 42 10.461 10.313 -11.280 1.00 0.00 C ATOM 701 O ILE A 42 9.430 9.924 -11.828 1.00 0.00 O ATOM 702 CB ILE A 42 10.086 9.466 -8.962 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.458 10.842 -8.733 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.779 8.978 -7.699 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.365 10.841 -7.687 1.00 0.00 C ATOM 0 H ILE A 42 12.280 10.815 -8.997 1.00 0.00 H new ATOM 0 HA ILE A 42 11.296 8.507 -10.469 1.00 0.00 H new ATOM 0 HB ILE A 42 9.293 8.762 -9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.237 11.542 -8.432 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.048 11.207 -9.675 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.061 8.944 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.184 7.980 -7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.590 9.660 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.966 11.849 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.567 10.166 -7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.774 10.507 -6.734 1.00 0.00 H new ATOM 717 N ARG A 43 11.096 11.424 -11.638 1.00 0.00 N ATOM 718 CA ARG A 43 10.605 12.270 -12.719 1.00 0.00 C ATOM 719 C ARG A 43 9.286 12.933 -12.335 1.00 0.00 C ATOM 720 O ARG A 43 8.272 12.762 -13.013 1.00 0.00 O ATOM 721 CB ARG A 43 10.422 11.448 -13.996 1.00 0.00 C ATOM 722 CG ARG A 43 10.324 12.292 -15.256 1.00 0.00 C ATOM 723 CD ARG A 43 11.602 13.080 -15.499 1.00 0.00 C ATOM 724 NE ARG A 43 11.614 13.710 -16.816 1.00 0.00 N ATOM 725 CZ ARG A 43 12.459 14.675 -17.162 1.00 0.00 C ATOM 726 NH1 ARG A 43 13.357 15.117 -16.292 1.00 0.00 N ATOM 727 NH2 ARG A 43 12.408 15.198 -18.380 1.00 0.00 N ATOM 0 H ARG A 43 11.952 11.759 -11.195 1.00 0.00 H new ATOM 0 HA ARG A 43 11.345 13.050 -12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.259 10.757 -14.096 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.520 10.844 -13.903 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.124 11.648 -16.112 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.482 12.979 -15.171 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.708 13.845 -14.730 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.461 12.415 -15.407 1.00 0.00 H new ATOM 0 HE ARG A 43 10.936 13.392 -17.509 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.400 14.716 -15.355 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.005 15.858 -16.560 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.719 14.859 -19.052 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.057 15.939 -18.644 1.00 0.00 H new ATOM 741 N LEU A 44 9.305 13.689 -11.242 1.00 0.00 N ATOM 742 CA LEU A 44 8.110 14.377 -10.767 1.00 0.00 C ATOM 743 C LEU A 44 8.451 15.779 -10.270 1.00 0.00 C ATOM 744 O LEU A 44 9.619 16.108 -10.065 1.00 0.00 O ATOM 745 CB LEU A 44 7.447 13.574 -9.647 1.00 0.00 C ATOM 746 CG LEU A 44 6.024 13.990 -9.274 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.122 13.964 -10.499 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.471 13.085 -8.183 1.00 0.00 C ATOM 0 H LEU A 44 10.135 13.841 -10.669 1.00 0.00 H new ATOM 0 HA LEU A 44 7.415 14.466 -11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.432 12.524 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.071 13.648 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 44 6.053 15.010 -8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.113 14.263 -10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.507 14.655 -11.249 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.099 12.956 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.457 13.397 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.456 12.055 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.103 13.155 -7.298 1.00 0.00 H new ATOM 760 N GLN A 45 7.422 16.598 -10.077 1.00 0.00 N ATOM 761 CA GLN A 45 7.613 17.964 -9.603 1.00 0.00 C ATOM 762 C GLN A 45 8.372 17.980 -8.280 1.00 0.00 C ATOM 763 O GLN A 45 8.345 17.006 -7.527 1.00 0.00 O ATOM 764 CB GLN A 45 6.262 18.663 -9.438 1.00 0.00 C ATOM 765 CG