USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 634 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 86 HIS : no HD1:sc= 0.388 K(o=1.8,f=-4.2) USER MOD Set 1.2: A 91 THR OG1 : rot -107:sc= 1.41 USER MOD Single : A 27 GLN : amide:sc=-0.00286 X(o=-0.0029,f=-0.34) USER MOD Single : A 33 HIS : no HE2:sc= -0.338 K(o=-0.34,f=-0.91) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.44) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.888 F(o=-1.9!,f=-0.89) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= -0.312 (180deg=-1.69!) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= 0.872 (180deg=0.472) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0.055 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.579 F(o=-2.8!,f=-0.58) USER MOD Single : A 87 SER OG : rot -70:sc= -0.196 USER MOD Single : A 90 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.19) USER MOD Single : A 93 THR OG1 : rot 26:sc= 0.0601 USER MOD Single : A 95 ASN : amide:sc= -0.139 K(o=-0.14,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 328 N LEU A 21 11.057 1.930 -3.127 1.00 44.00 N ATOM 329 CA LEU A 21 9.730 1.765 -3.760 1.00 43.12 C ATOM 330 C LEU A 21 8.601 2.048 -2.753 1.00 74.31 C ATOM 331 O LEU A 21 7.466 2.307 -3.148 1.00 31.01 O ATOM 332 CB LEU A 21 9.541 0.342 -4.393 1.00 15.13 C ATOM 333 CG LEU A 21 9.340 -0.890 -3.424 1.00 74.41 C ATOM 334 CD1 LEU A 21 8.837 -2.136 -4.200 1.00 71.23 C ATOM 335 CD2 LEU A 21 10.626 -1.233 -2.634 1.00 20.11 C ATOM 0 HA LEU A 21 9.679 2.494 -4.569 1.00 43.12 H new ATOM 0 HB2 LEU A 21 8.678 0.386 -5.058 1.00 15.13 H new ATOM 0 HB3 LEU A 21 10.412 0.137 -5.015 1.00 15.13 H new ATOM 0 HG LEU A 21 8.579 -0.596 -2.701 1.00 74.41 H new ATOM 0 HD11 LEU A 21 8.708 -2.968 -3.508 1.00 71.23 H new ATOM 0 HD12 LEU A 21 7.883 -1.908 -4.675 1.00 71.23 H new ATOM 0 HD13 LEU A 21 9.566 -2.409 -4.963 1.00 71.23 H new ATOM 0 HD21 LEU A 21 10.436 -2.086 -1.983 1.00 20.11 H new ATOM 0 HD22 LEU A 21 11.426 -1.480 -3.331 1.00 20.11 H new ATOM 0 HD23 LEU A 21 10.922 -0.375 -2.031 1.00 20.11 H new ATOM 347 N LEU A 22 8.929 1.992 -1.449 1.00 12.41 N ATOM 348 CA LEU A 22 7.961 2.225 -0.364 1.00 63.03 C ATOM 349 C LEU A 22 7.688 3.732 -0.163 1.00 74.25 C ATOM 350 O LEU A 22 6.557 4.129 0.113 1.00 3.21 O ATOM 351 CB LEU A 22 8.481 1.601 0.955 1.00 22.52 C ATOM 352 CG LEU A 22 8.848 0.084 0.906 1.00 61.02 C ATOM 353 CD1 LEU A 22 9.354 -0.404 2.281 1.00 62.01 C ATOM 354 CD2 LEU A 22 7.666 -0.776 0.392 1.00 55.33 C ATOM 0 H LEU A 22 9.872 1.784 -1.119 1.00 12.41 H new ATOM 0 HA LEU A 22 7.022 1.748 -0.646 1.00 63.03 H new ATOM 0 HB2 LEU A 22 9.364 2.156 1.271 1.00 22.52 H new ATOM 0 HB3 LEU A 22 7.722 1.745 1.724 1.00 22.52 H new ATOM 0 HG LEU A 22 9.661 -0.038 0.190 1.00 61.02 H new ATOM 0 HD11 LEU A 22 9.603 -1.463 2.222 1.00 62.01 H new ATOM 0 HD12 LEU A 22 10.241 0.162 2.564 1.00 62.01 H new ATOM 0 HD13 LEU A 22 8.575 -0.256 3.029 1.00 62.01 H new ATOM 0 HD21 LEU A 22 7.961 -1.825 0.372 1.00 55.33 H new ATOM 0 HD22 LEU A 22 6.810 -0.652 1.056 1.00 55.33 H new ATOM 0 HD23 LEU A 22 7.394 -0.457 -0.614 1.00 55.33 H new ATOM 366 N GLU A 23 8.743 4.562 -0.328 1.00 45.34 N ATOM 367 CA GLU A 23 8.675 6.025 -0.088 1.00 45.23 C ATOM 368 C GLU A 23 7.700 6.701 -1.062 1.00 64.32 C ATOM 369 O GLU A 23 6.940 7.592 -0.670 1.00 22.14 O ATOM 370 CB GLU A 23 10.081 6.665 -0.199 1.00 64.23 C ATOM 371 CG GLU A 23 10.138 8.157 0.199 1.00 35.41 C ATOM 372 CD GLU A 23 11.548 8.755 0.079 1.00 44.12 C ATOM 373 OE1 GLU A 23 12.365 8.563 1.004 1.00 60.21 O ATOM 374 OE2 GLU A 23 11.842 9.424 -0.933 1.00 42.22 O ATOM 0 H GLU A 23 9.663 4.240 -0.630 1.00 45.34 H new ATOM 0 HA GLU A 23 8.303 6.179 0.925 1.00 45.23 H new ATOM 0 HB2 GLU A 23 10.772 6.107 0.433 1.00 64.23 H new ATOM 0 HB3 GLU A 23 10.434 6.562 -1.225 1.00 64.23 H new ATOM 0 HG2 GLU A 23 9.454 8.723 -0.434 1.00 35.41 H new ATOM 0 HG3 GLU A 23 9.788 8.268 1.225 1.00 35.41 H new ATOM 381 N ARG A 24 7.708 6.241 -2.327 1.00 4.13 N ATOM 382 CA ARG A 24 6.794 6.755 -3.361 1.00 65.42 C ATOM 383 C ARG A 24 5.346 6.295 -3.089 1.00 74.21 C ATOM 384 O ARG A 24 4.390 6.928 -3.552 1.00 21.25 O ATOM 385 CB ARG A 24 7.255 6.331 -4.782 1.00 22.31 C ATOM 386 CG ARG A 24 7.129 4.823 -5.106 1.00 24.42 C ATOM 387 CD ARG A 24 7.572 4.484 -6.544 1.00 41.40 C ATOM 388 NE ARG A 24 6.933 5.362 -7.546 1.00 2.23 N ATOM 389 CZ ARG A 24 6.096 4.973 -8.523 1.00 73.43 C ATOM 390 NH1 ARG A 24 5.770 3.695 -8.686 1.00 44.21 N ATOM 391 NH2 ARG A 24 5.586 5.881 -9.341 1.00 50.23 N ATOM 0 H ARG A 24 8.340 5.512 -2.657 1.00 4.13 H new ATOM 0 HA ARG A 24 6.818 7.844 -3.318 1.00 65.42 H new ATOM 0 HB2 ARG A 24 6.674 6.891 -5.515 1.00 22.31 H new ATOM 0 HB3 ARG A 24 8.297 6.625 -4.909 1.00 22.31 H new ATOM 0 HG2 ARG A 24 7.733 4.252 -4.400 1.00 24.42 H new ATOM 0 HG3 ARG A 24 6.094 4.511 -4.966 1.00 24.42 H new ATOM 0 HD2 ARG A 24 8.655 4.577 -6.620 1.00 41.40 H new ATOM 0 HD3 ARG A 24 7.325 3.445 -6.763 1.00 41.40 H new ATOM 0 HE ARG A 24 7.147 6.358 -7.491 1.00 2.23 H new ATOM 0 HH11 ARG A 24 6.157 2.986 -8.063 1.00 44.21 H new ATOM 0 HH12 ARG A 24 5.133 3.423 -9.434 1.00 44.21 H new ATOM 0 HH21 ARG A 24 5.829 6.865 -9.226 1.00 50.23 H new ATOM 0 HH22 ARG A 24 4.950 5.596 -10.086 1.00 50.23 H new ATOM 405 N LEU A 25 5.191 5.191 -2.320 1.00 23.20 N ATOM 406 CA LEU A 25 3.874 4.723 -1.847 1.00 53.33 C ATOM 407 C LEU A 25 3.419 5.589 -0.663 1.00 25.05 C ATOM 408 O LEU A 25 2.230 5.871 -0.526 1.00 11.14 O ATOM 409 CB LEU A 25 3.910 3.199 -1.465 1.00 55.10 C ATOM 410 CG LEU A 25 3.449 2.204 -2.583 1.00 43.33 C ATOM 411 CD1 LEU A 25 1.973 2.455 -2.960 1.00 32.40 C ATOM 412 CD2 LEU A 25 4.368 2.252 -3.833 1.00 44.21 C ATOM 0 H LEU A 25 5.970 4.607 -2.015 1.00 23.20 H new ATOM 0 HA LEU A 25 3.151 4.827 -2.656 1.00 53.33 H new ATOM 0 HB2 LEU A 25 4.928 2.941 -1.173 1.00 55.10 H new ATOM 0 HB3 LEU A 25 3.279 3.049 -0.589 1.00 55.10 H new ATOM 0 HG LEU A 25 3.534 1.197 -2.175 1.00 43.33 H new ATOM 0 HD11 LEU A 25 1.672 1.754 -3.738 1.00 32.40 H new ATOM 0 HD12 LEU A 25 1.344 2.314 -2.081 1.00 32.40 H new ATOM 0 HD13 LEU A 25 1.860 3.475 -3.327 1.00 32.40 H new ATOM 0 HD21 LEU A 25 4.006 1.544 -4.578 1.00 44.21 H new ATOM 0 HD22 LEU A 25 4.359 3.258 -4.253 1.00 44.21 H new ATOM 0 HD23 LEU A 25 5.386 1.988 -3.547 1.00 44.21 H new ATOM 424 N ARG A 26 4.399 6.024 0.167 1.00 1.22 N ATOM 425 CA ARG A 26 4.167 6.894 1.337 1.00 32.23 C ATOM 426 C ARG A 26 3.569 8.232 0.890 1.00 41.34 C ATOM 427 O ARG A 26 2.657 8.740 1.527 1.00 15.01 O ATOM 428 CB ARG A 26 5.503 7.087 2.122 1.00 15.24 C ATOM 429 CG ARG A 26 5.384 7.780 3.519 1.00 4.24 C ATOM 430 CD ARG A 26 5.700 9.282 3.494 1.00 45.03 C ATOM 431 NE ARG A 26 7.085 9.533 3.072 1.00 62.44 N ATOM 432 CZ ARG A 26 7.641 10.731 2.885 1.00 34.54 C ATOM 433 NH1 ARG A 26 6.944 11.854 3.065 1.00 62.13 N ATOM 434 NH2 ARG A 26 8.913 10.794 2.501 1.00 55.31 N ATOM 0 H ARG A 26 5.380 5.776 0.038 1.00 1.22 H new ATOM 0 HA ARG A 26 3.449 6.424 2.008 1.00 32.23 H new ATOM 0 HB2 ARG A 26 5.964 6.109 2.262 1.00 15.24 H new ATOM 0 HB3 ARG A 26 6.183 7.674 1.504 1.00 15.24 H new ATOM 0 HG2 ARG A 26 4.373 7.637 3.900 1.00 4.24 H new ATOM 0 HG3 ARG A 26 6.060 7.287 4.217 1.00 4.24 H new ATOM 0 HD2 ARG A 26 5.014 9.788 2.815 1.00 45.03 H new ATOM 0 HD3 ARG A 26 5.538 9.706 4.485 1.00 45.03 H new ATOM 0 HE ARG A 26 7.675 8.717 2.907 1.00 62.44 H new ATOM 0 HH11 ARG A 26 5.966 11.807 3.351 1.00 62.13 H new ATOM 0 HH12 ARG A 26 7.389 12.760 2.916 1.00 62.13 H new ATOM 0 HH21 ARG A 26 9.445 9.936 2.355 1.00 55.31 H new ATOM 0 HH22 ARG A 26 9.357 11.700 2.353 1.00 55.31 H new ATOM 448 N GLN A 27 4.087 8.757 -0.242 1.00 61.34 N ATOM 449 CA GLN A 27 3.582 9.989 -0.879 1.00 74.41 C ATOM 450 C GLN A 27 2.095 9.838 -1.279 1.00 14.51 C ATOM 451 O GLN A 27 1.293 10.754 -1.081 1.00 52.43 O ATOM 452 CB GLN A 27 4.439 10.319 -2.128 1.00 1.14 C ATOM 453 CG GLN A 27 5.951 10.485 -1.850 1.00 10.23 C ATOM 454 CD GLN A 27 6.310 11.716 -1.003 1.00 30.34 C ATOM 455 OE1 GLN A 27 5.650 12.752 -1.070 1.00 4.35 O ATOM 456 NE2 GLN A 27 7.365 11.621 -0.210 1.00 11.53 N ATOM 0 H GLN A 27 4.871 8.335 -0.740 1.00 61.34 H new ATOM 0 HA GLN A 27 3.657 10.806 -0.161 1.00 74.41 H new ATOM 0 HB2 GLN A 27 4.304 9.526 -2.864 1.00 1.14 H new ATOM 0 HB3 GLN A 27 4.063 11.238 -2.577 1.00 1.14 H new ATOM 0 HG2 GLN A 27 6.315 9.592 -1.343 1.00 10.23 H new ATOM 0 HG3 GLN A 27 6.478 10.548 -2.802 1.00 10.23 H new ATOM 0 HE21 GLN A 27 7.897 10.752 -0.171 1.00 11.53 H new ATOM 0 HE22 GLN A 27 7.646 12.417 0.362 1.00 11.53 H new ATOM 465 N LEU A 28 1.755 8.652 -1.824 1.00 14.43 N ATOM 466 CA LEU A 28 0.385 8.314 -2.264 1.00 10.34 C ATOM 467 C LEU A 28 -0.555 8.158 -1.046 1.00 42.45 C ATOM 468 O LEU A 28 -1.725 8.553 -1.098 1.00 72.43 O ATOM 469 CB LEU A 28 0.418 7.012 -3.120 1.00 64.50 C ATOM 470 CG LEU A 28 -0.942 6.517 -3.729 1.00 35.34 C ATOM 471 CD1 LEU A 28 -1.595 7.591 -4.634 1.00 64.34 C ATOM 472 CD2 LEU A 