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 Set 1.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0617 USER MOD Single : A 22 GLN : amide:sc= -2.43! C(o=-2.4!,f=-4.8!) USER MOD Single : A 27 GLN : amide:sc= -2.61! C(o=-2.6!,f=-5!) USER MOD Single : A 29 SER OG : rot 49:sc= -0.295 USER MOD Single : A 32 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.1) USER MOD Single : A 33 SER OG : rot 34:sc= 0.415 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00717 USER MOD Single : A 42 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 48 THR OG1 : rot -54:sc= 1.1 USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= -0.0549 (180deg=-0.342) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 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 ----------------------------------------------------------------- ATOM 258 N THR A 19 7.096 -6.498 -7.153 1.00 0.00 N ATOM 259 CA THR A 19 6.613 -6.148 -8.482 1.00 0.00 C ATOM 260 C THR A 19 5.394 -5.236 -8.402 1.00 0.00 C ATOM 261 O THR A 19 4.694 -5.208 -7.391 1.00 0.00 O ATOM 262 CB THR A 19 6.248 -7.403 -9.297 1.00 0.00 C ATOM 263 OG1 THR A 19 4.894 -7.785 -9.028 1.00 0.00 O ATOM 264 CG2 THR A 19 7.181 -8.557 -8.960 1.00 0.00 C ATOM 0 HA THR A 19 7.425 -5.622 -8.984 1.00 0.00 H new ATOM 0 HB THR A 19 6.355 -7.166 -10.355 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.669 -8.583 -9.551 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.904 -9.432 -9.548 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.208 -8.274 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.100 -8.792 -7.899 1.00 0.00 H new ATOM 272 N ALA A 20 5.147 -4.491 -9.474 1.00 0.00 N ATOM 273 CA ALA A 20 4.010 -3.580 -9.526 1.00 0.00 C ATOM 274 C ALA A 20 2.762 -4.225 -8.933 1.00 0.00 C ATOM 275 O ALA A 20 2.051 -3.608 -8.141 1.00 0.00 O ATOM 276 CB ALA A 20 3.750 -3.141 -10.959 1.00 0.00 C ATOM 0 H ALA A 20 5.719 -4.500 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 20 4.252 -2.702 -8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.898 -2.461 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.631 -2.632 -11.349 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.534 -4.015 -11.574 1.00 0.00 H new ATOM 282 N GLU A 21 2.503 -5.469 -9.322 1.00 0.00 N ATOM 283 CA GLU A 21 1.339 -6.196 -8.829 1.00 0.00 C ATOM 284 C GLU A 21 1.389 -6.338 -7.310 1.00 0.00 C ATOM 285 O GLU A 21 0.415 -6.046 -6.617 1.00 0.00 O ATOM 286 CB GLU A 21 1.260 -7.579 -9.479 1.00 0.00 C ATOM 287 CG GLU A 21 -0.143 -8.160 -9.506 1.00 0.00 C ATOM 288 CD GLU A 21 -0.178 -9.576 -10.046 1.00 0.00 C ATOM 289 OE1 GLU A 21 -0.051 -9.746 -11.277 1.00 0.00 O ATOM 290 OE2 GLU A 21 -0.332 -10.516 -9.238 1.00 0.00 O ATOM 0 H GLU A 21 3.083 -5.994 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 21 0.448 -5.627 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.637 -7.513 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.917 -8.262 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.556 -8.150 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.783 -7.526 -10.119 1.00 0.00 H new ATOM 297 N GLN A 22 2.531 -6.789 -6.802 1.00 0.00 N ATOM 298 CA GLN A 22 2.709 -6.971 -5.366 1.00 0.00 C ATOM 299 C GLN A 22 2.449 -5.669 -4.616 1.00 0.00 C ATOM 300 O GLN A 22 1.768 -5.656 -3.590 1.00 0.00 O ATOM 301 CB GLN A 22 4.121 -7.474 -5.065 1.00 0.00 C ATOM 302 CG GLN A 22 4.427 -8.832 -5.677 1.00 0.00 C ATOM 303 CD GLN A 22 5.564 -9.546 -4.974 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.414 -8.916 -4.345 1.00 0.00 O ATOM 305 NE2 GLN A 22 5.586 -10.870 -5.078 1.00 0.00 N ATOM 0 H GLN A 22 3.347 -7.035 -7.363 1.00 0.00 H new ATOM 0 HA GLN A 22 1.987 -7.714 -5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.843 -6.747 -5.436 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.254 -7.533 -3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.533 -9.454 -5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.679 -8.703 -6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.861 -11.352 -5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.328 -11.405 -4.626 1.00 0.00 H new ATOM 314 N LEU A 23 2.997 -4.575 -5.134 1.00 0.00 N ATOM 315 CA LEU A 23 2.825 -3.266 -4.513 1.00 0.00 C ATOM 316 C LEU A 23 1.377 -2.798 -4.619 1.00 0.00 C ATOM 317 O LEU A 23 0.709 -2.582 -3.608 1.00 0.00 O ATOM 318 CB LEU A 23 3.753 -2.242 -5.170 1.00 0.00 C ATOM 319 CG LEU A 23 5.189 -2.204 -4.645 1.00 0.00 C ATOM 320 CD1 LEU A 23 6.012 -1.184 -5.416 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.204 -1.888 -3.156 1.00 0.00 C ATOM 0 H LEU A 23 3.564 -4.568 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 23 3.082 -3.356 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.784 -2.444 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.315 -1.252 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 23 5.636 -3.187 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.031 -1.171 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.029 -1.453 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.567 -0.196 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.234 -1.865 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.739 -0.917 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.650 -2.655 -2.616 1.00 0.00 H new ATOM 333 N ARG A 24 0.899 -2.647 -5.849 1.00 0.00 N ATOM 334 CA ARG A 24 -0.471 -2.206 -6.088 1.00 0.00 C ATOM 335 C ARG A 24 -1.415 -2.771 -5.031 1.00 0.00 C ATOM 336 O ARG A 24 -2.292 -2.069 -4.528 1.00 0.00 O ATOM 337 CB ARG A 24 -0.932 -2.635 -7.482 1.00 0.00 C ATOM 338 CG ARG A 24 -2.390 -2.315 -7.766 1.00 0.00 C ATOM 339 CD ARG A 24 -2.677 -2.304 -9.260 1.00 0.00 C ATOM 340 NE ARG A 24 -3.953 -1.663 -9.567 1.00 0.00 N ATOM 341 CZ ARG A 24 -5.126 -2.279 -9.473 1.00 