USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=8 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= -2.14 K(o=-2.1,f=-2.7) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -94:sc= -0.999 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 33 SER OG : rot 42:sc= 0.299 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.822 X(o=-0.82,f=-0.38) USER MOD Single : A 47 GLN : amide:sc= -0.291 K(o=-0.29,f=-3.8!) USER MOD Single : A 48 THR OG1 : rot -67:sc= 1.27 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00804 USER MOD Single : A 60 THR OG1 : rot 75:sc= 1.08 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 7.507 -5.814 -6.990 1.00 0.00 N ATOM 259 CA THR A 19 6.961 -5.709 -8.337 1.00 0.00 C ATOM 260 C THR A 19 5.614 -4.996 -8.331 1.00 0.00 C ATOM 261 O THR A 19 4.845 -5.110 -7.377 1.00 0.00 O ATOM 262 CB THR A 19 6.792 -7.097 -8.984 1.00 0.00 C ATOM 263 OG1 THR A 19 6.508 -6.955 -10.380 1.00 0.00 O ATOM 264 CG2 THR A 19 5.671 -7.875 -8.310 1.00 0.00 C ATOM 0 HA THR A 19 7.673 -5.127 -8.922 1.00 0.00 H new ATOM 0 HB THR A 19 7.723 -7.649 -8.857 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.404 -7.842 -10.784 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.570 -8.852 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.904 -8.006 -7.253 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.735 -7.325 -8.410 1.00 0.00 H new ATOM 272 N ALA A 20 5.334 -4.260 -9.402 1.00 0.00 N ATOM 273 CA ALA A 20 4.078 -3.531 -9.520 1.00 0.00 C ATOM 274 C ALA A 20 2.931 -4.305 -8.880 1.00 0.00 C ATOM 275 O ALA A 20 2.360 -3.872 -7.880 1.00 0.00 O ATOM 276 CB ALA A 20 3.771 -3.242 -10.982 1.00 0.00 C ATOM 0 H ALA A 20 5.960 -4.153 -10.200 1.00 0.00 H new ATOM 0 HA ALA A 20 4.184 -2.585 -8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.830 -2.697 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.573 -2.641 -11.410 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.690 -4.181 -11.529 1.00 0.00 H new ATOM 282 N GLU A 21 2.598 -5.452 -9.465 1.00 0.00 N ATOM 283 CA GLU A 21 1.517 -6.285 -8.951 1.00 0.00 C ATOM 284 C GLU A 21 1.540 -6.327 -7.426 1.00 0.00 C ATOM 285 O GLU A 21 0.547 -6.011 -6.772 1.00 0.00 O ATOM 286 CB GLU A 21 1.626 -7.704 -9.513 1.00 0.00 C ATOM 287 CG GLU A 21 0.285 -8.397 -9.680 1.00 0.00 C ATOM 288 CD GLU A 21 -0.441 -7.968 -10.941 1.00 0.00 C ATOM 289 OE1 GLU A 21 -0.037 -8.411 -12.037 1.00 0.00 O ATOM 290 OE2 GLU A 21 -1.411 -7.190 -10.832 1.00 0.00 O ATOM 0 H GLU A 21 3.061 -5.825 -10.294 1.00 0.00 H new ATOM 0 HA GLU A 21 0.572 -5.847 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.128 -7.665 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.254 -8.301 -8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.438 -9.476 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.341 -8.182 -8.814 1.00 0.00 H new ATOM 297 N GLN A 22 2.681 -6.719 -6.868 1.00 0.00 N ATOM 298 CA GLN A 22 2.833 -6.803 -5.420 1.00 0.00 C ATOM 299 C GLN A 22 2.455 -5.484 -4.755 1.00 0.00 C ATOM 300 O GLN A 22 1.617 -5.449 -3.853 1.00 0.00 O ATOM 301 CB GLN A 22 4.271 -7.177 -5.058 1.00 0.00 C ATOM 302 CG GLN A 22 4.602 -8.639 -5.311 1.00 0.00 C ATOM 303 CD GLN A 22 5.974 -9.024 -4.795 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.813 -8.164 -4.526 1.00 0.00 O ATOM 305 NE2 GLN A 22 6.211 -10.323 -4.653 1.00 0.00 N ATOM 0 H GLN A 22 3.513 -6.983 -7.396 1.00 0.00 H new ATOM 0 HA GLN A 22 2.160 -7.579 -5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.955 -6.553 -5.633 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.442 -6.951 -4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.849 -9.266 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.551 -8.839 -6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.487 -11.002 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.117 -10.642 -4.309 1.00 0.00 H new ATOM 314 N LEU A 23 3.077 -4.401 -5.206 1.00 0.00 N ATOM 315 CA LEU A 23 2.806 -3.077 -4.655 1.00 0.00 C ATOM 316 C LEU A 23 1.317 -2.756 -4.716 1.00 0.00 C ATOM 317 O LEU A 23 0.674 -2.546 -3.688 1.00 0.00 O ATOM 318 CB LEU A 23 3.601 -2.014 -5.415 1.00 0.00 C ATOM 319 CG LEU A 23 5.008 -1.726 -4.891 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.631 -0.563 -5.647 1.00 0.00 C ATOM 321 CD2 LEU A 23 4.972 -1.435 -3.398 1.00 0.00 C ATOM 0 H LEU A 23 3.773 -4.413 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 23 3.116 -3.075 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.679 -2.324 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.032 -1.084 -5.401 1.00 0.00 H new ATOM 0 HG LEU A 23 5.624 -2.611 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.632 -0.372 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.692 -0.809 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.016 0.327 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.982 -1.232 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.341 -0.566 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.567 -2.298 -2.869 1.00 0.00 H new ATOM 333 N ARG A 24 0.774 -2.722 -5.929 1.00 0.00 N ATOM 334 CA ARG A 24 -0.641 -2.428 -6.125 1.00 0.00 C ATOM 335 C ARG A 24 -1.479 -3.007 -4.989 1.00 0.00 C ATOM 336 O ARG A 24 -2.213 -2.284 -4.315 1.00 0.00 O ATOM 337 CB ARG A 24 -1.120 -2.990 -7.464 1.00 0.00 C ATOM 338 CG ARG A 24 -2.632 -3.002 -7.614 1.00 0.00 C ATOM 339 CD ARG A 24 -3.059 -3.672 -8.911 1.00 0.00 C ATOM 340 NE ARG A 24 -4.337 -3.159 -9.397 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.534 -1.895 -9.755 1.00 0.00 C ATOM 342 NH1 ARG A 24 -3.540 -1.020 -9.683 1.00 0.00 N ATOM 343 NH2 ARG A 24 -5.726 -1.505 -10.188 1.00 0.00 N ATOM 0 H ARG A 24 1.292 -2.894 -6.790 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.764 -1.345 -6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.688 -2.399 -8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.744 -4.007 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.078 -3.526 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.009 -1.980 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.293 -3.514 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.136 -4.748 -8.755 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.122 -3.807 -9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.622 -1.317 -9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.694 -0.050 -9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.492 -2.176 -10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.876 -0.534 -10.463 1.00 0.00 H new ATOM 357 N VAL A 25 -1.364 -4.315 -4.782 1.00 0.00 N ATOM 358 CA VAL A 25 -2.110 -4.991 -3.728 1.00 0.00 C ATOM 359 C VAL A 25 -1.790 -4.398 -2.361 1.00 0.00 C ATOM 360 O VAL A 25 -2.653 -3.808 -1.710 1.00 0.00 O ATOM 361 CB VAL A 25 -1.805 -6.501 -3.704 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.556 -7.180 -2.570 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.155 -7.136 -5.042 1.00 0.00 C ATOM 0 H VAL A 25 -0.761 -4.928 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.168 -4.845 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.737 -6.636 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.328 -8.246 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.251 -6.743 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.628 -7.039 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.933 -8.203 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.216 -6.992 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.567 -6.668 -5.832 1.00 0.00 H new ATOM 373 N LEU A 26 -0.543 -4.557 -1.930 1.00 0.00 N ATOM 374 CA LEU A 26 -0.107 -4.036 -0.639 1.00 0.00 C ATOM 375 C LEU A 26 -0.617 -2.614 -0.425 1.00 0.00 C ATOM 376 O LEU A 26 -1.387 -2.354 0.499 1.00 0.00 O ATOM 377 CB LEU A 26 1.419 -4.062 -0.546 1.00 0.00 C ATOM 378 CG LEU A 26 2.084 -5.416 -0.797 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.496 -5.227 -1.328 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.099 -6.247 0.477 1.00 0.00 C ATOM 0 H LEU A 26 0.184 -5.043 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.523 -4.673 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.819 -3.345 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.708 -3.716 0.446 1.00 0.00 H new ATOM 0 HG LEU A 26 1.503 -5.950 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.953 -6.201 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.461 -4.671 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.088 -4.673 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.576 -7.207 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.656 -5.718 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.076 -6.413 0.815 1.00 0.00 H new ATOM 392 N GLN A 27 -0.183 -1.700 -1.287 1.00 0.00 N ATOM 393 CA GLN A 27 -0.597 -0.305 -1.192 1.00 0.00 C ATOM 394 C GLN A 27 -2.107 -0.197 -1.005 1.00 0.00 C ATOM 395 O GLN A 27 -2.588 0.620 -0.220 1.00 0.00 O ATOM 396 CB GLN A 27 -0.171 0.462 -2.446 1.00 0.00 C ATOM 397 CG GLN A 27 0.115 1.933 -2.191 1.00 0.00 C ATOM 398 CD GLN A 27 -0.175 2.801 -3.399 1.00 0.00 C ATOM 399 OE1 GLN A 27 0.740 3.326 -4.035 1.00 0.00 O ATOM 400 NE2 GLN A 27 -1.453 2.958 -3.723 1.00 0.00 N ATOM 0 H GLN A 27 0.454 -1.900 -2.058 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.109 0.134 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.721 -0.006 -2.863 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.956 0.378 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.487 2.276 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.160 2.052 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.179 2.505 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.709 3.532 -4.527 1.00 0.00 H new ATOM 409 N ALA A 28 -2.849 -1.026 -1.731 1.00 0.00 N ATOM 410 CA ALA A 28 -4.304 -1.024 -1.643 1.00 0.00 C ATOM 411 C ALA A 28 -4.771 -1.443 -0.253 1.00 0.00 C ATOM 412 O ALA A 28 -5.752 -0.913 0.269 1.00 0.00 O ATOM 413 CB ALA A 28 -4.898 -1.944 -2.700 1.00 0.00 C ATOM 0 H ALA A 28 -2.467 -1.708 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.652 -0.007 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.985 -1.933 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.601 -1.600 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.534 -2.960 -2.545 1.00 0.00 H new ATOM 419 N SER A 29 -4.062 -2.398 0.341 1.00 0.00 N ATOM 420 CA SER A 29 -4.407 -2.892 1.670 1.00 0.00 C ATOM 421 C SER A 29 -3.879 -1.954 2.751 1.00 0.00 C ATOM 422 O SER A 29 -4.651 -1.361 3.505 1.00 0.00 O ATOM 423 CB SER A 29 -3.840 -4.297 1.877 1.00 0.00 C ATOM 424 OG SER A 29 -3.947 -4.695 3.233 1.00 0.00 O ATOM 0 H SER A 29 -3.246 -2.845 -0.076 1.00 0.00 H new ATOM 0 HA SER A 29 -5.494 -2.931 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.374 -5.005 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.795 -4.320 1.569 1.00 0.00 H new ATOM 0 HG SER A 29 -3.114 -4.483 3.703 1.00 0.00 H new ATOM 430 N PHE A 30 -2.559 -1.824 2.821 1.00 0.00 N ATOM 431 CA PHE A 30 -1.926 -0.960 3.810 1.00 0.00 C ATOM 432 C PHE A 30 -2.732 0.321 4.007 1.00 0.00 C ATOM 433 O PHE A 30 -3.001 0.732 5.137 1.00 0.00 O ATOM 434 CB PHE A 30 -0.498 -0.616 3.381 1.00 0.00 C ATOM 435 CG PHE A 30 0.082 0.559 4.114 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.649 0.398 5.368 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.062 1.824 3.549 1.00 0.00 C ATOM 438 CE1 PHE A 30 1.183 1.478 6.045 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.595 2.907 4.221 1.00 0.00 C ATOM 440 CZ PHE A 30 1.157 