28 -0.746 5.182 -4.491 1.00 13.33 C ATOM 0 H LEU A 28 2.426 7.898 -1.972 1.00 14.43 H new ATOM 0 HA LEU A 28 -0.005 9.125 -2.879 1.00 10.34 H new ATOM 0 HB2 LEU A 28 1.119 7.165 -3.940 1.00 64.50 H new ATOM 0 HB3 LEU A 28 0.822 6.211 -2.501 1.00 64.50 H new ATOM 0 HG LEU A 28 -1.629 6.340 -2.901 1.00 35.34 H new ATOM 0 HD11 LEU A 28 -2.533 7.208 -5.035 1.00 64.34 H new ATOM 0 HD12 LEU A 28 -1.790 8.490 -4.049 1.00 64.34 H new ATOM 0 HD13 LEU A 28 -0.921 7.833 -5.456 1.00 64.34 H new ATOM 0 HD21 LEU A 28 -1.700 4.856 -4.905 1.00 13.33 H new ATOM 0 HD22 LEU A 28 -0.030 5.326 -5.300 1.00 13.33 H new ATOM 0 HD23 LEU A 28 -0.370 4.423 -3.805 1.00 13.33 H new ATOM 484 N PHE A 29 -0.020 7.608 0.060 1.00 74.35 N ATOM 485 CA PHE A 29 -0.789 7.407 1.305 1.00 75.43 C ATOM 486 C PHE A 29 -1.055 8.756 2.009 1.00 54.00 C ATOM 487 O PHE A 29 -2.133 8.946 2.578 1.00 70.12 O ATOM 488 CB PHE A 29 -0.065 6.417 2.258 1.00 54.11 C ATOM 489 CG PHE A 29 0.104 4.993 1.716 1.00 2.43 C ATOM 490 CD1 PHE A 29 -0.902 4.388 0.960 1.00 20.31 C ATOM 491 CD2 PHE A 29 1.270 4.258 1.957 1.00 71.10 C ATOM 492 CE1 PHE A 29 -0.746 3.107 0.465 1.00 54.41 C ATOM 493 CE2 PHE A 29 1.420 2.978 1.460 1.00 25.42 C ATOM 494 CZ PHE A 29 0.414 2.404 0.716 1.00 10.33 C ATOM 0 H PHE A 29 0.948 7.293 0.117 1.00 74.35 H new ATOM 0 HA PHE A 29 -1.750 6.968 1.038 1.00 75.43 H new ATOM 0 HB2 PHE A 29 0.921 6.819 2.492 1.00 54.11 H new ATOM 0 HB3 PHE A 29 -0.620 6.368 3.195 1.00 54.11 H new ATOM 0 HD1 PHE A 29 -1.815 4.929 0.759 1.00 20.31 H new ATOM 0 HD2 PHE A 29 2.065 4.698 2.541 1.00 71.10 H new ATOM 0 HE1 PHE A 29 -1.534 2.655 -0.120 1.00 54.41 H new ATOM 0 HE2 PHE A 29 2.328 2.427 1.655 1.00 25.42 H new ATOM 0 HZ PHE A 29 0.533 1.403 0.329 1.00 10.33 H new ATOM 504 N GLU A 30 -0.062 9.685 1.940 1.00 32.23 N ATOM 505 CA GLU A 30 -0.197 11.075 2.449 1.00 63.41 C ATOM 506 C GLU A 30 -1.250 11.830 1.629 1.00 62.41 C ATOM 507 O GLU A 30 -2.069 12.576 2.183 1.00 72.23 O ATOM 508 CB GLU A 30 1.153 11.845 2.383 1.00 52.24 C ATOM 509 CG GLU A 30 2.255 11.308 3.311 1.00 64.34 C ATOM 510 CD GLU A 30 3.573 12.083 3.160 1.00 12.21 C ATOM 511 OE1 GLU A 30 4.158 12.055 2.055 1.00 61.31 O ATOM 512 OE2 GLU A 30 4.046 12.708 4.143 1.00 53.30 O ATOM 0 H GLU A 30 0.852 9.490 1.531 1.00 32.23 H new ATOM 0 HA GLU A 30 -0.506 11.016 3.493 1.00 63.41 H new ATOM 0 HB2 GLU A 30 1.519 11.819 1.357 1.00 52.24 H new ATOM 0 HB3 GLU A 30 0.970 12.891 2.629 1.00 52.24 H new ATOM 0 HG2 GLU A 30 1.917 11.368 4.346 1.00 64.34 H new ATOM 0 HG3 GLU A 30 2.429 10.254 3.093 1.00 64.34 H new ATOM 519 N GLU A 31 -1.209 11.593 0.303 1.00 54.15 N ATOM 520 CA GLU A 31 -2.130 12.189 -0.672 1.00 65.32 C ATOM 521 C GLU A 31 -3.586 11.911 -0.265 1.00 74.14 C ATOM 522 O GLU A 31 -4.389 12.828 -0.129 1.00 21.32 O ATOM 523 CB GLU A 31 -1.820 11.610 -2.089 1.00 73.41 C ATOM 524 CG GLU A 31 -2.772 12.058 -3.221 1.00 64.31 C ATOM 525 CD GLU A 31 -2.828 13.584 -3.402 1.00 42.13 C ATOM 526 OE1 GLU A 31 -1.781 14.192 -3.711 1.00 73.52 O ATOM 527 OE2 GLU A 31 -3.918 14.179 -3.254 1.00 31.12 O ATOM 0 H GLU A 31 -0.522 10.971 -0.123 1.00 54.15 H new ATOM 0 HA GLU A 31 -1.993 13.270 -0.697 1.00 65.32 H new ATOM 0 HB2 GLU A 31 -0.803 11.892 -2.362 1.00 73.41 H new ATOM 0 HB3 GLU A 31 -1.843 10.522 -2.029 1.00 73.41 H new ATOM 0 HG2 GLU A 31 -2.453 11.600 -4.157 1.00 64.31 H new ATOM 0 HG3 GLU A 31 -3.775 11.687 -3.010 1.00 64.31 H new ATOM 534 N LEU A 32 -3.877 10.630 -0.024 1.00 5.23 N ATOM 535 CA LEU A 32 -5.226 10.153 0.333 1.00 51.24 C ATOM 536 C LEU A 32 -5.557 10.447 1.823 1.00 50.20 C ATOM 537 O LEU A 32 -6.734 10.585 2.198 1.00 50.53 O ATOM 538 CB LEU A 32 -5.283 8.636 0.014 1.00 74.30 C ATOM 539 CG LEU A 32 -4.900 8.259 -1.465 1.00 71.04 C ATOM 540 CD1 LEU A 32 -4.647 6.743 -1.638 1.00 32.33 C ATOM 541 CD2 LEU A 32 -5.958 8.780 -2.467 1.00 22.13 C ATOM 0 H LEU A 32 -3.182 9.885 -0.070 1.00 5.23 H new ATOM 0 HA LEU A 32 -5.982 10.682 -0.248 1.00 51.24 H new ATOM 0 HB2 LEU A 32 -4.612 8.110 0.694 1.00 74.30 H new ATOM 0 HB3 LEU A 32 -6.291 8.274 0.217 1.00 74.30 H new ATOM 0 HG LEU A 32 -3.957 8.758 -1.688 1.00 71.04 H new ATOM 0 HD11 LEU A 32 -4.386 6.534 -2.675 1.00 32.33 H new ATOM 0 HD12 LEU A 32 -3.828 6.434 -0.989 1.00 32.33 H new ATOM 0 HD13 LEU A 32 -5.549 6.191 -1.372 1.00 32.33 H new ATOM 0 HD21 LEU A 32 -5.666 8.504 -3.480 1.00 22.13 H new ATOM 0 HD22 LEU A 32 -6.927 8.338 -2.236 1.00 22.13 H new ATOM 0 HD23 LEU A 32 -6.027 9.865 -2.392 1.00 22.13 H new ATOM 553 N HIS A 33 -4.492 10.592 2.645 1.00 44.35 N ATOM 554 CA HIS A 33 -4.587 10.809 4.112 1.00 41.51 C ATOM 555 C HIS A 33 -5.442 12.043 4.470 1.00 73.34 C ATOM 556 O HIS A 33 -6.225 12.000 5.425 1.00 32.54 O ATOM 557 CB HIS A 33 -3.155 10.964 4.700 1.00 31.31 C ATOM 558 CG HIS A 33 -3.059 11.042 6.193 1.00 25.12 C ATOM 559 ND1 HIS A 33 -2.341 12.011 6.864 1.00 55.33 N ATOM 560 CD2 HIS A 33 -3.536 10.222 7.143 1.00 43.20 C ATOM 561 CE1 HIS A 33 -2.393 11.775 8.158 1.00 1.02 C ATOM 562 NE2 HIS A 33 -3.112 10.695 8.353 1.00 65.55 N ATOM 0 H HIS A 33 -3.530 10.562 2.307 1.00 44.35 H new ATOM 0 HA HIS A 33 -5.083 9.941 4.547 1.00 41.51 H new ATOM 0 HB2 HIS A 33 -2.552 10.121 4.361 1.00 31.31 H new ATOM 0 HB3 HIS A 33 -2.708 11.865 4.280 1.00 31.31 H new ATOM 0 HD1 HIS A 33 -1.847 12.789 6.426 1.00 55.33 H new ATOM 0 HD2 HIS A 33 -4.146 9.346 6.980 1.00 43.20 H new ATOM 0 HE1 HIS A 33 -1.924 12.369 8.928 1.00 1.02 H new ATOM 571 N GLU A 34 -5.311 13.126 3.668 1.00 52.32 N ATOM 572 CA GLU A 34 -5.973 14.424 3.953 1.00 11.45 C ATOM 573 C GLU A 34 -7.511 14.347 3.847 1.00 24.21 C ATOM 574 O GLU A 34 -8.210 15.157 4.468 1.00 1.43 O ATOM 575 CB GLU A 34 -5.381 15.577 3.073 1.00 62.32 C ATOM 576 CG GLU A 34 -5.268 15.315 1.550 1.00 1.20 C ATOM 577 CD GLU A 34 -6.598 15.304 0.766 1.00 30.22 C ATOM 578 OE1 GLU A 34 -7.223 16.377 0.618 1.00 25.34 O ATOM 579 OE2 GLU A 34 -7.000 14.237 0.254 1.00 31.10 O ATOM 0 H GLU A 34 -4.751 13.127 2.815 1.00 52.32 H new ATOM 0 HA GLU A 34 -5.754 14.662 4.994 1.00 11.45 H new ATOM 0 HB2 GLU A 34 -5.997 16.464 3.219 1.00 62.32 H new ATOM 0 HB3 GLU A 34 -4.386 15.814 3.450 1.00 62.32 H new ATOM 0 HG2 GLU A 34 -4.620 16.077 1.117 1.00 1.20 H new ATOM 0 HG3 GLU A 34 -4.774 14.355 1.402 1.00 1.20 H new ATOM 586 N ARG A 35 -8.032 13.371 3.077 1.00 31.33 N ATOM 587 CA ARG A 35 -9.494 13.173 2.929 1.00 11.34 C ATOM 588 C ARG A 35 -9.962 12.001 3.802 1.00 1.21 C ATOM 589 O ARG A 35 -11.142 11.923 4.162 1.00 24.42 O ATOM 590 CB ARG A 35 -9.865 12.954 1.435 1.00 3.44 C ATOM 591 CG ARG A 35 -9.393 11.614 0.815 1.00 42.52 C ATOM 592 CD ARG A 35 -9.059 11.699 -0.684 1.00 63.54 C ATOM 593 NE ARG A 35 -10.168 12.209 -1.507 1.00 32.53 N ATOM 594 CZ ARG A 35 -10.233 13.438 -2.045 1.00 32.40 C ATOM 595 NH1 ARG A 35 -9.255 14.324 -1.856 1.00 34.40 N ATOM 596 NH2 ARG A 35 -11.282 13.766 -2.797 1.00 33.14 N ATOM 0 H ARG A 35 -7.466 12.707 2.548 1.00 31.33 H new ATOM 0 HA ARG A 35 -10.009 14.071 3.269 1.00 11.34 H new ATOM 0 HB2 ARG A 35 -10.949 13.017 1.336 1.00 3.44 H new ATOM 0 HB3 ARG A 35 -9.443 13.772 0.851 1.00 3.44 H new ATOM 0 HG2 ARG A 35 -8.511 11.267 1.354 1.00 42.52 H new ATOM 0 HG3 ARG A 35 -10.171 10.864 0.961 1.00 42.52 H new ATOM 0 HD2 ARG A 35 -8.191 12.345 -0.818 1.00 63.54 H new ATOM 0 HD3 ARG A 35 -8.778 10.709 -1.042 1.00 63.54 H new ATOM 0 HE ARG A 35 -10.950 11.578 -1.683 1.00 32.53 H new ATOM 0 HH11 ARG A 35 -8.441 14.073 -1.295 1.00 34.40 H new ATOM 0 HH12 ARG A 35 -9.321 15.253 -2.272 1.00 34.40 H new ATOM 0 HH21 ARG A 35 -12.025 13.087 -2.959 1.00 33.14 H new ATOM 0 HH22 ARG A 35 -11.342 14.696 -3.211 1.00 33.14 H new ATOM 610 N GLY A 36 -9.015 11.099 4.142 1.00 2.13 N ATOM 611 CA GLY A 36 -9.294 9.948 5.000 1.00 53.15 C ATOM 612 C GLY A 36 -10.163 8.892 4.333 1.00 25.24 C ATOM 613 O GLY A 36 -10.953 8.219 5.006 1.00 72.14 O ATOM 0 H GLY A 36 -8.046 11.156 3.828 1.00 2.13 H new ATOM 0 HA2 GLY A 36 -8.351 9.493 5.303 1.00 53.15 H new ATOM 0 HA3 GLY A 36 -9.788 10.293 5.909 1.00 53.15 H new ATOM 617 N THR A 37 -10.031 8.774 2.995 1.00 30.52 N ATOM 618 CA THR A 37 -10.677 7.701 2.220 1.00 62.44 C ATOM 619 C THR A 37 -9.991 6.367 2.536 1.00 0.30 C ATOM 620 O THR A 37 -8.789 6.344 2.858 1.00 35.44 O ATOM 621 CB THR A 37 -10.618 7.965 0.670 1.00 70.11 C ATOM 622 OG1 THR A 37 -11.325 6.929 -0.046 1.00 12.22 O ATOM 623 CG2 THR A 37 -9.168 8.046 0.146 1.00 1.44 C ATOM 0 H THR A 37 -9.477 9.416 2.428 1.00 30.52 H new ATOM 0 HA THR A 37 -11.728 7.671 2.508 1.00 62.44 H new ATOM 0 HB THR A 37 -11.095 8.929 0.496 1.00 70.11 H new ATOM 0 HG1 THR A 37 -11.281 7.108 -1.008 1.00 12.22 H new ATOM 0 HG21 THR A 37 -9.179 8.229 -0.928 1.00 1.44 H new ATOM 0 HG22 THR A 37 -8.645 8.860 0.648 1.00 1.44 H new ATOM 0 HG23 THR A 37 -8.655 7.106 0.348 1.00 1.44 H new ATOM 631 N GLU A 38 -10.750 5.266 2.451 1.00 71.23 N ATOM 632 CA GLU A 38 -10.216 3.941 2.732 1.00 1.34 C ATOM 633 C GLU A 38 -9.236 3.481 1.627 1.00 4.13 C ATOM 