0.00 C ATOM 342 NH1 ARG A 24 -5.185 -3.544 -9.082 1.00 0.00 N ATOM 343 NH2 ARG A 24 -6.244 -1.628 -9.771 1.00 0.00 N ATOM 0 H ARG A 24 1.439 -2.823 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.493 -1.118 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.309 -2.143 -8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.776 -3.708 -7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.027 -3.052 -7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.640 -1.344 -7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.874 -1.781 -9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.686 -3.327 -9.635 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.943 -0.689 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.328 -4.047 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.087 -4.014 -9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.202 -0.654 -10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.145 -2.101 -9.699 1.00 0.00 H new ATOM 357 N VAL A 25 -1.230 -4.045 -4.700 1.00 0.00 N ATOM 358 CA VAL A 25 -2.065 -4.705 -3.703 1.00 0.00 C ATOM 359 C VAL A 25 -1.712 -4.239 -2.295 1.00 0.00 C ATOM 360 O VAL A 25 -2.563 -3.723 -1.569 1.00 0.00 O ATOM 361 CB VAL A 25 -1.921 -6.237 -3.776 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.741 -6.903 -2.682 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.334 -6.746 -5.149 1.00 0.00 C ATOM 0 H VAL A 25 -0.509 -4.641 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.097 -4.433 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.874 -6.494 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.627 -7.985 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.393 -6.561 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.792 -6.641 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.226 -7.830 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.374 -6.479 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.699 -6.294 -5.911 1.00 0.00 H new ATOM 373 N LEU A 26 -0.453 -4.423 -1.915 1.00 0.00 N ATOM 374 CA LEU A 26 0.014 -4.020 -0.593 1.00 0.00 C ATOM 375 C LEU A 26 -0.390 -2.581 -0.288 1.00 0.00 C ATOM 376 O LEU A 26 -1.055 -2.313 0.713 1.00 0.00 O ATOM 377 CB LEU A 26 1.534 -4.165 -0.501 1.00 0.00 C ATOM 378 CG LEU A 26 2.081 -5.588 -0.615 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.490 -5.575 -1.186 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.059 -6.278 0.741 1.00 0.00 C ATOM 0 H LEU A 26 0.263 -4.849 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.452 -4.673 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.985 -3.560 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.862 -3.746 0.451 1.00 0.00 H new ATOM 0 HG LEU A 26 1.441 -6.149 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.862 -6.597 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.477 -5.121 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.143 -4.997 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.452 -7.290 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.675 -5.718 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.034 -6.322 1.111 1.00 0.00 H new ATOM 392 N GLN A 27 0.014 -1.661 -1.157 1.00 0.00 N ATOM 393 CA GLN A 27 -0.308 -0.250 -0.981 1.00 0.00 C ATOM 394 C GLN A 27 -1.811 -0.052 -0.810 1.00 0.00 C ATOM 395 O GLN A 27 -2.251 0.829 -0.072 1.00 0.00 O ATOM 396 CB GLN A 27 0.193 0.563 -2.175 1.00 0.00 C ATOM 397 CG GLN A 27 0.582 1.989 -1.821 1.00 0.00 C ATOM 398 CD GLN A 27 -0.599 2.939 -1.845 1.00 0.00 C ATOM 399 OE1 GLN A 27 -0.871 3.634 -0.865 1.00 0.00 O ATOM 400 NE2 GLN A 27 -1.309 2.974 -2.966 1.00 0.00 N ATOM 0 H GLN A 27 0.565 -1.867 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 27 0.192 0.100 -0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.055 0.058 -2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.584 0.586 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.034 2.003 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.340 2.340 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.048 2.381 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.116 3.594 -3.040 1.00 0.00 H new ATOM 409 N ALA A 28 -2.593 -0.876 -1.499 1.00 0.00 N ATOM 410 CA ALA A 28 -4.046 -0.792 -1.422 1.00 0.00 C ATOM 411 C ALA A 28 -4.557 -1.316 -0.084 1.00 0.00 C ATOM 412 O ALA A 28 -5.592 -0.872 0.413 1.00 0.00 O ATOM 413 CB ALA A 28 -4.681 -1.564 -2.570 1.00 0.00 C ATOM 0 H ALA A 28 -2.245 -1.609 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.329 0.258 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.766 -1.493 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.350 -1.142 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.382 -2.611 -2.514 1.00 0.00 H new ATOM 419 N SER A 29 -3.824 -2.263 0.493 1.00 0.00 N ATOM 420 CA SER A 29 -4.206 -2.851 1.772 1.00 0.00 C ATOM 421 C SER A 29 -3.726 -1.985 2.933 1.00 0.00 C ATOM 422 O SER A 29 -4.528 -1.482 3.720 1.00 0.00 O ATOM 423 CB SER A 29 -3.629 -4.262 1.901 1.00 0.00 C ATOM 424 OG SER A 29 -2.411 -4.383 1.187 1.00 0.00 O ATOM 0 H SER A 29 -2.963 -2.639 0.096 1.00 0.00 H new ATOM 0 HA SER A 29 -5.294 -2.906 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.462 -4.495 2.953 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.349 -4.988 1.524 1.00 0.00 H new ATOM 0 HG SER A 29 -1.824 -3.632 1.412 1.00 0.00 H new ATOM 430 N PHE A 30 -2.412 -1.815 3.032 1.00 0.00 N ATOM 431 CA PHE A 30 -1.823 -1.011 4.097 1.00 0.00 C ATOM 432 C PHE A 30 -2.637 0.257 4.334 1.00 0.00 C ATOM 433 O PHE A 30 -2.798 0.701 5.472 1.00 0.00 O ATOM 434 CB PHE A 30 -0.378 -0.646 3.749 1.00 0.00 C ATOM 435 CG PHE A 30 0.166 0.491 4.567 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.793 0.252 5.779 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.051 