2.734 5.471 1.00 0.00 C ATOM 0 H PHE A 30 -1.906 -2.307 2.204 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.893 -1.498 4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.140 -1.485 3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.489 -0.407 2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.674 -0.582 5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.375 1.965 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.621 1.340 7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.572 3.888 3.770 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.575 3.579 5.998 1.00 0.00 H new ATOM 450 N LEU A 31 -3.113 0.949 2.901 1.00 0.00 N ATOM 451 CA LEU A 31 -3.888 2.184 2.950 1.00 0.00 C ATOM 452 C LEU A 31 -5.101 2.030 3.862 1.00 0.00 C ATOM 453 O LEU A 31 -5.262 2.774 4.828 1.00 0.00 O ATOM 454 CB LEU A 31 -4.340 2.583 1.544 1.00 0.00 C ATOM 455 CG LEU A 31 -3.353 3.425 0.735 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.727 3.417 -0.739 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.306 4.850 1.268 1.00 0.00 C ATOM 0 H LEU A 31 -2.898 0.624 1.959 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.249 2.968 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.557 1.674 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.275 3.137 1.628 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.360 2.987 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.013 4.021 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.708 2.394 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.728 3.830 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.598 5.435 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.297 5.299 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.989 4.838 2.311 1.00 0.00 H new ATOM 469 N ASN A 32 -5.951 1.058 3.547 1.00 0.00 N ATOM 470 CA ASN A 32 -7.150 0.805 4.339 1.00 0.00 C ATOM 471 C ASN A 32 -6.843 0.888 5.831 1.00 0.00 C ATOM 472 O ASN A 32 -7.407 1.717 6.546 1.00 0.00 O ATOM 473 CB ASN A 32 -7.727 -0.572 4.002 1.00 0.00 C ATOM 474 CG ASN A 32 -9.229 -0.634 4.207 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.764 -0.042 5.144 1.00 0.00 O ATOM 476 ND2 ASN A 32 -9.916 -1.354 3.327 1.00 0.00 N ATOM 0 H ASN A 32 -5.832 0.433 2.750 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.886 1.571 4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.494 -0.817 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.246 -1.327 4.624 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.929 -1.433 3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.430 -1.828 2.566 1.00 0.00 H new ATOM 483 N SER A 33 -5.946 0.024 6.295 1.00 0.00 N ATOM 484 CA SER A 33 -5.566 -0.002 7.703 1.00 0.00 C ATOM 485 C SER A 33 -4.057 -0.163 7.856 1.00 0.00 C ATOM 486 O SER A 33 -3.494 -1.202 7.509 1.00 0.00 O ATOM 487 CB SER A 33 -6.288 -1.140 8.427 1.00 0.00 C ATOM 488 OG SER A 33 -6.115 -2.369 7.743 1.00 0.00 O ATOM 0 H SER A 33 -5.469 -0.667 5.717 1.00 0.00 H new ATOM 0 HA SER A 33 -5.859 0.948 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.906 -1.229 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.351 -0.910 8.505 1.00 0.00 H new ATOM 0 HG SER A 33 -5.185 -2.448 7.443 1.00 0.00 H new ATOM 494 N SER A 34 -3.407 0.872 8.377 1.00 0.00 N ATOM 495 CA SER A 34 -1.962 0.848 8.573 1.00 0.00 C ATOM 496 C SER A 34 -1.531 -0.434 9.278 1.00 0.00 C ATOM 497 O SER A 34 -0.562 -1.080 8.878 1.00 0.00 O ATOM 498 CB SER A 34 -1.516 2.065 9.385 1.00 0.00 C ATOM 499 OG SER A 34 -2.139 2.085 10.658 1.00 0.00 O ATOM 0 H SER A 34 -3.858 1.738 8.671 1.00 0.00 H new ATOM 0 HA SER A 34 -1.486 0.880 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.433 2.048 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.761 2.978 8.842 1.00 0.00 H new ATOM 0 HG SER A 34 -1.836 2.871 11.158 1.00 0.00 H new ATOM 505 N VAL A 35 -2.258 -0.797 10.330 1.00 0.00 N ATOM 506 CA VAL A 35 -1.952 -2.002 11.091 1.00 0.00 C ATOM 507 C VAL A 35 -2.292 -3.257 10.294 1.00 0.00 C ATOM 508 O VAL A 35 -3.327 -3.321 9.628 1.00 0.00 O ATOM 509 CB VAL A 35 -2.719 -2.032 12.426 1.00 0.00 C ATOM 510 CG1 VAL A 35 -2.221 -0.934 13.353 1.00 0.00 C ATOM 511 CG2 VAL A 35 -4.215 -1.899 12.184 1.00 0.00 C ATOM 0 H VAL A 35 -3.063 -0.274 10.674 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.881 -1.984 11.295 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.536 -2.992 12.908 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.775 -0.971 14.291 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.159 -1.080 13.552 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.372 0.037 12.881 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.741 -1.922 13.138 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.419 -0.955 11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.558 -2.725 11.561 1.00 0.00 H new ATOM 521 N LEU A 36 -1.416 -4.252 10.366 1.00 0.00 N ATOM 522 CA LEU A 36 -1.623 -5.507 9.651 1.00 0.00 C ATOM 523 C LEU A 36 -2.082 -6.607 10.603 1.00 0.00 C ATOM 524 O LEU A 36 -1.500 -6.802 11.671 1.00 0.00 O ATOM 525 CB LEU A 36 -0.335 -5.933 8.945 1.00 0.00 C ATOM 526 CG LEU A 36 -0.493 -6.957 7.820 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.069 -6.298 6.576 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.842 -7.616 7.506 1.00 0.00 C ATOM 0 H LEU A 36 -0.555 -4.215 10.912 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.403 -5.348 8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.142 -5.043 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.345 -6.344 9.691 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.187 -7.729 8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.174 -7.042 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.046 -5.874 6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.400 -5.505 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.710 -8.341 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.558 -6.856 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.216 -8.123 8.396 1.00 0.00 H new ATOM 540 N THR A 37 -3.129 -7.325 10.209 1.00 0.00 N ATOM 541 CA THR A 37 -3.666 -8.406 11.026 1.00 0.00 C ATOM 542 C THR A 37 -3.556 -9.745 10.307 1.00 0.00 C ATOM 543 O THR A 37 -3.592 -9.806 9.078 1.00 0.00 O ATOM 544 CB THR A 37 -5.140 -8.153 11.394 1.00 0.00 C ATOM 545 OG1 THR A 37 -5.933 -8.063 10.205 1.00 0.00 O ATOM 546 CG2 THR A 37 -5.285 -6.873 12.204 1.00 0.00 C ATOM 0 H THR A 37 -3.622 -7.177 9.328 1.00 0.00 H new ATOM 0 HA THR A 37 -3.072 -8.437 11.939 1.00 0.00 H new ATOM 0 HB THR A 37 -5.488 -8.989 12.001 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.869 -7.904 10.447 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.335 -6.716 12.452 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.704 -6.956 13.122 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.920 -6.029 11.619 1.00 0.00 H new ATOM 554 N ASP A 38 -3.422 -10.817 11.081 1.00 0.00 N ATOM 555 CA ASP A 38 -3.308 -12.157 10.517 1.00 0.00 C ATOM 556 C ASP A 38 -4.242 -12.325 9.323 1.00 0.00 C ATOM 557 O ASP A 38 -3.867 -12.911 8.307 1.00 0.00 O ATOM 558 CB ASP A 38 -3.625 -13.209 11.581 1.00 0.00 C ATOM 559 CG ASP A 38 -3.341 -14.620 11.103 1.00 0.00 C ATOM 560 OD1 ASP A 38 -2.329 -14.814 10.397 1.00 0.00 O ATOM 561 OD2 ASP A 38 -4.131 -15.529 11.433 1.00 0.00 O ATOM 0 H ASP A 38 -3.390 -10.784 12.100 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.282 -12.295 10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.036 -13.006 12.475 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.674 -13.129 11.866 1.00 0.00 H new ATOM 566 N GLU A 39 -5.460 -11.809 9.453 1.00 0.00 N ATOM 567 CA GLU A 39 -6.448 -11.905 8.385 1.00 0.00 C ATOM 568 C GLU A 39 -5.892 -11.347 7.078 1.00 0.00 C ATOM 569 O GLU A 39 -5.587 -12.097 6.152 1.00 0.00 O ATOM 570 CB GLU A 39 -7.724 -11.153 8.771 1.00 0.00 C ATOM 571 CG GLU A 39 -8.770 -12.032 9.435 1.00 0.00 C ATOM 572 CD GLU A 39 -9.630 -11.269 10.424 1.00 0.00 C ATOM 573 OE1 GLU A 39 -10.174 -10.211 10.044 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.759 -11.729 11.578 1.00 0.00 O ATOM 0 H GLU A 39 -5.786 -11.320 10.287 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.686 -12.959 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.465 -10.337 9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.155 -10.702 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.408 -12.473 8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.274 -12.855 9.950 1.00 0.00 H new ATOM 581 N GLU A 40 -5.764 -10.025 7.013 1.00 0.00 N ATOM 582 CA GLU A 40 -5.246 -9.367 5.819 1.00 0.00 C ATOM 583 C GLU A 40 -3.919 -9.986 5.389 1.00 0.00 C ATOM 584 O GLU A 40 -3.722 -10.309 4.217 1.00 0.00 O ATOM 585 CB GLU A 40 -5.064 -7.869 6.074 1.00 0.00 C ATOM 586 CG GLU A 40 -4.488 -7.115 4.887 1.00 0.00 C ATOM 587 CD GLU A 40 -5.480 -6.972 3.749 1.00 0.00 C ATOM 588 OE1 GLU A 40 -6.480 -6.245 3.922 1.00 0.00 O ATOM 589 OE2 GLU A 40 -5.256 -7.589 2.687 1.00 0.00 O ATOM 0 H GLU A 40 -6.011 -9.390 7.772 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.969 -9.506 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.028 -7.434 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.408 -7.732 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.168 -6.125 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.600 -7.635 4.527 1.00 0.00 H new ATOM 596 N LEU A 41 -3.011 -10.147 6.345 1.00 0.00 N ATOM 597 CA LEU A 41 -1.701 -10.726 6.067 1.00 0.00 C ATOM 598 C LEU A 41 -1.834 -11.994 5.229 1.00 0.00 C ATOM 599 O LEU A 41 -1.105 -12.186 4.257 1.00 0.00 O ATOM 600 CB LEU A 41 -0.972 -11.039 7.374 1.00 0.00 C ATOM 601 CG LEU A 41 0.548 -11.184 7.277 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.168 -11.238 8.664 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.915 -12.425 6.477 1.00 0.00 C ATOM 0 H LEU A 41 -3.158 -9.885 7.320 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.121 -9.997 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.197 -10.249 8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.380 -11.964 7.782 1.00 0.00 H new ATOM 0 HG LEU A 41 0.945 -10.312 6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.249 -11.341 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.934 -10.320 9.203 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.766 -12.092 9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.000 -12.512 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.506 -13.308 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.502 -12.345 5.471 1.00 0.00 H new ATOM 615 N ASN A 42 -2.771 -12.855 5.612 1.00 0.00 N ATOM 616 CA ASN A 42 -3.000 -14.104 4.895 1.00 0.00 C ATOM 617 C ASN A 42 -3.305 -13.839 3.424 1.00 0.00 C ATOM 618 O ASN A 42 -2.562 -14.265 2.539 1.00 0.00 O ATOM 619 CB ASN A 42 -4.154 -14.879 5.535 1.00 0.00 C ATOM 620 CG ASN A 42 -3.700 -15.733 6.703 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.865 -16.624 6.547 1.00 0.00 O ATOM 622 ND2 ASN A 42 -4.250 -15.464 7.881 1.00 0.00 N ATOM 0 H ASN A 42 -3.384 -12.711 6.415 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.091 -14.702 4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.915 -14.177 5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.622 -15.515 4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.984 -16.005 8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.938 -14.716 7.964 1.00 0.00 H new ATOM 629 N ARG A 43 -4.402 -13.133 3.170 1.00 0.00 