634 O GLU A 38 -9.581 3.427 0.437 1.00 40.23 O ATOM 635 CB GLU A 38 -11.342 2.905 2.983 1.00 34.22 C ATOM 636 CG GLU A 38 -12.368 2.737 1.857 1.00 53.53 C ATOM 637 CD GLU A 38 -13.347 1.601 2.161 1.00 33.32 C ATOM 638 OE1 GLU A 38 -12.971 0.430 1.963 1.00 50.20 O ATOM 639 OE2 GLU A 38 -14.476 1.865 2.625 1.00 2.04 O ATOM 0 H GLU A 38 -11.736 5.275 2.189 1.00 71.23 H new ATOM 0 HA GLU A 38 -9.645 4.010 3.658 1.00 1.34 H new ATOM 0 HB2 GLU A 38 -10.880 1.936 3.174 1.00 34.22 H new ATOM 0 HB3 GLU A 38 -11.873 3.189 3.891 1.00 34.22 H new ATOM 0 HG2 GLU A 38 -12.919 3.668 1.722 1.00 53.53 H new ATOM 0 HG3 GLU A 38 -11.851 2.533 0.919 1.00 53.53 H new ATOM 646 N ILE A 39 -7.993 3.222 2.053 1.00 12.42 N ATOM 647 CA ILE A 39 -6.907 2.747 1.198 1.00 61.42 C ATOM 648 C ILE A 39 -6.787 1.216 1.358 1.00 23.41 C ATOM 649 O ILE A 39 -6.427 0.721 2.433 1.00 71.25 O ATOM 650 CB ILE A 39 -5.541 3.430 1.586 1.00 30.00 C ATOM 651 CG1 ILE A 39 -5.693 4.986 1.696 1.00 54.23 C ATOM 652 CG2 ILE A 39 -4.442 3.050 0.567 1.00 43.20 C ATOM 653 CD1 ILE A 39 -4.464 5.708 2.238 1.00 55.03 C ATOM 0 H ILE A 39 -7.712 3.341 3.026 1.00 12.42 H new ATOM 0 HA ILE A 39 -7.130 3.005 0.163 1.00 61.42 H new ATOM 0 HB ILE A 39 -5.244 3.061 2.568 1.00 30.00 H new ATOM 0 HG12 ILE A 39 -5.927 5.386 0.709 1.00 54.23 H new ATOM 0 HG13 ILE A 39 -6.543 5.210 2.340 1.00 54.23 H new ATOM 0 HG21 ILE A 39 -3.504 3.529 0.848 1.00 43.20 H new ATOM 0 HG22 ILE A 39 -4.309 1.968 0.561 1.00 43.20 H new ATOM 0 HG23 ILE A 39 -4.737 3.385 -0.428 1.00 43.20 H new ATOM 0 HD11 ILE A 39 -4.660 6.779 2.279 1.00 55.03 H new ATOM 0 HD12 ILE A 39 -4.239 5.342 3.240 1.00 55.03 H new ATOM 0 HD13 ILE A 39 -3.613 5.520 1.583 1.00 55.03 H new ATOM 665 N VAL A 40 -7.135 0.479 0.297 1.00 20.41 N ATOM 666 CA VAL A 40 -7.024 -0.983 0.260 1.00 64.12 C ATOM 667 C VAL A 40 -5.754 -1.357 -0.522 1.00 3.22 C ATOM 668 O VAL A 40 -5.724 -1.261 -1.742 1.00 64.41 O ATOM 669 CB VAL A 40 -8.297 -1.629 -0.413 1.00 63.44 C ATOM 670 CG1 VAL A 40 -8.186 -3.174 -0.479 1.00 71.45 C ATOM 671 CG2 VAL A 40 -9.591 -1.174 0.312 1.00 22.52 C ATOM 0 H VAL A 40 -7.503 0.883 -0.564 1.00 20.41 H new ATOM 0 HA VAL A 40 -6.961 -1.368 1.278 1.00 64.12 H new ATOM 0 HB VAL A 40 -8.350 -1.274 -1.442 1.00 63.44 H new ATOM 0 HG11 VAL A 40 -9.081 -3.583 -0.948 1.00 71.45 H new ATOM 0 HG12 VAL A 40 -7.310 -3.451 -1.065 1.00 71.45 H new ATOM 0 HG13 VAL A 40 -8.090 -3.575 0.530 1.00 71.45 H new ATOM 0 HG21 VAL A 40 -10.457 -1.631 -0.168 1.00 22.52 H new ATOM 0 HG22 VAL A 40 -9.550 -1.482 1.357 1.00 22.52 H new ATOM 0 HG23 VAL A 40 -9.676 -0.089 0.257 1.00 22.52 H new ATOM 681 N VAL A 41 -4.699 -1.747 0.199 1.00 74.21 N ATOM 682 CA VAL A 41 -3.434 -2.182 -0.403 1.00 2.30 C ATOM 683 C VAL A 41 -3.451 -3.712 -0.528 1.00 64.55 C ATOM 684 O VAL A 41 -3.406 -4.429 0.474 1.00 11.51 O ATOM 685 CB VAL A 41 -2.216 -1.704 0.464 1.00 21.42 C ATOM 686 CG1 VAL A 41 -0.872 -2.166 -0.141 1.00 73.12 C ATOM 687 CG2 VAL A 41 -2.250 -0.171 0.643 1.00 74.42 C ATOM 0 H VAL A 41 -4.697 -1.770 1.219 1.00 74.21 H new ATOM 0 HA VAL A 41 -3.325 -1.738 -1.392 1.00 2.30 H new ATOM 0 HB VAL A 41 -2.302 -2.166 1.447 1.00 21.42 H new ATOM 0 HG11 VAL A 41 -0.052 -1.817 0.486 1.00 73.12 H new ATOM 0 HG12 VAL A 41 -0.851 -3.255 -0.193 1.00 73.12 H new ATOM 0 HG13 VAL A 41 -0.763 -1.753 -1.144 1.00 73.12 H new ATOM 0 HG21 VAL A 41 -1.399 0.144 1.247 1.00 74.42 H new ATOM 0 HG22 VAL A 41 -2.200 0.311 -0.334 1.00 74.42 H new ATOM 0 HG23 VAL A 41 -3.175 0.117 1.143 1.00 74.42 H new ATOM 697 N GLU A 42 -3.525 -4.198 -1.769 1.00 31.44 N ATOM 698 CA GLU A 42 -3.686 -5.619 -2.070 1.00 71.33 C ATOM 699 C GLU A 42 -2.431 -6.120 -2.803 1.00 65.43 C ATOM 700 O GLU A 42 -2.240 -5.843 -3.996 1.00 75.13 O ATOM 701 CB GLU A 42 -4.946 -5.812 -2.939 1.00 34.15 C ATOM 702 CG GLU A 42 -5.330 -7.285 -3.189 1.00 14.32 C ATOM 703 CD GLU A 42 -6.497 -7.467 -4.166 1.00 33.10 C ATOM 704 OE1 GLU A 42 -6.649 -8.569 -4.717 1.00 33.24 O ATOM 705 OE2 GLU A 42 -7.254 -6.510 -4.417 1.00 2.34 O ATOM 0 H GLU A 42 -3.474 -3.609 -2.600 1.00 31.44 H new ATOM 0 HA GLU A 42 -3.807 -6.193 -1.151 1.00 71.33 H new ATOM 0 HB2 GLU A 42 -5.784 -5.308 -2.459 1.00 34.15 H new ATOM 0 HB3 GLU A 42 -4.788 -5.323 -3.900 1.00 34.15 H new ATOM 0 HG2 GLU A 42 -4.460 -7.816 -3.575 1.00 14.32 H new ATOM 0 HG3 GLU A 42 -5.590 -7.749 -2.237 1.00 14.32 H new ATOM 712 N VAL A 43 -1.585 -6.868 -2.087 1.00 0.33 N ATOM 713 CA VAL A 43 -0.301 -7.349 -2.604 1.00 72.45 C ATOM 714 C VAL A 43 -0.471 -8.766 -3.200 1.00 4.43 C ATOM 715 O VAL A 43 -0.632 -9.747 -2.471 1.00 71.34 O ATOM 716 CB VAL A 43 0.799 -7.359 -1.479 1.00 53.03 C ATOM 717 CG1 VAL A 43 2.164 -7.794 -2.057 1.00 53.21 C ATOM 718 CG2 VAL A 43 0.893 -5.983 -0.767 1.00 20.33 C ATOM 0 H VAL A 43 -1.773 -7.158 -1.127 1.00 0.33 H new ATOM 0 HA VAL A 43 0.029 -6.667 -3.388 1.00 72.45 H new ATOM 0 HB VAL A 43 0.506 -8.090 -0.725 1.00 53.03 H new ATOM 0 HG11 VAL A 43 2.912 -7.795 -1.264 1.00 53.21 H new ATOM 0 HG12 VAL A 43 2.079 -8.797 -2.476 1.00 53.21 H new ATOM 0 HG13 VAL A 43 2.466 -7.098 -2.840 1.00 53.21 H new ATOM 0 HG21 VAL A 43 1.662 -6.024 0.004 1.00 20.33 H new ATOM 0 HG22 VAL A 43 1.150 -5.213 -1.495 1.00 20.33 H new ATOM 0 HG23 VAL A 43 -0.067 -5.744 -0.310 1.00 20.33 H new ATOM 728 N HIS A 44 -0.448 -8.845 -4.535 1.00 4.20 N ATOM 729 CA HIS A 44 -0.521 -10.107 -5.285 1.00 3.14 C ATOM 730 C HIS A 44 0.898 -10.685 -5.424 1.00 10.11 C ATOM 731 O HIS A 44 1.794 -10.027 -5.956 1.00 51.51 O ATOM 732 CB HIS A 44 -1.119 -9.857 -6.692 1.00 2.33 C ATOM 733 CG HIS A 44 -2.566 -9.446 -6.721 1.00 24.11 C ATOM 734 ND1 HIS A 44 -3.556 -10.258 -7.226 1.00 34.35 N ATOM 735 CD2 HIS A 44 -3.181 -8.285 -6.380 1.00 11.45 C ATOM 736 CE1 HIS A 44 -4.705 -9.624 -7.194 1.00 13.22 C ATOM 737 NE2 HIS A 44 -4.509 -8.427 -6.687 1.00 63.32 N ATOM 0 H HIS A 44 -0.377 -8.023 -5.135 1.00 4.20 H new ATOM 0 HA HIS A 44 -1.161 -10.810 -4.752 1.00 3.14 H new ATOM 0 HB2 HIS A 44 -0.530 -9.083 -7.185 1.00 2.33 H new ATOM 0 HB3 HIS A 44 -1.007 -10.767 -7.282 1.00 2.33 H new ATOM 0 HD2 HIS A 44 -2.712 -7.413 -5.948 1.00 11.45 H new ATOM 0 HE1 HIS A 44 -5.653 -10.020 -7.528 1.00 13.22 H new ATOM 0 HE2 HIS A 44 -5.229 -7.719 -6.545 1.00 63.32 H new ATOM 746 N ILE A 45 1.087 -11.909 -4.919 1.00 45.54 N ATOM 747 CA ILE A 45 2.376 -12.617 -4.925 1.00 23.14 C ATOM 748 C ILE A 45 2.141 -14.096 -5.282 1.00 45.12 C ATOM 749 O ILE A 45 1.574 -14.847 -4.476 1.00 63.33 O ATOM 750 CB ILE A 45 3.114 -12.480 -3.532 1.00 10.13 C ATOM 751 CG1 ILE A 45 3.730 -11.053 -3.391 1.00 53.21 C ATOM 752 CG2 ILE A 45 4.182 -13.582 -3.314 1.00 43.11 C ATOM 753 CD1 ILE A 45 4.619 -10.854 -2.189 1.00 24.44 C ATOM 0 H ILE A 45 0.336 -12.447 -4.486 1.00 45.54 H new ATOM 0 HA ILE A 45 3.024 -12.165 -5.676 1.00 23.14 H new ATOM 0 HB ILE A 45 2.369 -12.621 -2.749 1.00 10.13 H new ATOM 0 HG12 ILE A 45 4.306 -10.833 -4.290 1.00 53.21 H new ATOM 0 HG13 ILE A 45 2.918 -10.327 -3.347 1.00 53.21 H new ATOM 0 HG21 ILE A 45 4.658 -13.441 -2.343 1.00 43.11 H new ATOM 0 HG22 ILE A 45 3.705 -14.562 -3.346 1.00 43.11 H new ATOM 0 HG23 ILE A 45 4.935 -13.519 -4.100 1.00 43.11 H new ATOM 0 HD11 ILE A 45 4.997 -9.832 -2.181 1.00 24.44 H new ATOM 0 HD12 ILE A 45 4.047 -11.036 -1.279 1.00 24.44 H new ATOM 0 HD13 ILE A 45 5.456 -11.550 -2.237 1.00 24.44 H new ATOM 765 N ASN A 46 2.521 -14.467 -6.533 1.00 1.50 N ATOM 766 CA ASN A 46 2.554 -15.871 -7.031 1.00 52.30 C ATOM 767 C ASN A 46 1.215 -16.622 -6.808 1.00 22.41 C ATOM 768 O ASN A 46 1.193 -17.849 -6.617 1.00 14.54 O ATOM 769 CB ASN A 46 3.761 -16.623 -6.396 1.00 0.33 C ATOM 770 CG ASN A 46 5.119 -16.082 -6.864 1.00 54.31 C ATOM 771 OD1 ASN A 46 5.602 -15.030 -6.228 1.00 13.35 O flip ATOM 772 ND2 ASN A 46 5.716 -16.592 -7.811 1.00 33.30 N flip ATOM 0 H ASN A 46 2.818 -13.790 -7.236 1.00 1.50 H new ATOM 0 HA ASN A 46 2.689 -15.841 -8.112 1.00 52.30 H new ATOM 0 HB2 ASN A 46 3.700 -16.545 -5.310 1.00 0.33 H new ATOM 0 HB3 ASN A 46 3.693 -17.682 -6.644 1.00 0.33 H new ATOM 0 HD21 ASN A 46 5.321 -17.404 -8.285 1.00 33.30 H new ATOM 0 HD22 ASN A 46 6.606 -16.203 -8.122 1.00 33.30 H new ATOM 779 N GLY A 47 0.100 -15.863 -6.855 1.00 1.51 N ATOM 780 CA GLY A 47 -1.252 -16.425 -6.764 1.00 54.41 C ATOM 781 C GLY A 47 -1.994 -16.017 -5.498 1.00 2.15 C ATOM 782 O GLY A 47 -3.226 -16.129 -5.443 1.00 35.41 O ATOM 0 H GLY A 47 0.118 -14.848 -6.957 1.00 1.51 H new ATOM 0 HA2 GLY A 47 -1.829 -16.107 -7.632 1.00 54.41 H new ATOM 0 HA3 GLY A 47 -1.189 -17.512 -6.804 1.00 54.41 H new ATOM 786 N GLU A 48 -1.245 -15.564 -4.465 1.00 32.35 N ATOM 787 CA GLU A 48 -1.820 -15.110 -3.176 1.00 70.44 C ATOM 788 C GLU A 48 -2.038 -13.586 -3.200 1.00 1.02 C ATOM 789 O GLU A 48 -1.069 -12.824 -3.194 1.00 32.23 O ATOM 790 CB GLU A 48 -0.872 -15.477 -1.989 1.00 50.20 C ATOM 791 CG GLU A 48 -0.502 -16.966 -1.880 1.00 40.23 C ATOM 792 CD GLU A 48 0.335 -17.279 -0.627 1.00 54.22 C ATOM 793 OE1 GLU A 48 -0.241 -17.652 0.413 1.00 42.04 O ATOM 794 OE2 GLU A 48 1.573 -17.139 -0.667 1.00 24.23 O ATOM 0 H GLU A 48 -0.227 -15.503 -4.501 1.00 32.35 H new ATOM 0 HA GLU A 48 -2.777 -15.613 -3.035 1.00 70.44 H new ATOM 0 HB2 GLU A 48 0.046 -14.898 -2.086 1.00 50.20 H new ATOM 0 HB3 GLU A 48 -1.347 -15.168 -1.058 1.00 50.20 H new ATOM 0 HG2 GLU A 48 -1.414 -17.563 -1.861 1.00 40.23 H new ATOM 0 HG3 GLU A 48 0.055 -17.264 -2.768 1.00 40.23 H new ATOM 801 N ARG A 49 -3.306 -13.145 -3.239 1.00 51.04 N ATOM 802 CA ARG A 49 -3.653 -11.715 -3.130 1.00 21.04 C ATOM 803 C ARG A 49 -3.857 -11.373 -1.641 1.00 63.10 C ATOM 804 O ARG A 49 -4.656 -12.023 -0.954 1.00 61.51 O ATOM 805 CB ARG A 49 -4.916 -11.387 -3.988 1.00 24.14 C ATOM 806 CG ARG A 49 -6.223 -12.099 -3.572 1.00 4.44 C ATOM 807 CD ARG A 49 -7.392 -11.796 -4.522 1.00 22.10 C ATOM 808 NE ARG A 49 -8.641 -12.459 -4.099 1.00 40.13 N ATOM 809 CZ ARG A 49 -9.862 -12.186 -4.591 1.00 11.32 C ATOM 810 NH1 ARG A 49 -10.025 -11.260 -5.532 1.00 23.25 N ATOM 811 NH2 ARG A 49 -10.918 -12.856 -4.152 1.00 73.32 N ATOM 0 H ARG A 49 -4.113 -13.760 -3.346 1.00 51.04 H new ATOM 0 HA ARG A 49 -2.844 -11.099 -3.523 1.00 21.04 H new ATOM 0 HB2 ARG A 49 -5.085 -10.311 -3.952 1.00 24.14 H new ATOM 0 HB3 ARG A 49 -4.702 -11.642 -5.026 1.00 24.14 H new ATOM 0 HG2 ARG A 49 -6.053 -13.175 -3.544 1.00 4.44 H new ATOM 0 HG3 ARG A 49 -6.493 -11.793 -2.561 1.00 4.44 H new ATOM 0 HD2 ARG A 49 -7.552 -10.719 -4.567 1.00 22.10 H new ATOM 0 HD3 ARG A 49 -7.133 -12.122 -5.529 1.00 22.10 H new ATOM 0 HE ARG A 49 -8.573 -13.178 -3.379 1.00 40.13 H new ATOM 0 HH11 ARG A 49 -9.218 -10.748 -5.889 1.00 23.25 H new ATOM 0 HH12 ARG A 49 -10.957 -11.062 -5.897 1.00 23.25 H new ATOM 0 HH21 ARG A 49 -10.804 -13.578 -3.441 1.00 73.32 H new ATOM 0 HH22 ARG A 49 -11.844 -12.649 -4.525 1.00 73.32 H new ATOM 825 N ASP A 50 -3.095 -10.395 -1.122 1.00 62.10 N ATOM 826 CA ASP A 50 -3.137 -10.038 0.307 1.00 70.14 C ATOM 827 C ASP A 50 -3.826 -8.683 0.450 1.00 42.24 C ATOM 828 O ASP A 50 -3.231 -7.662 0.140 1.00 62.24 O ATOM 829 CB ASP A 50 -1.696 -9.961 0.883 1.00 42.45 C ATOM 830 CG ASP A 50 -1.687 -10.034 2.417 1.00 44.04 C ATOM 831 OD1 ASP A 50 -1.779 -8.984 3.087 1.00 70.11 O ATOM 832 OD2 ASP A 50 -1.603 -11.154 2.965 1.00 31.22 O ATOM 0 H ASP A 50 -2.442 -9.837 -1.671 1.00 62.10 H new ATOM 0 HA ASP A 50 -3.689 -10.798 0.860 1.00 70.14 H new ATOM 0 HB2 ASP A 50 -1.099 -10.778 0.477 1.00 42.45 H new ATOM 0 HB3 ASP A 50 -1.226 -9.032 0.561 1.00 42.45 H new ATOM 837 N GLU A 51 -5.043 -8.675 0.991 1.00 50.32 N ATOM 838 CA GLU A 51 -5.910 -7.487 0.998 1.00 30.25 C ATOM 839 C GLU A 51 -5.845 -6.801 2.374 1.00 0.12 C ATOM 840 O GLU A 51 -6.295 -7.364 3.381 1.00 33.35 O ATOM 841 CB GLU A 51 -7.352 -7.910 0.641 1.00 33.22 C ATOM 842 CG GLU A 51 -8.354 -6.749 0.523 1.00 32.33 C ATOM 843 CD GLU A 51 -9.770 -7.227 0.183 1.00 60.33 C ATOM 844 OE1 GLU A 51 -10.150 -7.230 -1.010 1.00 3.25 O ATOM 845 OE2 GLU A 51 -10.512 -7.613 1.110 1.00 21.15 O ATOM 0 H GLU A 51 -5.461 -9.491 1.439 1.00 50.32 H new ATOM 0 HA GLU A 51 -5.569 -6.768 0.253 1.00 30.25 H new ATOM 0 HB2 GLU A 51 -7.333 -8.453 -0.304 1.00 33.22 H new ATOM 0 HB3 GLU A 51 -7.710 -8.605 1.400 1.00 33.22 H new ATOM 0 HG2 GLU A 51 -8.377 -6.196 1.462 1.00 32.33 H new ATOM 0 HG3 GLU A 51 -8.013 -6.056 -0.247 1.00 32.33 H new ATOM 852 N ILE A 52 -5.252 -5.599 2.406 1.00 53.01 N ATOM 853 CA ILE A 52 -5.050 -4.802 3.631 1.00 64.44 C ATOM 854 C ILE A 52 -5.906 -3.519 3.522 1.00 15.41 C ATOM 855 O ILE A 52 -5.575 -2.619 2.751 1.00 10.14 O ATOM 856 CB ILE A 52 -3.517 -4.430 3.789 1.00 55.21 C ATOM 857 CG1 ILE A 52 -2.632 -5.719 3.731 1.00 70.43 C ATOM 858 CG2 ILE A 52 -3.256 -3.626 5.087 1.00 0.42 C ATOM 859 CD1 ILE A 52 -1.132 -5.477 3.728 1.00 74.20 C ATOM 0 H ILE A 52 -4.892 -5.143 1.568 1.00 53.01 H new ATOM 0 HA ILE A 52 -5.352 -5.375 4.507 1.00 64.44 H new ATOM 0 HB ILE A 52 -3.240 -3.787 2.953 1.00 55.21 H new ATOM 0 HG12 ILE A 52 -2.880 -6.349 4.585 1.00 70.43 H new ATOM 0 HG13 ILE A 52 -2.895 -6.280 2.834 1.00 70.43 H new ATOM 0 HG21 ILE A 52 -2.195 -3.389 5.161 1.00 0.42 H new ATOM 0 HG22 ILE A 52 -3.833 -2.702 5.065 1.00 0.42 H new ATOM 0 HG23 ILE A 52 -3.556 -4.221 5.950 1.00 0.42 H new ATOM 0 HD11 ILE A 52 -0.609 -6.433 3.686 1.00 74.20 H new ATOM 0 HD12 ILE A 52 -0.862 -4.877 2.859 1.00 74.20 H new ATOM 0 HD13 ILE A 52 -0.847 -4.947 4.637 1.00 74.20 H new ATOM 871 N ARG A 53 -7.011 -3.447 4.286 1.00 3.44 N ATOM 872 CA ARG A 53 -7.975 -2.331 4.211 1.00 2.22 C ATOM 873 C ARG A 53 -7.844 -1.449 5.461 1.00 55.33 C ATOM 874 O ARG A 53 -8.030 -1.927 6.588 1.00 55.33 O ATOM 875 CB ARG A 53 -9.433 -2.860 4.104 1.00 15.24 C ATOM 876 CG ARG A 53 -9.679 -3.905 2.998 1.00 5.45 C ATOM 877 CD ARG A 53 -11.165 -4.292 2.882 1.00 20.10 C ATOM 878 NE ARG A 53 -12.003 -3.177 2.390 1.00 10.42 N ATOM 879 CZ ARG A 53 -13.336 -3.227 2.204 1.00 3.00 C ATOM 880 NH1 ARG A 53 -14.030 -4.320 2.483 1.00 31.40 N ATOM 881 NH2 ARG A 53 -13.971 -2.177 1.710 1.00 21.41 N ATOM 0 H ARG A 53 -7.262 -4.159 4.972 1.00 3.44 H new ATOM 0 HA ARG A 53 -7.751 -1.746 3.319 1.00 2.22 H new ATOM 0 HB2 ARG A 53 -9.714 -3.297 5.062 1.00 15.24 H new ATOM 0 HB3 ARG A 53 -10.097 -2.013 3.934 1.00 15.24 H new ATOM 0 HG2 ARG A 53 -9.333 -3.509 2.043 1.00 5.45 H new ATOM 0 HG3 ARG A 53 -9.088 -4.797 3.206 1.00 5.45 H new ATOM 0 HD2 ARG A 53 -11.264 -5.142 2.207 1.00 20.10 H new ATOM 0 HD3 ARG A 53 -11.531 -4.614 3.857 1.00 20.10 H new ATOM 0 HE ARG A 53 -11.533 -2.298 2.174 1.00 10.42 H new ATOM 0 HH11 ARG A 53 -13.555 -5.146 2.847 1.00 31.40 H new ATOM 0 HH12 ARG A 53 -15.039 -4.335 2.334 1.00 31.40 H new ATOM 0 HH21 ARG A 53 -13.451 -1.333 1.471 1.00 21.41 H new ATOM 0 HH22 ARG A 53 -14.980 -2.212 1.568 1.00 21.41 H new ATOM 895 N VAL A 54 -7.494 -0.182 5.257 1.00 12.54 N ATOM 896 CA VAL A 54 -7.513 0.858 6.304 1.00 33.04 C ATOM 897 C VAL A 54 -8.438 1.979 5.831 1.00 21.32 C ATOM 898 O VAL A 54 -8.514 2.228 4.628 1.00 11.22 O ATOM 899 CB VAL A 54 -6.074 1.427 6.585 1.00 22.42 C ATOM 900 CG1 VAL A 54 -5.162 0.350 7.218 1.00 5.31 C ATOM 901 CG2 VAL A 54 -5.441 2.025 5.299 1.00 72.33 C ATOM 0 H VAL A 54 -7.183 0.165 4.350 1.00 12.54 H new ATOM 0 HA VAL A 54 -7.871 0.424 7.237 1.00 33.04 H new ATOM 0 HB VAL A 54 -6.173 2.239 7.306 1.00 22.42 H new ATOM 0 HG11 VAL A 54 -4.174 0.772 7.401 1.00 5.31 H new ATOM 0 HG12 VAL A 54 -5.594 0.016 8.161 1.00 5.31 H new ATOM 0 HG13 VAL A 54 -5.074 -0.498 6.538 1.00 5.31 H new ATOM 0 HG21 VAL A 54 -4.447 2.410 5.528 1.00 72.33 H new ATOM 0 HG22 VAL A 54 -5.364 1.249 4.537 1.00 72.33 H new ATOM 0 HG23 VAL A 54 -6.068 2.836 4.928 1.00 72.33 H new ATOM 911 N ARG A 55 -9.162 2.624 6.756 1.00 32.53 N ATOM 912 CA ARG A 55 -10.051 3.749 6.413 1.00 30.34 C ATOM 913 C ARG A 55 -9.402 5.058 6.834 1.00 1.32 C ATOM 914 O ARG A 55 -9.031 5.891 5.999 1.00 22.41 O ATOM 915 CB ARG A 55 -11.447 3.607 7.072 1.00 75.53 C ATOM 916 CG ARG A 55 -12.112 2.225 6.872 1.00 5.40 C ATOM 917 CD ARG A 55 -13.656 2.283 6.831 1.00 11.41 C ATOM 918 NE ARG A 55 -14.149 2.818 5.538 1.00 3.12 N ATOM 919 CZ ARG A 55 -14.482 4.093 5.295 1.00 13.03 C ATOM 920 NH1 ARG A 55 -14.385 5.017 6.247 1.00 4.23 N ATOM 921 NH2 ARG A 55 -14.879 4.443 4.075 1.00 2.22 N ATOM 0 H ARG A 55 -9.151 2.388 7.748 1.00 32.53 H new ATOM 0 HA ARG A 55 -10.200 3.742 5.333 1.00 30.34 H new ATOM 0 HB2 ARG A 55 -11.352 3.799 8.141 1.00 75.53 H new ATOM 0 HB3 ARG A 55 -12.106 4.375 6.667 1.00 75.53 H new ATOM 0 HG2 ARG A 55 -11.748 1.787 5.943 1.00 5.40 H new ATOM 0 HG3 ARG A 55 -11.803 1.562 7.680 1.00 5.40 H new ATOM 0 HD2 ARG A 55 -14.062 1.284 6.991 1.00 11.41 H new ATOM 0 HD3 ARG A 55 -14.019 2.909 7.646 1.00 11.41 H new ATOM 0 HE ARG A 55 -14.243 2.157 4.766 1.00 3.12 H new ATOM 0 HH11 ARG A 55 -14.054 4.759 7.176 1.00 4.23 H new ATOM 0 HH12 ARG A 55 -14.642 5.984 6.048 1.00 4.23 H new ATOM 0 HH21 ARG A 55 -14.928 3.743 3.334 1.00 2.22 H new ATOM 0 HH22 ARG A 55 -15.135 5.411 3.880 1.00 2.22 H new ATOM 935 N ASN A 56 -9.249 5.208 8.151 1.00 43.20 N ATOM 936 CA ASN A 56 -8.690 6.407 8.750 1.00 4.13 C ATOM 937 C ASN A 56 -7.477 5.986 9.578 1.00 64.15 C ATOM 938 O ASN A 56 -7.609 5.291 10.592 1.00 44.11 O ATOM 939 CB ASN A 56 -9.767 7.146 9.607 1.00 13.53 C ATOM 940 CG ASN A 56 -9.655 8.660 9.460 1.00 43.54 C ATOM 941 OD1 ASN A 56 -9.014 9.345 10.266 1.00 15.01 O ATOM 942 ND2 ASN A 56 -10.239 9.178 8.386 1.00 12.50 N ATOM 0 H ASN A 56 -9.513 4.494 8.830 1.00 43.20 H new ATOM 0 HA ASN A 56 -8.374 7.116 7.985 1.00 4.13 H new ATOM 0 HB2 ASN A 56 -10.762 6.822 9.301 1.00 13.53 H new ATOM 0 HB3 ASN A 56 -9.651 6.871 10.655 1.00 13.53 H new ATOM 0 HD21 ASN A 56 -10.168 10.178 8.200 1.00 12.50 H new ATOM 0 HD22 ASN A 56 -10.758 8.576 7.747 1.00 12.50 H new ATOM 949 N ILE A 57 -6.305 6.364 9.090 1.00 63.41 N ATOM 950 CA ILE A 57 -5.010 6.003 9.672 1.00 72.21 C ATOM 951 C ILE A 57 -4.167 7.265 9.871 1.00 51.22 C ATOM 952 O ILE A 57 -4.353 8.246 9.168 