USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=11 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=-0.00939 USER MOD Single : A 22 GLN : amide:sc= 0.318 K(o=0.32,f=-0.72) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 29 SER OG : rot -90:sc= -1.05 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 SER OG : rot 180:sc= -0.211 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.904 USER MOD Single : A 42 ASN : amide:sc= 0.0243 X(o=0.024,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.315 K(o=-0.32,f=-1) USER MOD Single : A 48 THR OG1 : rot -73:sc= 1.11 USER MOD Single : A 49 LYS NZ :NH3+ 146:sc= -0.677 (180deg=-2.16!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0346 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 0.275 (180deg=0.0202) USER MOD ----------------------------------------------------------------- ATOM 258 N THR A 19 7.495 -5.938 -6.966 1.00 0.00 N ATOM 259 CA THR A 19 7.123 -5.464 -8.294 1.00 0.00 C ATOM 260 C THR A 19 5.829 -4.659 -8.247 1.00 0.00 C ATOM 261 O THR A 19 5.022 -4.815 -7.331 1.00 0.00 O ATOM 262 CB THR A 19 6.950 -6.635 -9.280 1.00 0.00 C ATOM 263 OG1 THR A 19 6.737 -6.133 -10.604 1.00 0.00 O ATOM 264 CG2 THR A 19 5.781 -7.518 -8.872 1.00 0.00 C ATOM 0 HA THR A 19 7.934 -4.824 -8.640 1.00 0.00 H new ATOM 0 HB THR A 19 7.860 -7.234 -9.262 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.630 -6.883 -11.225 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.679 -8.338 -9.583 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.961 -7.922 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.865 -6.928 -8.864 1.00 0.00 H new ATOM 272 N ALA A 20 5.638 -3.798 -9.241 1.00 0.00 N ATOM 273 CA ALA A 20 4.440 -2.970 -9.315 1.00 0.00 C ATOM 274 C ALA A 20 3.193 -3.776 -8.968 1.00 0.00 C ATOM 275 O ALA A 20 2.374 -3.349 -8.155 1.00 0.00 O ATOM 276 CB ALA A 20 4.306 -2.358 -10.701 1.00 0.00 C ATOM 0 H ALA A 20 6.297 -3.655 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 20 4.537 -2.168 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.407 -1.743 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.179 -1.740 -10.912 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.236 -3.152 -11.444 1.00 0.00 H new ATOM 282 N GLU A 21 3.057 -4.943 -9.589 1.00 0.00 N ATOM 283 CA GLU A 21 1.908 -5.808 -9.346 1.00 0.00 C ATOM 284 C GLU A 21 1.725 -6.063 -7.852 1.00 0.00 C ATOM 285 O GLU A 21 0.635 -5.884 -7.311 1.00 0.00 O ATOM 286 CB GLU A 21 2.077 -7.137 -10.084 1.00 0.00 C ATOM 287 CG GLU A 21 0.823 -7.996 -10.085 1.00 0.00 C ATOM 288 CD GLU A 21 1.078 -9.400 -10.600 1.00 0.00 C ATOM 289 OE1 GLU A 21 1.417 -10.279 -9.780 1.00 0.00 O ATOM 290 OE2 GLU A 21 0.940 -9.619 -11.821 1.00 0.00 O ATOM 0 H GLU A 21 3.727 -5.311 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 21 1.019 -5.302 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.371 -6.936 -11.114 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.891 -7.697 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.424 -8.051 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.061 -7.519 -10.702 1.00 0.00 H new ATOM 297 N GLN A 22 2.801 -6.481 -7.194 1.00 0.00 N ATOM 298 CA GLN A 22 2.759 -6.762 -5.763 1.00 0.00 C ATOM 299 C GLN A 22 2.375 -5.515 -4.975 1.00 0.00 C ATOM 300 O GLN A 22 1.496 -5.558 -4.114 1.00 0.00 O ATOM 301 CB GLN A 22 4.115 -7.285 -5.285 1.00 0.00 C ATOM 302 CG GLN A 22 4.389 -8.725 -5.689 1.00 0.00 C ATOM 303 CD GLN A 22 5.717 -9.235 -5.165 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.672 -8.473 -5.015 1.00 0.00 O ATOM 305 NE2 GLN A 22 5.784 -10.531 -4.885 1.00 0.00 N ATOM 0 H GLN A 22 3.712 -6.633 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 22 2.001 -7.526 -5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.903 -6.648 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.163 -7.206 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.587 -9.362 -5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.378 -8.802 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.967 -11.126 -5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.652 -10.932 -4.530 1.00 0.00 H new ATOM 314 N LEU A 23 3.040 -4.404 -5.274 1.00 0.00 N ATOM 315 CA LEU A 23 2.768 -3.143 -4.592 1.00 0.00 C ATOM 316 C LEU A 23 1.300 -2.754 -4.731 1.00 0.00 C ATOM 317 O LEU A 23 0.594 -2.591 -3.735 1.00 0.00 O ATOM 318 CB LEU A 23 3.657 -2.033 -5.158 1.00 0.00 C ATOM 319 CG LEU A 23 5.082 -1.969 -4.608 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.899 -0.931 -5.361 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.065 -1.659 -3.118 1.00 0.00 C ATOM 0 H LEU A 23 3.771 -4.351 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 23 2.991 -3.275 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.712 -2.155 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.173 -1.075 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 23 5.550 -2.943 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.910 -0.900 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.940 -1.196 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.434 0.048 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.088 -1.617 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.578 -0.698 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.517 -2.439 -2.590 1.00 0.00 H new ATOM 333 N ARG A 24 0.846 -2.610 -5.972 1.00 0.00 N ATOM 334 CA ARG A 24 -0.539 -2.242 -6.240 1.00 0.00 C ATOM 335 C ARG A 24 -1.475 -2.850 -5.200 1.00 0.00 C ATOM 336 O ARG A 24 -2.442 -2.217 -4.774 1.00 0.00 O ATOM 337 CB ARG A 24 -0.949 -2.701 -7.641 1.00 0.00 C ATOM 338 CG ARG A 24 -2.434 -2.545 -7.923 1.00 0.00 C ATOM 339 CD ARG A 24 -2.740 -2.712 -9.403 1.00 0.00 C ATOM 340 NE ARG A 24 -4.047 -2.165 -9.757 