N ATOM 630 CA ARG A 43 -4.805 -12.811 1.807 1.00 0.00 C ATOM 631 C ARG A 43 -3.629 -12.257 1.008 1.00 0.00 C ATOM 632 O ARG A 43 -3.353 -12.707 -0.105 1.00 0.00 O ATOM 633 CB ARG A 43 -5.951 -11.798 1.817 1.00 0.00 C ATOM 634 CG ARG A 43 -7.301 -12.408 2.154 1.00 0.00 C ATOM 635 CD ARG A 43 -7.401 -12.759 3.630 1.00 0.00 C ATOM 636 NE ARG A 43 -6.944 -14.119 3.902 1.00 0.00 N ATOM 637 CZ ARG A 43 -7.623 -15.206 3.554 1.00 0.00 C ATOM 638 NH1 ARG A 43 -8.783 -15.093 2.923 1.00 0.00 N ATOM 639 NH2 ARG A 43 -7.140 -16.410 3.836 1.00 0.00 N ATOM 0 H ARG A 43 -5.028 -12.773 3.891 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.145 -13.730 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.725 -11.014 2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.011 -11.321 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.094 -11.708 1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.456 -13.305 1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.807 -12.054 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.435 -12.651 3.959 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.054 -14.241 4.386 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.156 -14.170 2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.302 -15.930 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.247 -16.501 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.662 -17.244 3.568 1.00 0.00 H new ATOM 653 N LEU A 44 -2.939 -11.278 1.583 1.00 0.00 N ATOM 654 CA LEU A 44 -1.792 -10.662 0.926 1.00 0.00 C ATOM 655 C LEU A 44 -0.691 -11.688 0.676 1.00 0.00 C ATOM 656 O LEU A 44 -0.026 -11.661 -0.360 1.00 0.00 O ATOM 657 CB LEU A 44 -1.249 -9.511 1.775 1.00 0.00 C ATOM 658 CG LEU A 44 -2.232 -8.380 2.079 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.625 -7.397 3.067 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.638 -7.668 0.796 1.00 0.00 C ATOM 0 H LEU A 44 -3.154 -10.894 2.503 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.124 -10.271 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.893 -9.920 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.384 -9.087 1.265 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.125 -8.812 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.339 -6.599 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.385 -7.916 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.716 -6.971 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.338 -6.866 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.753 -7.249 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.114 -8.379 0.120 1.00 0.00 H new ATOM 672 N ARG A 45 -0.505 -12.593 1.632 1.00 0.00 N ATOM 673 CA ARG A 45 0.515 -13.628 1.515 1.00 0.00 C ATOM 674 C ARG A 45 0.314 -14.448 0.243 1.00 0.00 C ATOM 675 O ARG A 45 1.264 -15.012 -0.299 1.00 0.00 O ATOM 676 CB ARG A 45 0.480 -14.548 2.737 1.00 0.00 C ATOM 677 CG ARG A 45 1.833 -15.145 3.088 1.00 0.00 C ATOM 678 CD ARG A 45 1.813 -15.802 4.460 1.00 0.00 C ATOM 679 NE ARG A 45 1.349 -17.185 4.397 1.00 0.00 N ATOM 680 CZ ARG A 45 0.982 -17.886 5.464 1.00 0.00 C ATOM 681 NH1 ARG A 45 1.024 -17.336 6.669 1.00 0.00 N ATOM 682 NH2 ARG A 45 0.571 -19.140 5.326 1.00 0.00 N ATOM 0 H ARG A 45 -1.047 -12.630 2.495 1.00 0.00 H new ATOM 0 HA ARG A 45 1.488 -13.140 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.107 -13.987 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.228 -15.356 2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.113 -15.881 2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.593 -14.364 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.814 -15.775 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.165 -15.232 5.126 1.00 0.00 H new ATOM 0 HE ARG A 45 1.304 -17.638 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.339 -16.372 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.742 -17.877 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.537 -19.566 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.289 -19.678 6.146 1.00 0.00 H new ATOM 696 N ALA A 46 -0.928 -14.509 -0.226 1.00 0.00 N ATOM 697 CA ALA A 46 -1.252 -15.257 -1.433 1.00 0.00 C ATOM 698 C ALA A 46 -1.293 -14.342 -2.652 1.00 0.00 C ATOM 699 O ALA A 46 -0.770 -14.683 -3.713 1.00 0.00 O ATOM 700 CB ALA A 46 -2.582 -15.977 -1.267 1.00 0.00 C ATOM 0 H ALA A 46 -1.726 -14.049 0.212 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.468 -15.997 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.811 -16.532 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.519 -16.668 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.370 -15.247 -1.079 1.00 0.00 H new ATOM 706 N GLN A 47 -1.918 -13.180 -2.493 1.00 0.00 N ATOM 707 CA GLN A 47 -2.028 -12.217 -3.582 1.00 0.00 C ATOM 708 C GLN A 47 -0.648 -11.781 -4.065 1.00 0.00 C ATOM 709 O GLN A 47 -0.294 -11.977 -5.228 1.00 0.00 O ATOM 710 CB GLN A 47 -2.833 -10.996 -3.133 1.00 0.00 C ATOM 711 CG GLN A 47 -4.310 -11.286 -2.921 1.00 0.00 C ATOM 712 CD GLN A 47 -5.006 -10.209 -2.112 1.00 0.00 C ATOM 713 OE1 GLN A 47 -4.858 -10.139 -0.892 1.00 0.00 O ATOM 714 NE2 GLN A 47 -5.772 -9.362 -2.790 1.00 0.00 N ATOM 0 H GLN A 47 -2.356 -12.883 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.547 -12.701 -4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.409 -10.613 -2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.729 -10.208 -3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.800 -11.381 -3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.419 -12.244 -2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.866 -9.457 -3.801 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.266 -8.617 -2.300 1.00 0.00 H new ATOM 723 N THR A 48 0.128 -11.187 -3.163 1.00 0.00 N