USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 382 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 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.02! C(o=-1!,f=-1.9!) USER MOD Single : A 27 GLN : amide:sc= -4.5! C(o=-4.5!,f=-5.6!) USER MOD Single : A 29 SER OG : rot -84:sc= -0.623! USER MOD Single : A 32 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 33 SER OG : rot 41:sc= 1.19 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0394 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 42 ASN : amide:sc= 0.363 K(o=0.36,f=-0.26) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -53:sc= 0.702 USER MOD Single : A 49 LYS NZ :NH3+ -114:sc= 0.401 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 81:sc= 0.729 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N THR A 19 7.520 -5.983 -7.134 1.00 0.00 N ATOM 259 CA THR A 19 6.943 -5.799 -8.459 1.00 0.00 C ATOM 260 C THR A 19 5.641 -5.009 -8.387 1.00 0.00 C ATOM 261 O THR A 19 4.925 -5.065 -7.388 1.00 0.00 O ATOM 262 CB THR A 19 6.672 -7.150 -9.147 1.00 0.00 C ATOM 263 OG1 THR A 19 6.383 -6.945 -10.534 1.00 0.00 O ATOM 264 CG2 THR A 19 5.509 -7.872 -8.483 1.00 0.00 C ATOM 0 HA THR A 19 7.672 -5.241 -9.046 1.00 0.00 H new ATOM 0 HB THR A 19 7.565 -7.767 -9.050 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.214 -7.809 -10.964 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.336 -8.823 -8.986 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.744 -8.053 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.612 -7.257 -8.552 1.00 0.00 H new ATOM 272 N ALA A 20 5.340 -4.274 -9.452 1.00 0.00 N ATOM 273 CA ALA A 20 4.123 -3.474 -9.510 1.00 0.00 C ATOM 274 C ALA A 20 2.936 -4.239 -8.933 1.00 0.00 C ATOM 275 O ALA A 20 2.385 -3.860 -7.901 1.00 0.00 O ATOM 276 CB ALA A 20 3.835 -3.053 -10.944 1.00 0.00 C ATOM 0 H ALA A 20 5.923 -4.216 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 20 4.276 -2.580 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.923 -2.456 -10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.668 -2.461 -11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.707 -3.940 -11.565 1.00 0.00 H new ATOM 282 N GLU A 21 2.548 -5.317 -9.608 1.00 0.00 N ATOM 283 CA GLU A 21 1.426 -6.134 -9.162 1.00 0.00 C ATOM 284 C GLU A 21 1.412 -6.255 -7.641 1.00 0.00 C ATOM 285 O GLU A 21 0.413 -5.943 -6.993 1.00 0.00 O ATOM 286 CB GLU A 21 1.494 -7.525 -9.795 1.00 0.00 C ATOM 287 CG GLU A 21 0.173 -8.275 -9.762 1.00 0.00 C ATOM 288 CD GLU A 21 -0.165 -8.799 -8.380 1.00 0.00 C ATOM 289 OE1 GLU A 21 0.772 -9.086 -7.607 1.00 0.00 O ATOM 290 OE2 GLU A 21 -1.369 -8.921 -8.071 1.00 0.00 O ATOM 0 H GLU A 21 2.994 -5.644 -10.465 1.00 0.00 H new ATOM 0 HA GLU A 21 0.505 -5.644 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.821 -7.428 -10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.250 -8.114 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.625 -7.614 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.215 -9.109 -10.463 1.00 0.00 H new ATOM 297 N GLN A 22 2.527 -6.712 -7.080 1.00 0.00 N ATOM 298 CA GLN A 22 2.642 -6.876 -5.635 1.00 0.00 C ATOM 299 C GLN A 22 2.262 -5.590 -4.909 1.00 0.00 C ATOM 300 O GLN A 22 1.363 -5.584 -4.066 1.00 0.00 O ATOM 301 CB GLN A 22 4.068 -7.285 -5.260 1.00 0.00 C ATOM 302 CG GLN A 22 4.395 -8.731 -5.598 1.00 0.00 C ATOM 303 CD GLN A 22 5.812 -9.112 -5.219 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.709 -8.269 -5.193 1.00 0.00 O ATOM 305 NE2 GLN A 22 6.022 -10.389 -4.921 1.00 0.00 N ATOM 0 H GLN A 22 3.362 -6.975 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 22 1.952 -7.662 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.772 -6.632 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.213 -7.129 -4.191 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.695 -9.388 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.253 -8.891 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.250 -11.054 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.956 -10.704 -4.658 1.00 0.00 H new ATOM 314 N LEU A 23 2.950 -4.504 -5.240 1.00 0.00 N ATOM 315 CA LEU A 23 2.684 -3.211 -4.619 1.00 0.00 C ATOM 316 C LEU A 23 1.219 -2.820 -4.781 1.00 0.00 C ATOM 317 O LEU A 23 0.501 -2.641 -3.796 1.00 0.00 O ATOM 318 CB LEU A 23 3.581 -2.134 -5.232 1.00 0.00 C ATOM 319 CG LEU A 23 5.020 -2.085 -4.715 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.830 -1.055 -5.488 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.041 -1.774 -3.226 1.00 0.00 C ATOM 0 H LEU A 23 3.697 -4.492 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 23 2.903 -3.296 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.609 -2.284 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.120 -1.162 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 23 5.474 -3.064 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.851 -1.034 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.843 -1.321 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.377 -0.071 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.073 -1.743 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.569 -0.808 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.497 -2.548 -2.685 1.00 0.00 H new ATOM 333 N ARG A 24 0.780 -2.691 -6.029 1.00 0.00 N ATOM 334 CA ARG A 24 -0.600 -2.322 -6.319 1.00 0.00 C ATOM 335 C ARG A 24 -1.551 -2.915 -5.283 1.00 0.00 C ATOM 336 O ARG A 24 -2.571 -2.315 -4.946 1.00 0.00 O ATOM 337 CB ARG A 24 -0.994 -2.798 -7.719 1.00 0.00 C ATOM 338 CG ARG A 24 -2.493 -2.786 -7.967 1.00 0.00 C ATOM 339 CD ARG A 24 -2.855 -3.551 -9.230 1.00 0.00 C ATOM 340 NE ARG A 24 -4.077 -3.044 -9.847 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.159 -1.865 -10.455 1.00 0.00 C ATOM 342 NH1 