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.676 -2.441 -10.894 1.00 0.00 C ATOM 342 NH1 ARG A 24 -4.121 -3.253 -11.782 1.00 0.00 N ATOM 343 NH2 ARG A 24 -5.864 -1.904 -11.144 1.00 0.00 N ATOM 0 H ARG A 24 1.417 -2.742 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.617 -1.156 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.386 -2.131 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.672 -3.748 -7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.994 -3.283 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.768 -1.562 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.968 -2.216 -9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.707 -3.770 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.502 -1.536 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.209 -3.668 -11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.606 -3.463 -12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.295 -1.279 -10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.346 -2.117 -12.017 1.00 0.00 H new ATOM 357 N VAL A 25 -1.181 -4.081 -4.795 1.00 0.00 N ATOM 358 CA VAL A 25 -1.996 -4.775 -3.804 1.00 0.00 C ATOM 359 C VAL A 25 -1.692 -4.275 -2.396 1.00 0.00 C ATOM 360 O VAL A 25 -2.534 -3.648 -1.752 1.00 0.00 O ATOM 361 CB VAL A 25 -1.769 -6.297 -3.857 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.584 -6.997 -2.780 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.115 -6.839 -5.236 1.00 0.00 C ATOM 0 H VAL A 25 -0.385 -4.619 -5.137 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.038 -4.562 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.714 -6.496 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.410 -8.072 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.283 -6.629 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.643 -6.792 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.949 -7.916 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.161 -6.629 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.483 -6.361 -5.984 1.00 0.00 H new ATOM 373 N LEU A 26 -0.483 -4.557 -1.923 1.00 0.00 N ATOM 374 CA LEU A 26 -0.066 -4.137 -0.590 1.00 0.00 C ATOM 375 C LEU A 26 -0.506 -2.703 -0.309 1.00 0.00 C ATOM 376 O LEU A 26 -1.111 -2.422 0.726 1.00 0.00 O ATOM 377 CB LEU A 26 1.453 -4.253 -0.449 1.00 0.00 C ATOM 378 CG LEU A 26 2.037 -5.656 -0.615 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.472 -5.581 -1.112 1.00 0.00 C ATOM 380 CD2 LEU A 26 1.965 -6.422 0.698 1.00 0.00 C ATOM 0 H LEU A 26 0.226 -5.075 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.543 -4.794 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.917 -3.598 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.736 -3.877 0.534 1.00 0.00 H new ATOM 0 HG LEU A 26 1.444 -6.190 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.871 -6.589 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.497 -5.071 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.078 -5.029 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.385 -7.419 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.533 -5.890 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.925 -6.507 1.013 1.00 0.00 H new ATOM 392 N GLN A 27 -0.200 -1.803 -1.237 1.00 0.00 N ATOM 393 CA GLN A 27 -0.566 -0.399 -1.089 1.00 0.00 C ATOM 394 C GLN A 27 -2.067 -0.248 -0.870 1.00 0.00 C ATOM 395 O GLN A 27 -2.504 0.467 0.031 1.00 0.00 O ATOM 396 CB GLN A 27 -0.136 0.395 -2.324 1.00 0.00 C ATOM 397 CG GLN A 27 0.210 1.845 -2.025 1.00 0.00 C ATOM 398 CD GLN A 27 -0.054 2.762 -3.203 1.00 0.00 C ATOM 399 OE1 GLN A 27 -1.149 3.509 -3.138 1.00 0.00 O flip ATOM 400 NE2 GLN A 27 0.719 2.798 -4.161 1.00 0.00 N flip ATOM 0 H GLN A 27 0.300 -2.020 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.049 -0.005 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.729 -0.091 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.938 0.366 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.372 2.184 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.261 1.913 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.549 2.206 -4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.529 3.420 -4.947 1.00 0.00 H new ATOM 409 N ALA A 28 -2.853 -0.927 -1.700 1.00 0.00 N ATOM 410 CA ALA A 28 -4.305 -0.870 -1.595 1.00 0.00 C ATOM 411 C ALA A 28 -4.778 -1.359 -0.230 1.00 0.00 C ATOM 412 O ALA A 28 -5.744 -0.838 0.326 1.00 0.00 O ATOM 413 CB ALA A 28 -4.947 -1.691 -2.704 1.00 0.00 C ATOM 0 H ALA A 28 -2.508 -1.523 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.611 0.170 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.032 -1.639 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.645 -1.293 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.625 -2.729 -2.621 1.00 0.00 H new ATOM 419 N SER A 29 -4.090 -2.364 0.303 1.00 0.00 N ATOM 420 CA SER A 29 -4.442 -2.927 1.601 1.00 0.00 C ATOM 421 C SER A 29 -3.982 -2.013 2.733 1.00 0.00 C ATOM 422 O SER A 29 -4.798 -1.452 3.465 1.00 0.00 O ATOM 423 CB SER A 29 -3.819 -4.314 1.766 1.00 0.00 C ATOM 424 OG SER A 29 -4.438 -5.030 2.820 1.00 0.00 O ATOM 0 H SER A 29 -3.286 -2.805 -0.144 1.00 0.00 H new ATOM 0 HA SER A 29 -5.527 -3.016 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.918 -4.873 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.752 -4.215 1.967 1.00 0.00 H new ATOM 0 HG SER A 29 -3.968 -4.847 3.660 1.00 0.00 H new ATOM 430 N PHE A 30 -2.668 -1.867 2.870 1.00 0.00 N ATOM 431 CA PHE A 30 -2.098 -1.022 3.913 1.00 0.00 C ATOM 432 C PHE A 30 -2.912 0.258 4.082 1.00 0.00 C ATOM 433 O PHE A 30 -3.220 0.667 5.202 1.00 0.00 O ATOM 434 CB PHE A 30 -0.645 -0.675 3.579 1.00 0.00 C ATOM 435 CG PHE A 30 -0.110 0.486 4.367 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.209 0.342 5.708 