USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 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 76 THR OG1 : rot 72:sc= 1.72 USER MOD Set 1.2: A 92 TYR OH : rot 21:sc= 0.633 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 156:sc= -0.0984 (180deg=-0.588) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -74:sc= 0.186 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0136 F(o=-0.63,f=-0.014) USER MOD Single : A 49 ASN : amide:sc= -0.0543 K(o=-0.054,f=-1) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 56 LYS NZ :NH3+ -137:sc= -0.452 (180deg=-2.41!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 61 SER OG : rot -40:sc= 0.537 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -172:sc=-0.00136 (180deg=-0.0818) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0368) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 83 THR OG1 : rot -46:sc= 0.503 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 86 HIS : no HD1:sc= -0.0725 X(o=-0.073,f=-0.073) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 27:sc= 0.597 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -6.316 8.558 5.716 1.00 62.41 N ATOM 437 CA GLU A 28 -5.970 8.703 4.289 1.00 74.43 C ATOM 438 C GLU A 28 -4.757 9.595 4.109 1.00 75.11 C ATOM 439 O GLU A 28 -3.917 9.305 3.272 1.00 41.14 O ATOM 440 CB GLU A 28 -7.142 9.217 3.427 1.00 51.50 C ATOM 441 CG GLU A 28 -8.190 8.137 3.127 1.00 20.05 C ATOM 442 CD GLU A 28 -9.226 8.582 2.103 1.00 55.42 C ATOM 443 OE1 GLU A 28 -10.333 9.017 2.497 1.00 31.01 O ATOM 444 OE2 GLU A 28 -8.925 8.528 0.886 1.00 33.22 O ATOM 0 HA GLU A 28 -5.733 7.699 3.936 1.00 74.43 H new ATOM 0 HB2 GLU A 28 -7.624 10.050 3.940 1.00 51.50 H new ATOM 0 HB3 GLU A 28 -6.750 9.605 2.487 1.00 51.50 H new ATOM 0 HG2 GLU A 28 -7.687 7.242 2.761 1.00 20.05 H new ATOM 0 HG3 GLU A 28 -8.696 7.863 4.052 1.00 20.05 H new ATOM 451 N ASN A 29 -4.670 10.678 4.897 1.00 62.11 N ATOM 452 CA ASN A 29 -3.487 11.552 4.890 1.00 45.51 C ATOM 453 C ASN A 29 -2.238 10.735 5.208 1.00 21.51 C ATOM 454 O ASN A 29 -1.238 10.841 4.509 1.00 34.40 O ATOM 455 CB ASN A 29 -3.618 12.745 5.888 1.00 71.44 C ATOM 456 CG ASN A 29 -4.563 13.854 5.417 1.00 4.33 C ATOM 457 OD1 ASN A 29 -5.526 13.609 4.698 1.00 22.44 O ATOM 458 ND2 ASN A 29 -4.281 15.089 5.814 1.00 55.43 N ATOM 0 H ASN A 29 -5.402 10.969 5.545 1.00 62.11 H new ATOM 0 HA ASN A 29 -3.405 11.980 