ARG A 24 -3.095 -1.077 -10.527 1.00 0.00 N ATOM 343 NH2 ARG A 24 -5.307 -1.473 -10.992 1.00 0.00 N ATOM 0 H ARG A 24 1.360 -2.837 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.675 -1.235 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.507 -2.164 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.618 -3.810 -7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.008 -3.227 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.841 -1.756 -8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.034 -3.482 -9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.981 -4.607 -8.990 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.914 -3.626 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.211 -1.375 -10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.161 -0.173 -10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.128 -2.077 -10.938 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.369 -0.568 -11.458 1.00 0.00 H new ATOM 357 N VAL A 25 -1.209 -4.098 -4.783 1.00 0.00 N ATOM 358 CA VAL A 25 -2.031 -4.773 -3.785 1.00 0.00 C ATOM 359 C VAL A 25 -1.714 -4.270 -2.381 1.00 0.00 C ATOM 360 O VAL A 25 -2.575 -3.709 -1.702 1.00 0.00 O ATOM 361 CB VAL A 25 -1.828 -6.299 -3.829 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.672 -6.981 -2.763 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.162 -6.840 -5.211 1.00 0.00 C ATOM 0 H VAL A 25 -0.368 -4.609 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.070 -4.545 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.780 -6.515 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.515 -8.059 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.381 -6.614 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.725 -6.760 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.013 -7.920 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.201 -6.614 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.511 -6.375 -5.951 1.00 0.00 H new ATOM 373 N LEU A 26 -0.474 -4.473 -1.951 1.00 0.00 N ATOM 374 CA LEU A 26 -0.042 -4.040 -0.627 1.00 0.00 C ATOM 375 C LEU A 26 -0.464 -2.598 -0.362 1.00 0.00 C ATOM 376 O LEU A 26 -1.043 -2.293 0.681 1.00 0.00 O ATOM 377 CB LEU A 26 1.476 -4.171 -0.496 1.00 0.00 C ATOM 378 CG LEU A 26 2.037 -5.591 -0.583 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.452 -5.573 -1.141 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.009 -6.261 0.783 1.00 0.00 C ATOM 0 H LEU A 26 0.251 -4.935 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.521 -4.682 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.941 -3.570 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.777 -3.741 0.459 1.00 0.00 H new ATOM 0 HG LEU A 26 1.408 -6.168 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.835 -6.592 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.444 -5.134 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.093 -4.979 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.412 -7.271 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.613 -5.685 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.982 -6.308 1.144 1.00 0.00 H new ATOM 392 N GLN A 27 -0.171 -1.717 -1.312 1.00 0.00 N ATOM 393 CA GLN A 27 -0.522 -0.308 -1.181 1.00 0.00 C ATOM 394 C GLN A 27 -2.024 -0.137 -0.982 1.00 0.00 C ATOM 395 O GLN A 27 -2.464 0.676 -0.169 1.00 0.00 O ATOM 396 CB GLN A 27 -0.067 0.470 -2.417 1.00 0.00 C ATOM 397 CG GLN A 27 0.266 1.926 -2.132 1.00 0.00 C ATOM 398 CD GLN A 27 -0.933 2.840 -2.287 1.00 0.00 C ATOM 399 OE1 GLN A 27 -1.978 2.432 -2.796 1.00 0.00 O ATOM 400 NE2 GLN A 27 -0.789 4.085 -1.849 1.00 0.00 N ATOM 0 H GLN A 27 0.308 -1.954 -2.181 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.011 0.087 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.811 -0.018 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.852 0.427 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.656 2.014 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.057 2.253 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.095 4.381 -1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.562 4.746 -1.928 1.00 0.00 H new ATOM 409 N ALA A 28 -2.806 -0.908 -1.730 1.00 0.00 N ATOM 410 CA ALA A 28 -4.259 -0.843 -1.635 1.00 0.00 C ATOM 411 C ALA A 28 -4.749 -1.423 -0.312 1.00 0.00 C ATOM 412 O ALA A 28 -5.890 -1.196 0.092 1.00 0.00 O ATOM 413 CB ALA A 28 -4.898 -1.577 -2.804 1.00 0.00 C ATOM 0 H ALA A 28 -2.458 -1.585 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.554 0.206 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.983 -1.520 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.582 -1.116 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.587 -2.622 -2.791 1.00 0.00 H new ATOM 419 N SER A 29 -3.880 -2.173 0.358 1.00 0.00 N ATOM 420 CA SER A 29 -4.226 -2.790 1.633 1.00 0.00 C ATOM 421 C SER A 29 -3.771 -1.918 2.799 1.00 0.00 C ATOM 422 O SER A 29 -4.590 -1.412 3.568 1.00 0.00 O ATOM 423 CB SER A 29 -3.592 -4.177 1.741 1.00 0.00 C ATOM 424 OG SER A 29 -4.103 -4.886 2.857 1.00 0.00 O ATOM 0 H SER A 29 -2.931 -2.368 0.039 1.00 0.00 H new ATOM 0 HA SER A 29 -5.310 -2.890 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.785 -4.741 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.510 -4.080 1.832 1.00 0.00 H new ATOM 0 HG SER A 29 -3.607 -4.629 3.663 1.00 0.00 H new ATOM 430 N PHE A 30 -2.460 -1.745 2.925 1.00 0.00 N ATOM 431 CA PHE A 30 -1.894 -0.935 3.997 1.00 0.00 C ATOM 432 C PHE A 30 -2.728 0.322 4.227 1.00 0.00 C ATOM 433 O PHE A 30 -2.952 0.732 5.367 1.00 0.00 O ATOM 434 CB PHE A 30 -0.450 -0.551 3.668 1.00 0.00 C ATOM 435 CG PHE A 30 0.055 0.619 4.463 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.552 0.440 5.744 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.033 