GLN A 45 6.002 19.736 -10.483 1.00 0.00 C ATOM 766 CD GLN A 45 4.571 20.236 -10.461 1.00 0.00 C ATOM 767 OE1 GLN A 45 4.146 20.896 -9.512 1.00 0.00 O ATOM 768 NE2 GLN A 45 3.819 19.925 -11.510 1.00 0.00 N ATOM 0 H GLN A 45 6.449 16.340 -10.241 1.00 0.00 H new ATOM 0 HA GLN A 45 8.203 18.500 -10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.468 17.918 -9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.214 19.113 -8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.678 20.574 -10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.229 19.337 -11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.212 19.376 -12.274 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.848 20.235 -11.551 1.00 0.00 H new ATOM 777 N GLU A 46 9.047 19.091 -8.003 1.00 0.00 N ATOM 778 CA GLU A 46 9.814 19.232 -6.771 1.00 0.00 C ATOM 779 C GLU A 46 8.888 19.432 -5.574 1.00 0.00 C ATOM 780 O GLU A 46 9.148 18.925 -4.483 1.00 0.00 O ATOM 781 CB GLU A 46 10.786 20.408 -6.881 1.00 0.00 C ATOM 782 CG GLU A 46 10.126 21.704 -7.319 1.00 0.00 C ATOM 783 CD GLU A 46 10.809 22.330 -8.519 1.00 0.00 C ATOM 784 OE1 GLU A 46 12.044 22.186 -8.640 1.00 0.00 O ATOM 785 OE2 GLU A 46 10.110 22.964 -9.337 1.00 0.00 O ATOM 0 H GLU A 46 9.078 19.906 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 46 10.382 18.314 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.266 20.563 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.573 20.153 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.081 21.512 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.137 22.411 -6.490 1.00 0.00 H new ATOM 792 N SER A 47 7.808 20.176 -5.788 1.00 0.00 N ATOM 793 CA SER A 47 6.845 20.448 -4.726 1.00 0.00 C ATOM 794 C SER A 47 5.844 19.305 -4.595 1.00 0.00 C ATOM 795 O SER A 47 5.335 19.033 -3.507 1.00 0.00 O ATOM 796 CB SER A 47 6.106 21.759 -5.003 1.00 0.00 C ATOM 797 OG SER A 47 5.535 22.283 -3.816 1.00 0.00 O ATOM 0 H SER A 47 7.577 20.601 -6.686 1.00 0.00 H new ATOM 0 HA SER A 47 7.392 20.538 -3.787 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.797 22.486 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.324 21.590 -5.743 1.00 0.00 H new ATOM 0 HG SER A 47 5.070 23.121 -4.019 1.00 0.00 H new ATOM 803 N ARG A 48 5.566 18.638 -5.711 1.00 0.00 N ATOM 804 CA ARG A 48 4.625 17.525 -5.722 1.00 0.00 C ATOM 805 C ARG A 48 5.208 16.314 -4.999 1.00 0.00 C ATOM 806 O ARG A 48 4.539 15.690 -4.174 1.00 0.00 O ATOM 807 CB ARG A 48 4.264 17.149 -7.160 1.00 0.00 C ATOM 808 CG ARG A 48 3.319 15.962 -7.260 1.00 0.00 C ATOM 809 CD ARG A 48 1.914 16.399 -7.644 1.00 0.00 C ATOM 810 NE ARG A 48 1.293 15.477 -8.590 1.00 0.00 N ATOM 811 CZ ARG A 48 0.046 15.602 -9.028 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.710 16.607 -8.608 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.448 14.722 -9.890 1.00 0.00 N ATOM 0 H ARG A 48 5.979 18.850 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 48 3.722 17.839 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.806 18.010 -7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.179 16.922 -7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.697 15.256 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.290 15.437 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.298 16.468 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.952 17.397 -8.082 1.00 0.00 H new ATOM 0 HE ARG A 48 1.848 14.693 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.334 17.286 -7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.668 16.701 -8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.131 13.948 -10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.406 14.819 -10.226 1.00 0.00 H new ATOM 827 N ILE A 49 6.456 15.987 -5.316 1.00 0.00 N ATOM 828 CA ILE A 49 7.128 14.851 -4.696 1.00 0.00 C ATOM 829 C ILE A 49 7.100 14.958 -3.176 1.00 0.00 C ATOM 830 O ILE A 49 7.234 13.958 -2.471 1.00 0.00 O ATOM 831 CB ILE A 49 8.591 14.738 -5.165 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.970 13.271 -5.377 