1.798 4.122 1.00 0.00 C ATOM 438 CE1 PHE A 30 1.294 1.296 6.533 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.550 2.846 4.872 1.00 0.00 C ATOM 440 CZ PHE A 30 1.173 2.595 6.079 1.00 0.00 C ATOM 0 H PHE A 30 -1.735 -2.223 2.388 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.831 -1.603 5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.254 -1.522 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.322 -0.383 2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.891 -0.762 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.434 2.000 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.780 1.096 7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.453 3.861 4.515 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.565 3.412 6.666 1.00 0.00 H new ATOM 450 N LEU A 31 -3.148 0.836 3.253 1.00 0.00 N ATOM 451 CA LEU A 31 -3.945 2.054 3.342 1.00 0.00 C ATOM 452 C LEU A 31 -5.170 1.840 4.225 1.00 0.00 C ATOM 453 O LEU A 31 -5.302 2.458 5.281 1.00 0.00 O ATOM 454 CB LEU A 31 -4.382 2.505 1.947 1.00 0.00 C ATOM 455 CG LEU A 31 -3.306 3.173 1.090 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.701 3.150 -0.378 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.063 4.601 1.557 1.00 0.00 C ATOM 0 H LEU A 31 -3.024 0.481 2.305 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.326 2.831 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.760 1.636 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.215 3.200 2.056 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.378 2.612 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.923 3.630 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.823 2.118 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.641 3.686 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.294 5.061 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.987 5.173 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.733 4.593 2.596 1.00 0.00 H new ATOM 469 N ASN A 32 -6.062 0.958 3.787 1.00 0.00 N ATOM 470 CA ASN A 32 -7.276 0.660 4.539 1.00 0.00 C ATOM 471 C ASN A 32 -7.009 0.701 6.041 1.00 0.00 C ATOM 472 O ASN A 32 -7.769 1.301 6.801 1.00 0.00 O ATOM 473 CB ASN A 32 -7.822 -0.713 4.144 1.00 0.00 C ATOM 474 CG ASN A 32 -9.306 -0.849 4.429 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.907 0.011 5.072 1.00 0.00 O ATOM 476 ND2 ASN A 32 -9.903 -1.934 3.950 1.00 0.00 N ATOM 0 H ASN A 32 -5.967 0.437 2.915 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.018 1.421 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.642 -0.881 3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.278 -1.487 4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.900 -2.080 4.110 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.365 -2.621 3.422 1.00 0.00 H new ATOM 483 N SER A 33 -5.924 0.058 6.461 1.00 0.00 N ATOM 484 CA SER A 33 -5.557 0.017 7.872 1.00 0.00 C ATOM 485 C SER A 33 -4.053 -0.175 8.037 1.00 0.00 C ATOM 486 O SER A 33 -3.498 -1.194 7.626 1.00 0.00 O ATOM 487 CB SER A 33 -6.309 -1.110 8.583 1.00 0.00 C ATOM 488 OG SER A 33 -6.049 -2.361 7.971 1.00 0.00 O ATOM 0 H SER A 33 -5.284 -0.442 5.844 1.00 0.00 H new ATOM 0 HA SER A 33 -5.835 0.970 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.012 -1.145 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.380 -0.907 8.562 1.00 0.00 H new ATOM 0 HG SER A 33 -5.126 -2.378 7.641 1.00 0.00 H new ATOM 494 N SER A 34 -3.399 0.812 8.642 1.00 0.00 N ATOM 495 CA SER A 34 -1.959 0.754 8.859 1.00 0.00 C ATOM 496 C SER A 34 -1.557 -0.576 9.490 1.00 0.00 C ATOM 497 O SER A 34 -0.622 -1.235 9.035 1.00 0.00 O ATOM 498 CB SER A 34 -1.509 1.912 9.752 1.00 0.00 C ATOM 499 OG SER A 34 -2.289 1.976 10.934 1.00 0.00 O ATOM 0 H SER A 34 -3.844 1.661 8.990 1.00 0.00 H new ATOM 0 HA SER A 34 -1.467 0.840 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.458 1.788 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.593 2.851 9.205 1.00 0.00 H new ATOM 0 HG SER A 34 -1.981 2.723 11.489 1.00 0.00 H new ATOM 505 N VAL A 35 -2.271 -0.964 10.542 1.00 0.00 N ATOM 506 CA VAL A 35 -1.991 -2.215 11.236 1.00 0.00 C ATOM 507 C VAL A 35 -2.349 -3.417 10.369 1.00 0.00 C ATOM 508 O VAL A 35 -3.303 -3.372 9.590 1.00 0.00 O ATOM 509 CB VAL A 35 -2.765 -2.306 12.564 1.00 0.00 C ATOM 510 CG1 VAL A 35 -2.038 -1.541 13.660 1.00 0.00 C ATOM 511 CG2 VAL A 35 -4.183 -1.783 12.390 1.00 0.00 C ATOM 0 H VAL A 35 -3.047 -0.430 10.932 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.921 -2.227 11.446 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.821 -3.353 12.861 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.600 -1.617 14.591 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.044 -1.964 13.801 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.949 -0.493 13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.716 -1.855 13.338 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.150 -0.742 12.070 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.700 -2.378 11.637 1.00 0.00 H new ATOM 521 N LEU A 36 -1.580 -4.490 10.508 1.00 0.00 N ATOM 522 CA LEU A 36 -1.816 -5.706 9.738 1.00 0.00 C ATOM 523 C LEU A 36 -2.598 -6.727 10.557 1.00 0.00 C ATOM 524 O LEU A 36 -2.287 -6.974 11.723 1.00 0.00 O ATOM 525 CB LEU A 36 -0.486 -6.311 9.282 1.00 0.00 C ATOM 526 CG LEU A 36 -0.568 -7.332 8.147 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.217 -6.715 6.919 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.817 -7.865 7.809 1.00 0.00 C ATOM 0 H LEU A 36 -0.787 -4.543 11.147 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.408 -5.442 8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.171 -5.500 8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.014 -6.789 10.140 