3.891 1.00 45.51 H new ATOM 0 HB2 ASN A 29 -3.970 12.365 6.847 1.00 71.44 H new ATOM 0 HB3 ASN A 29 -2.630 13.172 6.058 1.00 71.44 H new ATOM 0 HD21 ASN A 29 -4.873 15.866 5.521 1.00 55.43 H new ATOM 0 HD22 ASN A 29 -3.473 15.260 6.412 1.00 55.43 H new ATOM 465 N GLU A 30 -2.346 9.856 6.217 1.00 71.12 N ATOM 466 CA GLU A 30 -1.194 9.094 6.728 1.00 3.41 C ATOM 467 C GLU A 30 -0.808 7.962 5.752 1.00 3.51 C ATOM 468 O GLU A 30 0.361 7.841 5.383 1.00 3.14 O ATOM 469 CB GLU A 30 -1.472 8.543 8.150 1.00 10.52 C ATOM 470 CG GLU A 30 -1.542 9.610 9.271 1.00 1.21 C ATOM 471 CD GLU A 30 -0.304 10.520 9.345 1.00 64.13 C ATOM 472 OE1 GLU A 30 0.798 10.017 9.652 1.00 20.03 O ATOM 473 OE2 GLU A 30 -0.427 11.747 9.114 1.00 34.51 O ATOM 0 H GLU A 30 -3.223 9.654 6.697 1.00 71.12 H new ATOM 0 HA GLU A 30 -0.346 9.775 6.802 1.00 3.41 H new ATOM 0 HB2 GLU A 30 -2.415 7.996 8.132 1.00 10.52 H new ATOM 0 HB3 GLU A 30 -0.692 7.825 8.403 1.00 10.52 H new ATOM 0 HG2 GLU A 30 -2.426 10.228 9.116 1.00 1.21 H new ATOM 0 HG3 GLU A 30 -1.669 9.107 10.230 1.00 1.21 H new ATOM 480 N LEU A 31 -1.811 7.174 5.303 1.00 53.45 N ATOM 481 CA LEU A 31 -1.575 6.022 4.354 1.00 70.20 C ATOM 482 C LEU A 31 -1.029 6.561 3.022 1.00 45.40 C ATOM 483 O LEU A 31 -0.031 6.047 2.480 1.00 63.33 O ATOM 484 CB LEU A 31 -2.855 5.098 4.152 1.00 51.14 C ATOM 485 CG LEU A 31 -2.722 3.842 3.163 1.00 33.22 C ATOM 486 CD1 LEU A 31 -3.624 2.640 3.566 1.00 25.41 C ATOM 487 CD2 LEU A 31 -3.009 4.186 1.671 1.00 22.52 C ATOM 0 H LEU A 31 -2.788 7.299 5.569 1.00 53.45 H new ATOM 0 HA LEU A 31 -0.830 5.366 4.804 1.00 70.20 H new ATOM 0 HB2 LEU A 31 -3.156 4.723 5.131 1.00 51.14 H new ATOM 0 HB3 LEU A 31 -3.668 5.726 3.788 1.00 51.14 H new ATOM 0 HG LEU A 31 -1.675 3.556 3.265 1.00 33.22 H new ATOM 0 HD11 LEU A 31 -3.484 1.826 2.855 1.00 25.41 H new ATOM 0 HD12 LEU A 31 -3.352 2.300 4.565 1.00 25.41 H new ATOM 0 HD13 LEU A 31 -4.669 2.951 3.561 1.00 25.41 H new ATOM 0 HD21 LEU A 31 -2.900 3.288 1.063 1.00 22.52 H new ATOM 0 HD22 LEU A 31 -4.025 4.568 1.575 1.00 22.52 H new ATOM 0 HD23 LEU A 31 -2.303 4.943 1.330 1.00 22.52 H new ATOM 499 N ARG A 32 -1.637 7.661 2.540 1.00 54.21 N ATOM 500 CA ARG A 32 -1.314 8.232 1.229 1.00 2.23 C ATOM 501 C ARG A 32 0.046 8.971 1.282 1.00 72.54 C ATOM 502 O ARG A 32 0.758 9.035 0.274 1.00 5.15 O ATOM 503 CB ARG A 32 -2.484 9.135 0.742 1.00 72.54 C ATOM 504 