1.898 3.930 1.00 0.00 C ATOM 438 CE1 PHE A 30 1.016 1.515 6.478 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.497 2.976 4.659 1.00 0.00 C ATOM 440 CZ PHE A 30 0.990 2.784 5.935 1.00 0.00 C ATOM 0 H PHE A 30 -1.769 -2.155 2.297 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.904 -1.529 4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.196 -1.410 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.378 -0.317 2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.577 -0.551 6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.351 2.054 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.399 1.362 7.476 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.474 3.968 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.354 3.625 6.507 1.00 0.00 H new ATOM 450 N LEU A 31 -3.184 0.929 3.137 1.00 0.00 N ATOM 451 CA LEU A 31 -3.992 2.141 3.218 1.00 0.00 C ATOM 452 C LEU A 31 -5.346 1.850 3.858 1.00 0.00 C ATOM 453 O LEU A 31 -5.879 2.669 4.605 1.00 0.00 O ATOM 454 CB LEU A 31 -4.193 2.738 1.824 1.00 0.00 C ATOM 455 CG LEU A 31 -3.014 3.531 1.258 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.228 3.825 -0.218 1.00 0.00 C ATOM 457 CD2 LEU A 31 -2.818 4.824 2.038 1.00 0.00 C ATOM 0 H LEU A 31 -3.008 0.602 2.187 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.462 2.861 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.425 1.927 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.065 3.392 1.853 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.112 2.927 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.379 4.390 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.319 2.887 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.140 4.409 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.975 5.376 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.720 5.432 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.618 4.591 3.084 1.00 0.00 H new ATOM 469 N ASN A 32 -5.895 0.676 3.562 1.00 0.00 N ATOM 470 CA ASN A 32 -7.186 0.276 4.110 1.00 0.00 C ATOM 471 C ASN A 32 -7.062 -0.084 5.588 1.00 0.00 C ATOM 472 O ASN A 32 -8.054 -0.117 6.315 1.00 0.00 O ATOM 473 CB ASN A 32 -7.749 -0.913 3.330 1.00 0.00 C ATOM 474 CG ASN A 32 -8.634 -0.481 2.177 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.833 -0.761 2.162 1.00 0.00 O ATOM 476 ND2 ASN A 32 -8.046 0.204 1.204 1.00 0.00 N ATOM 0 H ASN A 32 -5.466 -0.015 2.946 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.869 1.120 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -6.925 -1.515 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.321 -1.549 4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.591 0.521 0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.049 0.414 1.258 1.00 0.00 H new ATOM 483 N SER A 33 -5.835 -0.352 6.025 1.00 0.00 N ATOM 484 CA SER A 33 -5.581 -0.713 7.414 1.00 0.00 C ATOM 485 C SER A 33 -4.082 -0.816 7.683 1.00 0.00 C ATOM 486 O SER A 33 -3.417 -1.736 7.210 1.00 0.00 O ATOM 487 CB SER A 33 -6.263 -2.040 7.752 1.00 0.00 C ATOM 488 OG SER A 33 -7.610 -1.837 8.141 1.00 0.00 O ATOM 0 H SER A 33 -5.002 -0.326 5.437 1.00 0.00 H new ATOM 0 HA SER A 33 -5.994 0.071 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.227 -2.702 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.720 -2.537 8.556 1.00 0.00 H new ATOM 0 HG SER A 33 -8.019 -1.161 7.562 1.00 0.00 H new ATOM 494 N SER A 34 -3.558 0.137 8.448 1.00 0.00 N ATOM 495 CA SER A 34 -2.138 0.158 8.777 1.00 0.00 C ATOM 496 C SER A 34 -1.769 -1.028 9.664 1.00 0.00 C ATOM 497 O SER A 34 -0.762 -1.698 9.436 1.00 0.00 O ATOM 498 CB SER A 34 -1.775 1.467 9.481 1.00 0.00 C ATOM 499 OG SER A 34 -2.484 1.604 10.700 1.00 0.00 O ATOM 0 H SER A 34 -4.096 0.904 8.851 1.00 0.00 H new ATOM 0 HA SER A 34 -1.574 0.085 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.703 1.494 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.002 2.310 8.828 1.00 0.00 H new ATOM 0 HG SER A 34 -2.233 2.447 11.131 1.00 0.00 H new ATOM 505 N VAL A 35 -2.592 -1.281 10.676 1.00 0.00 N ATOM 506 CA VAL A 35 -2.355 -2.386 11.597 1.00 0.00 C ATOM 507 C VAL A 35 -2.713 -3.722 10.956 1.00 0.00 C ATOM 508 O VAL A 35 -3.828 -4.220 11.114 1.00 0.00 O ATOM 509 CB VAL A 35 -3.165 -2.219 12.896 1.00 0.00 C ATOM 510 CG1 VAL A 35 -2.884 -3.367 13.853 1.00 0.00 C ATOM 511 CG2 VAL A 35 -2.853 -0.881 13.549 1.00 0.00 C ATOM 0 H VAL A 35 -3.429 -0.735 10.879 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.292 -2.374 11.837 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.226 -2.238 12.647 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.465 -3.231 14.765 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.163 -4.310 13.382 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.822 -3.384 14.099 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.434 -0.779 14.466 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.790 -0.831 13.785 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.111 -0.073 12.864 1.00 0.00 H new ATOM 521 N LEU A 36 -1.760 -4.299 10.232 1.00 0.00 N ATOM 522 CA LEU A 36 -1.974 -5.579 9.566 1.00 0.00 C ATOM 523 C LEU A 36 -2.620 -6.585 10.515 1.00 0.00 C ATOM 524 O LEU A 36 -2.259 -6.668 11.689 1.00 0.00 O ATOM 525 CB LEU A 36 -0.647 -6.133 9.045 1.00 0.00 C ATOM 526 CG LEU A 36 -0.744 -7.135 7.894 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.231 -6.448 6.627 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.601 -7.806 7.656 1.00 0.00 C ATOM 0 H LEU A 36 -0.832 -3.901 10.091 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.648 -5.415 8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.029 -5.296 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.125 -6.612 9.874 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.467 -7.903 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.294 -7.177 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.216 -6.016 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.533 -5.658 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.513 -8.516 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.345 -7.050 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.909 -8.333 8.559 1.00 0.00 H new ATOM 540 N THR A 37 -3.577 -7.349 9.996 1.00 0.00 N ATOM 541 CA THR A 37 -4.272 -8.349 10.796 1.00 0.00 C ATOM 542 C THR A 37 -4.170 -9.730 10.158 1.00 0.00 C ATOM 543 O THR A 37 -4.225 -9.866 8.936 1.00 0.00 O ATOM 544 CB THR A 37 -5.759 -7.989 10.977 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.351 -7.695 9.707 1.00 0.00 O ATOM 546 CG2 THR A 37 -5.916 -6.793 11.904 1.00 0.00 C ATOM 0 H THR A 37 -3.888 -7.294 9.026 1.00 0.00 H new ATOM 0 HA THR A 37 -3.788 -8.365 11.773 1.00 0.00 H new ATOM 0 HB THR A 37 -6.265 -8.845 11.423 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.296 -7.469 9.831 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.974 -6.557 12.017 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.491 -7.030 12.879 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.396 -5.934 11.481 1.00 0.00 H new ATOM 554 N ASP A 38 -4.023 -10.753 10.993 1.00 0.00 N ATOM 555 CA ASP A 38 -3.915 -12.125 10.511 1.00 0.00 C ATOM 556 C ASP A 38 -4.766 -12.330 9.262 1.00 0.00 C ATOM 557 O ASP A 38 -4.268 -12.765 8.225 1.00 0.00 O ATOM 558 CB ASP A 38 -4.343 -13.107 11.602 1.00 0.00 C ATOM 559 CG ASP A 38 -4.717 -14.466 11.044 1.00 0.00 C ATOM 560 OD1 ASP A 38 -3.966 -14.983 10.191 1.00 0.00 O ATOM 561 OD2 ASP A 38 -5.760 -15.012 11.460 1.00 0.00 O ATOM 0 H ASP A 38 -3.976 -10.658 12.007 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.873 -12.313 10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.532 -13.223 12.321 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.193 -12.694 12.145 1.00 0.00 H new ATOM 566 N GLU A 39 -6.053 -12.014 9.371 1.00 0.00 N ATOM 567 CA GLU A 39 -6.974 -12.166 8.250 1.00 0.00 C ATOM 568 C GLU A 39 -6.404 -11.525 6.987 1.00 0.00 C ATOM 569 O GLU A 39 -6.370 -12.147 5.926 1.00 0.00 O ATOM 570 CB GLU A 39 -8.329 -11.541 8.586 1.00 0.00 C ATOM 571 CG GLU A 39 -8.236 -10.367 9.546 1.00 0.00 C ATOM 572 CD GLU A 39 -9.521 -9.564 9.611 1.00 0.00 C ATOM 573 OE1 GLU A 39 -10.394 -9.908 10.434 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.653 -8.591 8.839 1.00 0.00 O ATOM 0 H GLU A 39 -6.481 -11.652 10.223 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.110 -13.232 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.805 -11.208 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.974 -12.305 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.991 -10.735 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.419 -9.714 9.238 1.00 0.00 H new ATOM 581 N GLU A 40 -5.960 -10.279 7.112 1.00 0.00 N ATOM 582 CA GLU A 40 -5.393 -9.554 5.981 1.00 0.00 C ATOM 583 C GLU A 40 -4.054 -10.155 5.564 1.00 0.00 C ATOM 584 O GLU A 40 -3.880 -10.580 4.421 1.00 0.00 O ATOM 585 CB GLU A 40 -5.213 -8.075 6.333 1.00 0.00 C ATOM 586 CG GLU A 40 -4.368 -7.309 5.329 1.00 0.00 C ATOM 587 CD GLU A 40 -4.736 -5.840 5.259 1.00 0.00 C ATOM 588 OE1 GLU A 40 -5.944 -5.534 5.174 1.00 0.00 O ATOM 589 OE2 GLU A 40 -3.816 -4.996 5.288 1.00 0.00 O ATOM 0 H GLU A 40 -5.982 -9.751 7.984 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.086 -9.640 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.194 -7.605 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.751 -7.998 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.316 -7.404 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.487 -7.757 4.343 1.00 0.00 H new ATOM 596 N LEU A 41 -3.111 -10.187 6.499 1.00 0.00 N ATOM 597 CA LEU A 41 -1.786 -10.736 6.230 1.00 0.00 C ATOM 598 C LEU A 41 -1.873 -11.932 5.287 1.00 0.00 C ATOM 599 O LEU A 41 -1.124 -12.024 4.315 1.00 0.00 O ATOM 600 CB LEU A 41 -1.109 -11.152 7.537 1.00 0.00 C ATOM 601 CG LEU A 41 0.419 -11.188 7.520 1.00 0.00 C ATOM 602 CD1 LEU A 41 0.968 -11.213 8.938 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.915 -12.392 6.733 1.00 0.00 C ATOM 0 H LEU A 41 -3.239 -9.840 7.449 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.190 -9.960 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.427 -10.466 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.473 -12.142 7.812 1.00 0.00 H new ATOM 0 HG LEU A 41 0.779 -10.284 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.057 -11.239 8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.641 -10.320 9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.599 -12.099 9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.005 -12.402 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.545 -13.307 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.551 -12.331 5.707 1.00 0.00 H new ATOM 615 N ASN A 42 -2.794 -12.844 5.580 1.00 0.00 N ATOM 616 CA ASN A 42 -2.980 -14.034 4.757 1.00 0.00 C ATOM 617 C ASN A 42 -3.321 -13.653 3.319 1.00 0.00 C ATOM 618 O ASN A 42 -2.541 -13.898 2.400 1.00 0.00 O ATOM 619 CB ASN A 42 -4.088 -14.914 5.339 1.00 0.00 C ATOM 620 CG ASN A 42 -3.576 -15.850 6.417 1.00 0.00 C ATOM 621 OD1 ASN A 42 -3.329 -17.029 6.164 1.00 0.00 O ATOM 622 ND2 ASN A 42 -3.415 -15.327 7.627 1.00 0.00 N ATOM 0 H ASN A 42 -3.423 -12.782 6.381 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.044 -14.593 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.872 -14.280 5.754 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.542 -15.499 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.074 -15.908 8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.633 -14.344 7.791 1.00 0.00 H new ATOM 629 N ARG A 43 -4.492 -13.051 3.134 1.00 0.00 N ATOM 630 CA ARG A 43 -4.937 -12.636 1.809 1.00 0.00 C ATOM 631 C ARG A 43 -3.759 -12.155 0.966 1.00 0.00 C ATOM 632 O ARG A 43 -3.589 -12.575 -0.179 1.00 0.00 O ATOM 633 CB ARG A 43 -5.983 -11.527 1.924 1.00 0.00 C ATOM 634 CG ARG A 43 -7.002 -11.532 0.796 1.00 0.00 C ATOM 635 CD ARG A 43 -7.514 -10.131 0.500 1.00 0.00 C ATOM 636 NE ARG A 43 -8.592 -9.739 1.404 1.00 0.00 N ATOM 637 CZ ARG A 43 -9.800 -10.292 1.389 1.00 0.00 C ATOM 638 NH1 ARG A 43 -10.082 -11.255 0.523 1.00 0.00 N ATOM 639 NH2 ARG A 43 -10.729 -9.882 2.244 1.00 0.00 N ATOM 0 H ARG A 43 -5.149 -12.840 3.885 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.385 -13.499 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.506 -11.629 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.477 -10.562 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.550 -11.952 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.839 -12.177 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.693 -9.419 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.870 -10.085 -0.529 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.408 -9.001 2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.371 -11.574 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.010 -11.677 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.516 -9.142 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.656 -10.307 2.232 1.00 0.00 H new ATOM 653 N LEU A 44 -2.950 -11.272 1.540 1.00 0.00 N ATOM 654 CA LEU A 44 -1.788 -10.732 0.842 1.00 0.00 C ATOM 655 C LEU A 44 -0.734 -11.813 0.623 1.00 0.00 C ATOM 656 O LEU A 44 -0.212 -11.969 -0.481 1.00 0.00 O ATOM 657 CB LEU A 44 -1.186 -9.570 1.634 1.00 0.00 C ATOM 658 CG LEU A 44 -2.128 -8.404 1.935 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.687 -7.672 3.193 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.187 -7.447 0.753 1.00 0.00 C ATOM 0 H LEU A 44 -3.077 -10.914 2.487 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.117 -10.368 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.807 -9.958 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.329 -9.185 1.081 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.128 -8.804 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.369 -6.845 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.697 -8.361 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.678 -7.284 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.862 -6.623 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.190 -7.054 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.551 -7.978 -0.127 1.00 0.00 H new ATOM 672 N ARG A 45 -0.428 -12.557 1.680 1.00 0.00 N ATOM 673 CA ARG A 45 0.562 -13.624 1.603 1.00 0.00 C ATOM 674 C ARG A 45 0.326 -14.497 0.374 1.00 0.00 C ATOM 675 O ARG A 45 1.257 -15.100 -0.159 1.00 0.00 O ATOM 676 CB ARG A 45 0.517 -14.483 2.868 1.00 0.00 C ATOM 677 CG ARG A 45 1.857 -15.102 3.232 1.00 0.00 C ATOM 678 CD ARG A 45 1.894 -15.532 4.690 1.00 0.00 C ATOM 679 NE ARG A 45 1.425 -16.904 4.868 1.00 0.00 N ATOM 680 CZ ARG A 45 1.636 -17.616 5.969 1.00 0.00 C ATOM 681 NH1 ARG A 45 2.305 -17.089 6.985 1.00 0.00 N ATOM 682 NH2 ARG A 45 1.177 -18.858 6.055 1.00 0.00 N ATOM 0 H ARG A 45 -0.852 -12.441 2.601 1.00 0.00 H new ATOM 0 HA ARG A 45 1.547 -13.166 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.171 -13.871 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.216 -15.278 2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.047 -15.964 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.654 -14.383 3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.913 -15.445 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.276 -14.858 5.283 1.00 0.00 H new ATOM 0 HE ARG A 45 0.907 -17.339 4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.659 -16.134 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.466 -17.638 7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.662 -19.266 5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.339 -19.404 6.901 1.00 0.00 H new ATOM 696 N ALA A 46 -0.925 -14.559 -0.070 1.00 0.00 N ATOM 697 CA ALA A 46 -1.283 -15.356 -1.237 1.00 0.00 C ATOM 698 C ALA A 46 -1.297 -14.504 -2.501 1.00 0.00 C ATOM 699 O ALA A 46 -0.685 -14.860 -3.507 1.00 0.00 O ATOM 700 CB ALA A 46 -2.637 -16.018 -1.029 1.00 0.00 C ATOM 0 H ALA A 46 -1.708 -14.067 0.361 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.527 -16.131 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.892 -16.610 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.594 -16.667 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.397 -15.252 -0.875 1.00 0.00 H new ATOM 706 N GLN A 47 -2.000 -13.377 -2.441 1.00 0.00 N ATOM 707 CA GLN A 47 -2.094 -12.475 -3.583 1.00 0.00 C ATOM 708 C GLN A 47 -0.708 -12.066 -4.070 1.00 0.00 C ATOM 709 O GLN A 47 -0.354 -12.288 -5.229 1.00 0.00 O ATOM 710 CB GLN A 47 -2.904 -11.231 -3.212 1.00 0.00 C ATOM 711 CG GLN A 47 -4.406 -11.417 -3.358 1.00 0.00 C ATOM 712 CD GLN A 47 -5.166 -10.108 -3.283 1.00 0.00 C ATOM 713 OE1 GLN A 47 -5.598 -9.568 -4.302 1.00 0.00 O ATOM 714 NE2 GLN A 47 -5.334 -9.589 -2.073 1.00 0.00 N ATOM 0 H GLN A 47 -2.512 -13.067 -1.615 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.601 -13.004 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.679 -10.955 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.586 -10.400 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.617 -11.901 -4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.763 -12.086 -2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.959 -10.070 -1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.838 -8.709 -1.961 1.00 0.00 H