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.186 -8.166 8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.266 -7.457 6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.225 -6.383 7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.626 -5.862 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.740 -8.591 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.458 -7.040 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.246 -8.346 8.688 1.00 0.00 H new ATOM 540 N THR A 37 -3.615 -7.321 9.940 1.00 0.00 N ATOM 541 CA THR A 37 -4.441 -8.316 10.612 1.00 0.00 C ATOM 542 C THR A 37 -4.202 -9.707 10.037 1.00 0.00 C ATOM 543 O THR A 37 -4.139 -9.885 8.820 1.00 0.00 O ATOM 544 CB THR A 37 -5.939 -7.975 10.494 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.291 -7.785 9.119 1.00 0.00 O ATOM 546 CG2 THR A 37 -6.271 -6.719 11.286 1.00 0.00 C ATOM 0 H THR A 37 -3.886 -7.130 8.975 1.00 0.00 H new ATOM 0 HA THR A 37 -4.155 -8.306 11.664 1.00 0.00 H new ATOM 0 HB THR A 37 -6.512 -8.807 10.904 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.245 -7.570 9.052 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.334 -6.497 11.188 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.028 -6.877 12.337 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.689 -5.882 10.901 1.00 0.00 H new ATOM 554 N ASP A 38 -4.070 -10.692 10.919 1.00 0.00 N ATOM 555 CA ASP A 38 -3.840 -12.069 10.499 1.00 0.00 C ATOM 556 C ASP A 38 -4.572 -12.369 9.195 1.00 0.00 C ATOM 557 O ASP A 38 -3.985 -12.895 8.250 1.00 0.00 O ATOM 558 CB ASP A 38 -4.296 -13.041 11.589 1.00 0.00 C ATOM 559 CG ASP A 38 -4.152 -14.490 11.169 1.00 0.00 C ATOM 560 OD1 ASP A 38 -3.149 -14.818 10.503 1.00 0.00 O ATOM 561 OD2 ASP A 38 -5.044 -15.297 11.507 1.00 0.00 O ATOM 0 H ASP A 38 -4.118 -10.562 11.930 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.770 -12.198 10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.712 -12.868 12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.338 -12.840 11.839 1.00 0.00 H new ATOM 566 N GLU A 39 -5.857 -12.032 9.152 1.00 0.00 N ATOM 567 CA GLU A 39 -6.669 -12.268 7.964 1.00 0.00 C ATOM 568 C GLU A 39 -6.062 -11.579 6.745 1.00 0.00 C ATOM 569 O GLU A 39 -5.726 -12.229 5.756 1.00 0.00 O ATOM 570 CB GLU A 39 -8.098 -11.767 8.188 1.00 0.00 C ATOM 571 CG GLU A 39 -8.168 -10.343 8.715 1.00 0.00 C ATOM 572 CD GLU A 39 -9.386 -10.103 9.585 1.00 0.00 C ATOM 573 OE1 GLU A 39 -10.494 -9.953 9.028 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.232 -10.066 10.824 1.00 0.00 O ATOM 0 H GLU A 39 -6.358 -11.595 9.926 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.693 -13.342 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.646 -11.825 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.601 -12.431 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.267 -10.127 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.184 -9.649 7.875 1.00 0.00 H new ATOM 581 N GLU A 40 -5.927 -10.259 6.825 1.00 0.00 N ATOM 582 CA GLU A 40 -5.363 -9.482 5.728 1.00 0.00 C ATOM 583 C GLU A 40 -4.026 -10.065 5.280 1.00 0.00 C ATOM 584 O GLU A 40 -3.771 -10.218 4.084 1.00 0.00 O ATOM 585 CB GLU A 40 -5.179 -8.022 6.148 1.00 0.00 C ATOM 586 CG GLU A 40 -4.562 -7.150 5.068 1.00 0.00 C ATOM 587 CD GLU A 40 -5.495 -6.929 3.893 1.00 0.00 C ATOM 588 OE1 GLU A 40 -6.606 -6.400 4.108 1.00 0.00 O ATOM 589 OE2 GLU A 40 -5.113 -7.284 2.758 1.00 0.00 O ATOM 0 H GLU A 40 -6.200 -9.706 7.637 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.059 -9.527 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.148 -7.608 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.549 -7.985 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.289 -6.186 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.641 -7.614 4.714 1.00 0.00 H new ATOM 596 N LEU A 41 -3.174 -10.388 6.247 1.00 0.00 N ATOM 597 CA LEU A 41 -1.862 -10.954 5.953 1.00 0.00 C ATOM 598 C LEU A 41 -1.990 -12.212 5.100 1.00 0.00 C ATOM 599 O LEU A 41 -1.338 -12.342 4.066 1.00 0.00 O ATOM 600 CB LEU A 41 -1.122 -11.278 7.252 1.00 0.00 C ATOM 601 CG LEU A 41 0.398 -11.398 7.147 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.017 -11.567 8.526 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.780 -12.561 6.243 1.00 0.00 C ATOM 0 H LEU A 41 -3.368 -10.268 7.241 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.292 -10.214 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.356 -10.503 7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.514 -12.216 7.646 1.00 0.00 H new ATOM 0 HG LEU A 41 0.786 -10.479 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.100 -11.651 8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.773 -10.702 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.623 -12.469 8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.866 -12.631 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.380 -13.488 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.368 -12.398 5.247 1.00 0.00 H new ATOM 615 N ASN A 42 -2.838 -13.136 5.542 1.00 0.00 N ATOM 616 CA ASN A 42 -3.053 -14.384 4.818 1.00 0.00 C ATOM 617 C ASN A 42 -3.328 -14.116 3.342 1.00 0.00 C ATOM 618 O ASN A 42 -2.614 -14.607 2.467 1.00 0.00 O ATOM 619 CB ASN A 42 -4.219 -15.160 5.433 1.00 0.00 C ATOM 620 CG ASN A 42 -3.783 -16.040 6.589 1.00 0.00 C ATOM 621 OD1 ASN A 42 -3.103 -17.047 6.394 1.00 0.00 O ATOM 622 ND2 ASN A 42 -4.173 -15.662 7.800 1.00 0.00 N ATOM 0 H ASN A 42 -3.387 -13.044 6.397 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.145 -14.982 4.897 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.976 -14.457 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.686 -15.778 4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.909 -16.214 8.616 