ATOM 724 CA THR A 48 1.469 -10.722 -3.497 1.00 0.00 C ATOM 725 C THR A 48 2.439 -11.890 -3.629 1.00 0.00 C ATOM 726 O THR A 48 3.534 -11.742 -4.173 1.00 0.00 O ATOM 727 CB THR A 48 2.004 -9.742 -2.435 1.00 0.00 C ATOM 728 OG1 THR A 48 2.206 -10.428 -1.194 1.00 0.00 O ATOM 729 CG2 THR A 48 1.037 -8.586 -2.230 1.00 0.00 C ATOM 0 H THR A 48 -0.149 -11.017 -2.196 1.00 0.00 H new ATOM 0 HA THR A 48 1.395 -10.205 -4.454 1.00 0.00 H new ATOM 0 HB THR A 48 2.955 -9.341 -2.787 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.341 -10.713 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.436 -7.907 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.908 -8.049 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.074 -8.972 -1.897 1.00 0.00 H new ATOM 737 N LYS A 49 2.031 -13.051 -3.130 1.00 0.00 N ATOM 738 CA LYS A 49 2.863 -14.247 -3.194 1.00 0.00 C ATOM 739 C LYS A 49 4.175 -14.038 -2.443 1.00 0.00 C ATOM 740 O LYS A 49 5.229 -14.507 -2.872 1.00 0.00 O ATOM 741 CB LYS A 49 3.151 -14.616 -4.651 1.00 0.00 C ATOM 742 CG LYS A 49 1.899 -14.801 -5.490 1.00 0.00 C ATOM 743 CD LYS A 49 1.254 -16.154 -5.240 1.00 0.00 C ATOM 744 CE LYS A 49 1.877 -17.237 -6.107 1.00 0.00 C ATOM 745 NZ LYS A 49 0.962 -18.398 -6.287 1.00 0.00 N ATOM 0 H LYS A 49 1.128 -13.190 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 49 2.319 -15.063 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.767 -13.837 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.734 -15.537 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.186 -14.009 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.151 -14.707 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.362 -16.421 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.185 -16.092 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.131 -16.820 -7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.808 -17.575 -5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.423 -19.114 -6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.739 -18.812 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.084 -18.080 -6.744 1.00 0.00 H new ATOM 759 N LEU A 50 4.102 -13.332 -1.320 1.00 0.00 N ATOM 760 CA LEU A 50 5.283 -13.063 -0.508 1.00 0.00 C ATOM 761 C LEU A 50 5.129 -13.652 0.891 1.00 0.00 C ATOM 762 O LEU A 50 4.039 -14.069 1.285 1.00 0.00 O ATOM 763 CB LEU A 50 5.529 -11.556 -0.414 1.00 0.00 C ATOM 764 CG LEU A 50 6.328 -10.934 -1.560 1.00 0.00 C ATOM 765 CD1 LEU A 50 6.260 -9.416 -1.496 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.774 -11.407 -1.520 1.00 0.00 C ATOM 0 H LEU A 50 3.237 -12.936 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 50 6.139 -13.536 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.564 -11.053 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.052 -11.351 0.520 1.00 0.00 H new ATOM 0 HG LEU A 50 5.887 -11.257 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.834 -8.991 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.221 -9.095 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.676 -9.073 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.328 -10.954 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.227 -11.113 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.805 -12.492 -1.616 1.00 0.00 H new ATOM 778 N THR A 51 6.227 -13.682 1.639 1.00 0.00 N ATOM 779 CA THR A 51 6.214 -14.218 2.994 1.00 0.00 C ATOM 780 C THR A 51 5.674 -13.194 3.986 1.00 0.00 C ATOM 781 O THR A 51 5.812 -11.988 3.784 1.00 0.00 O ATOM 782 CB THR A 51 7.623 -14.654 3.440 1.00 0.00 C ATOM 783 OG1 THR A 51 7.584 -15.132 4.789 1.00 0.00 O ATOM 784 CG2 THR A 51 8.606 -13.497 3.334 1.00 0.00 C ATOM 0 H THR A 51 7.137 -13.341 1.329 1.00 0.00 H new ATOM 0 HA THR A 51 5.559 -15.089 2.982 1.00 0.00 H new ATOM 0 HB THR A 51 7.957 -15.455 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.483 -15.409 5.064 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.594 -13.828 3.654 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.655 -13.155 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.274 -12.678 3.972 1.00 0.00 H new ATOM 792 N ARG A 52 5.060 -13.683 5.059 1.00 0.00 N ATOM 793 CA ARG A 52 4.499 -12.809 6.082 1.00 0.00 C ATOM 794 C ARG A 52 5.530 -11.784 6.547 1.00 0.00 C ATOM 795 O ARG A 52 5.192 -10.637 6.838 1.00 0.00 O ATOM 796 CB ARG A 52 4.010 -13.633 7.275 1.00 0.00 C ATOM 797 CG ARG A 52 5.110 -14.430 7.956 1.00 0.00 C ATOM 798 CD ARG A 52 5.773 -13.629 9.066 1.00 0.00 C ATOM 799 NE ARG A 52 4.933 -13.543 10.257 1.00 0.00 N ATOM 800 CZ ARG A 52 5.367 -13.103 11.433 1.00 0.00 C ATOM 801 NH1 ARG A 52 6.625 -12.711 11.574 1.00 0.00 N ATOM 802 NH2 ARG A 52 4.541 -13.055 12.470 1.00 0.00 N ATOM 0 H ARG A 52 4.939 -14.679 5.242 1.00 0.00 H new ATOM 0 HA ARG A 52 3.654 -12.277 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.552 -12.965 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.232 -14.318 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.693 -15.349 8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.859 -14.722 7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.725 -14.091 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.994 -12.624 8.705 1.00 0.00 H new ATOM 0 HE ARG A 52 3.959 -13.837 10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.262 -12.747 10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.956 -12.374 12.478 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.572 -13.356 12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.875 -12.717 13.373 1.00 0.00 H new ATOM 816 N ARG A 53 6.788 -12.208 6.616 1.00 0.00 N ATOM 817 CA ARG A 53 7.868 -11.328 7.047 1.00 0.00 C ATOM 818 C ARG A 53 7.976 -10.111 6.132 1.00 0.00 C ATOM 819 O ARG A 53 8.088 -8.979 6.601 