new ATOM 723 N THR A 48 0.075 -11.468 -3.178 1.00 0.00 N ATOM 724 CA THR A 48 1.422 -11.027 -3.517 1.00 0.00 C ATOM 725 C THR A 48 2.393 -12.201 -3.550 1.00 0.00 C ATOM 726 O THR A 48 3.529 -12.070 -4.008 1.00 0.00 O ATOM 727 CB THR A 48 1.938 -9.977 -2.516 1.00 0.00 C ATOM 728 OG1 THR A 48 2.167 -10.586 -1.240 1.00 0.00 O ATOM 729 CG2 THR A 48 0.943 -8.836 -2.367 1.00 0.00 C ATOM 0 H THR A 48 -0.201 -11.278 -2.215 1.00 0.00 H new ATOM 0 HA THR A 48 1.367 -10.577 -4.508 1.00 0.00 H new ATOM 0 HB THR A 48 2.875 -9.573 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.361 -11.067 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.329 -8.107 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.793 -8.355 -3.334 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.008 -9.227 -2.006 1.00 0.00 H new ATOM 737 N LYS A 49 1.940 -13.351 -3.062 1.00 0.00 N ATOM 738 CA LYS A 49 2.768 -14.551 -3.037 1.00 0.00 C ATOM 739 C LYS A 49 4.071 -14.298 -2.285 1.00 0.00 C ATOM 740 O LYS A 49 5.109 -14.878 -2.608 1.00 0.00 O ATOM 741 CB LYS A 49 3.072 -15.017 -4.463 1.00 0.00 C ATOM 742 CG LYS A 49 1.828 -15.280 -5.294 1.00 0.00 C ATOM 743 CD LYS A 49 1.349 -16.714 -5.141 1.00 0.00 C ATOM 744 CE LYS A 49 0.403 -17.109 -6.265 1.00 0.00 C ATOM 745 NZ LYS A 49 -0.972 -16.581 -6.044 1.00 0.00 N ATOM 0 H LYS A 49 1.003 -13.477 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 49 2.214 -15.332 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.679 -14.261 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.669 -15.928 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.035 -14.596 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.040 -15.076 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.207 -17.386 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.844 -16.830 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.788 -16.733 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.366 -18.196 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.628 -17.373 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.976 -15.961 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.274 -16.039 -6.879 1.00 0.00 H new ATOM 759 N LEU A 50 4.011 -13.430 -1.282 1.00 0.00 N ATOM 760 CA LEU A 50 5.186 -13.101 -0.483 1.00 0.00 C ATOM 761 C LEU A 50 5.122 -13.776 0.883 1.00 0.00 C ATOM 762 O LEU A 50 4.184 -14.517 1.179 1.00 0.00 O ATOM 763 CB LEU A 50 5.302 -11.585 -0.311 1.00 0.00 C ATOM 764 CG LEU A 50 6.060 -10.841 -1.410 1.00 0.00 C ATOM 765 CD1 LEU A 50 5.942 -9.337 -1.216 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.521 -11.264 -1.432 1.00 0.00 C ATOM 0 H LEU A 50 3.161 -12.941 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 50 6.067 -13.469 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.297 -11.169 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.793 -11.384 0.641 1.00 0.00 H new ATOM 0 HG LEU A 50 5.614 -11.099 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.488 -8.824 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.892 -9.047 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.361 -9.061 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.044 -10.724 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.980 -11.036 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.587 -12.335 -1.621 1.00 0.00 H new ATOM 778 N THR A 51 6.126 -13.514 1.715 1.00 0.00 N ATOM 779 CA THR A 51 6.184 -14.095 3.050 1.00 0.00 C ATOM 780 C THR A 51 5.848 -13.058 4.116 1.00 0.00 C ATOM 781 O THR A 51 6.137 -11.872 3.954 1.00 0.00 O ATOM 782 CB THR A 51 7.575 -14.686 3.346 1.00 0.00 C ATOM 783 OG1 THR A 51 7.534 -15.455 4.553 1.00 0.00 O ATOM 784 CG2 THR A 51 8.615 -13.584 3.475 1.00 0.00 C ATOM 0 H THR A 51 6.910 -12.903 1.487 1.00 0.00 H new ATOM 0 HA THR A 51 5.444 -14.895 3.079 1.00 0.00 H new ATOM 0 HB THR A 51 7.855 -15.332 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.422 -15.829 4.733 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.589 -14.026 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.665 -13.020 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.337 -12.915 4.290 1.00 0.00 H new ATOM 792 N ARG A 52 5.238 -13.512 5.206 1.00 0.00 N ATOM 793 CA ARG A 52 4.863 -12.622 6.298 1.00 0.00 C ATOM 794 C ARG A 52 5.883 -11.499 6.459 1.00 0.00 C ATOM 795 O ARG A 52 5.567 -10.326 6.257 1.00 0.00 O ATOM 796 CB ARG A 52 4.744 -13.408 7.606 1.00 0.00 C ATOM 797 CG ARG A 52 4.023 -12.649 8.708 1.00 0.00 C ATOM 798 CD ARG A 52 4.993 -11.843 9.557 1.00 0.00 C ATOM 799 NE ARG A 52 5.522 -12.623 10.673 1.00 0.00 N ATOM 800 CZ ARG A 52 4.802 -12.971 11.733 1.00 0.00 C ATOM 801 NH1 ARG A 52 3.529 -12.611 11.820 1.00 0.00 N ATOM 802 NH2 ARG A 52 5.354 -13.681 12.708 1.00 0.00 N ATOM 0 H ARG A 52 4.993 -14.491 5.356 1.00 0.00 H new ATOM 0 HA ARG A 52 3.896 -12.180 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.215 -14.341 7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.743 -13.674 7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.283 -11.981 8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.481 -13.352 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.818 -11.496 8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.488 -10.957 9.941 1.00 0.00 H new ATOM 0 HE ARG A 52 6.498 -12.916 10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.101 -12.066 11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.978 -12.879 12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.333 -13.960 12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.800 -13.948 13.522 1.00 0.00 H new ATOM 816 N ARG A 53 7.107 -11.866 6.825 1.00 0.00 N ATOM 817 CA ARG A 53 8.173 -10.889 7.014 1.00 0.00 C ATOM 818 C ARG A 53 8.143 -9.831 5.915 1.00 0.00 C ATOM 819 O ARG