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.736 -14.819 7.915 1.00 0.00 H new ATOM 629 N ARG A 43 -4.368 -13.333 3.072 1.00 0.00 N ATOM 630 CA ARG A 43 -4.738 -13.000 1.702 1.00 0.00 C ATOM 631 C ARG A 43 -3.538 -12.461 0.930 1.00 0.00 C ATOM 632 O ARG A 43 -3.125 -13.036 -0.078 1.00 0.00 O ATOM 633 CB ARG A 43 -5.869 -11.969 1.693 1.00 0.00 C ATOM 634 CG ARG A 43 -7.256 -12.586 1.756 1.00 0.00 C ATOM 635 CD ARG A 43 -7.667 -12.888 3.189 1.00 0.00 C ATOM 636 NE ARG A 43 -8.747 -13.869 3.253 1.00 0.00 N ATOM 637 CZ ARG A 43 -9.520 -14.042 4.320 1.00 0.00 C ATOM 638 NH1 ARG A 43 -9.333 -13.304 5.405 1.00 0.00 N ATOM 639 NH2 ARG A 43 -10.483 -14.955 4.302 1.00 0.00 N ATOM 0 H ARG A 43 -4.969 -12.918 3.784 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.082 -13.912 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.742 -11.295 2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.790 -11.364 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.979 -11.906 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.274 -13.505 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.805 -13.261 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.985 -11.967 3.677 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.917 -14.453 2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.594 -12.601 5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.928 -13.439 6.222 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.630 -15.525 3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.076 -15.087 5.121 1.00 0.00 H new ATOM 653 N LEU A 44 -2.982 -11.353 1.409 1.00 0.00 N ATOM 654 CA LEU A 44 -1.829 -10.735 0.764 1.00 0.00 C ATOM 655 C LEU A 44 -0.730 -11.763 0.512 1.00 0.00 C ATOM 656 O LEU A 44 -0.075 -11.743 -0.530 1.00 0.00 O ATOM 657 CB LEU A 44 -1.287 -9.594 1.627 1.00 0.00 C ATOM 658 CG LEU A 44 -2.255 -8.442 1.900 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.652 -7.463 2.896 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.618 -7.732 0.605 1.00 0.00 C ATOM 0 H LEU A 44 -3.311 -10.865 2.242 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.153 -10.334 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.968 -10.008 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.399 -9.189 1.142 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.167 -8.854 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.355 -6.650 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.444 -7.979 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.725 -7.057 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.308 -6.915 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.715 -7.333 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.092 -8.438 -0.077 1.00 0.00 H new ATOM 672 N ARG A 45 -0.536 -12.661 1.472 1.00 0.00 N ATOM 673 CA ARG A 45 0.482 -13.697 1.354 1.00 0.00 C ATOM 674 C ARG A 45 0.269 -14.528 0.092 1.00 0.00 C ATOM 675 O ARG A 45 1.222 -15.041 -0.494 1.00 0.00 O ATOM 676 CB ARG A 45 0.461 -14.606 2.585 1.00 0.00 C ATOM 677 CG ARG A 45 1.817 -15.200 2.927 1.00 0.00 C ATOM 678 CD ARG A 45 1.804 -15.869 4.293 1.00 0.00 C ATOM 679 NE ARG A 45 1.250 -17.219 4.236 1.00 0.00 N ATOM 680 CZ ARG A 45 1.842 -18.230 3.610 1.00 0.00 C ATOM 681 NH1 ARG A 45 3.000 -18.045 2.991 1.00 0.00 N ATOM 682 NH2 ARG A 45 1.276 -19.430 3.602 1.00 0.00 N ATOM 0 H ARG A 45 -1.071 -12.692 2.340 1.00 0.00 H new ATOM 0 HA ARG A 45 1.454 -13.209 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.097 -14.037 3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.249 -15.416 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.099 -15.928 2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.573 -14.415 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.820 -15.910 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.218 -15.266 4.987 1.00 0.00 H new ATOM 0 HE ARG A 45 0.360 -17.395 4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.439 -17.124 2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.452 -18.823 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.385 -19.577 4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.732 -20.206 3.121 1.00 0.00 H new ATOM 696 N ALA A 46 -0.988 -14.655 -0.322 1.00 0.00 N ATOM 697 CA ALA A 46 -1.326 -15.421 -1.515 1.00 0.00 C ATOM 698 C ALA A 46 -1.427 -14.516 -2.738 1.00 0.00 C ATOM 699 O ALA A 46 -1.079 -14.917 -3.848 1.00 0.00 O ATOM 700 CB ALA A 46 -2.630 -16.176 -1.305 1.00 0.00 C ATOM 0 H ALA A 46 -1.789 -14.237 0.152 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.527 -16.141 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.870 -16.744 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.523 -16.859 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.432 -15.467 -1.098 1.00 0.00 H new ATOM 706 N GLN A 47 -1.907 -13.294 -2.526 1.00 0.00 N ATOM 707 CA GLN A 47 -2.055 -12.334 -3.613 1.00 0.00 C ATOM 708 C GLN A 47 -0.694 -11.891 -4.138 1.00 0.00 C ATOM 709 O GLN A 47 -0.401 -12.022 -5.327 1.00 0.00 O ATOM 710 CB GLN A 47 -2.854 -11.117 -3.141 1.00 0.00 C ATOM 711 CG GLN A 47 -4.359 -11.316 -3.202 1.00 0.00 C ATOM 712 CD GLN A 47 -5.128 -10.035 -2.946 1.00 0.00 C ATOM 713 OE1 GLN A 47 -5.165 -9.140 -3.791 1.00 0.00 O ATOM 714 NE2 GLN A 47 -5.748 -9.941 -1.776 1.00 0.00 N ATOM 0 H GLN A 47 -2.199 -12.946 -1.613 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.595 -12.822 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.568 -10.881 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.585 -10.256 -3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.630 -11.708 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.653 -12.065 -2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.690 -10.707 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.282 -9.102 -1.548 1.00 0.00 H new ATOM 723 N THR A 48 0.138 -11.365 -3.243 1.00 0.00 N ATOM 724 CA THR A 48 1.468 -10.901 -3.616 1.00 0.00 C ATOM 725 C THR A 48 2.469 -12.051 -3.623 1.00 0.00 C ATOM 726 O THR A 48 3.629 -11.876 -3.997 1.00 0.00 O ATOM 727 CB THR A 48 1.970 -9.804 -2.658 1.00 0.00 C ATOM 728 OG1 THR A 48 2.200 -10.358 -1.357 1.00 0.00 O ATOM 729 CG2 THR A 48 0.962 -8.669 -2.560 1.00 0.00 C ATOM 0 H THR A 48 -0.087 -11.250 -2.255 1.00 0.00 H new ATOM 0 HA THR A 48 1.388 -10.486 -4.621 1.00 0.00 H new ATOM 0 HB THR A 48 2.904 -9.406 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.391 -10.817 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.338 -7.906 -1.878 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.810 -8.231 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.014 -9.055 -2.185 1.00 0.00 H new ATOM 737 N LYS A 49 2.014 -13.228 -3.207 1.00 0.00 N ATOM 738 CA LYS A 49 2.869 -14.408 -3.167 1.00 0.00 C ATOM 739 C LYS A 49 4.123 -14.144 -2.339 1.00 0.00 C ATOM 740 O LYS A 49 5.173 -14.743 -2.576 1.00 0.00 O ATOM 741 CB LYS A 49 3.261 -14.829 -4.585 1.00 0.00 C ATOM 742 CG LYS A 49 2.095 -15.345 -5.410 1.00 0.00 C ATOM 743 CD LYS A 49 1.777 -16.794 -5.081 1.00 0.00 C ATOM 744 CE LYS A 49 0.995 -17.462 -6.202 1.00 0.00 C ATOM 745 NZ LYS A 49 1.820 -17.629 -7.430 1.00 0.00 N ATOM 0 H LYS A 49 1.057 -13.390 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 49 2.308 -15.216 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.709 -13.977 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.025 -15.604 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.216 -14.728 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.330 -15.255 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.704 -17.340 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.201 -16.840 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.641 -18.437 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.113 -16.865 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.408 -18.375 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.840 -16.734 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.789 -17.895 -7.163 1.00 0.00 H new ATOM 759 N LEU A 50 4.006 -13.246 -1.367 1.00 0.00 N ATOM 760 CA LEU A 50 5.130 -12.904 -0.503 1.00 0.00 C ATOM 761 C LEU A 50 5.045 -13.653 0.823 1.00 0.00 C ATOM 762 O LEU A 50 4.166 -14.492 1.020 1.00 0.00 O ATOM 763 CB LEU A 50 5.163 -11.396 -0.248 1.00 0.00 C ATOM 764 CG LEU A 50 5.635 -10.529 -1.416 1.00 0.00 C ATOM 765 CD1 LEU A 50 5.483 -9.053 -1.080 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.080 -10.851 -1.769 1.00 0.00 C ATOM 0 H LEU A 50 3.144 -12.742 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 50 6.049 -13.201 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.161 -11.074 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.813 -11.206 0.606 1.00 0.00 H new ATOM 0 HG LEU A 50 5.012 -10.750 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.824 -8.451 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.435 -8.832 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.081 -8.817 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.399 -10.225 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.717 -10.659 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.160 -11.900 -2.052 1.00 0.00 H new ATOM 778 N THR A 51 5.965 -13.343 1.732 1.00 0.00 N ATOM 779 CA THR A 51 5.994 -13.986 3.040 1.00 0.00 C ATOM 780 C THR A 51 5.653 -12.995 4.147 1.00 0.00 C ATOM 781 O THR A 51 6.023 -11.823 4.080 1.00 0.00 O ATOM 782 CB THR A 51 7.373 -14.608 3.330 1.00 0.00 C ATOM 783 OG1 THR A 51 7.369 -15.227 4.621 1.00 0.00 O ATOM 784 CG2 THR A 51 8.466 -13.551 3.272 1.00 0.00 C ATOM 0 H THR A 51 6.700 -12.651 1.586 1.00 0.00 H new ATOM 0 HA THR A 51 5.244 -14.777 3.020 1.00 0.00 H new ATOM 0 HB THR A 51 7.576 -15.360 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.249 -15.622 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.431 -14.014 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.485 -13.102 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.266 -12.779 4.015 1.00 0.00 H new ATOM 792 N ARG A 52 4.945 -13.473 5.165 1.00 0.00 N ATOM 793 CA ARG A 52 4.554 -12.628 6.287 1.00 0.00 C ATOM 794 C ARG A 52 5.630 -11.590 6.587 1.00 0.00 C ATOM 795 O ARG A 52 5.335 -10.407 6.761 1.00 0.00 O ATOM 796 CB ARG A 52 4.293 -13.482 7.530 1.00 0.00 C ATOM 797 CG ARG A 52 5.484 -14.330 7.946 1.00 0.00 C ATOM 798 CD ARG A 52 5.042 -15.609 8.640 1.00 0.00 C ATOM 799 NE ARG A 52 6.026 -16.070 9.616 1.00 0.00 N ATOM 800 CZ ARG A 52 7.181 -16.637 9.283 1.00 0.00 C ATOM 801 NH1 ARG A 52 7.495 -16.810 8.007 1.00 0.00 N ATOM 802 NH2 ARG A 52 8.024 -17.031 10.229 1.00 0.00 N ATOM 0 H ARG A 52 4.630 -14.441 5.236 1.00 0.00 H new ATOM 0 HA ARG A 52 3.637 -12.106 6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.016 -12.829 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.441 -14.135 7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.080 -14.579 7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.126 -13.755 8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.088 -15.439 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.878 -16.388 7.895 1.00 0.00 H new ATOM 0 HE ARG A 52 5.815 -15.950 10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.849 -16.508 7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.382 -17.245 7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.786 -16.899 11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.910 -17.466 9.973 1.00 0.00 H new ATOM 816 N ARG A 53 6.879 -12.040 6.646 1.00 0.00 N ATOM 817 CA ARG A 53 8.000 -11.150 6.926 1.00 0.00 C ATOM 818 C ARG A 53 7.998 -9.957 5.974 1.00 0.00 C