1.00 0.00 O ATOM 820 CB ARG A 53 9.196 -12.086 7.064 1.00 0.00 C ATOM 821 CG ARG A 53 10.335 -11.305 7.698 1.00 0.00 C ATOM 822 CD ARG A 53 11.682 -11.948 7.406 1.00 0.00 C ATOM 823 NE ARG A 53 12.761 -10.965 7.365 1.00 0.00 N ATOM 824 CZ ARG A 53 13.291 -10.410 8.450 1.00 0.00 C ATOM 825 NH1 ARG A 53 12.844 -10.740 9.653 1.00 0.00 N ATOM 826 NH2 ARG A 53 14.271 -9.522 8.331 1.00 0.00 N ATOM 0 H ARG A 53 7.084 -13.155 6.379 1.00 0.00 H new ATOM 0 HA ARG A 53 7.641 -10.983 8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.063 -13.022 7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.470 -12.345 6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.330 -10.282 7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.183 -11.249 8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.900 -12.694 8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.634 -12.473 6.452 1.00 0.00 H new ATOM 0 HE ARG A 53 13.128 -10.689 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.091 -11.422 9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.253 -10.312 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.617 -9.266 7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.677 -9.096 9.164 1.00 0.00 H new ATOM 840 N GLU A 54 7.942 -10.354 4.826 1.00 0.00 N ATOM 841 CA GLU A 54 8.037 -9.278 3.847 1.00 0.00 C ATOM 842 C GLU A 54 6.874 -8.302 3.996 1.00 0.00 C ATOM 843 O GLU A 54 7.070 -7.134 4.335 1.00 0.00 O ATOM 844 CB GLU A 54 8.058 -9.851 2.428 1.00 0.00 C ATOM 845 CG GLU A 54 9.455 -10.162 1.918 1.00 0.00 C ATOM 846 CD GLU A 54 10.147 -11.238 2.732 1.00 0.00 C ATOM 847 OE1 GLU A 54 10.094 -11.167 3.977 1.00 0.00 O ATOM 848 OE2 GLU A 54 10.742 -12.152 2.122 1.00 0.00 O ATOM 0 H GLU A 54 7.849 -11.286 4.422 1.00 0.00 H new ATOM 0 HA GLU A 54 8.967 -8.738 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.460 -10.762 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.583 -9.141 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.395 -10.481 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.056 -9.253 1.939 1.00 0.00 H new ATOM 855 N ILE A 55 5.664 -8.788 3.739 1.00 0.00 N ATOM 856 CA ILE A 55 4.470 -7.959 3.845 1.00 0.00 C ATOM 857 C ILE A 55 4.457 -7.179 5.156 1.00 0.00 C ATOM 858 O ILE A 55 4.283 -5.961 5.163 1.00 0.00 O ATOM 859 CB ILE A 55 3.187 -8.806 3.752 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.144 -9.562 2.422 1.00 0.00 C ATOM 861 CG2 ILE A 55 1.957 -7.924 3.906 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.090 -10.646 2.377 1.00 0.00 C ATOM 0 H ILE A 55 5.485 -9.751 3.456 1.00 0.00 H new ATOM 0 HA ILE A 55 4.496 -7.260 3.009 1.00 0.00 H new ATOM 0 HB ILE A 55 3.191 -9.535 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.958 -8.852 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.121 -10.008 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.059 -8.537 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.985 -7.427 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.945 -7.174 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.117 -11.140 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.286 -11.377 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.106 -10.203 2.532 1.00 0.00 H new ATOM 874 N ASP A 56 4.643 -7.890 6.263 1.00 0.00 N ATOM 875 CA ASP A 56 4.656 -7.264 7.580 1.00 0.00 C ATOM 876 C ASP A 56 5.630 -6.091 7.615 1.00 0.00 C ATOM 877 O ASP A 56 5.269 -4.984 8.013 1.00 0.00 O ATOM 878 CB ASP A 56 5.033 -8.289 8.651 1.00 0.00 C ATOM 879 CG ASP A 56 5.225 -7.656 10.015 1.00 0.00 C ATOM 880 OD1 ASP A 56 4.301 -6.957 10.481 1.00 0.00 O ATOM 881 OD2 ASP A 56 6.300 -7.860 10.617 1.00 0.00 O ATOM 0 H ASP A 56 4.787 -8.900 6.274 1.00 0.00 H new ATOM 0 HA ASP A 56 3.654 -6.887 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.254 -9.049 8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.951 -8.797 8.357 1.00 0.00 H new ATOM 886 N ALA A 57 6.866 -6.342 7.196 1.00 0.00 N ATOM 887 CA ALA A 57 7.892 -5.306 7.178 1.00 0.00 C ATOM 888 C ALA A 57 7.454 -4.115 6.334 1.00 0.00 C ATOM 889 O ALA A 57 7.429 -2.980 6.811 1.00 0.00 O ATOM 890 CB ALA A 57 9.204 -5.872 6.656 1.00 0.00 C ATOM 0 H ALA A 57 7.181 -7.254 6.864 1.00 0.00 H new ATOM 0 HA ALA A 57 8.041 -4.958 8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.961 -5.088 6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.532 -6.686 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.061 -6.248 5.643 1.00 0.00 H new ATOM 896 N TRP A 58 7.112 -4.379 5.078 1.00 0.00 N ATOM 897 CA TRP A 58 6.676 -3.327 4.167 1.00 0.00 C ATOM 898 C TRP A 58 5.655 -2.415 4.838 1.00 0.00 C ATOM 899 O TRP A 58 5.898 -1.222 5.020 1.00 0.00 O ATOM 900 CB TRP A 58 6.077 -3.938 2.899 1.00 0.00 C ATOM 901 CG TRP A 58 5.844 -2.935 1.810 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.753 -2.497 0.890 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.621 -2.245 1.528 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.170 -1.576 0.054 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.863 -1.404 0.424 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.346 -2.257 2.100 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.876 -0.584 -0.116 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.368 -1.442 1.563 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.637 -0.616 0.463 1.00 0.00 C ATOM 0 H TRP A 58 7.128 -5.313 4.667 1.00 0.00 H new ATOM 0 HA TRP A 58 7.547 -2.730 3.897 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.744 -4.717 2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.131 -4.420 3.148 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.780 -2.826 0.829 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.635 -1.098 -0.717 