1.00 33.21 O ATOM 953 CB ILE A 57 -4.254 4.919 8.779 1.00 42.22 C ATOM 954 CG1 ILE A 57 -4.581 5.036 7.236 1.00 43.03 C ATOM 955 CG2 ILE A 57 -4.566 3.495 9.290 1.00 50.42 C ATOM 956 CD1 ILE A 57 -4.050 6.271 6.529 1.00 1.52 C ATOM 0 H ILE A 57 -6.220 6.946 8.256 1.00 63.41 H new ATOM 0 HA ILE A 57 -5.176 5.542 10.646 1.00 72.21 H new ATOM 0 HB ILE A 57 -3.188 5.122 8.882 1.00 42.22 H new ATOM 0 HG12 ILE A 57 -4.181 4.155 6.733 1.00 43.03 H new ATOM 0 HG13 ILE A 57 -5.664 5.010 7.112 1.00 43.03 H new ATOM 0 HG21 ILE A 57 -4.044 2.764 8.672 1.00 50.42 H new ATOM 0 HG22 ILE A 57 -4.235 3.399 10.324 1.00 50.42 H new ATOM 0 HG23 ILE A 57 -5.640 3.316 9.235 1.00 50.42 H new ATOM 0 HD11 ILE A 57 -4.337 6.240 5.478 1.00 1.52 H new ATOM 0 HD12 ILE A 57 -4.469 7.164 6.993 1.00 1.52 H new ATOM 0 HD13 ILE A 57 -2.963 6.296 6.608 1.00 1.52 H new ATOM 968 N SER A 58 -3.266 7.231 10.855 1.00 5.23 N ATOM 969 CA SER A 58 -2.342 8.339 11.139 1.00 53.33 C ATOM 970 C SER A 58 -1.172 8.354 10.121 1.00 54.24 C ATOM 971 O SER A 58 -1.150 7.557 9.172 1.00 44.23 O ATOM 972 CB SER A 58 -1.825 8.178 12.579 1.00 70.21 C ATOM 973 OG SER A 58 -2.896 8.111 13.502 1.00 4.42 O ATOM 0 H SER A 58 -3.154 6.434 11.481 1.00 5.23 H new ATOM 0 HA SER A 58 -2.861 9.292 11.042 1.00 53.33 H new ATOM 0 HB2 SER A 58 -1.221 7.274 12.652 1.00 70.21 H new ATOM 0 HB3 SER A 58 -1.176 9.016 12.831 1.00 70.21 H new ATOM 0 HG SER A 58 -2.540 8.007 14.409 1.00 4.42 H new ATOM 979 N LYS A 59 -0.212 9.279 10.327 1.00 54.54 N ATOM 980 CA LYS A 59 1.040 9.335 9.537 1.00 64.12 C ATOM 981 C LYS A 59 1.903 8.079 9.825 1.00 54.43 C ATOM 982 O LYS A 59 2.449 7.459 8.910 1.00 45.35 O ATOM 983 CB LYS A 59 1.830 10.640 9.863 1.00 34.23 C ATOM 984 CG LYS A 59 2.116 10.841 11.366 1.00 53.50 C ATOM 985 CD LYS A 59 2.991 12.071 11.675 1.00 52.41 C ATOM 986 CE LYS A 59 3.248 12.235 13.184 1.00 1.24 C ATOM 987 NZ LYS A 59 4.186 13.352 13.476 1.00 15.51 N ATOM 0 H LYS A 59 -0.280 10.005 11.040 1.00 54.54 H new ATOM 0 HA LYS A 59 0.791 9.348 8.476 1.00 64.12 H new ATOM 0 HB2 LYS A 59 2.776 10.624 9.322 1.00 34.23 H new ATOM 0 HB3 LYS A 59 1.266 11.496 9.493 1.00 34.23 H new ATOM 0 HG2 LYS A 59 1.169 10.939 11.896 1.00 53.50 H new ATOM 0 HG3 LYS A 59 2.609 9.950 11.755 1.00 53.50 H new ATOM 0 HD2 LYS A 59 3.944 11.978 11.154 1.00 52.41 H new ATOM 0 HD3 LYS A 59 2.504 12.967 11.291 1.00 52.41 H new ATOM 0 HE2 LYS A 59 2.302 12.414 13.695 1.00 1.24 H new ATOM 0 HE3 LYS A 59 3.655 11.307 13.585 1.00 1.24 H new ATOM 0 HZ1 LYS A 59 4.330 13.425 14.503 1.00 15.51 H new ATOM 0 HZ2 LYS A 59 5.098 13.170 13.011 1.00 15.51 H new ATOM 0 HZ3 LYS A 59 3.787 14.243 13.118 1.00 15.51 H new ATOM 1001 N GLU A 60 1.970 7.705 11.121 1.00 40.13 N ATOM 1002 CA GLU A 60 2.696 6.512 11.602 1.00 53.45 C ATOM 1003 C GLU A 60 1.998 5.221 11.118 1.00 11.12 C ATOM 1004 O GLU A 60 2.635 4.172 10.957 1.00 5.30 O ATOM 1005 CB GLU A 60 2.771 6.550 13.159 1.00 73.24 C ATOM 1006 CG GLU A 60 1.389 6.617 13.854 1.00 62.41 C ATOM 1007 CD GLU A 60 1.458 6.645 15.389 1.00 30.04 C ATOM 1008 OE1 GLU A 60 1.562 7.747 15.976 1.00 73.25 O ATOM 1009 OE2 GLU A 60 1.390 5.568 16.023 1.00 24.32 O ATOM 0 H GLU A 60 1.517 8.229 11.869 1.00 40.13 H new ATOM 0 HA GLU A 60 3.707 6.516 11.196 1.00 53.45 H new ATOM 0 HB2 GLU A 60 3.300 5.663 13.509 1.00 73.24 H new ATOM 0 HB3 GLU A 60 3.362 7.414 13.463 1.00 73.24 H new ATOM 0 HG2 GLU A 60 0.864 7.507 13.509 1.00 62.41 H new ATOM 0 HG3 GLU A 60 0.796 5.757 13.543 1.00 62.41 H new ATOM 1016 N GLU A 61 0.674 5.319 10.895 1.00 64.41 N ATOM 1017 CA GLU A 61 -0.160 4.182 10.491 1.00 10.52 C ATOM 1018 C GLU A 61 -0.239 4.019 8.966 1.00 74.40 C ATOM 1019 O GLU A 61 -0.405 2.893 8.494 1.00 4.54 O ATOM 1020 CB GLU A 61 -1.556 4.304 11.121 1.00 11.43 C ATOM 1021 CG GLU A 61 -1.576 4.139 12.651 1.00 45.51 C ATOM 1022 CD GLU A 61 -1.103 2.742 13.106 1.00 2.15 C ATOM 1023 OE1 GLU A 61 -1.907 1.790 13.057 1.00 72.23 O ATOM 1024 OE2 GLU A 61 0.070 2.590 13.508 1.00 15.40 O ATOM 0 H GLU A 61 0.156 6.192 10.991 1.00 64.41 H new ATOM 0 HA GLU A 61 0.315 3.274 10.864 1.00 10.52 H new ATOM 0 HB2 GLU A 61 -1.973 5.279 10.867 1.00 11.43 H new ATOM 0 HB3 GLU A 61 -2.209 3.552 10.677 1.00 11.43 H new ATOM 0 HG2 GLU A 61 -0.938 4.899 13.103 1.00 45.51 H new ATOM 0 HG3 GLU A 61 -2.588 4.313 13.018 1.00 45.51 H new ATOM 1031 N LEU A 62 -0.094 5.116 8.180 1.00 14.20 N ATOM 1032 CA LEU A 62 -0.042 4.991 6.705 1.00 10.15 C ATOM 1033 C LEU A 62 1.285 4.320 6.318 1.00 54.15 C ATOM 1034 O LEU A 62 1.354 3.545 5.350 1.00 24.13 O ATOM 1035 CB LEU A 62 -0.286 6.353 5.973 1.00 14.15 C ATOM 1036 CG LEU A 62 0.794 7.504 6.077 1.00 43.14 C ATOM 1037 CD1 LEU A 62 2.011 7.285 5.137 1.00 50.12 C ATOM 1038 CD2 LEU A 62 0.155 8.882 5.808 1.00 12.22 C ATOM 0 H LEU A 62 -0.013 6.070 8.532 1.00 14.20 H new ATOM 0 HA LEU A 62 -0.863 4.359 6.368 1.00 10.15 H new ATOM 0 HB2 LEU A 62 -0.426 6.133 4.915 1.00 14.15 H new ATOM 0 HB3 LEU A 62 -1.229 6.757 6.342 1.00 14.15 H new ATOM 0 HG LEU A 62 1.173 7.474 7.099 1.00 43.14 H new ATOM 0 HD11 LEU A 62 2.715 8.108 5.256 1.00 50.12 H new ATOM 0 HD12 LEU A 62 2.504 6.347 5.392 1.00 50.12 H new ATOM 0 HD13 LEU A 62 1.669 7.246 4.103 1.00 50.12 H new ATOM 0 HD21 LEU A 62 0.917 9.658 5.885 1.00 12.22 H new ATOM 0 HD22 LEU A 62 -0.275 8.894 4.807 1.00 12.22 H new ATOM 0 HD23 LEU A 62 -0.629 9.069 6.542 1.00 12.22 H new ATOM 1050 N LYS A 63 2.318 4.605 7.147 1.00 72.20 N ATOM 1051 CA LYS A 63 3.607 3.912 7.120 1.00 1.11 C ATOM 1052 C LYS A 63 3.421 2.390 7.206 1.00 53.03 C ATOM 1053 O LYS A 63 4.103 1.658 6.502 1.00 1.51 O ATOM 1054 CB LYS A 63 4.526 4.408 8.278 1.00 33.23 C ATOM 1055 CG LYS A 63 5.268 5.732 7.988 1.00 31.22 C ATOM 1056 CD LYS A 63 6.365 5.579 6.900 1.00 75.24 C ATOM 1057 CE LYS A 63 7.431 4.525 7.280 1.00 64.24 C ATOM 1058 NZ LYS A 63 8.498 4.404 6.251 1.00 34.35 N ATOM 0 H LYS A 63 2.268 5.334 7.859 1.00 72.20 H new ATOM 0 HA LYS A 63 4.087 4.144 6.169 1.00 1.11 H new ATOM 0 HB2 LYS A 63 3.921 4.535 9.176 1.00 33.23 H new ATOM 0 HB3 LYS A 63 5.262 3.635 8.497 1.00 33.23 H new ATOM 0 HG2 LYS A 63 4.548 6.485 7.668 1.00 31.22 H new ATOM 0 HG3 LYS A 63 5.724 6.097 8.908 1.00 31.22 H new ATOM 0 HD2 LYS A 63 5.899 5.296 5.956 1.00 75.24 H new ATOM 0 HD3 LYS A 63 6.851 6.542 6.740 1.00 75.24 H new ATOM 0 HE2 LYS A 63 7.880 4.794 8.236 1.00 64.24 H new ATOM 0 HE3 LYS A 63 6.949 3.557 7.416 1.00 64.24 H new ATOM 0 HZ1 LYS A 63 8.786 3.408 6.165 1.00 34.35 H new ATOM 0 HZ2 LYS A 63 8.137 4.740 5.335 1.00 34.35 H new ATOM 0 HZ3 LYS A 63 9.318 4.979 6.532 1.00 34.35 H new ATOM 1072 N LYS A 64 2.448 1.935 8.038 1.00 11.11 N ATOM 1073 CA LYS A 64 2.199 0.497 8.268 1.00 42.21 C ATOM 1074 C LYS A 64 1.857 -0.213 6.957 1.00 3.42 C ATOM 1075 O LYS A 64 2.253 -1.352 6.776 1.00 31.40 O ATOM 1076 CB LYS A 64 1.063 0.273 9.307 1.00 51.13 C ATOM 1077 CG LYS A 64 1.421 0.734 10.730 1.00 13.40 C ATOM 1078 CD LYS A 64 2.610 -0.061 11.320 1.00 35.51 C ATOM 1079 CE LYS A 64 2.994 0.409 12.727 1.00 33.44 C ATOM 1080 NZ LYS A 64 1.867 0.286 13.692 1.00 24.42 N ATOM 0 H LYS A 64 1.824 2.550 8.560 1.00 11.11 H new ATOM 0 HA LYS A 64 3.117 0.070 8.671 1.00 42.21 H new ATOM 0 HB2 LYS A 64 0.171 0.806 8.976 1.00 51.13 H new ATOM 0 HB3 LYS A 64 0.810 -0.787 9.332 1.00 51.13 H new ATOM 0 HG2 LYS A 64 1.668 1.796 10.715 1.00 13.40 H new ATOM 0 HG3 LYS A 64 0.552 0.618 11.377 1.00 13.40 H new ATOM 0 HD2 LYS A 64 2.354 -1.120 11.352 1.00 35.51 H new ATOM 0 HD3 LYS A 64 3.472 0.038 10.660 1.00 35.51 H new ATOM 0 HE2 LYS A 64 3.841 -0.177 13.085 1.00 33.44 H new ATOM 0 HE3 LYS A 64 3.321 1.448 12.684 1.00 33.44 H new ATOM 0 HZ1 LYS A 64 2.243 0.232 14.660 1.00 24.42 H new ATOM 0 HZ2 LYS A 64 1.246 1.116 13.608 1.00 24.42 H new ATOM 0 HZ3 LYS A 64 1.324 -0.576 13.483 1.00 24.42 H new ATOM 1094 N LEU A 65 1.171 0.500 6.034 1.00 64.11 N ATOM 1095 CA LEU A 65 0.725 -0.081 4.744 1.00 53.54 C ATOM 1096 C LEU A 65 1.933 -0.539 3.910 1.00 75.50 C ATOM 1097 O LEU A 65 1.978 -1.680 3.445 1.00 70.21 O ATOM 1098 CB LEU A 65 -0.155 0.939 3.943 1.00 34.40 C ATOM 1099 CG LEU A 65 -1.637 1.132 4.415 1.00 71.41 C ATOM 1100 CD1 LEU A 65 -2.421 -0.197 4.381 1.00 33.23 C ATOM 1101 CD2 LEU A 65 -1.708 1.801 5.800 1.00 73.02 C ATOM 0 H LEU A 65 0.914 1.479 6.158 1.00 64.11 H new ATOM 0 HA LEU A 65 0.110 -0.954 4.960 1.00 53.54 H new ATOM 0 HB2 LEU A 65 0.339 1.910 3.976 1.00 34.40 H new ATOM 0 HB3 LEU A 65 -0.171 0.625 2.899 1.00 34.40 H new ATOM 0 HG LEU A 65 -2.118 1.807 3.707 1.00 71.41 H new ATOM 0 HD11 LEU A 65 -3.444 -0.024 4.715 1.00 33.23 H new ATOM 0 HD12 LEU A 65 -2.432 -0.587 3.363 1.00 33.23 H new ATOM 0 HD13 LEU A 65 -1.941 -0.920 5.041 1.00 33.23 H new ATOM 0 HD21 LEU A 65 -2.751 1.919 6.094 1.00 73.02 H new ATOM 0 HD22 LEU A 65 -1.192 1.179 6.531 1.00 73.02 H new ATOM 0 HD23 LEU A 65 -1.231 2.780 5.756 1.00 73.02 H new ATOM 1113 N LEU A 66 2.931 0.351 3.786 1.00 41.12 N ATOM 1114 CA LEU A 66 4.145 0.097 