CG ARG A 32 -2.388 9.686 -0.692 1.00 2.20 C ATOM 505 CD ARG A 32 -2.090 8.604 -1.751 1.00 23.04 C ATOM 506 NE ARG A 32 -1.776 9.200 -3.057 1.00 21.45 N ATOM 507 CZ ARG A 32 -0.628 9.833 -3.370 1.00 53.24 C ATOM 508 NH1 ARG A 32 0.353 9.973 -2.488 1.00 0.13 N ATOM 509 NH2 ARG A 32 -0.478 10.334 -4.581 1.00 2.51 N ATOM 0 H ARG A 32 -2.360 8.172 3.047 1.00 54.21 H new ATOM 0 HA ARG A 32 -1.202 7.435 0.494 1.00 2.23 H new ATOM 0 HB2 ARG A 32 -3.410 8.565 0.825 1.00 72.54 H new ATOM 0 HB3 ARG A 32 -2.567 9.980 1.425 1.00 72.54 H new ATOM 0 HG2 ARG A 32 -3.325 10.182 -0.945 1.00 2.20 H new ATOM 0 HG3 ARG A 32 -1.606 10.444 -0.729 1.00 2.20 H new ATOM 0 HD2 ARG A 32 -1.253 7.990 -1.419 1.00 23.04 H new ATOM 0 HD3 ARG A 32 -2.951 7.943 -1.849 1.00 23.04 H new ATOM 0 HE ARG A 32 -2.485 9.129 -3.787 1.00 21.45 H new ATOM 0 HH11 ARG A 32 0.249 9.597 -1.546 1.00 0.13 H new ATOM 0 HH12 ARG A 32 1.211 10.457 -2.752 1.00 0.13 H new ATOM 0 HH21 ARG A 32 -1.226 10.240 -5.268 1.00 2.51 H new ATOM 0 HH22 ARG A 32 0.386 10.815 -4.830 1.00 2.51 H new ATOM 523 N SER A 33 0.406 9.493 2.482 1.00 33.25 N ATOM 524 CA SER A 33 1.704 10.167 2.738 1.00 63.34 C ATOM 525 C SER A 33 2.899 9.227 2.472 1.00 13.24 C ATOM 526 O SER A 33 3.790 9.555 1.673 1.00 14.30 O ATOM 527 CB SER A 33 1.769 10.701 4.193 1.00 34.32 C ATOM 528 OG SER A 33 2.961 11.433 4.445 1.00 11.22 O ATOM 0 H SER A 33 -0.199 9.458 3.303 1.00 33.25 H new ATOM 0 HA SER A 33 1.772 11.006 2.046 1.00 63.34 H new ATOM 0 HB2 SER A 33 0.906 11.339 4.382 1.00 34.32 H new ATOM 0 HB3 SER A 33 1.705 9.864 4.888 1.00 34.32 H new ATOM 0 HG SER A 33 2.959 11.752 5.372 1.00 11.22 H new ATOM 534 N MET A 34 2.913 8.049 3.136 1.00 65.12 N ATOM 535 CA MET A 34 3.995 7.065 2.955 1.00 44.50 C ATOM 536 C MET A 34 3.894 6.407 1.562 1.00 61.32 C ATOM 537 O MET A 34 4.918 6.029 0.977 1.00 64.40 O ATOM 538 CB MET A 34 4.012 5.965 4.064 1.00 64.43 C ATOM 539 CG MET A 34 4.293 6.425 5.524 1.00 15.52 C ATOM 540 SD MET A 34 2.796 6.809 6.454 1.00 53.11 S ATOM 541 CE MET A 34 2.054 5.176 6.599 1.00 33.13 C ATOM 0 H MET A 34 2.191 7.761 3.797 1.00 65.12 H new ATOM 0 HA MET A 34 4.932 7.615 3.038 1.00 44.50 H new ATOM 0 HB2 MET A 34 3.047 5.458 4.050 1.00 64.43 H new ATOM 0 HB3 MET A 34 4.765 5.225 3.793 1.00 64.43 H new ATOM 0 HG2 MET A 34 4.844 5.642 6.044 1.00 15.52 H new ATOM 0 HG3 MET A 34 4.935 7.306 5.503 1.00 15.52 