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.522 15.391 -4.155 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.378 13.079 -5.894 1.00 0.00 C ATOM 0 H ILE A 49 7.022 16.492 -5.998 1.00 0.00 H new ATOM 0 HA ILE A 49 6.586 13.957 -5.004 1.00 0.00 H new ATOM 0 HB ILE A 49 8.694 15.261 -6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.862 12.736 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.269 12.821 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.552 15.303 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.263 16.445 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.419 14.894 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.577 12.015 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.485 13.585 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.088 13.499 -5.181 1.00 0.00 H new ATOM 846 N GLN A 50 6.924 16.177 -2.677 1.00 0.00 N ATOM 847 CA GLN A 50 6.878 16.414 -1.239 1.00 0.00 C ATOM 848 C GLN A 50 5.742 15.626 -0.594 1.00 0.00 C ATOM 849 O GLN A 50 5.909 15.040 0.476 1.00 0.00 O ATOM 850 CB GLN A 50 6.705 17.907 -0.952 1.00 0.00 C ATOM 851 CG GLN A 50 7.691 18.447 0.071 1.00 0.00 C ATOM 852 CD GLN A 50 7.048 18.711 1.419 1.00 0.00 C ATOM 853 OE1 GLN A 50 6.000 19.351 1.504 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.674 18.217 2.480 1.00 0.00 N ATOM 0 H GLN A 50 6.811 17.015 -3.247 1.00 0.00 H new ATOM 0 HA GLN A 50 7.821 16.075 -0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.818 18.463 -1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.690 18.085 -0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.507 17.735 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.130 19.371 -0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.541 17.692 2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.288 18.362 3.413 1.00 0.00 H new ATOM 863 N VAL A 51 4.587 15.617 -1.251 1.00 0.00 N ATOM 864 CA VAL A 51 3.424 14.900 -0.742 1.00 0.00 C ATOM 865 C VAL A 51 3.644 13.392 -0.787 1.00 0.00 C ATOM 866 O VAL A 51 3.105 12.651 0.036 1.00 0.00 O ATOM 867 CB VAL A 51 2.156 15.246 -1.545 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.073 16.745 -1.793 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.130 14.478 -2.858 1.00 0.00 C ATOM 0 H VAL A 51 4.432 16.098 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 51 3.287 15.214 0.293 1.00 0.00 H new ATOM 0 HB VAL A 51 1.285 14.950 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.171 16.970 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.041 17.270 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.948 17.070 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.227 14.735 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.006 14.741 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.138 13.407 -2.654 1.00 0.00 H new ATOM 879 N TRP A 52 4.440 12.945 -1.751 1.00 0.00 N ATOM 880 CA TRP A 52 4.732 11.524 -1.903 1.00 0.00 C ATOM 881 C TRP A 52 5.878 11.103 -0.989 1.00 0.00 C ATOM 882 O TRP A 52 6.048 9.920 -0.696 1.00 0.00 O ATOM 883 CB TRP A 52 5.081 11.207 -3.358 1.00 0.00 C ATOM 884 CG TRP A 52 4.000 11.586 -4.325 1.00 0.00 C ATOM 885 CD1 TRP A 52 4.112 12.437 -5.387 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.644 11.128 -4.316 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.907 12.536 -6.039 1.00 0.00 N ATOM 888 CE2 TRP A 52 1.990 11.742 -5.403 1.00 0.00 C ATOM 889 CE3 TRP A 52 1.919 10.257 -3.499 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.647 11.512 -5.688 1.00 0.00 C ATOM 891 CZ3 TRP A 52 0.586 10.031 -3.784 1.00 0.00 C ATOM 892 CH2 TRP A 52 -0.039 10.655 -4.871 1.00 0.00 C ATOM 0 H TRP A 52 4.895 13.545 -2.439 1.00 0.00 H new ATOM 0 HA TRP A 52 3.841 10.963 -1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.998 11.731 -3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.284 10.140 -3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.015 12.956 -5.672 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.725 13.108 -6.863 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.392 9.769 -2.