2.988 1.00 64.24 C ATOM 1115 C LEU A 66 5.163 -0.760 3.752 1.00 53.03 C ATOM 1116 O LEU A 66 6.035 -1.373 3.134 1.00 32.32 O ATOM 1117 CB LEU A 66 4.758 1.444 2.520 1.00 45.20 C ATOM 1118 CG LEU A 66 5.134 2.473 3.657 1.00 41.11 C ATOM 1119 CD1 LEU A 66 6.606 2.364 4.113 1.00 25.42 C ATOM 1120 CD2 LEU A 66 4.780 3.908 3.269 1.00 10.24 C ATOM 0 H LEU A 66 2.921 1.267 4.235 1.00 41.12 H new ATOM 0 HA LEU A 66 3.864 -0.479 2.106 1.00 64.24 H new ATOM 0 HB2 LEU A 66 5.657 1.229 1.942 1.00 45.20 H new ATOM 0 HB3 LEU A 66 4.052 1.925 1.843 1.00 45.20 H new ATOM 0 HG LEU A 66 4.522 2.199 4.516 1.00 41.11 H new ATOM 0 HD11 LEU A 66 6.800 3.098 4.895 1.00 25.42 H new ATOM 0 HD12 LEU A 66 6.794 1.363 4.500 1.00 25.42 H new ATOM 0 HD13 LEU A 66 7.264 2.555 3.266 1.00 25.42 H new ATOM 0 HD21 LEU A 66 5.056 4.583 4.080 1.00 10.24 H new ATOM 0 HD22 LEU A 66 5.323 4.185 2.366 1.00 10.24 H new ATOM 0 HD23 LEU A 66 3.708 3.981 3.085 1.00 10.24 H new ATOM 1132 N GLU A 67 5.050 -0.797 5.096 1.00 1.14 N ATOM 1133 CA GLU A 67 5.874 -1.695 5.926 1.00 72.10 C ATOM 1134 C GLU A 67 5.356 -3.135 5.808 1.00 71.34 C ATOM 1135 O GLU A 67 6.138 -4.088 5.874 1.00 3.23 O ATOM 1136 CB GLU A 67 5.911 -1.228 7.411 1.00 60.45 C ATOM 1137 CG GLU A 67 6.520 0.178 7.633 1.00 43.34 C ATOM 1138 CD GLU A 67 8.022 0.302 7.276 1.00 31.24 C ATOM 1139 OE1 GLU A 67 8.845 0.513 8.193 1.00 43.24 O ATOM 1140 OE2 GLU A 67 8.388 0.222 6.084 1.00 21.12 O ATOM 0 H GLU A 67 4.399 -0.218 5.626 1.00 1.14 H new ATOM 0 HA GLU A 67 6.899 -1.661 5.557 1.00 72.10 H new ATOM 0 HB2 GLU A 67 4.895 -1.235 7.805 1.00 60.45 H new ATOM 0 HB3 GLU A 67 6.483 -1.952 7.991 1.00 60.45 H new ATOM 0 HG2 GLU A 67 5.959 0.899 7.038 1.00 43.34 H new ATOM 0 HG3 GLU A 67 6.386 0.455 8.679 1.00 43.34 H new ATOM 1147 N ARG A 68 4.029 -3.279 5.617 1.00 24.11 N ATOM 1148 CA ARG A 68 3.410 -4.583 5.343 1.00 61.41 C ATOM 1149 C ARG A 68 3.731 -5.045 3.913 1.00 31.01 C ATOM 1150 O ARG A 68 3.938 -6.236 3.699 1.00 43.22 O ATOM 1151 CB ARG A 68 1.882 -4.566 5.594 1.00 14.01 C ATOM 1152 CG ARG A 68 1.474 -4.198 7.057 1.00 12.15 C ATOM 1153 CD ARG A 68 0.320 -5.038 7.602 1.00 20.53 C ATOM 1154 NE ARG A 68 0.670 -6.469 7.647 1.00 34.31 N ATOM 1155 CZ ARG A 68 -0.157 -7.484 7.370 1.00 2.45 C ATOM 1156 NH1 ARG A 68 -1.425 -7.269 7.008 1.00 30.44 N ATOM 1157 NH2 ARG A 68 0.297 -8.719 7.462 1.00 55.41 N ATOM 0 H ARG A 68 3.367 -2.503 5.648 1.00 24.11 H new ATOM 0 HA ARG A 68 3.838 -5.301 6.042 1.00 61.41 H new ATOM 0 HB2 ARG A 68 1.421 -3.853 4.911 1.00 14.01 H new ATOM 0 HB3 ARG A 68 1.475 -5.548 5.352 1.00 14.01 H new ATOM 0 HG2 ARG A 68 2.340 -4.320 7.708 1.00 12.15 H new ATOM 0 HG3 ARG A 68 1.194 -3.145 7.093 1.00 12.15 H new ATOM 0 HD2 ARG A 68 0.059 -4.694 8.603 1.00 20.53 H new ATOM 0 HD3 ARG A 68 -0.562 -4.897 6.977 1.00 20.53 H new ATOM 0 HE ARG A 68 1.626 -6.706 7.912 1.00 34.31 H new ATOM 0 HH11 ARG A 68 -1.781 -6.316 6.938 1.00 30.44 H new ATOM 0 HH12 ARG A 68 -2.037 -8.058 6.802 1.00 30.44 H new ATOM 0 HH21 ARG A 68 1.264 -8.888 7.740 1.00 55.41 H new ATOM 0 HH22 ARG A 68 -0.319 -9.505 7.255 1.00 55.41 H new ATOM 1171 N ILE A 69 3.785 -4.090 2.944 1.00 3.35 N ATOM 1172 CA ILE A 69 4.271 -4.361 1.564 1.00 44.45 C ATOM 1173 C ILE A 69 5.716 -4.894 1.624 1.00 41.12 C ATOM 1174 O ILE A 69 6.054 -5.896 0.983 1.00 15.22 O ATOM 1175 CB ILE A 69 4.247 -3.065 0.656 1.00 52.03 C ATOM 1176 CG1 ILE A 69 2.796 -2.518 0.473 1.00 12.34 C ATOM 1177 CG2 ILE A 69 4.915 -3.320 -0.722 1.00 10.42 C ATOM 1178 CD1 ILE A 69 2.718 -1.163 -0.222 1.00 23.14 C ATOM 0 H ILE A 69 3.497 -3.123 3.095 1.00 3.35 H new ATOM 0 HA ILE A 69 3.601 -5.098 1.122 1.00 44.45 H new ATOM 0 HB ILE A 69 4.829 -2.303 1.175 1.00 52.03 H new ATOM 0 HG12 ILE A 69 2.218 -3.241 -0.102 1.00 12.34 H new ATOM 0 HG13 ILE A 69 2.324 -2.438 1.452 1.00 12.34 H new ATOM 0 HG21 ILE A 69 4.880 -2.408 -1.318 1.00 10.42 H new ATOM 0 HG22 ILE A 69 5.953 -3.617 -0.574 1.00 10.42 H new ATOM 0 HG23 ILE A 69 4.382 -4.115 -1.243 1.00 10.42 H new ATOM 0 HD11 ILE A 69 1.675 -0.858 -0.308 1.00 23.14 H new ATOM 0 HD12 ILE A 69 3.266 -0.423 0.361 1.00 23.14 H new ATOM 0 HD13 ILE A 69 3.157 -1.238 -1.217 1.00 23.14 H new ATOM 1190 N ARG A 70 6.537 -4.211 2.457 1.00 44.31 N ATOM 1191 CA ARG A 70 7.957 -4.542 2.679 1.00 4.40 C ATOM 1192 C ARG A 70 8.109 -6.014 3.111 1.00 1.23 C ATOM 1193 O ARG A 70 8.965 -6.735 2.578 1.00 14.32 O ATOM 1194 CB ARG A 70 8.562 -3.617 3.765 1.00 24.12 C ATOM 1195 CG ARG A 70 10.074 -3.833 4.026 1.00 22.21 C ATOM 1196 CD ARG A 70 10.520 -3.513 5.460 1.00 50.11 C ATOM 1197 NE ARG A 70 10.472 -2.077 5.821 1.00 64.12 N ATOM 1198 CZ ARG A 70 11.452 -1.422 6.483 1.00 15.24 C ATOM 1199 NH1 ARG A 70 12.565 -2.056 6.850 1.00 53.34 N ATOM 1200 NH2 ARG A 70 11.285 -0.154 6.828 1.00 64.13 N ATOM 0 H ARG A 70 6.224 -3.405 2.998 1.00 44.31 H new ATOM 0 HA ARG A 70 8.492 -4.391 1.741 1.00 4.40 H new ATOM 0 HB2 ARG A 70 8.402 -2.580 3.471 1.00 24.12 H new ATOM 0 HB3 ARG A 70 8.020 -3.771 4.698 1.00 24.12 H new ATOM 0 HG2 ARG A 70 10.325 -4.870 3.803 1.00 22.21 H new ATOM 0 HG3 ARG A 70 10.643 -3.212 3.334 1.00 22.21 H new ATOM 0 HD2 ARG A 70 9.889 -4.069 6.154 1.00 50.11 H new ATOM 0 HD3 ARG A 70 11.539 -3.874 5.597 1.00 50.11 H new ATOM 0 HE ARG A 70 9.643 -1.547 5.552 1.00 64.12 H new ATOM 0 HH11 ARG A 70 12.684 -3.045 6.632 1.00 53.34 H new ATOM 0 HH12 ARG A 70 13.298 -1.552 7.349 1.00 53.34 H new ATOM 0 HH21 ARG A 70 10.417 0.328 6.594 1.00 64.13 H new ATOM 0 HH22 ARG A 70 12.024 0.340 7.327 1.00 64.13 H new ATOM 1214 N GLU A 71 7.217 -6.446 4.043 1.00 42.42 N ATOM 1215 CA GLU A 71 7.171 -7.830 4.547 1.00 34.32 C ATOM 1216 C GLU A 71 7.039 -8.806 3.383 1.00 12.13 C ATOM 1217 O GLU A 71 7.770 -9.792 3.311 1.00 43.02 O ATOM 1218 CB GLU A 71 5.965 -8.052 5.500 1.00 41.44 C ATOM 1219 CG GLU A 71 5.959 -7.184 6.760 1.00 65.24 C ATOM 1220 CD GLU A 71 4.836 -7.577 7.730 1.00 21.23 C ATOM 1221 OE1 GLU A 71 3.651 -7.325 7.419 1.00 42.35 O ATOM 1222 OE2 GLU A 71 5.130 -8.147 8.807 1.00 64.52 O ATOM 0 H GLU A 71 6.513 -5.838 4.461 1.00 42.42 H new ATOM 0 HA GLU A 71 8.097 -8.004 5.095 1.00 34.32 H new ATOM 0 HB2 GLU A 71 5.046 -7.865 4.945 1.00 41.44 H new ATOM 0 HB3 GLU A 71 5.948 -9.100 5.800 1.00 41.44 H new ATOM 0 HG2 GLU A 71 6.921 -7.273 7.265 1.00 65.24 H new ATOM 0 HG3 GLU A 71 5.843 -6.138 6.478 1.00 65.24 H new ATOM 1229 N LYS A 72 6.128 -8.459 2.453 1.00 11.42 N ATOM 1230 CA LYS A 72 5.705 -9.342 1.360 1.00 33.53 C ATOM 1231 C LYS A 72 6.834 -9.527 0.345 1.00 35.23 C ATOM 1232 O LYS A 72 7.205 -10.660 0.017 1.00 12.31 O ATOM 1233 CB LYS A 72 4.446 -8.765 0.656 1.00 64.04 C ATOM 1234 CG LYS A 72 3.281 -8.400 1.594 1.00 63.40 C ATOM 1235 CD LYS A 72 2.857 -9.547 2.539 1.00 52.51 C ATOM 1236 CE LYS A 72 1.668 -9.151 3.427 1.00 22.32 C ATOM 1237 NZ LYS A 72 1.091 -10.332 4.116 1.00 44.55 N ATOM 0 H LYS A 72 5.664 -7.550 2.443 1.00 11.42 H new ATOM 0 HA LYS A 72 5.458 -10.315 1.785 1.00 33.53 H new ATOM 0 HB2 LYS A 72 4.737 -7.874 0.100 1.00 64.04 H new ATOM 0 HB3 LYS A 72 4.090 -9.494 -0.072 1.00 64.04 H new ATOM 0 HG2 LYS A 72 3.567 -7.535 2.193 1.00 63.40 H new ATOM 0 HG3 LYS A 72 2.422 -8.102 0.992 1.00 63.40 H new ATOM 0 HD2 LYS A 72 2.592 -10.424 1.949 1.00 52.51 H new ATOM 0 HD3 LYS A 72 3.701 -9.829 3.168 1.00 52.51 H new ATOM 0 HE2 LYS A 72 1.992 -8.419 4.166 1.00 22.32 H new ATOM 0 HE3 LYS A 72 0.901 -8.672 2.819 1.00 22.32 H new ATOM 0 HZ1 LYS A 72 0.419 -10.015 4.844 1.00 44.55 H new ATOM 0 HZ2 LYS A 72 0.596 -10.930 3.424 1.00 44.55 H new ATOM 0 HZ3 LYS A 72 1.853 -10.880 4.564 1.00 44.55 H new ATOM 1251 N ILE A 73 7.393 -8.397 -0.109 1.00 31.31 N ATOM 1252 CA ILE A 73 8.389 -8.375 -1.186 1.00 10.23 C ATOM 1253 C ILE A 73 9.711 -9.049 -0.741 1.00 31.41 C ATOM 1254 O ILE A 73 10.415 -9.635 -1.561 1.00 25.52 O ATOM 1255 CB ILE A 73 8.625 -6.893 -1.721 1.00 40.54 C ATOM 1256 CG1 ILE A 73 9.295 -5.941 -0.642 1.00 41.42 C ATOM 1257 CG2 ILE A 73 7.292 -6.285 -2.234 1.00 3.12 C ATOM 1258 CD1 ILE A 73 10.807 -5.785 -0.778 1.00 73.43 C ATOM 0 H ILE A 73 7.167 -7.474 0.261 1.00 31.31 H new ATOM 0 HA ILE A 73 7.997 -8.958 -2.019 1.00 10.23 H new ATOM 0 HB ILE A 73 9.331 -6.967 -2.548 1.00 40.54 H new ATOM 0 HG12 ILE A 73 8.834 -4.956 -0.711 1.00 41.42 H new ATOM 0 HG13 ILE A 73 9.072 -6.328 0.352 1.00 41.42 H new ATOM 0 HG21 ILE A 73 7.470 -5.272 -2.596 1.00 3.12 H new ATOM 0 HG22 ILE A 73 6.901 -6.898 -3.046 1.00 3.12 H new ATOM 0 HG23 ILE A 73 6.568 -6.257 -1.420 1.00 3.12 H new ATOM 0 HD11 ILE A 73 11.175 -5.118 0.001 1.00 73.43 H new ATOM 0 HD12 ILE A 73 11.284 -6.760 -0.676 1.00 73.43 H new ATOM 0 HD13 ILE A 73 11.043 -5.366 -1.756 1.00 73.43 H new ATOM 1270 N GLU A 74 10.025 -8.970 0.579 1.00 10.03 N ATOM 1271 CA GLU A 74 11.238 -9.593 1.158 1.00 32.14 C ATOM 1272 C GLU A 74 11.049 -11.108 1.394 1.00 70.33 C ATOM 1273 O GLU A 74 11.947 -11.901 1.081 1.00 32.50 O ATOM 1274 CB GLU A 74 11.641 -8.892 2.484 1.00 50.14 C ATOM 1275 