H new ATOM 0 HE1 MET A 34 1.392 5.153 7.465 1.00 33.13 H new ATOM 0 HE2 MET A 34 1.481 4.955 5.698 1.00 33.13 H new ATOM 0 HE3 MET A 34 2.839 4.429 6.722 1.00 33.13 H new ATOM 551 N LEU A 35 2.660 6.287 1.023 1.00 14.12 N ATOM 552 CA LEU A 35 2.456 5.711 -0.334 1.00 51.25 C ATOM 553 C LEU A 35 3.098 6.630 -1.393 1.00 72.11 C ATOM 554 O LEU A 35 3.641 6.147 -2.382 1.00 54.13 O ATOM 555 CB LEU A 35 0.941 5.432 -0.637 1.00 30.25 C ATOM 556 CG LEU A 35 0.574 4.567 -1.909 1.00 34.43 C ATOM 557 CD1 LEU A 35 -0.717 3.760 -1.686 1.00 70.34 C ATOM 558 CD2 LEU A 35 0.419 5.442 -3.169 1.00 22.15 C ATOM 0 H LEU A 35 1.802 6.574 1.493 1.00 14.12 H new ATOM 0 HA LEU A 35 2.952 4.741 -0.373 1.00 51.25 H new ATOM 0 HB2 LEU A 35 0.514 4.937 0.235 1.00 30.25 H new ATOM 0 HB3 LEU A 35 0.439 6.395 -0.735 1.00 30.25 H new ATOM 0 HG LEU A 35 1.403 3.876 -2.064 1.00 34.43 H new ATOM 0 HD11 LEU A 35 -0.940 3.177 -2.579 1.00 70.34 H new ATOM 0 HD12 LEU A 35 -0.584 3.088 -0.838 1.00 70.34 H new ATOM 0 HD13 LEU A 35 -1.542 4.443 -1.483 1.00 70.34 H new ATOM 0 HD21 LEU A 35 0.167 4.811 -4.021 1.00 22.15 H new ATOM 0 HD22 LEU A 35 -0.375 6.171 -3.010 1.00 22.15 H new ATOM 0 HD23 LEU A 35 1.356 5.963 -3.368 1.00 22.15 H new ATOM 570 N ALA A 36 3.060 7.955 -1.135 1.00 73.03 N ATOM 571 CA ALA A 36 3.703 8.972 -1.991 1.00 72.52 C ATOM 572 C ALA A 36 5.209 8.737 -2.086 1.00 35.31 C ATOM 573 O ALA A 36 5.777 8.720 -3.189 1.00 55.34 O ATOM 574 CB ALA A 36 3.442 10.378 -1.453 1.00 1.14 C ATOM 0 H ALA A 36 2.581 8.349 -0.325 1.00 73.03 H new ATOM 0 HA ALA A 36 3.268 8.883 -2.987 1.00 72.52 H new ATOM 0 HB1 ALA A 36 3.925 11.110 -2.100 1.00 1.14 H new ATOM 0 HB2 ALA A 36 2.369 10.566 -1.431 1.00 1.14 H new ATOM 0 HB3 ALA A 36 3.846 10.462 -0.444 1.00 1.14 H new ATOM 580 N THR A 37 5.837 8.557 -0.909 1.00 33.04 N ATOM 581 CA THR A 37 7.265 8.240 -0.799 1.00 13.22 C ATOM 582 C THR A 37 7.600 6.984 -1.622 1.00 32.34 C ATOM 583 O THR A 37 8.538 6.987 -2.416 1.00 22.50 O ATOM 584 CB THR A 37 7.670 8.031 0.704 1.00 0.52 C ATOM 585 OG1 THR A 37 7.321 9.195 1.472 1.00 54.31 O ATOM 586 CG2 THR A 37 9.166 7.726 0.894 1.00 10.34 C ATOM 0 H THR A 37 5.364 8.628 -0.008 1.00 33.04 H new ATOM 0 HA THR A 37 7.835 9.080 -1.196 1.00 13.22 H new ATOM 0 HB THR A 37 7.118 7.159 1.054 1.00 0.52 H new ATOM 0 HG1 THR A 37 7.575 9.057 2.408 1.00 54.31 H new ATOM 0 HG21 THR A 37 9.378 7.593 