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.163 11.993 -6.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.016 9.361 -3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.082 10.456 -5.068 1.00 0.00 H new ATOM 903 N PHE A 53 6.661 12.079 -0.542 1.00 0.00 N ATOM 904 CA PHE A 53 7.791 11.809 0.339 1.00 0.00 C ATOM 905 C PHE A 53 7.330 11.122 1.621 1.00 0.00 C ATOM 906 O PHE A 53 8.127 10.512 2.334 1.00 0.00 O ATOM 907 CB PHE A 53 8.522 13.110 0.679 1.00 0.00 C ATOM 908 CG PHE A 53 9.591 12.942 1.720 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.658 12.084 1.505 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.530 13.641 2.915 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.643 11.927 2.462 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.512 13.489 3.875 1.00 0.00 C ATOM 913 CZ PHE A 53 11.570 12.631 3.648 1.00 0.00 C ATOM 0 H PHE A 53 6.534 13.064 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 53 8.475 11.141 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.970 13.513 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.797 13.844 1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.721 11.532 0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.705 14.313 3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.469 11.255 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.452 14.040 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.339 12.511 4.397 1.00 0.00 H new ATOM 923 N LYS A 54 6.037 11.225 1.908 1.00 0.00 N ATOM 924 CA LYS A 54 5.466 10.614 3.103 1.00 0.00 C ATOM 925 C LYS A 54 5.059 9.169 2.833 1.00 0.00 C ATOM 926 O LYS A 54 4.848 8.391 3.762 1.00 0.00 O ATOM 927 CB LYS A 54 4.254 11.416 3.581 1.00 0.00 C ATOM 928 CG LYS A 54 3.745 10.992 4.948 1.00 0.00 C ATOM 929 CD LYS A 54 2.567 11.842 5.393 1.00 0.00 C ATOM 930 CE LYS A 54 2.119 11.481 6.801 1.00 0.00 C ATOM 931 NZ LYS A 54 1.096 12.431 7.319 1.00 0.00 N ATOM 0 H LYS A 54 5.364 11.726 1.329 1.00 0.00 H new ATOM 0 HA LYS A 54 6.227 10.619 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.518 12.473 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.449 11.310 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.447 9.944 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.550 11.074 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.843 12.896 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.737 11.706 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.711 10.470 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.982 11.478 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.817 12.150 8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.494 13.392 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.262 12.415 6.698 1.00 0.00 H new ATOM 945 N ASN A 55 4.953 8.817 1.556 1.00 0.00 N ATOM 946 CA ASN A 55 4.572 7.465 1.165 1.00 0.00 C ATOM 947 C ASN A 55 5.241 6.430 2.065 1.00 0.00 C ATOM 948 O ASN A 55 4.585 5.795 2.891 1.00 0.00 O ATOM 949 CB ASN A 55 4.950 7.208 -0.295 1.00 0.00 C ATOM 950 CG ASN A 55 4.827 5.746 -0.676 1.00 0.00 C ATOM 951 OD1 ASN A 55 3.798 5.115 -0.435 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.880 5.199 -1.274 1.00 0.00 N ATOM 0 H ASN A 55 5.126 9.449 0.774 1.00 0.00 H new ATOM 0 HA ASN A 55 3.492 7.373 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.309 7.805 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.974 7.540 -0.466 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.856 4.218 -1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.713 5.760 -1.454 1.00 0.00 H new ATOM 959 N ARG A 56 6.549 6.266 1.898 1.00 0.00 N ATOM 960 CA ARG A 56 7.307 5.308 2.694 1.00 0.00 C ATOM 961 C ARG A 56 7.741 5.926 4.020 1.00 0.00 C ATOM 962 O ARG A 56 7.722 5.267 5.060 1.00 0.00 O ATOM 963 CB ARG A 56 8.533 4.825 1.918 1.00 0.00 C ATOM 964 CG ARG A 56 8.980 3.422 2.297 1.00 0.00 C ATOM 965 CD ARG A 56 10.387 3.422 2.873 1.00 0.00 C ATOM 966 NE ARG A 56 10.606 2.301 3.783 1.00 0.00 N ATOM 967 CZ ARG A 56 10.906 1.072 3.377 1.00 0.00 C ATOM 968 NH1 