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.129 -2.892 2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.081 0.055 -0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.380 -1.441 1.998 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.850 0.008 0.065 1.00 0.00 H new ATOM 920 N PHE A 59 4.510 -2.983 5.204 1.00 0.00 N ATOM 921 CA PHE A 59 3.451 -2.220 5.854 1.00 0.00 C ATOM 922 C PHE A 59 4.021 -1.323 6.949 1.00 0.00 C ATOM 923 O PHE A 59 3.639 -0.160 7.077 1.00 0.00 O ATOM 924 CB PHE A 59 2.403 -3.164 6.446 1.00 0.00 C ATOM 925 CG PHE A 59 1.351 -3.585 5.460 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.700 -4.253 4.297 1.00 0.00 C ATOM 927 CD2 PHE A 59 0.013 -3.313 5.696 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.733 -4.640 3.388 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.958 -3.699 4.790 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.597 -4.364 3.635 1.00 0.00 C ATOM 0 H PHE A 59 4.292 -3.969 5.061 1.00 0.00 H new ATOM 0 HA PHE A 59 2.978 -1.589 5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.903 -4.052 6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.921 -2.674 7.292 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.738 -4.474 4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.275 -2.793 6.598 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.018 -5.158 2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.997 -3.481 4.986 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.353 -4.668 2.926 1.00 0.00 H new ATOM 940 N THR A 60 4.938 -1.874 7.739 1.00 0.00 N ATOM 941 CA THR A 60 5.560 -1.127 8.825 1.00 0.00 C ATOM 942 C THR A 60 6.228 0.142 8.308 1.00 0.00 C ATOM 943 O THR A 60 5.822 1.251 8.651 1.00 0.00 O ATOM 944 CB THR A 60 6.607 -1.980 9.566 1.00 0.00 C ATOM 945 OG1 THR A 60 6.040 -3.243 9.932 1.00 0.00 O ATOM 946 CG2 THR A 60 7.106 -1.262 10.811 1.00 0.00 C ATOM 0 H THR A 60 5.266 -2.835 7.647 1.00 0.00 H new ATOM 0 HA THR A 60 4.764 -0.858 9.520 1.00 0.00 H new ATOM 0 HB THR A 60 7.452 -2.142 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.964 -3.810 9.136 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.844 -1.883 11.318 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.563 -0.315 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.268 -1.073 11.482 1.00 0.00 H new ATOM 954 N GLU A 61 7.253 -0.031 7.479 1.00 0.00 N ATOM 955 CA GLU A 61 7.977 1.102 6.914 1.00 0.00 C ATOM 956 C GLU A 61 7.012 2.113 6.301 1.00 0.00 C ATOM 957 O GLU A 61 7.104 3.313 6.561 1.00 0.00 O ATOM 958 CB GLU A 61 8.973 0.623 5.856 1.00 0.00 C ATOM 959 CG GLU A 61 8.433 0.691 4.437 1.00 0.00 C ATOM 960 CD GLU A 61 9.460 0.278 3.401 1.00 0.00 C ATOM 961 OE1 GLU A 61 10.664 0.518 3.630 1.00 0.00 O ATOM 962 OE2 GLU A 61 9.059 -0.286 2.362 1.00 0.00 O ATOM 0 H GLU A 61 7.600 -0.944 7.184 1.00 0.00 H new ATOM 0 HA GLU A 61 8.523 1.591 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.878 1.227 5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.260 -0.405 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.559 0.045 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.100 1.707 4.228 1.00 0.00 H new ATOM 969 N LYS A 62 6.088 1.619 5.484 1.00 0.00 N ATOM 970 CA LYS A 62 5.105 2.477 4.833 1.00 0.00 C ATOM 971 C LYS A 62 4.554 3.511 5.809 1.00 0.00 C ATOM 972 O LYS A 62 4.256 4.643 5.428 1.00 0.00 O ATOM 973 CB LYS A 62 3.960 1.635 4.265 1.00 0.00 C ATOM 974 CG LYS A 62 4.269 1.024 2.909 1.00 0.00 C ATOM 975 CD LYS A 62 4.298 2.079 1.815 1.00 0.00 C ATOM 976 CE LYS A 62 2.896 2.542 1.451 1.00 0.00 C ATOM 977 NZ LYS A 62 2.900 3.907 0.856 1.00 0.00 N ATOM 0 H LYS A 62 5.999 0.629 5.257 1.00 0.00 H new ATOM 0 HA LYS A 62 5.601 3.002 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.724 0.837 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.070 2.258 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.232 0.514 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.519 0.270 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.890 2.932 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.790 1.674 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.453 1.839 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.269 2.536 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.926 4.186 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.299 4.582 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.478 3.907 -0.009 1.00 0.00 H new ATOM 991 N LYS A 63 4.421 3.116 7.070 1.00 0.00 N ATOM 992 CA LYS A 63 3.908 4.009 8.103 1.00 0.00 C ATOM 993 C LYS A 63 4.824 5.216 8.282 1.00 0.00 C ATOM 994 O LYS A 63 4.376 6.361 8.231 1.00 0.00 O ATOM 995 CB LYS A 63 3.768 3.260 9.430 1.00 0.00 C ATOM 996 CG LYS A 63 2.753 2.131 9.387 1.00 0.00 C ATOM 997 CD LYS A 63 2.817 1.275 10.641 1.00 0.00 C ATOM 998 CE LYS A 63 1.803 0.143 10.596 1.00 0.00 C ATOM 999 NZ LYS A 63 1.945 -0.776 11.759 1.00 0.00 N ATOM 0 H LYS A 63 4.662 2.182 7.402 1.00 0.00 H new ATOM 0 HA LYS A 63 2.927 4.363 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.739 2.854 9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.480 3.967 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.751 2.546 9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.936 1.509 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.820 0.862 10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.631 1.897 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.795 0.558 10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.928 -0.420 9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.236 -1.534 11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.898 -1.192 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.800 -0.244 12.641 1.00 0.00 H new