1.955 1.00 10.34 H new ATOM 0 HG22 THR A 37 9.423 6.814 0.355 1.00 10.34 H new ATOM 0 HG23 THR A 37 9.758 8.555 0.507 1.00 10.34 H new ATOM 594 N ALA A 38 6.768 5.945 -1.467 1.00 15.51 N ATOM 595 CA ALA A 38 6.947 4.655 -2.150 1.00 24.11 C ATOM 596 C ALA A 38 6.771 4.755 -3.689 1.00 63.21 C ATOM 597 O ALA A 38 7.431 4.018 -4.424 1.00 53.03 O ATOM 598 CB ALA A 38 6.012 3.618 -1.537 1.00 44.02 C ATOM 0 H ALA A 38 5.948 5.975 -0.862 1.00 15.51 H new ATOM 0 HA ALA A 38 7.978 4.337 -1.998 1.00 24.11 H new ATOM 0 HB1 ALA A 38 6.146 2.663 -2.044 1.00 44.02 H new ATOM 0 HB2 ALA A 38 6.242 3.502 -0.478 1.00 44.02 H new ATOM 0 HB3 ALA A 38 4.979 3.947 -1.650 1.00 44.02 H new ATOM 604 N LEU A 39 5.907 5.686 -4.174 1.00 54.04 N ATOM 605 CA LEU A 39 5.746 5.950 -5.638 1.00 12.05 C ATOM 606 C LEU A 39 7.024 6.616 -6.200 1.00 23.32 C ATOM 607 O LEU A 39 7.349 6.468 -7.384 1.00 1.42 O ATOM 608 CB LEU A 39 4.523 6.880 -5.955 1.00 14.15 C ATOM 609 CG LEU A 39 3.078 6.435 -5.529 1.00 4.12 C ATOM 610 CD1 LEU A 39 2.079 7.602 -5.704 1.00 35.00 C ATOM 611 CD2 LEU A 39 2.582 5.173 -6.281 1.00 63.42 C ATOM 0 H LEU A 39 5.313 6.265 -3.581 1.00 54.04 H new ATOM 0 HA LEU A 39 5.570 4.983 -6.110 1.00 12.05 H new ATOM 0 HB2 LEU A 39 4.718 7.845 -5.488 1.00 14.15 H new ATOM 0 HB3 LEU A 39 4.509 7.044 -7.032 1.00 14.15 H new ATOM 0 HG LEU A 39 3.134 6.163 -4.475 1.00 4.12 H new ATOM 0 HD11 LEU A 39 1.083 7.276 -5.404 1.00 35.00 H new ATOM 0 HD12 LEU A 39 2.388 8.442 -5.082 1.00 35.00 H new ATOM 0 HD13 LEU A 39 2.060 7.911 -6.749 1.00 35.00 H new ATOM 0 HD21 LEU A 39 1.578 4.918 -5.941 1.00 63.42 H new ATOM 0 HD22 LEU A 39 2.563 5.372 -7.353 1.00 63.42 H new ATOM 0 HD23 LEU A 39 3.256 4.341 -6.079 1.00 63.42 H new ATOM 623 N GLU A 40 7.718 7.372 -5.343 1.00 23.44 N ATOM 624 CA GLU A 40 8.997 8.026 -5.687 1.00 13.45 C ATOM 625 C GLU A 40 10.177 7.049 -5.506 1.00 14.41 C ATOM 626 O GLU A 40 11.213 7.194 -6.161 1.00 53.12 O ATOM 627 CB GLU A 40 9.195 9.292 -4.815 1.00 74.45 C ATOM 628 CG GLU A 40 8.109 10.373 -4.997 1.00 44.50 C ATOM 629 CD GLU A 40 8.212 11.500 -3.958 1.00 64.42 C ATOM 630 OE1 GLU A 40 7.600 11.380 -2.872 1.00 55.21 O ATOM 631 OE2 GLU A 40 8.923 12.500 -4.207 1.00 11.23 O ATOM 0 H GLU A 40 7.412 7.552 -4.387 1.00 23.44 H new ATOM 0 HA GLU A 40 8.966 8.324 -6.735 1.00 13.45 H new ATOM 0 HB2 GLU A 40 9.221 8.995 -3.767 1.00 74.45 H new ATOM 0 