ARG A 56 11.022 0.808 2.083 1.00 0.00 N ATOM 969 NH2 ARG A 56 11.090 0.105 4.266 1.00 0.00 N ATOM 0 H ARG A 56 7.106 6.784 1.219 1.00 0.00 H new ATOM 0 HA ARG A 56 6.660 4.456 2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.311 4.851 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.357 5.518 2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.287 3.003 3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.945 2.778 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.111 3.376 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.562 4.358 3.403 1.00 0.00 H new ATOM 0 HE ARG A 56 10.524 2.471 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.881 1.549 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.252 -0.136 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.001 0.305 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.320 -0.838 3.953 1.00 0.00 H new ATOM 983 N ARG A 57 8.133 7.196 3.975 1.00 0.00 N ATOM 984 CA ARG A 57 8.574 7.902 5.171 1.00 0.00 C ATOM 985 C ARG A 57 7.592 7.690 6.320 1.00 0.00 C ATOM 986 O ARG A 57 7.979 7.693 7.489 1.00 0.00 O ATOM 987 CB ARG A 57 8.722 9.397 4.882 1.00 0.00 C ATOM 988 CG ARG A 57 9.014 10.231 6.118 1.00 0.00 C ATOM 989 CD ARG A 57 10.388 9.918 6.690 1.00 0.00 C ATOM 990 NE ARG A 57 10.306 9.094 7.893 1.00 0.00 N ATOM 991 CZ ARG A 57 9.926 9.560 9.077 1.00 0.00 C ATOM 992 NH1 ARG A 57 9.595 10.836 9.217 1.00 0.00 N ATOM 993 NH2 ARG A 57 9.877 8.748 10.126 1.00 0.00 N ATOM 0 H ARG A 57 8.154 7.756 3.123 1.00 0.00 H new ATOM 0 HA ARG A 57 9.543 7.498 5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.525 9.541 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.806 9.761 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.956 11.290 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.252 10.042 6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.985 9.402 5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.904 10.849 6.923 1.00 0.00 H new ATOM 0 HE ARG A 57 10.554 8.107 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.632 11.463 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.304 11.190 10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.131 7.766 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.585 9.106 11.035 1.00 0.00 H new ATOM 1007 N ALA A 58 6.321 7.508 5.979 1.00 0.00 N ATOM 1008 CA ALA A 58 5.285 7.294 6.982 1.00 0.00 C ATOM 1009 C ALA A 58 5.139 5.812 7.313 1.00 0.00 C ATOM 1010 O ALA A 58 4.857 5.445 8.453 1.00 0.00 O ATOM 1011 CB ALA A 58 3.958 7.861 6.499 1.00 0.00 C ATOM 0 H ALA A 58 5.984 7.504 5.016 1.00 0.00 H new ATOM 0 HA ALA A 58 5.582 7.816 7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.193 7.694 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.063 8.931 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.665 7.365 5.574 1.00 0.00 H new ATOM 1017 N LYS A 59 5.334 4.964 6.308 1.00 0.00 N ATOM 1018 CA LYS A 59 5.225 3.522 6.492 1.00 0.00 C ATOM 1019 C LYS A 59 6.153 3.044 7.605 1.00 0.00 C ATOM 1020 O LYS A 59 5.939 1.983 8.191 1.00 0.00 O ATOM 1021 CB LYS A 59 5.559 2.795 5.188 1.00 0.00 C ATOM 1022 CG LYS A 59 4.340 2.237 4.474 1.00 0.00 C ATOM 1023 CD LYS A 59 3.305 3.318 4.209 1.00 0.00 C ATOM 1024 CE LYS A 59 2.818 3.281 2.768 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.602 2.435 2.616 1.00 0.00 N ATOM 0 H LYS A 59 5.568 5.251 5.358 1.00 0.00 H new ATOM 0 HA LYS A 59 4.198 3.293 6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.077 3.483 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.249 1.979 5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.645 1.785 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.895 1.446 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.459 3.187 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.735 4.296 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.600 4.295 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.611 2.896 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.301 2.435 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.817 