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.074 1.721 3.767 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.701 1.409 6.435 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.566 2.792 4.490 1.00 0.00 C ATOM 440 CZ PHE A 30 0.881 2.636 5.825 1.00 0.00 C ATOM 0 H PHE A 30 -1.978 -2.323 2.272 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.127 -1.576 4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.020 -1.548 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.569 -0.448 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.072 -0.615 6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.170 1.849 2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.945 1.284 7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.704 3.750 4.011 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.267 3.471 6.391 1.00 0.00 H new ATOM 450 N LEU A 31 -3.255 0.885 2.963 1.00 0.00 N ATOM 451 CA LEU A 31 -4.033 2.119 2.986 1.00 0.00 C ATOM 452 C LEU A 31 -5.246 1.981 3.901 1.00 0.00 C ATOM 453 O LEU A 31 -5.438 2.780 4.817 1.00 0.00 O ATOM 454 CB LEU A 31 -4.486 2.486 1.571 1.00 0.00 C ATOM 455 CG LEU A 31 -3.464 3.229 0.711 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.919 3.273 -0.740 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.240 4.636 1.244 1.00 0.00 C ATOM 0 H LEU A 31 -3.007 0.560 2.029 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.396 2.914 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.770 1.570 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.383 3.101 1.646 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.518 2.690 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.179 3.806 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.027 2.257 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.877 3.788 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.509 5.150 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.181 5.185 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.868 4.583 2.267 1.00 0.00 H new ATOM 469 N ASN A 32 -6.060 0.962 3.647 1.00 0.00 N ATOM 470 CA ASN A 32 -7.253 0.718 4.449 1.00 0.00 C ATOM 471 C ASN A 32 -6.950 0.873 5.936 1.00 0.00 C ATOM 472 O ASN A 32 -7.659 1.577 6.655 1.00 0.00 O ATOM 473 CB ASN A 32 -7.802 -0.683 4.172 1.00 0.00 C ATOM 474 CG ASN A 32 -9.147 -0.918 4.833 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.847 0.027 5.195 1.00 0.00 O ATOM 476 ND2 ASN A 32 -9.513 -2.184 4.993 1.00 0.00 N ATOM 0 H ASN A 32 -5.915 0.292 2.892 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.005 1.457 4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.899 -0.826 3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.090 -1.427 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.407 -2.405 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.900 -2.936 4.677 1.00 0.00 H new ATOM 483 N SER A 33 -5.891 0.210 6.390 1.00 0.00 N ATOM 484 CA SER A 33 -5.495 0.270 7.792 1.00 0.00 C ATOM 485 C SER A 33 -3.999 0.013 7.946 1.00 0.00 C ATOM 486 O SER A 33 -3.474 -0.980 7.442 1.00 0.00 O ATOM 487 CB SER A 33 -6.287 -0.750 8.612 1.00 0.00 C ATOM 488 OG SER A 33 -6.278 -0.415 9.989 1.00 0.00 O ATOM 0 H SER A 33 -5.292 -0.375 5.807 1.00 0.00 H new ATOM 0 HA SER A 33 -5.713 1.271 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.315 -0.792 8.251 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.860 -1.743 8.473 1.00 0.00 H new ATOM 0 HG SER A 33 -6.792 -1.081 10.491 1.00 0.00 H new ATOM 494 N SER A 34 -3.319 0.915 8.646 1.00 0.00 N ATOM 495 CA SER A 34 -1.882 0.789 8.864 1.00 0.00 C ATOM 496 C SER A 34 -1.555 -0.514 9.588 1.00 0.00 C ATOM 497 O SER A 34 -0.532 -1.145 9.323 1.00 0.00 O ATOM 498 CB SER A 34 -1.361 1.979 9.671 1.00 0.00 C ATOM 499 OG SER A 34 -1.884 1.971 10.988 1.00 0.00 O ATOM 0 H SER A 34 -3.739 1.741 9.072 1.00 0.00 H new ATOM 0 HA SER A 34 -1.391 0.777 7.891 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.272 1.948 9.709 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.636 2.909 9.173 1.00 0.00 H new ATOM 0 HG SER A 34 -1.534 2.741 11.484 1.00 0.00 H new ATOM 505 N VAL A 35 -2.433 -0.911 10.504 1.00 0.00 N ATOM 506 CA VAL A 35 -2.239 -2.138 11.267 1.00 0.00 C ATOM 507 C VAL A 35 -2.643 -3.361 10.452 1.00 0.00 C ATOM 508 O VAL A 35 -3.727 -3.401 9.867 1.00 0.00 O ATOM 509 CB VAL A 35 -3.048 -2.118 12.578 1.00 0.00 C ATOM 510 CG1 VAL A 35 -2.606 -0.961 13.461 1.00 0.00 C ATOM 511 CG2 VAL A 35 -4.538 -2.035 12.282 1.00 0.00 C ATOM 0 H VAL A 35 -3.285 -0.401 10.735 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.177 -2.198 11.505 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.859 -3.047 13.116 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.189 -0.963 14.382 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.548 -1.069 13.700 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.764 -0.020 12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.095 -2.022 13.219 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.748 -1.123 11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.841 -2.900 11.692 1.00 0.00 H new ATOM 521 N LEU A 36 -1.767 -4.359 10.418 1.00 0.00 N ATOM 522 CA LEU A 36 -2.032 -5.585 9.674 1.00 0.00 C ATOM 523 C LEU A 36 -2.723 -6.619 10.558 1.00 0.00 C ATOM 524 O LEU A 36 -2.272 -6.906 11.667 1.00 0.00 O ATOM 525 CB LEU A 36 -0.728 -6.162 9.120 1.00 0.00 C ATOM 526 CG LEU A 36 -0.873 -7.245 8.051 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.521 -6.675 6.799 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.482 -7.855 7.723 1.00 0.00 C ATOM 0 H LEU A 36 -0.867 -4.343 10.897 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.695 -5.341 8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.141 -5.344 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.155 -6.574 9.951 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.518 -8.032 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.616 -7.460 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.509 -6.287 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.903 -5.869 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.360 -8.624 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.150 -7.078 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.908 -8.300 8.622 1.00 0.00 H new ATOM 540 N THR A 37 -3.821 -7.178 10.058 1.00 0.00 N ATOM 541 CA THR A 37 -4.574 -8.180 10.800 1.00 0.00 C ATOM 542 C THR A 37 -4.180 -9.590 10.377 1.00 0.00 C ATOM 543 O THR A 37 -4.123 -9.898 9.186 1.00 0.00 O ATOM 544 CB THR A 37 -6.092 -8.003 10.603 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.408 -8.007 9.206 1.00 0.00 O ATOM 546 CG2 THR A 37 -6.571 -6.704 11.233 1.00 0.00 C ATOM 0 H THR A 37 -4.208 -6.953 9.142 1.00 0.00 H new ATOM 0 HA THR A 37 -4.333 -8.039 11.854 1.00 0.00 H new ATOM 0 HB THR A 37 -6.600 -8.834 11.092 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.375 -7.896 9.089 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.645 -6.601 11.081 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.355 -6.716 12.301 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.056 -5.863 10.768 1.00 0.00 H new ATOM 554 N ASP A 38 -3.908 -10.444 11.358 1.00 0.00 N ATOM 555 CA ASP A 38 -3.520 -11.823 11.086 1.00 0.00 C ATOM 556 C ASP A 38 -4.238 -12.356 9.850 1.00 0.00 C ATOM 557 O ASP A 38 -3.623 -12.975 8.982 1.00 0.00 O ATOM 558 CB ASP A 38 -3.831 -12.710 12.293 1.00 0.00 C ATOM 559 CG ASP A 38 -3.212 -14.089 12.172 1.00 0.00 C ATOM 560 OD1 ASP A 38 -3.393 -14.730 11.116 1.00 0.00 O ATOM 561 OD2 ASP A 38 -2.547 -14.526 13.134 1.00 0.00 O ATOM 0 H ASP A 38 -3.949 -10.205 12.349 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.447 -11.842 10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.463 -12.228 13.199 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.911 -12.808 12.400 1.00 0.00 H new ATOM 566 N GLU A 39 -5.543 -12.111 9.778 1.00 0.00 N ATOM 567 CA GLU A 39 -6.344 -12.569 8.648 1.00 0.00 C ATOM 568 C GLU A 39 -5.867 -11.928 7.348 1.00 0.00 C ATOM 569 O GLU A 39 -5.445 -12.620 6.422 1.00 0.00 O ATOM 570 CB GLU A 39 -7.821 -12.245 8.877 1.00 0.00 C ATOM 571 CG GLU A 39 -8.210 -12.183 10.345 1.00 0.00 C ATOM 572 CD GLU A 39 -9.652 -12.589 10.584 1.00 0.00 C ATOM 573 OE1 GLU A 39 -10.497 -12.322 9.705 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.934 -13.174 11.651 1.00 0.00 O ATOM 0 H GLU A 39 -6.067 -11.599 10.487 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.225 -13.649 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.051 -11.288 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.431 -12.999 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.553 -12.836 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.056 -11.170 10.716 1.00 0.00 H new ATOM 581 N GLU A 40 -5.938 -10.602 7.288 1.00 0.00 N ATOM 582 CA GLU A 40 -5.515 -9.868 6.101 1.00 0.00 C ATOM 583 C GLU A 40 -4.144 -10.343 5.627 1.00 0.00 C ATOM 584 O GLU A 40 -3.960 -10.675 4.456 1.00 0.00 O ATOM 585 CB GLU A 40 -5.474 -8.366 6.391 1.00 0.00 C ATOM 586 CG GLU A 40 -4.629 -7.578 5.404 1.00 0.00 C ATOM 587 CD GLU A 40 -5.104 -6.148 5.240 1.00 0.00 C ATOM 588 OE1 GLU A 40 -6.252 -5.953 4.787 1.00 0.00 O ATOM 589 OE2 GLU A 40 -4.330 -5.224 5.564 1.00 0.00 O ATOM 0 H GLU A 40 -6.284 -10.015 8.047 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.240 -10.059 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.491 -7.974 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.084 -8.209 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.592 -7.576 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.649 -8.077 4.435 1.00 0.00 H new ATOM 596 N LEU A 41 -3.185 -10.371 6.546 1.00 0.00 N ATOM 597 CA LEU A 41 -1.830 -10.805 6.223 1.00 0.00 C ATOM 598 C LEU A 41 -1.851 -12.029 5.314 1.00 0.00 C ATOM 599 O LEU A 41 -1.217 -12.043 4.260 1.00 0.00 O ATOM 600 CB LEU A 41 -1.055 -11.120 7.505 1.00 0.00 C ATOM 601 CG LEU A 41 0.464 -11.216 7.364 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.127 -11.228 8.733 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.849 -12.457 6.572 1.00 0.00 C ATOM 0 H LEU A 41 -3.320 -10.099 7.520 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.332 -9.993 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.284 -10.350 8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.423 -12.065 7.906 1.00 0.00 H new ATOM 0 HG LEU A 41 0.815 -10.339 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.208 -11.297 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.879 -10.310 9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.770 -12.086 9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.934 -12.509 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.485 -13.345 7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.404 -12.407 5.578 1.00 0.00 H new ATOM 615 N ASN A 42 -2.588 -13.055 5.729 1.00 0.00 N ATOM 616 CA ASN A 42 -2.694 -14.284 4.951 1.00 0.00 C ATOM 617 C ASN A 42 -3.061 -13.980 3.502 1.00 0.00 C ATOM 618 O ASN A 42 -2.299 -14.280 2.582 1.00 0.00 O ATOM 619 CB ASN A 42 -3.739 -15.215 5.569 1.00 0.00 C ATOM 620 CG ASN A 42 -3.161 -16.086 6.668 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.381 -17.001 6.404 1.00 0.00 O ATOM 622 ND2 ASN A 42 -3.541 -15.803 7.909 1.00 0.00 N ATOM 0 H ASN A 42 -3.120 -13.059 6.599 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.723 -14.779 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.558 -14.620 5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.161 -15.850 4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.184 -16.354 8.690 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.190 -15.035 8.081 1.00 0.00 H new ATOM 629 N ARG A 43 -4.232 -13.384 3.306 1.00 0.00 N ATOM 630 CA ARG A 43 -4.700 -13.040 1.969 1.00 0.00 C ATOM 631 C ARG A 43 -3.562 -12.478 1.122 1.00 0.00 C ATOM 632 O ARG A 43 -3.234 -13.019 0.066 1.00 0.00 O ATOM 633 CB ARG A 43 -5.840 -12.023 2.050 1.00 0.00 C ATOM 634 CG ARG A 43 -7.192 -12.647 2.354 1.00 0.00 C ATOM 635 CD ARG A 43 -8.205 -11.599 2.790 1.00 0.00 C ATOM 636 NE ARG A 43 -9.370 -12.199 3.434 1.00 0.00 N ATOM 637 CZ ARG A 43 -10.344 -12.809 2.768 1.00 0.00 C ATOM 638 NH1 ARG A 43 -10.293 -12.901 1.447 1.00 0.00 N ATOM 639 NH2 ARG A 43 -11.373 -13.330 3.425 1.00 0.00 N ATOM 0 H ARG A 43 -4.874 -13.129 4.056 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.067 -13.950 1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.607 -11.289 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.902 -11.484 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.562 -13.166 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.080 -13.395 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.730 -10.900 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.527 -11.023 1.922 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.440 -12.147 4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.504 -12.503 0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.043 -13.370 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.416 -13.262 4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.121 -13.798 2.913 1.00 0.00 H new ATOM 653 N LEU A 44 -2.964 -11.389 1.593 1.00 0.00 N ATOM 654 CA LEU A 44 -1.863 -10.752 0.879 1.00 0.00 C ATOM 655 C LEU A 44 -0.733 -11.744 0.624 1.00 0.00 C ATOM 656 O LEU A 44 -0.086 -11.708 -0.423 1.00 0.00 O ATOM 657 CB LEU A 44 -1.337 -9.556 1.675 1.00 0.00 C ATOM 658 CG LEU A 44 -2.361 -8.473 2.015 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.887 -7.642 3.197 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.618 -7.585 0.806 1.00 0.00 C ATOM 0 H LEU A 44 -3.223 -10.929 2.466 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.240 -10.403 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.906 -9.926 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.527 -9.097 1.109 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.297 -8.959 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.629 -6.876 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.754 -8.287 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.938 -7.166 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.349 -6.820 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.687 -7.108 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.002 -8.190 -0.015 1.00 0.00 H new ATOM 672 N ARG A 45 -0.503 -12.631 1.587 1.00 0.00 N ATOM 673 CA ARG A 45 0.548 -13.635 1.466 1.00 0.00 C ATOM 674 C ARG A 45 0.377 -14.449 0.187 1.00 0.00 C ATOM 675 O ARG A 45 1.351 -14.939 -0.383 1.00 0.00 O ATOM 676 CB ARG A 45 0.537 -14.564 2.681 1.00 0.00 C ATOM 677 CG ARG A 45 1.906 -15.124 3.032 1.00 0.00 C ATOM 678 CD ARG A 45 1.925 -15.713 4.433 1.00 0.00 C ATOM 679 NE ARG A 45 1.517 -17.115 4.443 1.00 0.00 N ATOM 680 CZ ARG A 45 2.248 -18.096 3.925 1.00 0.00 C ATOM 681 NH1 ARG A 45 3.417 -17.829 3.360 1.00 0.00 N ATOM 682 NH2 ARG A 45 1.809 -19.348 3.972 1.00 0.00 N ATOM 0 H ARG A 45 -1.030 -12.675 2.459 1.00 0.00 H new ATOM 0 HA ARG A 45 1.507 -13.118 1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.145 -14.020 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.146 -15.391 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.182 -15.892 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.653 -14.334 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.928 -15.625 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.260 -15.137 5.077 1.00 0.00 H new ATOM 0 HE ARG A 45 0.622 -17.354 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.758 -16.868 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.976 -18.584 2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.910 -19.557 4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.371 -20.101 3.574 1.00 0.00 H new ATOM 696 N ALA A 46 -0.868 -14.590 -0.257 1.00 0.00 N ATOM 697 CA ALA A 46 -1.166 -15.344 -1.468 1.00 0.00 C ATOM 698 C ALA A 46 -1.200 -14.431 -2.689 1.00 0.00 C ATOM 699 O ALA A 46 -0.546 -14.701 -3.695 1.00 0.00 O ATOM 700 CB ALA A 46 -2.490 -16.080 -1.319 1.00 0.00 C ATOM 0 H ALA A 46 -1.686 -14.192 0.204 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.371 -16.075 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.700 -16.639 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.430 -16.769 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.289 -15.360 -1.143 1.00 0.00 H new ATOM 706 N GLN A 47 -1.968 -13.350 -2.592 1.00 0.00 N ATOM 707 CA GLN A 47 -2.088 -12.398 -3.690 1.00 0.00 C ATOM 708 C GLN A 47 -0.714 -11.922 -4.150 1.00 0.00 C ATOM 709 O GLN A 47 -0.383 -11.997 -5.333 1.00 0.00 O ATOM 710 CB GLN A 47 -2.940 -11.201 -3.264 1.00 0.00 C ATOM 711 CG GLN A 47 -4.366 -11.571 -2.889 1.00 0.00 C ATOM 712 CD GLN A 47 -5.094 -12.294 -4.005 1.00 0.00 C ATOM 713 OE1 GLN A 47 -4.874 -13.484 -4.236 1.00 0.00 O ATOM 714 NE2 GLN A 47 -5.966 -11.578 -4.704 1.00 0.00 N ATOM 0 H GLN A 47 -2.516 -13.112 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.575 -12.903 -4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.465 -10.712 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.964 -10.475 -4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.352 -12.203 -2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.915 -10.666 -2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.116 -10.595 