HB3 GLU A 40 10.166 9.729 -5.047 1.00 74.45 H new ATOM 0 HG2 GLU A 40 8.190 10.798 -5.997 1.00 44.50 H new ATOM 0 HG3 GLU A 40 7.125 9.909 -4.927 1.00 44.50 H new ATOM 638 N LYS A 41 10.004 6.056 -4.620 1.00 1.25 N ATOM 639 CA LYS A 41 11.017 5.018 -4.355 1.00 31.25 C ATOM 640 C LYS A 41 10.952 3.926 -5.425 1.00 74.54 C ATOM 641 O LYS A 41 9.903 3.714 -6.039 1.00 61.21 O ATOM 642 CB LYS A 41 10.816 4.393 -2.943 1.00 65.10 C ATOM 643 CG LYS A 41 11.121 5.336 -1.760 1.00 11.35 C ATOM 644 CD LYS A 41 12.619 5.803 -1.763 1.00 11.12 C ATOM 645 CE LYS A 41 13.079 6.812 -0.664 1.00 52.34 C ATOM 646 NZ LYS A 41 14.532 7.106 -0.832 1.00 22.05 N ATOM 0 H LYS A 41 9.155 5.948 -4.064 1.00 1.25 H new ATOM 0 HA LYS A 41 12.000 5.488 -4.387 1.00 31.25 H new ATOM 0 HB2 LYS A 41 9.785 4.050 -2.858 1.00 65.10 H new ATOM 0 HB3 LYS A 41 11.452 3.512 -2.859 1.00 65.10 H new ATOM 0 HG2 LYS A 41 10.468 6.207 -1.811 1.00 11.35 H new ATOM 0 HG3 LYS A 41 10.900 4.827 -0.822 1.00 11.35 H new ATOM 0 HD2 LYS A 41 13.245 4.914 -1.682 1.00 11.12 H new ATOM 0 HD3 LYS A 41 12.826 6.252 -2.735 1.00 11.12 H new ATOM 0 HE2 LYS A 41 12.500 7.733 -0.736 1.00 52.34 H new ATOM 0 HE3 LYS A 41 12.894 6.396 0.326 1.00 52.34 H new ATOM 0 HZ1 LYS A 41 14.837 7.778 -0.099 1.00 22.05 H new ATOM 0 HZ2 LYS A 41 15.077 6.225 -0.742 1.00 22.05 H new ATOM 0 HZ3 LYS A 41 14.696 7.520 -1.772 1.00 22.05 H new ATOM 660 N ASP A 42 12.087 3.239 -5.638 1.00 12.43 N ATOM 661 CA ASP A 42 12.174 2.119 -6.588 1.00 31.04 C ATOM 662 C ASP A 42 11.449 0.893 -6.005 1.00 5.44 C ATOM 663 O ASP A 42 12.050 0.081 -5.287 1.00 14.41 O ATOM 664 CB ASP A 42 13.657 1.791 -6.921 1.00 42.33 C ATOM 665 CG ASP A 42 14.405 2.981 -7.548 1.00 60.22 C ATOM 666 OD1 ASP A 42 15.188 3.653 -6.843 1.00 64.30 O ATOM 667 OD2 ASP A 42 14.186 3.264 -8.745 1.00 22.42 O ATOM 0 H ASP A 42 12.964 3.443 -5.159 1.00 12.43 H new ATOM 0 HA ASP A 42 11.686 2.402 -7.521 1.00 31.04 H new ATOM 0 HB2 ASP A 42 14.170 1.485 -6.009 1.00 42.33 H new ATOM 0 HB3 ASP A 42 13.692 0.944 -7.606 1.00 42.33 H new ATOM 672 N ILE A 43 10.137 0.828 -6.242 1.00 74.20 N ATOM 673 CA ILE A 43 9.296 -0.333 -5.905 1.00 61.40 C ATOM 674 C ILE A 43 9.148 -1.213 -7.164 1.00 60.15 C ATOM 675 O ILE A 43 9.050 -0.689 -8.281 1.00 22.44 O ATOM 676 CB ILE A 43 7.883 0.105 -5.339 1.00 32.34 C ATOM 677 CG1 ILE A 43 7.153 1.099 -6.312 1.00 70.14 C ATOM 678 CG2 ILE