ATOM 819 O ARG A 53 7.899 -8.808 6.404 1.00 0.00 O ATOM 820 CB ARG A 53 9.323 -11.908 6.808 1.00 0.00 C ATOM 821 CG ARG A 53 10.500 -11.182 7.439 1.00 0.00 C ATOM 822 CD ARG A 53 10.411 -11.191 8.957 1.00 0.00 C ATOM 823 NE ARG A 53 10.907 -12.441 9.527 1.00 0.00 N ATOM 824 CZ ARG A 53 10.805 -12.753 10.814 1.00 0.00 C ATOM 825 NH1 ARG A 53 10.229 -11.911 11.660 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.280 -13.910 11.257 1.00 0.00 N ATOM 0 H ARG A 53 7.140 -13.016 6.504 1.00 0.00 H new ATOM 0 HA ARG A 53 7.891 -10.780 7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.215 -12.885 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.538 -12.084 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.431 -11.654 7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.528 -10.153 7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.985 -10.356 9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.375 -11.040 9.260 1.00 0.00 H new ATOM 0 HE ARG A 53 11.356 -13.111 8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.863 -11.021 11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.152 -12.153 12.648 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.724 -14.561 10.609 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.201 -14.149 12.246 1.00 0.00 H new ATOM 840 N GLU A 54 8.109 -10.239 4.680 1.00 0.00 N ATOM 841 CA GLU A 54 8.122 -9.189 3.668 1.00 0.00 C ATOM 842 C GLU A 54 6.941 -8.241 3.853 1.00 0.00 C ATOM 843 O GLU A 54 7.122 -7.045 4.086 1.00 0.00 O ATOM 844 CB GLU A 54 8.084 -9.801 2.266 1.00 0.00 C ATOM 845 CG GLU A 54 8.824 -8.979 1.224 1.00 0.00 C ATOM 846 CD GLU A 54 9.257 -9.806 0.029 1.00 0.00 C ATOM 847 OE1 GLU A 54 9.224 -11.051 0.125 1.00 0.00 O ATOM 848 OE2 GLU A 54 9.628 -9.208 -1.003 1.00 0.00 O ATOM 0 H GLU A 54 8.191 -11.185 4.308 1.00 0.00 H new ATOM 0 HA GLU A 54 9.044 -8.620 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.517 -10.801 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.045 -9.915 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.182 -8.166 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.701 -8.523 1.682 1.00 0.00 H new ATOM 855 N ILE A 55 5.732 -8.783 3.748 1.00 0.00 N ATOM 856 CA ILE A 55 4.522 -7.986 3.904 1.00 0.00 C ATOM 857 C ILE A 55 4.530 -7.228 5.227 1.00 0.00 C ATOM 858 O ILE A 55 4.591 -5.999 5.250 1.00 0.00 O ATOM 859 CB ILE A 55 3.258 -8.863 3.835 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.229 -9.652 2.525 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.009 -8.004 3.970 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.115 -10.674 2.459 1.00 0.00 C ATOM 0 H ILE A 55 5.565 -9.771 3.556 1.00 0.00 H new ATOM 0 HA ILE A 55 4.505 -7.273 3.080 1.00 0.00 H new ATOM 0 HB ILE A 55 3.280 -9.571 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.122 -8.956 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.185 -10.160 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.124 -8.638 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.028 -7.483 4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.980 -7.275 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.156 -11.195 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.233 -11.393 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.153 -10.171 2.557 1.00 0.00 H new ATOM 874 N ASP A 56 4.469 -7.969 6.328 1.00 0.00 N ATOM 875 CA ASP A 56 4.472 -7.368 7.656 1.00 0.00 C ATOM 876 C ASP A 56 5.482 -6.227 7.734 1.00 0.00 C ATOM 877 O ASP A 56 5.122 -5.085 8.019 1.00 0.00 O ATOM 878 CB ASP A 56 4.793 -8.422 8.716 1.00 0.00 C ATOM 879 CG ASP A 56 4.800 -7.849 10.120 1.00 0.00 C ATOM 880 OD1 ASP A 56 5.147 -6.660 10.273 1.00 0.00 O ATOM 881 OD2 ASP A 56 4.459 -8.590 11.066 1.00 0.00 O ATOM 0 H ASP A 56 4.417 -8.988 6.327 1.00 0.00 H new ATOM 0 HA ASP A 56 3.478 -6.964 7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.059 -9.226 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.766 -8.863 8.502 1.00 0.00 H new ATOM 886 N ALA A 57 6.747 -6.545 7.479 1.00 0.00 N ATOM 887 CA ALA A 57 7.808 -5.547 7.519 1.00 0.00 C ATOM 888 C ALA A 57 7.451 -4.331 6.672 1.00 0.00 C ATOM 889 O ALA A 57 7.467 -3.199 7.155 1.00 0.00 O ATOM 890 CB ALA A 57 9.121 -6.154 7.048 1.00 0.00 C ATOM 0 H ALA A 57 7.062 -7.486 7.243 1.00 0.00 H new ATOM 0 HA ALA A 57 7.923 -5.216 8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.905 -5.397 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.391 -6.986 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.009 -6.514 6.025 1.00 0.00 H new ATOM 896 N TRP A 58 7.129 -4.572 5.406 1.00 0.00 N ATOM 897 CA TRP A 58 6.768 -3.495 4.491 1.00 0.00 C ATOM 898 C TRP A 58 5.800 -2.520 5.152 1.00 0.00 C ATOM 899 O TRP A 58 6.136 -1.359 5.385 1.00 0.00 O ATOM 900 CB TRP A 58 6.143 -4.068 3.218 1.00 0.00 C ATOM 901 CG TRP A 58 5.946 -3.045 2.140 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.859 -2.657 1.201 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.763 -2.279 1.893 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.314 -1.696 0.385 1.00 0.00 N ATOM 905 CE2 TRP A 58 5.029 -1.446 0.788 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.503 -2.216 2.495 1.00 0.00 C ATOM 907 CZ2 TRP A 58 4.082 -0.563 0.276 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.565 -1.338 1.987 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.857 -0.522 0.886 1.00 0.00 C ATOM 0 H TRP A 58 7.111 -5.503 4.990 1.00 0.00 H new ATOM 0 HA TRP A 58 7.677 -2.954 4.230 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.779 -4.868 2.838 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.180 -4.516 3.464 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.862 -3.048 1.113 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.789 -1.242 -0.395 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.267 -2.843 3.