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.486 -12.011 -5.467 1.00 0.00 H new ATOM 723 N THR A 48 0.083 -11.430 -3.206 1.00 0.00 N ATOM 724 CA THR A 48 1.420 -10.939 -3.515 1.00 0.00 C ATOM 725 C THR A 48 2.405 -12.092 -3.673 1.00 0.00 C ATOM 726 O THR A 48 3.467 -11.936 -4.276 1.00 0.00 O ATOM 727 CB THR A 48 1.935 -9.986 -2.420 1.00 0.00 C ATOM 728 OG1 THR A 48 2.071 -10.690 -1.181 1.00 0.00 O ATOM 729 CG2 THR A 48 0.989 -8.809 -2.239 1.00 0.00 C ATOM 0 H THR A 48 -0.175 -11.361 -2.221 1.00 0.00 H new ATOM 0 HA THR A 48 1.348 -10.394 -4.456 1.00 0.00 H new ATOM 0 HB THR A 48 2.909 -9.606 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.183 -10.862 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.373 -8.150 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.911 -8.257 -3.176 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.004 -9.175 -1.950 1.00 0.00 H new ATOM 737 N LYS A 49 2.047 -13.250 -3.129 1.00 0.00 N ATOM 738 CA LYS A 49 2.898 -14.431 -3.212 1.00 0.00 C ATOM 739 C LYS A 49 4.231 -14.190 -2.511 1.00 0.00 C ATOM 740 O LYS A 49 5.285 -14.593 -3.005 1.00 0.00 O ATOM 741 CB LYS A 49 3.139 -14.810 -4.675 1.00 0.00 C ATOM 742 CG LYS A 49 1.860 -15.016 -5.468 1.00 0.00 C ATOM 743 CD LYS A 49 1.259 -16.387 -5.210 1.00 0.00 C ATOM 744 CE LYS A 49 1.868 -17.443 -6.119 1.00 0.00 C ATOM 745 NZ LYS A 49 3.174 -17.936 -5.599 1.00 0.00 N ATOM 0 H LYS A 49 1.172 -13.396 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 49 2.387 -15.253 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.730 -14.028 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.731 -15.725 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.137 -14.245 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.068 -14.903 -6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.420 -16.666 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.181 -16.348 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.177 -18.280 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.008 -17.027 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.283 -18.943 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.948 -17.393 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.204 -17.816 -4.566 1.00 0.00 H new ATOM 759 N LEU A 50 4.178 -13.533 -1.358 1.00 0.00 N ATOM 760 CA LEU A 50 5.383 -13.240 -0.589 1.00 0.00 C ATOM 761 C LEU A 50 5.285 -13.822 0.818 1.00 0.00 C ATOM 762 O LEU A 50 4.259 -14.387 1.199 1.00 0.00 O ATOM 763 CB LEU A 50 5.609 -11.729 -0.513 1.00 0.00 C ATOM 764 CG LEU A 50 6.377 -11.106 -1.679 1.00 0.00 C ATOM 765 CD1 LEU A 50 6.272 -9.589 -1.638 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.834 -11.542 -1.651 1.00 0.00 C ATOM 0 H LEU A 50 3.314 -13.193 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 50 6.230 -13.703 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.638 -11.240 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.146 -11.508 0.409 1.00 0.00 H new ATOM 0 HG LEU A 50 5.931 -11.455 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.825 -9.163 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.225 -9.295 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.691 -9.220 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.365 -11.089 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.292 -11.222 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.890 -12.628 -1.730 1.00 0.00 H new ATOM 778 N THR A 51 6.359 -13.680 1.588 1.00 0.00 N ATOM 779 CA THR A 51 6.395 -14.190 2.953 1.00 0.00 C ATOM 780 C THR A 51 5.768 -13.199 3.927 1.00 0.00 C ATOM 781 O THR A 51 5.906 -11.986 3.768 1.00 0.00 O ATOM 782 CB THR A 51 7.837 -14.492 3.403 1.00 0.00 C ATOM 783 OG1 THR A 51 8.622 -13.295 3.366 1.00 0.00 O ATOM 784 CG2 THR A 51 8.471 -15.548 2.511 1.00 0.00 C ATOM 0 H THR A 51 7.216 -13.215 1.289 1.00 0.00 H new ATOM 0 HA THR A 51 5.819 -15.116 2.959 1.00 0.00 H new ATOM 0 HB THR A 51 7.804 -14.873 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.537 -13.495 3.655 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.489 -15.745 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.887 -16.467 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.492 -15.190 1.482 1.00 0.00 H new ATOM 792 N ARG A 52 5.078 -13.723 4.935 1.00 0.00 N ATOM 793 CA ARG A 52 4.429 -12.883 5.935 1.00 0.00 C ATOM 794 C ARG A 52 5.360 -11.764 6.392 1.00 0.00 C ATOM 795 O ARG A 52 4.952 -10.608 6.497 1.00 0.00 O ATOM 796 CB ARG A 52 3.998 -13.726 7.137 1.00 0.00 C ATOM 797 CG ARG A 52 5.148 -14.450 7.817 1.00 0.00 C ATOM 798 CD ARG A 52 4.659 -15.653 8.608 1.00 0.00 C ATOM 799 NE ARG A 52 4.013 -15.260 9.858 1.00 0.00 N ATOM 800 CZ ARG A 52 4.678 -14.983 10.974 1.00 0.00 C ATOM 801 NH1 ARG A 52 6.002 -15.055 10.995 1.00 0.00 N ATOM 802 NH2 ARG A 52 4.019 -14.632 12.071 1.00 0.00 N ATOM 0 H ARG A 52 4.954 -14.725 5.081 1.00 0.00 H new ATOM 0 HA ARG A 52 3.546 -12.434 5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.505 -13.081 7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.261 -14.459 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.869 -14.775 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.669 -13.762 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.957 -16.225 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.501 -16.310 8.826 1.00 0.00 H new ATOM 0 HE ARG A 52 2.995 -15.195 9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.512 -15.323 10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.511 -14.842 11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.001 -14.575 12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.531 -14.420 12.927 1.00 0.00 H new ATOM 816 N ARG A 53 6.612 -12.117 6.663 1.00 0.00 N ATOM 817 CA ARG A 53 7.600 -11.143 7.111 1.00 0.00 C ATOM 818 