A 53 8.054 -8.636 6.193 1.00 0.00 O ATOM 820 CB ARG A 53 9.535 -11.585 7.030 1.00 0.00 C ATOM 821 CG ARG A 53 10.581 -10.860 7.860 1.00 0.00 C ATOM 822 CD ARG A 53 10.333 -11.041 9.350 1.00 0.00 C ATOM 823 NE ARG A 53 10.807 -9.899 10.127 1.00 0.00 N ATOM 824 CZ ARG A 53 10.721 -9.824 11.450 1.00 0.00 C ATOM 825 NH1 ARG A 53 10.184 -10.820 12.141 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.175 -8.751 12.086 1.00 0.00 N ATOM 0 H ARG A 53 7.385 -12.832 6.996 1.00 0.00 H new ATOM 0 HA ARG A 53 8.013 -10.396 7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.412 -12.596 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.897 -11.679 6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.572 -11.236 7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.570 -9.798 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.266 -11.181 9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.834 -11.946 9.693 1.00 0.00 H new ATOM 0 HE ARG A 53 11.227 -9.116 9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.835 -11.647 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.120 -10.759 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.590 -7.983 11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.108 -8.694 13.102 1.00 0.00 H new ATOM 840 N GLU A 54 8.219 -10.281 4.666 1.00 0.00 N ATOM 841 CA GLU A 54 8.202 -9.372 3.526 1.00 0.00 C ATOM 842 C GLU A 54 7.061 -8.366 3.649 1.00 0.00 C ATOM 843 O GLU A 54 7.275 -7.156 3.568 1.00 0.00 O ATOM 844 CB GLU A 54 8.064 -10.159 2.221 1.00 0.00 C ATOM 845 CG GLU A 54 9.392 -10.623 1.646 1.00 0.00 C ATOM 846 CD GLU A 54 10.039 -9.580 0.756 1.00 0.00 C ATOM 847 OE1 GLU A 54 9.348 -8.611 0.377 1.00 0.00 O ATOM 848 OE2 GLU A 54 11.238 -9.732 0.440 1.00 0.00 O ATOM 0 H GLU A 54 8.293 -11.268 4.419 1.00 0.00 H new ATOM 0 HA GLU A 54 9.145 -8.826 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.430 -11.028 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.556 -9.537 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.071 -10.870 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.236 -11.537 1.074 1.00 0.00 H new ATOM 855 N ILE A 55 5.849 -8.875 3.845 1.00 0.00 N ATOM 856 CA ILE A 55 4.675 -8.022 3.979 1.00 0.00 C ATOM 857 C ILE A 55 4.710 -7.242 5.290 1.00 0.00 C ATOM 858 O ILE A 55 4.930 -6.031 5.297 1.00 0.00 O ATOM 859 CB ILE A 55 3.373 -8.842 3.918 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.342 -9.695 2.648 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.164 -7.921 3.973 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.224 -10.713 2.631 1.00 0.00 C ATOM 0 H ILE A 55 5.655 -9.874 3.914 1.00 0.00 H new ATOM 0 HA ILE A 55 4.695 -7.324 3.142 1.00 0.00 H new ATOM 0 HB ILE A 55 3.338 -9.507 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.239 -9.040 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.296 -10.213 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.251 -8.515 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.182 -7.352 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.191 -7.234 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.263 -11.281 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.337 -11.392 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.264 -10.201 2.703 1.00 0.00 H new ATOM 874 N ASP A 56 4.492 -7.945 6.396 1.00 0.00 N ATOM 875 CA ASP A 56 4.502 -7.320 7.713 1.00 0.00 C ATOM 876 C ASP A 56 5.588 -6.252 7.801 1.00 0.00 C ATOM 877 O ASP A 56 5.405 -5.217 8.440 1.00 0.00 O ATOM 878 CB ASP A 56 4.716 -8.374 8.800 1.00 0.00 C ATOM 879 CG ASP A 56 4.746 -7.773 10.192 1.00 0.00 C ATOM 880 OD1 ASP A 56 5.843 -7.389 10.648 1.00 0.00 O ATOM 881 OD2 ASP A 56 3.673 -7.687 10.825 1.00 0.00 O ATOM 0 H ASP A 56 4.306 -8.948 6.406 1.00 0.00 H new ATOM 0 HA ASP A 56 3.535 -6.842 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.919 -9.116 8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.653 -8.899 8.614 1.00 0.00 H new ATOM 886 N ALA A 57 6.720 -6.513 7.154 1.00 0.00 N ATOM 887 CA ALA A 57 7.835 -5.575 7.158 1.00 0.00 C ATOM 888 C ALA A 57 7.510 -4.332 6.337 1.00 0.00 C ATOM 889 O ALA A 57 7.685 -3.206 6.802 1.00 0.00 O ATOM 890 CB ALA A 57 9.093 -6.247 6.627 1.00 0.00 C ATOM 0 H ALA A 57 6.888 -7.366 6.621 1.00 0.00 H new ATOM 0 HA ALA A 57 8.011 -5.263 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.918 -5.534 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.344 -7.100 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.920 -6.589 5.607 1.00 0.00 H new ATOM 896 N TRP A 58 7.038 -4.544 5.114 1.00 0.00 N ATOM 897 CA TRP A 58 6.689 -3.440 4.227 1.00 0.00 C ATOM 898 C TRP A 58 5.730 -2.473 4.913 1.00 0.00 C ATOM 899 O TRP A 58 6.029 -1.289 5.063 1.00 0.00 O ATOM 900 CB TRP A 58 6.062 -3.972 2.938 1.00 0.00 C ATOM 901 CG TRP A 58 5.824 -2.908 1.909 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.723 -2.438 0.995 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.610 -2.182 1.692 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.140 -1.462 0.222 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.844 -1.288 0.629 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.347 -2.202 2.290 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.861 -0.422 0.155 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.373 -1.342 1.819 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.634 -0.463 0.760 1.00 0.00 C ATOM 0 H TRP A 58 6.888 -5.470 4.714 1.00 0.00 H new ATOM 0 HA TRP A 58 7.604 -2.901 3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.713 -4.737 2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.115 -4.455 3.176 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.742 -2.782 0.894 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.598 -0.951 -0.532 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.136 -2.878 3.