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.306 0.067 -0.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.589 -1.280 2.447 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.101 0.152 0.511 1.00 0.00 H new ATOM 920 N PHE A 59 4.597 -2.999 5.453 1.00 0.00 N ATOM 921 CA PHE A 59 3.580 -2.169 6.087 1.00 0.00 C ATOM 922 C PHE A 59 4.216 -1.173 7.053 1.00 0.00 C ATOM 923 O PHE A 59 3.877 0.011 7.055 1.00 0.00 O ATOM 924 CB PHE A 59 2.569 -3.043 6.831 1.00 0.00 C ATOM 925 CG PHE A 59 1.435 -3.516 5.967 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.684 -4.195 4.785 1.00 0.00 C ATOM 927 CD2 PHE A 59 0.120 -3.281 6.336 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.642 -4.630 3.988 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.926 -3.714 5.543 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.664 -4.391 4.368 1.00 0.00 C ATOM 0 H PHE A 59 4.303 -3.958 5.268 1.00 0.00 H new ATOM 0 HA PHE A 59 3.063 -1.612 5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.085 -3.909 7.245 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.164 -2.480 7.672 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.703 -4.386 4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.090 -2.753 7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.849 -5.157 3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.946 -3.523 5.842 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.479 -4.733 3.747 1.00 0.00 H new ATOM 940 N THR A 60 5.141 -1.662 7.874 1.00 0.00 N ATOM 941 CA THR A 60 5.823 -0.817 8.846 1.00 0.00 C ATOM 942 C THR A 60 6.428 0.412 8.177 1.00 0.00 C ATOM 943 O THR A 60 5.949 1.530 8.363 1.00 0.00 O ATOM 944 CB THR A 60 6.936 -1.589 9.578 1.00 0.00 C ATOM 945 OG1 THR A 60 6.410 -2.801 10.130 1.00 0.00 O ATOM 946 CG2 THR A 60 7.543 -0.743 10.687 1.00 0.00 C ATOM 0 H THR A 60 5.435 -2.639 7.885 1.00 0.00 H new ATOM 0 HA THR A 60 5.073 -0.501 9.571 1.00 0.00 H new ATOM 0 HB THR A 60 7.717 -1.828 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.124 -3.287 10.592 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.327 -1.310 11.190 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.969 0.165 10.260 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.769 -0.477 11.407 1.00 0.00 H new ATOM 954 N GLU A 61 7.483 0.197 7.397 1.00 0.00 N ATOM 955 CA GLU A 61 8.153 1.289 6.701 1.00 0.00 C ATOM 956 C GLU A 61 7.137 2.270 6.123 1.00 0.00 C ATOM 957 O GLU A 61 7.235 3.479 6.335 1.00 0.00 O ATOM 958 CB GLU A 61 9.042 0.741 5.582 1.00 0.00 C ATOM 959 CG GLU A 61 8.365 0.718 4.222 1.00 0.00 C ATOM 960 CD GLU A 61 9.310 0.320 3.106 1.00 0.00 C ATOM 961 OE1 GLU A 61 9.579 -0.891 2.961 1.00 0.00 O ATOM 962 OE2 GLU A 61 9.782 1.218 2.378 1.00 0.00 O ATOM 0 H GLU A 61 7.892 -0.723 7.231 1.00 0.00 H new ATOM 0 HA GLU A 61 8.775 1.819 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.946 1.347 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.354 -0.271 5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.527 0.021 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.952 1.704 4.009 1.00 0.00 H new ATOM 969 N LYS A 62 6.162 1.742 5.392 1.00 0.00 N ATOM 970 CA LYS A 62 5.126 2.569 4.784 1.00 0.00 C ATOM 971 C LYS A 62 4.707 3.694 5.724 1.00 0.00 C ATOM 972 O LYS A 62 4.670 4.861 5.334 1.00 0.00 O ATOM 973 CB LYS A 62 3.911 1.714 4.420 1.00 0.00 C ATOM 974 CG LYS A 62 3.110 2.262 3.251 1.00 0.00 C ATOM 975 CD LYS A 62 3.925 2.264 1.969 1.00 0.00 C ATOM 976 CE LYS A 62 3.058 2.573 0.758 1.00 0.00 C ATOM 977 NZ LYS A 62 2.957 4.037 0.506 1.00 0.00 N ATOM 0 H LYS A 62 6.067 0.744 5.206 1.00 0.00 H new ATOM 0 HA LYS A 62 5.535 3.012 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.246 0.705 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.260 1.634 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.211 1.661 3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.783 3.277 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.723 3.003 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.402 1.293 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.474 2.081 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.060 2.161 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.358 4.205 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.536 4.504 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.906 4.426 0.334 1.00 0.00 H new ATOM 991 N LYS A 63 4.393 3.336 6.965 1.00 0.00 N ATOM 992 CA LYS A 63 3.978 4.316 7.962 1.00 0.00 C ATOM 993 C LYS A 63 4.843 5.570 7.885 1.00 0.00 C ATOM 994 O LYS A 63 4.340 6.690 7.978 1.00 0.00 O ATOM 995 CB LYS A 63 4.062 3.712 9.366 1.00 0.00 C ATOM 996 CG LYS A 63 2.942 2.734 9.675 1.00 0.00 C ATOM 997 CD LYS A 63 3.178 2.013 10.992 1.00 0.00 C ATOM 998 CE LYS A 63 1.942 1.247 11.438 1.00 0.00 C ATOM 999 NZ LYS A 63 1.034 2.092 12.262 1.00 0.00 N ATOM 0 H LYS A 63 4.418 2.374 7.304 1.00 0.00 H new ATOM 0 HA LYS A 63 2.945 4.595 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.019 3.202 9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.043 4.517 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.993 3.268 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.862 2.004 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.016 1.324 10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.456 2.736 11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.404 0.883 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.245 0.372 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.204 1.534 12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.539 2.419 13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.725 2.914 11.705 1.00 0.00 H new