C ARG A 53 7.739 -10.007 6.102 1.00 0.00 C ATOM 819 O ARG A 53 7.738 -8.833 6.472 1.00 0.00 O ATOM 820 CB ARG A 53 8.956 -11.820 7.322 1.00 0.00 C ATOM 821 CG ARG A 53 10.080 -10.848 7.640 1.00 0.00 C ATOM 822 CD ARG A 53 10.153 -10.549 9.129 1.00 0.00 C ATOM 823 NE ARG A 53 10.434 -11.748 9.915 1.00 0.00 N ATOM 824 CZ ARG A 53 10.941 -11.720 11.142 1.00 0.00 C ATOM 825 NH1 ARG A 53 11.221 -10.561 11.721 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.168 -12.854 11.793 1.00 0.00 N ATOM 0 H ARG A 53 6.966 -13.070 6.580 1.00 0.00 H new ATOM 0 HA ARG A 53 7.258 -10.726 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.870 -12.541 8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.216 -12.381 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.029 -11.266 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.927 -9.920 7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.929 -9.806 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.210 -10.113 9.458 1.00 0.00 H new ATOM 0 HE ARG A 53 10.230 -12.656 9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.047 -9.687 11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.610 -10.543 12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.953 -13.748 11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.557 -12.832 12.735 1.00 0.00 H new ATOM 840 N GLU A 54 7.859 -10.365 4.828 1.00 0.00 N ATOM 841 CA GLU A 54 8.000 -9.374 3.767 1.00 0.00 C ATOM 842 C GLU A 54 6.867 -8.355 3.820 1.00 0.00 C ATOM 843 O GLU A 54 7.104 -7.146 3.812 1.00 0.00 O ATOM 844 CB GLU A 54 8.021 -10.059 2.399 1.00 0.00 C ATOM 845 CG GLU A 54 9.370 -10.659 2.038 1.00 0.00 C ATOM 846 CD GLU A 54 10.275 -9.673 1.325 1.00 0.00 C ATOM 847 OE1 GLU A 54 9.751 -8.711 0.727 1.00 0.00 O ATOM 848 OE2 GLU A 54 11.509 -9.864 1.366 1.00 0.00 O ATOM 0 H GLU A 54 7.861 -11.333 4.505 1.00 0.00 H new ATOM 0 HA GLU A 54 8.944 -8.850 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.267 -10.846 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.739 -9.334 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.863 -11.008 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.217 -11.531 1.403 1.00 0.00 H new ATOM 855 N ILE A 55 5.635 -8.851 3.873 1.00 0.00 N ATOM 856 CA ILE A 55 4.465 -7.983 3.928 1.00 0.00 C ATOM 857 C ILE A 55 4.425 -7.196 5.234 1.00 0.00 C ATOM 858 O ILE A 55 4.521 -5.969 5.233 1.00 0.00 O ATOM 859 CB ILE A 55 3.160 -8.789 3.788 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.152 -9.563 2.468 1.00 0.00 C ATOM 861 CG2 ILE A 55 1.954 -7.865 3.873 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.186 -10.727 2.455 1.00 0.00 C ATOM 0 H ILE A 55 5.421 -9.848 3.879 1.00 0.00 H new ATOM 0 HA ILE A 55 4.547 -7.290 3.091 1.00 0.00 H new ATOM 0 HB ILE A 55 3.103 -9.505 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.896 -8.880 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.157 -9.934 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.040 -8.450 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.954 -7.354 4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.003 -7.128 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.234 -11.229 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.454 -11.431 3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.173 -10.361 2.624 1.00 0.00 H new ATOM 874 N ASP A 56 4.284 -7.910 6.345 1.00 0.00 N ATOM 875 CA ASP A 56 4.234 -7.279 7.658 1.00 0.00 C ATOM 876 C ASP A 56 5.238 -6.134 7.749 1.00 0.00 C ATOM 877 O ASP A 56 4.898 -5.031 8.177 1.00 0.00 O ATOM 878 CB ASP A 56 4.517 -8.309 8.754 1.00 0.00 C ATOM 879 CG ASP A 56 4.522 -7.693 10.139 1.00 0.00 C ATOM 880 OD1 ASP A 56 5.463 -6.933 10.447 1.00 0.00 O ATOM 881 OD2 ASP A 56 3.584 -7.973 10.916 1.00 0.00 O ATOM 0 H ASP A 56 4.202 -8.927 6.362 1.00 0.00 H new ATOM 0 HA ASP A 56 3.232 -6.873 7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.764 -9.096 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.482 -8.780 8.566 1.00 0.00 H new ATOM 886 N ALA A 57 6.474 -6.403 7.344 1.00 0.00 N ATOM 887 CA ALA A 57 7.526 -5.395 7.378 1.00 0.00 C ATOM 888 C ALA A 57 7.157 -4.186 6.525 1.00 0.00 C ATOM 889 O ALA A 57 7.155 -3.053 7.006 1.00 0.00 O ATOM 890 CB ALA A 57 8.845 -5.992 6.908 1.00 0.00 C ATOM 0 H ALA A 57 6.772 -7.311 6.988 1.00 0.00 H new ATOM 0 HA ALA A 57 7.639 -5.059 8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.622 -5.228 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.123 -6.819 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.736 -6.357 5.887 1.00 0.00 H new ATOM 896 N TRP A 58 6.846 -4.436 5.259 1.00 0.00 N ATOM 897 CA TRP A 58 6.475 -3.366 4.338 1.00 0.00 C ATOM 898 C TRP A 58 5.478 -2.412 4.986 1.00 0.00 C ATOM 899 O TRP A 58 5.777 -1.238 5.201 1.00 0.00 O ATOM 900 CB TRP A 58 5.882 -3.952 3.056 1.00 0.00 C ATOM 901 CG TRP A 58 5.681 -2.933 1.975 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.588 -2.557 1.025 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.501 -2.160 1.735 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.042 -1.596 0.209 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.762 -1.335 0.623 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.248 -2.085 2.349 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.817 -0.448 0.116 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.311 -1.203 1.845 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.598 -0.395 0.737 1.00 0.00 C ATOM 0 H TRP A 58 6.843 -5.369 4.846 1.00 0.00 H new ATOM 0 HA TRP A 58 7.376 -2.805 4.089 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.540 -4.739 2.686 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.925 -4.419 3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.587 -2.956 0.930 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.513 -1.149 -0.578 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.016 -2.705 3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.037 0.176 -0.