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.060 0.257 -0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.394 -1.348 2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.851 0.196 0.414 1.00 0.00 H new ATOM 920 N PHE A 59 4.576 -2.986 5.326 1.00 0.00 N ATOM 921 CA PHE A 59 3.572 -2.167 5.996 1.00 0.00 C ATOM 922 C PHE A 59 4.220 -1.242 7.021 1.00 0.00 C ATOM 923 O PHE A 59 3.895 -0.057 7.099 1.00 0.00 O ATOM 924 CB PHE A 59 2.531 -3.056 6.680 1.00 0.00 C ATOM 925 CG PHE A 59 1.429 -3.503 5.763 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.717 -4.185 4.592 1.00 0.00 C ATOM 927 CD2 PHE A 59 0.104 -3.242 6.072 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.705 -4.596 3.746 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.913 -3.652 5.231 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.612 -4.331 4.066 1.00 0.00 C ATOM 0 H PHE A 59 4.313 -3.964 5.209 1.00 0.00 H new ATOM 0 HA PHE A 59 3.077 -1.555 5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.029 -3.934 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.097 -2.513 7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.745 -4.398 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.137 -2.712 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.944 -5.124 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.942 -3.442 5.484 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.405 -4.654 3.407 1.00 0.00 H new ATOM 940 N THR A 60 5.139 -1.792 7.808 1.00 0.00 N ATOM 941 CA THR A 60 5.832 -1.019 8.831 1.00 0.00 C ATOM 942 C THR A 60 6.458 0.239 8.239 1.00 0.00 C ATOM 943 O THR A 60 5.994 1.350 8.489 1.00 0.00 O ATOM 944 CB THR A 60 6.932 -1.852 9.516 1.00 0.00 C ATOM 945 OG1 THR A 60 6.414 -3.132 9.892 1.00 0.00 O ATOM 946 CG2 THR A 60 7.467 -1.134 10.746 1.00 0.00 C ATOM 0 H THR A 60 5.421 -2.771 7.756 1.00 0.00 H new ATOM 0 HA THR A 60 5.086 -0.736 9.573 1.00 0.00 H new ATOM 0 HB THR A 60 7.750 -1.986 8.808 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.409 -3.725 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.242 -1.741 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.887 -0.172 10.452 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.655 -0.974 11.456 1.00 0.00 H new ATOM 954 N GLU A 61 7.514 0.055 7.451 1.00 0.00 N ATOM 955 CA GLU A 61 8.202 1.177 6.824 1.00 0.00 C ATOM 956 C GLU A 61 7.204 2.215 6.321 1.00 0.00 C ATOM 957 O GLU A 61 7.330 3.406 6.610 1.00 0.00 O ATOM 958 CB GLU A 61 9.072 0.686 5.665 1.00 0.00 C ATOM 959 CG GLU A 61 8.390 0.778 4.310 1.00 0.00 C ATOM 960 CD GLU A 61 9.321 0.435 3.164 1.00 0.00 C ATOM 961 OE1 GLU A 61 10.118 -0.515 3.311 1.00 0.00 O ATOM 962 OE2 GLU A 61 9.253 1.117 2.120 1.00 0.00 O ATOM 0 H GLU A 61 7.910 -0.859 7.232 1.00 0.00 H new ATOM 0 HA GLU A 61 8.839 1.645 7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.992 1.270 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.357 -0.350 5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.534 0.104 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.004 1.788 4.170 1.00 0.00 H new ATOM 969 N LYS A 62 6.212 1.756 5.565 1.00 0.00 N ATOM 970 CA LYS A 62 5.190 2.643 5.021 1.00 0.00 C ATOM 971 C LYS A 62 4.764 3.681 6.055 1.00 0.00 C ATOM 972 O LYS A 62 4.745 4.880 5.775 1.00 0.00 O ATOM 973 CB LYS A 62 3.974 1.835 4.564 1.00 0.00 C ATOM 974 CG LYS A 62 3.220 2.471 3.410 1.00 0.00 C ATOM 975 CD LYS A 62 4.035 2.445 2.128 1.00 0.00 C ATOM 976 CE LYS A 62 3.200 2.862 0.927 1.00 0.00 C ATOM 977 NZ LYS A 62 4.031 3.496 -0.133 1.00 0.00 N ATOM 0 H LYS A 62 6.094 0.774 5.315 1.00 0.00 H new ATOM 0 HA LYS A 62 5.616 3.163 4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.301 0.838 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.294 1.710 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.279 1.943 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.970 3.502 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.891 3.113 2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.430 1.442 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.692 1.989 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.426 3.559 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.425 3.766 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.496 4.344 0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.754 2.822 -0.457 1.00 0.00 H new ATOM 991 N LYS A 63 4.425 3.213 7.251 1.00 0.00 N ATOM 992 CA LYS A 63 4.002 4.100 8.328 1.00 0.00 C ATOM 993 C LYS A 63 4.910 5.323 8.415 1.00 0.00 C ATOM 994 O LYS A 63 4.447 6.438 8.656 1.00 0.00 O ATOM 995 CB LYS A 63 4.006 3.353 9.664 1.00 0.00 C ATOM 996 CG LYS A 63 3.019 2.200 9.718 1.00 0.00 C ATOM 997 CD LYS A 63 3.150 1.414 11.012 1.00 0.00 C ATOM 998 CE LYS A 63 2.015 0.415 11.175 1.00 0.00 C ATOM 999 NZ LYS A 63 2.300 -0.579 12.246 1.00 0.00 N ATOM 0 H LYS A 63 4.435 2.224 7.499 1.00 0.00 H new ATOM 0 HA LYS A 63 2.988 4.437 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.009 2.971 9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.775 4.056 10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.003 2.585 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.186 1.536 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.104 0.887 11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.155 2.102 11.858 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.093 0.948 11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.851 -0.105 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.503 -1.242 12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.165 -1.105 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.431 -0.085 13.152 1.00 0.00 H new