CG GLU A 74 12.046 -7.410 2.325 1.00 25.43 C ATOM 1276 CD GLU A 74 12.543 -6.776 3.631 1.00 52.35 C ATOM 1277 OE1 GLU A 74 13.737 -6.415 3.727 1.00 24.45 O ATOM 1278 OE2 GLU A 74 11.742 -6.666 4.584 1.00 43.11 O ATOM 0 H GLU A 74 9.450 -8.478 1.262 1.00 10.03 H new ATOM 0 HA GLU A 74 12.041 -9.465 0.432 1.00 32.14 H new ATOM 0 HB2 GLU A 74 10.806 -8.955 3.182 1.00 50.14 H new ATOM 0 HB3 GLU A 74 12.472 -9.437 2.931 1.00 50.14 H new ATOM 0 HG2 GLU A 74 12.829 -7.333 1.570 1.00 25.43 H new ATOM 0 HG3 GLU A 74 11.191 -6.844 1.956 1.00 25.43 H new ATOM 1285 N ARG A 75 9.879 -11.504 1.951 1.00 72.02 N ATOM 1286 CA ARG A 75 9.599 -12.924 2.293 1.00 41.13 C ATOM 1287 C ARG A 75 9.416 -13.771 1.021 1.00 73.23 C ATOM 1288 O ARG A 75 9.634 -14.987 1.039 1.00 53.51 O ATOM 1289 CB ARG A 75 8.361 -13.066 3.231 1.00 43.40 C ATOM 1290 CG ARG A 75 7.004 -12.692 2.595 1.00 72.22 C ATOM 1291 CD ARG A 75 5.836 -12.731 3.594 1.00 15.30 C ATOM 1292 NE ARG A 75 6.051 -11.835 4.752 1.00 0.14 N ATOM 1293 CZ ARG A 75 5.330 -11.853 5.893 1.00 72.25 C ATOM 1294 NH1 ARG A 75 4.323 -12.713 6.058 1.00 14.41 N ATOM 1295 NH2 ARG A 75 5.642 -11.018 6.878 1.00 41.41 N ATOM 0 H ARG A 75 9.116 -10.865 2.173 1.00 72.02 H new ATOM 0 HA ARG A 75 10.466 -13.299 2.837 1.00 41.13 H new ATOM 0 HB2 ARG A 75 8.308 -14.097 3.581 1.00 43.40 H new ATOM 0 HB3 ARG A 75 8.517 -12.439 4.109 1.00 43.40 H new ATOM 0 HG2 ARG A 75 7.074 -11.692 2.167 1.00 72.22 H new ATOM 0 HG3 ARG A 75 6.794 -13.377 1.773 1.00 72.22 H new ATOM 0 HD2 ARG A 75 4.916 -12.446 3.084 1.00 15.30 H new ATOM 0 HD3 ARG A 75 5.700 -13.752 3.949 1.00 15.30 H new ATOM 0 HE ARG A 75 6.803 -11.150 4.682 1.00 0.14 H new ATOM 0 HH11 ARG A 75 4.087 -13.371 5.315 1.00 14.41 H new ATOM 0 HH12 ARG A 75 3.789 -12.712 6.927 1.00 14.41 H new ATOM 0 HH21 ARG A 75 6.422 -10.369 6.769 1.00 41.41 H new ATOM 0 HH22 ARG A 75 5.102 -11.026 7.743 1.00 41.41 H new ATOM 1309 N GLU A 76 8.984 -13.110 -0.069 1.00 72.13 N ATOM 1310 CA GLU A 76 8.919 -13.714 -1.399 1.00 10.22 C ATOM 1311 C GLU A 76 10.302 -13.590 -2.067 1.00 60.21 C ATOM 1312 O GLU A 76 11.063 -14.566 -2.104 1.00 54.43 O ATOM 1313 CB GLU A 76 7.814 -13.035 -2.250 1.00 40.03 C ATOM 1314 CG GLU A 76 7.709 -13.544 -3.728 1.00 61.11 C ATOM 1315 CD GLU A 76 7.871 -12.463 -4.823 1.00 65.54 C ATOM 1316 OE1 GLU A 76 8.415 -11.378 -4.540 1.00 73.41 O ATOM 1317 OE2 GLU A 76 7.511 -12.739 -5.988 1.00 54.42 O ATOM 0 H GLU A 76 8.671 -12.140 -0.045 1.00 72.13 H new ATOM 0 HA GLU A 76 8.659 -14.769 -1.317 1.00 10.22 H new ATOM 0 HB2 GLU A 76 6.853 -13.189 -1.760 1.00 40.03 H new ATOM 0 HB3 GLU A 76 7.996 -11.960 -2.264 1.00 40.03 H new ATOM 0 HG2 GLU A 76 8.469 -14.310 -3.884 1.00 61.11 H new ATOM 0 HG3 GLU A 76 6.740 -14.025 -3.859 1.00 61.11 H new ATOM 1324 N GLY A 77 10.628 -12.359 -2.560 1.00 70.21 N ATOM 1325 CA GLY A 77 11.906 -12.075 -3.229 1.00 73.12 C ATOM 1326 C GLY A 77 12.150 -12.960 -4.447 1.00 64.10 C ATOM 1327 O GLY A 77 13.295 -13.316 -4.749 1.00 32.02 O ATOM 0 H GLY A 77 10.009 -11.551 -2.499 1.00 70.21 H new ATOM 0 HA2 GLY A 77 11.924 -11.030 -3.537 1.00 73.12 H new ATOM 0 HA3 GLY A 77 12.721 -12.212 -2.518 1.00 73.12 H new ATOM 1331 N SER A 78 11.063 -13.312 -5.143 1.00 62.22 N ATOM 1332 CA SER A 78 11.102 -14.274 -6.249 1.00 40.01 C ATOM 1333 C SER A 78 11.095 -13.533 -7.587 1.00 50.53 C ATOM 1334 O SER A 78 12.116 -13.526 -8.290 1.00 31.45 O ATOM 1335 CB SER A 78 9.920 -15.270 -6.137 1.00 22.23 C ATOM 1336 OG SER A 78 9.979 -16.274 -7.138 1.00 62.03 O ATOM 0 H SER A 78 10.133 -12.938 -4.955 1.00 62.22 H new ATOM 0 HA SER A 78 12.024 -14.852 -6.193 1.00 40.01 H new ATOM 0 HB2 SER A 78 9.931 -15.738 -5.152 1.00 22.23 H new ATOM 0 HB3 SER A 78 8.978 -14.727 -6.222 1.00 22.23 H new ATOM 0 HG SER A 78 9.219 -16.884 -7.035 1.00 62.03 H new ATOM 1342 N SER A 79 9.954 -12.883 -7.897 1.00 34.13 N ATOM 1343 CA SER A 79 9.732 -12.190 -9.177 1.00 73.32 C ATOM 1344 C SER A 79 8.295 -11.629 -9.230 1.00 42.13 C ATOM 1345 O SER A 79 8.084 -10.427 -9.428 1.00 61.42 O ATOM 1346 CB SER A 79 9.951 -13.158 -10.380 1.00 72.43 C ATOM 1347 OG SER A 79 9.854 -12.491 -11.631 1.00 2.54 O ATOM 0 H SER A 79 9.159 -12.826 -7.261 1.00 34.13 H new ATOM 0 HA SER A 79 10.450 -11.373 -9.248 1.00 73.32 H new ATOM 0 HB2 SER A 79 10.932 -13.625 -10.294 1.00 72.43 H new ATOM 0 HB3 SER A 79 9.212 -13.959 -10.339 1.00 72.43 H new ATOM 0 HG SER A 79 9.999 -13.134 -12.356 1.00 2.54 H new ATOM 1353 N GLU A 80 7.314 -12.532 -9.039 1.00 64.41 N ATOM 1354 CA GLU A 80 5.885 -12.259 -9.273 1.00 32.32 C ATOM 1355 C GLU A 80 5.257 -11.514 -8.074 1.00 62.20 C ATOM 1356 O GLU A 80 4.758 -12.135 -7.128 1.00 15.23 O ATOM 1357 CB GLU A 80 5.149 -13.601 -9.568 1.00 70.03 C ATOM 1358 CG GLU A 80 3.635 -13.499 -9.889 1.00 15.45 C ATOM 1359 CD GLU A 80 3.335 -12.736 -11.191 1.00 3.24 C ATOM 1360 OE1 GLU A 80 3.336 -13.361 -12.274 1.00 53.42 O ATOM 1361 OE2 GLU A 80 3.091 -11.513 -11.137 1.00 13.24 O ATOM 0 H GLU A 80 7.495 -13.482 -8.714 1.00 64.41 H new ATOM 0 HA GLU A 80 5.779 -11.605 -10.138 1.00 32.32 H new ATOM 0 HB2 GLU A 80 5.645 -14.085 -10.409 1.00 70.03 H new ATOM 0 HB3 GLU A 80 5.272 -14.256 -8.705 1.00 70.03 H new ATOM 0 HG2 GLU A 80 3.218 -14.504 -9.961 1.00 15.45 H new ATOM 0 HG3 GLU A 80 3.129 -13.003 -9.061 1.00 15.45 H new ATOM 1368 N VAL A 81 5.336 -10.173 -8.115 1.00 20.13 N ATOM 1369 CA VAL A 81 4.784 -9.284 -7.079 1.00 4.14 C ATOM 1370 C VAL A 81 4.165 -8.016 -7.720 1.00 0.23 C ATOM 1371 O VAL A 81 4.775 -7.386 -8.590 1.00 1.12 O ATOM 1372 CB VAL A 81 5.876 -8.905 -6.000 1.00 64.43 C ATOM 1373 CG1 VAL A 81 7.153 -8.301 -6.640 1.00 75.23 C ATOM 1374 CG2 VAL A 81 5.285 -7.977 -4.907 1.00 43.04 C ATOM 0 H VAL A 81 5.790 -9.670 -8.877 1.00 20.13 H new ATOM 0 HA VAL A 81 3.991 -9.824 -6.562 1.00 4.14 H new ATOM 0 HB VAL A 81 6.184 -9.832 -5.516 1.00 64.43 H new ATOM 0 HG11 VAL A 81 7.872 -8.058 -5.858 1.00 75.23 H new ATOM 0 HG12 VAL A 81 7.594 -9.025 -7.325 1.00 75.23 H new ATOM 0 HG13 VAL A 81 6.892 -7.395 -7.188 1.00 75.23 H new ATOM 0 HG21 VAL A 81 6.059 -7.733 -4.179 1.00 43.04 H new ATOM 0 HG22 VAL A 81 4.918 -7.060 -5.368 1.00 43.04 H new ATOM 0 HG23 VAL A 81 4.462 -8.485 -4.405 1.00 43.04 H new ATOM 1384 N GLU A 82 2.929 -7.685 -7.298 1.00 33.20 N ATOM 1385 CA GLU A 82 2.197 -6.487 -7.743 1.00 51.02 C ATOM 1386 C GLU A 82 1.384 -5.912 -6.564 1.00 51.12 C ATOM 1387 O GLU A 82 0.595 -6.626 -5.956 1.00 44.43 O ATOM 1388 CB GLU A 82 1.250 -6.826 -8.919 1.00 42.43 C ATOM 1389 CG GLU A 82 0.496 -5.601 -9.493 1.00 3.12 C ATOM 1390 CD GLU A 82 -0.522 -5.969 -10.581 1.00 72.33 C ATOM 1391 OE1 GLU A 82 -0.244 -5.750 -11.784 1.00 43.43 O ATOM 1392 OE2 GLU A 82 -1.602 -6.493 -10.231 1.00 43.22 O ATOM 0 H GLU A 82 2.406 -8.251 -6.630 1.00 33.20 H new ATOM 0 HA GLU A 82 2.918 -5.746 -8.087 1.00 51.02 H new ATOM 0 HB2 GLU A 82 1.830 -7.290 -9.717 1.00 42.43 H new ATOM 0 HB3 GLU A 82 0.521 -7.564 -8.584 1.00 42.43 H new ATOM 0 HG2 GLU A 82 -0.020 -5.088 -8.681 1.00 3.12 H new ATOM 0 HG3 GLU A 82 1.220 -4.898 -9.905 1.00 3.12 H new ATOM 1399 N VAL A 83 1.568 -4.621 -6.269 1.00 22.25 N ATOM 1400 CA VAL A 83 0.865 -3.907 -5.190 1.00 44.24 C ATOM 1401 C VAL A 83 -0.291 -3.084 -5.788 1.00 64.11 C ATOM 1402 O VAL A 83 -0.061 -2.159 -6.563 1.00 50.21 O ATOM 1403 CB VAL A 83 1.854 -2.955 -4.421 1.00 54.10 C ATOM 1404 CG1 VAL A 83 1.124 -2.152 -3.317 1.00 24.43 C ATOM 1405 CG2 VAL A 83 3.047 -3.762 -3.852 1.00 72.53 C ATOM 0 H VAL A 83 2.222 -4.029 -6.781 1.00 22.25 H new ATOM 0 HA VAL A 83 0.469 -4.637 -4.485 1.00 44.24 H new ATOM 0 HB VAL A 83 2.249 -2.227 -5.130 1.00 54.10 H new ATOM 0 HG11 VAL A 83 1.837 -1.505 -2.806 1.00 24.43 H new ATOM 0 HG12 VAL A 83 0.340 -1.544 -3.768 1.00 24.43 H new ATOM 0 HG13 VAL A 83 0.680 -2.841 -2.599 1.00 24.43 H new ATOM 0 HG21 VAL A 83 3.722 -3.089 -3.323 1.00 72.53 H new ATOM 0 HG22 VAL A 83 2.677 -4.521 -3.163 1.00 72.53 H new ATOM 0 HG23 VAL A 83 3.583 -4.245 -4.669 1.00 72.53 H new ATOM 1415 N ASN A 84 -1.528 -3.446 -5.436 1.00 35.30 N ATOM 1416 CA ASN A 84 -2.742 -2.790 -5.951 1.00 12.34 C ATOM 1417 C ASN A 84 -3.294 -1.869 -4.855 1.00 10.01 C ATOM 1418 O ASN A 84 -3.871 -2.345 -3.884 1.00 74.02 O ATOM 1419 CB ASN A 84 -3.820 -3.848 -6.333 1.00 12.03 C ATOM 1420 CG ASN A 84 -3.443 -4.841 -7.437 1.00 43.00 C ATOM 1421 OD1 ASN A 84 -2.209 -5.321 -7.466 1.00 64.21 O flip ATOM 1422 ND2 ASN A 84 -4.292 -5.225 -8.248 1.00 21.44 N flip ATOM 0 H ASN A 84 -1.721 -4.205 -4.783 1.00 35.30 H new ATOM 0 HA ASN A 84 -2.494 -2.218 -6.845 1.00 12.34 H new ATOM 0 HB2 ASN A 84 -4.074 -4.414 -5.437 1.00 12.03 H new ATOM 0 HB3 ASN A 84 -4.722 -3.320 -6.643 1.00 12.03 H new ATOM 0 HD21 ASN A 84 -5.238 -4.846 -8.213 1.00 21.44 H new ATOM 0 HD22 ASN A 84 -4.047 -5.921 -8.952 1.00 21.44 H new ATOM 1429 N VAL A 85 -3.123 -0.554 -5.014 1.00 4.33 N ATOM 1430 CA VAL A 85 -3.666 0.442 -4.081 1.00 61.42 C ATOM 1431 C VAL A 85 -5.014 0.936 -4.623 1.00 1.14 C ATOM 1432 