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.340 -1.135 2.314 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.843 0.283 0.366 1.00 0.00 H new ATOM 920 N PHE A 59 4.290 -2.924 5.294 1.00 0.00 N ATOM 921 CA PHE A 59 3.248 -2.117 5.916 1.00 0.00 C ATOM 922 C PHE A 59 3.853 -1.081 6.859 1.00 0.00 C ATOM 923 O PHE A 59 3.485 0.094 6.829 1.00 0.00 O ATOM 924 CB PHE A 59 2.270 -3.010 6.681 1.00 0.00 C ATOM 925 CG PHE A 59 1.109 -3.477 5.850 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.320 -4.131 4.647 1.00 0.00 C ATOM 927 CD2 PHE A 59 -0.193 -3.262 6.272 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.253 -4.561 3.880 1.00 0.00 C ATOM 929 CE2 PHE A 59 -1.264 -3.691 5.510 1.00 0.00 C ATOM 930 CZ PHE A 59 -1.040 -4.342 4.313 1.00 0.00 C ATOM 0 H PHE A 59 4.026 -3.894 5.123 1.00 0.00 H new ATOM 0 HA PHE A 59 2.709 -1.593 5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.806 -3.879 7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.892 -2.464 7.545 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.329 -4.307 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.374 -2.753 7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.431 -5.068 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.274 -3.517 5.850 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.875 -4.679 3.716 1.00 0.00 H new ATOM 940 N THR A 60 4.783 -1.525 7.699 1.00 0.00 N ATOM 941 CA THR A 60 5.438 -0.639 8.653 1.00 0.00 C ATOM 942 C THR A 60 6.317 0.382 7.940 1.00 0.00 C ATOM 943 O THR A 60 6.106 1.588 8.063 1.00 0.00 O ATOM 944 CB THR A 60 6.300 -1.431 9.655 1.00 0.00 C ATOM 945 OG1 THR A 60 5.583 -2.582 10.115 1.00 0.00 O ATOM 946 CG2 THR A 60 6.688 -0.561 10.840 1.00 0.00 C ATOM 0 H THR A 60 5.100 -2.494 7.738 1.00 0.00 H new ATOM 0 HA THR A 60 4.648 -0.119 9.196 1.00 0.00 H new ATOM 0 HB THR A 60 7.210 -1.750 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.138 -3.081 10.750 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.296 -1.141 11.534 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.259 0.299 10.489 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.788 -0.216 11.348 1.00 0.00 H new ATOM 954 N GLU A 61 7.302 -0.109 7.195 1.00 0.00 N ATOM 955 CA GLU A 61 8.212 0.764 6.462 1.00 0.00 C ATOM 956 C GLU A 61 7.460 1.938 5.843 1.00 0.00 C ATOM 957 O GLU A 61 7.948 3.069 5.837 1.00 0.00 O ATOM 958 CB GLU A 61 8.940 -0.023 5.370 1.00 0.00 C ATOM 959 CG GLU A 61 10.367 0.441 5.134 1.00 0.00 C ATOM 960 CD GLU A 61 10.788 0.318 3.683 1.00 0.00 C ATOM 961 OE1 GLU A 61 10.430 -0.694 3.044 1.00 0.00 O ATOM 962 OE2 GLU A 61 11.476 1.234 3.185 1.00 0.00 O ATOM 0 H GLU A 61 7.490 -1.105 7.083 1.00 0.00 H new ATOM 0 HA GLU A 61 8.945 1.156 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.950 -1.079 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.381 0.062 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.464 1.480 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.043 -0.146 5.756 1.00 0.00 H new ATOM 969 N LYS A 62 6.270 1.662 5.322 1.00 0.00 N ATOM 970 CA LYS A 62 5.448 2.694 4.701 1.00 0.00 C ATOM 971 C LYS A 62 5.086 3.782 5.708 1.00 0.00 C ATOM 972 O LYS A 62 5.288 4.969 5.454 1.00 0.00 O ATOM 973 CB LYS A 62 4.173 2.079 4.119 1.00 0.00 C ATOM 974 CG LYS A 62 3.585 2.874 2.967 1.00 0.00 C ATOM 975 CD LYS A 62 4.239 2.509 1.645 1.00 0.00 C ATOM 976 CE LYS A 62 3.274 2.674 0.481 1.00 0.00 C ATOM 977 NZ LYS A 62 3.006 4.108 0.182 1.00 0.00 N ATOM 0 H LYS A 62 5.853 0.731 5.317 1.00 0.00 H new ATOM 0 HA LYS A 62 6.026 3.147 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.391 1.067 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.427 1.995 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.513 2.689 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.715 3.940 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.114 3.138 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.590 1.478 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.686 2.189 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.336 2.170 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.344 4.178 -0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.589 4.565 1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.897 4.584 -0.064 1.00 0.00 H new ATOM 991 N LYS A 63 4.552 3.368 6.852 1.00 0.00 N ATOM 992 CA LYS A 63 4.164 4.306 7.899 1.00 0.00 C ATOM 993 C LYS A 63 5.239 5.369 8.102 1.00 0.00 C ATOM 994 O LYS A 63 4.936 6.555 8.237 1.00 0.00 O ATOM 995 CB LYS A 63 3.915 3.561 9.212 1.00 0.00 C ATOM 996 CG LYS A 63 2.719 2.625 9.163 1.00 0.00 C ATOM 997 CD LYS A 63 2.805 1.554 10.237 1.00 0.00 C ATOM 998 CE LYS A 63 2.077 0.286 9.819 1.00 0.00 C ATOM 999 NZ LYS A 63 1.835 -0.622 10.975 1.00 0.00 N ATOM 0 H LYS A 63 4.378 2.389 7.078 1.00 0.00 H new ATOM 0 HA LYS A 63 3.243 4.800 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.805 2.987 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.764 4.288 10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.801 3.199 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.664 2.154 8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.851 1.324 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.376 1.932 11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.125 0.549 9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.663 -0.237 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.957 -1.157 10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.631 -1.284 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.748 -0.060 11.846 1.00 0.00 H new