1.462 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.837 2.817 3.209 1.00 0.00 H new ATOM 1039 N TYR A 60 7.182 3.834 7.891 1.00 0.00 N ATOM 1040 CA TYR A 60 8.142 3.490 8.932 1.00 0.00 C ATOM 1041 C TYR A 60 7.430 3.114 10.228 1.00 0.00 C ATOM 1042 O TYR A 60 7.933 2.313 11.016 1.00 0.00 O ATOM 1043 CB TYR A 60 9.095 4.660 9.183 1.00 0.00 C ATOM 1044 CG TYR A 60 8.607 5.623 10.241 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.496 6.427 10.018 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.257 5.730 11.464 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.046 7.308 10.982 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.814 6.608 12.435 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.709 7.395 12.189 1.00 0.00 C ATOM 1050 OH TYR A 60 7.265 8.271 13.152 1.00 0.00 O ATOM 0 H TYR A 60 7.372 4.717 7.416 1.00 0.00 H new ATOM 0 HA TYR A 60 8.716 2.628 8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 60 10.067 4.268 9.481 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.243 5.203 8.250 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.975 6.362 9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.124 5.116 11.659 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.180 7.925 10.792 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.330 6.677 13.381 1.00 0.00 H new ATOM 0 HH TYR A 60 7.841 8.208 13.942 1.00 0.00 H new ATOM 1060 N ARG A 61 6.255 3.698 10.440 1.00 0.00 N ATOM 1061 CA ARG A 61 5.472 3.426 11.640 1.00 0.00 C ATOM 1062 C ARG A 61 4.715 2.108 11.507 1.00 0.00 C ATOM 1063 O ARG A 61 4.602 1.345 12.468 1.00 0.00 O ATOM 1064 CB ARG A 61 4.488 4.567 11.902 1.00 0.00 C ATOM 1065 CG ARG A 61 4.111 4.722 13.366 1.00 0.00 C ATOM 1066 CD ARG A 61 3.804 6.171 13.712 1.00 0.00 C ATOM 1067 NE ARG A 61 2.448 6.550 13.326 1.00 0.00 N ATOM 1068 CZ ARG A 61 1.888 7.710 13.652 1.00 0.00 C ATOM 1069 NH1 ARG A 61 2.565 8.599 14.366 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.649 7.982 13.264 1.00 0.00 N ATOM 0 H ARG A 61 5.824 4.362 9.797 1.00 0.00 H new ATOM 0 HA ARG A 61 6.159 3.348 12.482 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.925 5.501 11.547 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.583 4.396 11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.242 4.102 13.587 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.927 4.362 13.993 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.932 6.323 14.784 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.519 6.823 13.210 1.00 0.00 H new ATOM 0 HE ARG A 61 1.901 5.888 12.776 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.518 8.393 14.666 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.133 9.489 14.615 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.125 7.300 12.715 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.220 8.873 13.515 1.00 0.00 H new ATOM 1084 N LEU A 62 4.198 1.846 10.312 1.00 0.00 N ATOM 1085 CA LEU A 62 3.451 0.620 10.053 1.00 0.00 C ATOM 1086 C LEU A 62 4.350 -0.604 10.188 1.00 0.00 C ATOM 1087 O LEU A 62 4.025 -1.548 10.907 1.00 0.00 O ATOM 1088 CB LEU A 62 2.832 0.662 8.655 1.00 0.00 C ATOM 1089 CG LEU A 62 1.508 -0.083 8.484 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.691 -1.568 8.755 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.445 0.502 9.403 1.00 0.00 C ATOM 0 H LEU A 62 4.282 2.466 9.507 1.00 0.00 H new ATOM 0 HA LEU A 62 2.655 0.546 10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.677 1.705 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.552 0.249 7.948 1.00 0.00 H new ATOM 0 HG LEU A 62 1.176 0.038 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.738 -2.081 8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.420 -1.978 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.047 -1.710 9.775 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.491 -0.040 9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.770 0.412 10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.293 1.554 9.160 1.00 0.00 H new