O VAL A 85 -5.066 1.639 -5.626 1.00 43.42 O ATOM 1433 CB VAL A 85 -2.666 1.635 -3.864 1.00 41.10 C ATOM 1434 CG1 VAL A 85 -3.249 2.716 -2.915 1.00 33.20 C ATOM 1435 CG2 VAL A 85 -1.310 1.106 -3.342 1.00 32.21 C ATOM 0 H VAL A 85 -2.604 -0.148 -5.793 1.00 4.33 H new ATOM 0 HA VAL A 85 -3.812 -0.020 -3.105 1.00 61.42 H new ATOM 0 HB VAL A 85 -2.505 2.116 -4.829 1.00 41.10 H new ATOM 0 HG11 VAL A 85 -2.525 3.522 -2.793 1.00 33.20 H new ATOM 0 HG12 VAL A 85 -4.169 3.116 -3.341 1.00 33.20 H new ATOM 0 HG13 VAL A 85 -3.463 2.270 -1.944 1.00 33.20 H new ATOM 0 HG21 VAL A 85 -0.626 1.942 -3.196 1.00 32.21 H new ATOM 0 HG22 VAL A 85 -1.461 0.590 -2.394 1.00 32.21 H new ATOM 0 HG23 VAL A 85 -0.886 0.413 -4.068 1.00 32.21 H new ATOM 1445 N HIS A 86 -6.093 0.508 -3.966 1.00 3.12 N ATOM 1446 CA HIS A 86 -7.476 0.815 -4.349 1.00 53.13 C ATOM 1447 C HIS A 86 -7.966 1.949 -3.440 1.00 60.41 C ATOM 1448 O HIS A 86 -7.908 1.813 -2.210 1.00 52.13 O ATOM 1449 CB HIS A 86 -8.383 -0.433 -4.157 1.00 33.01 C ATOM 1450 CG HIS A 86 -7.824 -1.730 -4.697 1.00 5.02 C ATOM 1451 ND1 HIS A 86 -8.058 -2.178 -5.971 1.00 62.22 N ATOM 1452 CD2 HIS A 86 -7.060 -2.688 -4.112 1.00 3.13 C ATOM 1453 CE1 HIS A 86 -7.475 -3.344 -6.145 1.00 13.20 C ATOM 1454 NE2 HIS A 86 -6.861 -3.674 -5.036 1.00 62.14 N ATOM 0 H HIS A 86 -6.030 -0.076 -3.132 1.00 3.12 H new ATOM 0 HA HIS A 86 -7.518 1.108 -5.398 1.00 53.13 H new ATOM 0 HB2 HIS A 86 -8.580 -0.557 -3.092 1.00 33.01 H new ATOM 0 HB3 HIS A 86 -9.342 -0.242 -4.639 1.00 33.01 H new ATOM 0 HD2 HIS A 86 -6.679 -2.673 -3.101 1.00 3.13 H new ATOM 0 HE1 HIS A 86 -7.499 -3.931 -7.051 1.00 13.20 H new ATOM 0 HE2 HIS A 86 -6.323 -4.527 -4.887 1.00 62.14 H new ATOM 1463 N SER A 87 -8.432 3.057 -4.026 1.00 54.53 N ATOM 1464 CA SER A 87 -8.845 4.238 -3.261 1.00 60.13 C ATOM 1465 C SER A 87 -9.816 5.081 -4.090 1.00 72.31 C ATOM 1466 O SER A 87 -9.428 5.637 -5.128 1.00 24.14 O ATOM 1467 CB SER A 87 -7.605 5.064 -2.854 1.00 70.54 C ATOM 1468 OG SER A 87 -7.959 6.132 -2.002 1.00 71.51 O ATOM 0 H SER A 87 -8.533 3.160 -5.036 1.00 54.53 H new ATOM 0 HA SER A 87 -9.356 3.919 -2.352 1.00 60.13 H new ATOM 0 HB2 SER A 87 -6.884 4.419 -2.352 1.00 70.54 H new ATOM 0 HB3 SER A 87 -7.116 5.454 -3.747 1.00 70.54 H new ATOM 0 HG SER A 87 -8.457 6.805 -2.511 1.00 71.51 H new ATOM 1474 N GLY A 88 -11.095 5.118 -3.640 1.00 64.43 N ATOM 1475 CA GLY A 88 -12.146 5.919 -4.281 1.00 63.53 C ATOM 1476 C GLY A 88 -12.535 5.419 -5.672 1.00 12.41 C ATOM 1477 O GLY A 88 -13.190 6.148 -6.428 1.00 63.40 O ATOM 0 H GLY A 88 -11.417 4.593 -2.827 1.00 64.43 H new ATOM 0 HA2 GLY A 88 -13.030 5.919 -3.644 1.00 63.53 H new ATOM 0 HA3 GLY A 88 -11.808 6.952 -4.357 1.00 63.53 H new ATOM 1481 N GLY A 89 -12.139 4.168 -5.995 1.00 51.31 N ATOM 1482 CA GLY A 89 -12.390 3.565 -7.312 1.00 21.52 C ATOM 1483 C GLY A 89 -11.144 3.471 -8.187 1.00 30.52 C ATOM 1484 O GLY A 89 -11.166 2.776 -9.205 1.00 74.13 O ATOM 0 H GLY A 89 -11.640 3.555 -5.350 1.00 51.31 H new ATOM 0 HA2 GLY A 89 -12.802 2.566 -7.172 1.00 21.52 H new ATOM 0 HA3 GLY A 89 -13.146 4.152 -7.833 1.00 21.52 H new ATOM 1488 N GLN A 90 -10.065 4.188 -7.813 1.00 15.32 N ATOM 1489 CA GLN A 90 -8.790 4.181 -8.566 1.00 62.12 C ATOM 1490 C GLN A 90 -7.854 3.095 -8.009 1.00 61.32 C ATOM 1491 O GLN A 90 -7.582 3.071 -6.806 1.00 74.42 O ATOM 1492 CB GLN A 90 -8.083 5.573 -8.495 1.00 40.14 C ATOM 1493 CG GLN A 90 -8.768 6.716 -9.287 1.00 2.33 C ATOM 1494 CD GLN A 90 -10.126 7.171 -8.736 1.00 62.04 C ATOM 1495 OE1 GLN A 90 -11.019 7.562 -9.496 1.00 4.00 O ATOM 1496 NE2 GLN A 90 -10.279 7.194 -7.418 1.00 65.14 N ATOM 0 H GLN A 90 -10.050 4.785 -6.986 1.00 15.32 H new ATOM 0 HA GLN A 90 -9.018 3.965 -9.610 1.00 62.12 H new ATOM 0 HB2 GLN A 90 -8.013 5.872 -7.449 1.00 40.14 H new ATOM 0 HB3 GLN A 90 -7.063 5.461 -8.863 1.00 40.14 H new ATOM 0 HG2 GLN A 90 -8.097 7.574 -9.308 1.00 2.33 H new ATOM 0 HG3 GLN A 90 -8.903 6.391 -10.319 1.00 2.33 H new ATOM 0 HE21 GLN A 90 -9.527 6.866 -6.812 1.00 65.14 H new ATOM 0 HE22 GLN A 90 -11.148 7.540 -7.011 1.00 65.14 H new ATOM 1505 N THR A 91 -7.363 2.207 -8.893 1.00 25.20 N ATOM 1506 CA THR A 91 -6.404 1.150 -8.532 1.00 64.44 C ATOM 1507 C THR A 91 -5.055 1.404 -9.217 1.00 51.13 C ATOM 1508 O THR A 91 -4.948 1.314 -10.445 1.00 43.12 O ATOM 1509 CB THR A 91 -6.935 -0.262 -8.932 1.00 65.13 C ATOM 1510 OG1 THR A 91 -8.194 -0.496 -8.272 1.00 41.00 O ATOM 1511 CG2 THR A 91 -5.935 -1.385 -8.576 1.00 64.25 C ATOM 0 H THR A 91 -7.622 2.203 -9.880 1.00 25.20 H new ATOM 0 HA THR A 91 -6.276 1.174 -7.450 1.00 64.44 H new ATOM 0 HB THR A 91 -7.065 -0.280 -10.014 1.00 65.13 H new ATOM 0 HG1 THR A 91 -8.068 -1.144 -7.547 1.00 41.00 H new ATOM 0 HG21 THR A 91 -6.349 -2.349 -8.873 1.00 64.25 H new ATOM 0 HG22 THR A 91 -4.995 -1.216 -9.102 1.00 64.25 H new ATOM 0 HG23 THR A 91 -5.754 -1.384 -7.501 1.00 64.25 H new ATOM 1519 N TRP A 92 -4.034 1.744 -8.422 1.00 4.34 N ATOM 1520 CA TRP A 92 -2.657 1.880 -8.906 1.00 74.00 C ATOM 1521 C TRP A 92 -1.923 0.547 -8.673 1.00 4.04 C ATOM 1522 O TRP A 92 -1.759 0.126 -7.527 1.00 14.12 O ATOM 1523 CB TRP A 92 -1.950 3.043 -8.170 1.00 30.22 C ATOM 1524 CG TRP A 92 -2.657 4.373 -8.316 1.00 33.14 C ATOM 1525 CD1 TRP A 92 -2.559 5.250 -9.360 1.00 0.41 C ATOM 1526 CD2 TRP A 92 -3.579 4.967 -7.386 1.00 42.51 C ATOM 1527 NE1 TRP A 92 -3.359 6.345 -9.133 1.00 65.23 N ATOM 1528 CE2 TRP A 92 -3.988 6.195 -7.925 1.00 53.21 C ATOM 1529 CE3 TRP A 92 -4.092 4.575 -6.148 1.00 73.32 C ATOM 1530 CZ2 TRP A 92 -4.885 7.035 -7.270 1.00 15.42 C ATOM 1531 CZ3 TRP A 92 -4.982 5.403 -5.497 1.00 24.21 C ATOM 1532 CH2 TRP A 92 -5.372 6.625 -6.057 1.00 72.22 C ATOM 0 H TRP A 92 -4.140 1.932 -7.425 1.00 4.34 H new ATOM 0 HA TRP A 92 -2.651 2.110 -9.971 1.00 74.00 H new ATOM 0 HB2 TRP A 92 -1.872 2.797 -7.111 1.00 30.22 H new ATOM 0 HB3 TRP A 92 -0.933 3.138 -8.551 1.00 30.22 H new ATOM 0 HD1 TRP A 92 -1.943 5.104 -10.235 1.00 0.41 H new ATOM 0 HE1 TRP A 92 -3.467 7.141 -9.762 1.00 65.23 H new ATOM 0 HE3 TRP A 92 -3.796 3.635 -5.706 1.00 73.32 H new ATOM 0 HZ2 TRP A 92 -5.186 7.977 -7.703 1.00 15.42 H new ATOM 0 HZ3 TRP A 92 -5.384 5.104 -4.540 1.00 24.21 H new ATOM 0 HH2 TRP A 92 -6.068 7.255 -5.524 1.00 72.22 H new ATOM 1543 N THR A 93 -1.514 -0.122 -9.760 1.00 71.05 N ATOM 1544 CA THR A 93 -0.819 -1.425 -9.706 1.00 14.12 C ATOM 1545 C THR A 93 0.704 -1.212 -9.858 1.00 62.23 C ATOM 1546 O THR A 93 1.144 -0.554 -10.810 1.00 2.01 O ATOM 1547 CB THR A 93 -1.374 -2.385 -10.814 1.00 13.21 C ATOM 1548 OG1 THR A 93 -1.349 -1.738 -12.089 1.00 55.13 O ATOM 1549 CG2 THR A 93 -2.813 -2.841 -10.515 1.00 53.42 C ATOM 0 H THR A 93 -1.655 0.224 -10.709 1.00 71.05 H new ATOM 0 HA THR A 93 -1.004 -1.893 -8.739 1.00 14.12 H new ATOM 0 HB THR A 93 -0.729 -3.264 -10.825 1.00 13.21 H new ATOM 0 HG1 THR A 93 -0.649 -1.052 -12.094 1.00 55.13 H new ATOM 0 HG21 THR A 93 -3.157 -3.504 -11.309 1.00 53.42 H new ATOM 0 HG22 THR A 93 -2.836 -3.372 -9.563 1.00 53.42 H new ATOM 0 HG23 THR A 93 -3.467 -1.970 -10.461 1.00 53.42 H new ATOM 1557 N PHE A 94 1.495 -1.753 -8.905 1.00 12.22 N ATOM 1558 CA PHE A 94 2.955 -1.525 -8.809 1.00 23.31 C ATOM 1559 C PHE A 94 3.722 -2.865 -8.872 1.00 12.20 C ATOM 1560 O PHE A 94 3.719 -3.626 -7.907 1.00 11.30 O ATOM 1561 CB PHE A 94 3.304 -0.809 -7.468 1.00 72.01 C ATOM 1562 CG PHE A 94 2.650 0.553 -7.253 1.00 63.01 C ATOM 1563 CD1 PHE A 94 3.257 1.719 -7.722 1.00 71.44 C ATOM 1564 CD2 PHE A 94 1.443 0.677 -6.562 1.00 11.41 C ATOM 1565 CE1 PHE A 94 2.681 2.957 -7.502 1.00 64.15 C ATOM 1566 CE2 PHE A 94 0.869 1.915 -6.351 1.00 63.41 C ATOM 1567 CZ PHE A 94 1.488 3.054 -6.821 1.00 34.03 C ATOM 0 H PHE A 94 1.135 -2.366 -8.174 1.00 12.22 H new ATOM 0 HA PHE A 94 3.251 -0.898 -9.650 1.00 23.31 H new ATOM 0 HB2 PHE A 94 3.018 -1.463 -6.644 1.00 72.01 H new ATOM 0 HB3 PHE A 94 4.386 -0.684 -7.415 1.00 72.01 H new ATOM 0 HD1 PHE A 94 4.189 1.654 -8.264 1.00 71.44 H new ATOM 0 HD2 PHE A 94 0.951 -0.208 -6.187 1.00 11.41 H new ATOM 0 HE1 PHE A 94 3.168 3.850 -7.865 1.00 64.15 H new ATOM 0 HE2 PHE A 94 -0.067 1.991 -5.817 1.00 63.41 H new ATOM 0 HZ PHE A 94 1.038 4.021 -6.655 1.00 34.03 H new ATOM 1577 N ASN A 95 4.393 -3.128 -9.997 1.00 74.33 N ATOM 1578 CA ASN A 95 5.315 -4.276 -10.139 1.00 42.11 C ATOM 1579 C ASN A 95 6.750 -3.771 -9.942 1.00 73.22 C ATOM 1580 O ASN A 95 7.026 -2.581 -10.177 1.00 43.12 O ATOM 1581 CB ASN A 95 5.149 -4.958 -11.524 1.00 55.10 C ATOM 1582 CG ASN A 95 3.754 -5.556 -11.733 1.00 51.12 C ATOM 1583 OD1 ASN A 95 3.505 -6.708 -11.382 1.00 33.32 O ATOM 1584 ND2 ASN A 95 2.830 -4.786 -12.302 1.00 45.31 N ATOM 0 H ASN A 95 4.318 -2.556 -10.838 1.00 74.33 H new ATOM 0 HA ASN A 95 5.083 -5.028 -9.385 1.00 42.11 H new ATOM 0 HB2 ASN A 95 5.347 -4.228 -12.309 1.00 55.10 H new ATOM 0 HB3 ASN A 95 5.895 -5.746 -11.627 1.00 55.10 H new ATOM 0 HD21 ASN A 95 1.889 -5.148 -12.456 1.00 45.31 H new ATOM 0 HD22 ASN A 95 3.063 -3.834 -12.584 1.00 45.31 H new