A 43 8.029 0.699 -3.917 1.00 62.43 C ATOM 679 CD1 ILE A 43 5.813 1.641 -5.828 1.00 24.21 C ATOM 0 H ILE A 43 9.617 1.589 -6.679 1.00 74.20 H new ATOM 0 HA ILE A 43 9.777 -0.904 -5.111 1.00 61.40 H new ATOM 0 HB ILE A 43 7.256 -0.784 -5.269 1.00 32.34 H new ATOM 0 HG12 ILE A 43 7.816 1.942 -6.503 1.00 70.14 H new ATOM 0 HG13 ILE A 43 6.996 0.594 -7.265 1.00 70.14 H new ATOM 0 HG21 ILE A 43 7.048 0.995 -3.544 1.00 62.43 H new ATOM 0 HG22 ILE A 43 8.460 -0.050 -3.252 1.00 62.43 H new ATOM 0 HG23 ILE A 43 8.682 1.571 -3.952 1.00 62.43 H new ATOM 0 HD11 ILE A 43 5.401 2.316 -6.578 1.00 24.21 H new ATOM 0 HD12 ILE A 43 5.123 0.813 -5.666 1.00 24.21 H new ATOM 0 HD13 ILE A 43 5.956 2.182 -4.893 1.00 24.21 H new ATOM 691 N SER A 44 9.161 -2.544 -6.979 1.00 33.12 N ATOM 692 CA SER A 44 9.089 -3.529 -8.100 1.00 30.05 C ATOM 693 C SER A 44 7.730 -3.422 -8.826 1.00 50.14 C ATOM 694 O SER A 44 6.756 -2.975 -8.212 1.00 32.01 O ATOM 695 CB SER A 44 9.326 -4.969 -7.557 1.00 11.51 C ATOM 696 OG SER A 44 8.363 -5.326 -6.581 1.00 24.02 O ATOM 0 H SER A 44 9.221 -2.977 -6.058 1.00 33.12 H new ATOM 0 HA SER A 44 9.872 -3.303 -8.824 1.00 30.05 H new ATOM 0 HB2 SER A 44 9.288 -5.680 -8.382 1.00 11.51 H new ATOM 0 HB3 SER A 44 10.324 -5.035 -7.124 1.00 11.51 H new ATOM 0 HG SER A 44 8.552 -4.850 -5.746 1.00 24.02 H new ATOM 702 N GLN A 45 7.685 -3.805 -10.128 1.00 31.44 N ATOM 703 CA GLN A 45 6.460 -3.838 -10.962 1.00 3.34 C ATOM 704 C GLN A 45 5.191 -4.331 -10.189 1.00 71.34 C ATOM 705 O GLN A 45 4.116 -3.749 -10.340 1.00 41.31 O ATOM 706 CB GLN A 45 6.742 -4.722 -12.208 1.00 53.44 C ATOM 707 CG GLN A 45 5.666 -4.687 -13.309 1.00 65.12 C ATOM 708 CD GLN A 45 5.860 -5.743 -14.410 1.00 73.15 C ATOM 709 OE1 GLN A 45 6.329 -6.928 -14.041 1.00 30.24 O flip ATOM 710 NE2 GLN A 45 5.547 -5.511 -15.577 1.00 2.03 N flip ATOM 0 H GLN A 45 8.517 -4.105 -10.636 1.00 31.44 H new ATOM 0 HA GLN A 45 6.226 -2.817 -11.263 1.00 3.34 H new ATOM 0 HB2 GLN A 45 7.692 -4.411 -12.644 1.00 53.44 H new ATOM 0 HB3 GLN A 45 6.865 -5.754 -11.878 1.00 53.44 H new ATOM 0 HG2 GLN A 45 4.688 -4.831 -12.851 1.00 65.12 H new ATOM 0 HG3 GLN A 45 5.661 -3.698 -13.766 1.00 65.12 H new ATOM 0 HE21 GLN A 45 5.189 -4.592 -15.836 1.00 2.03 H new ATOM 0 HE22 GLN A 45 5.646 -6.238 -16.286 1.00 2.03 H new ATOM 719 N GLU A 46 5.369 -5.316 -9.277 1.00 60.42 N ATOM 720 CA GLU A 46 4.254 -5.961 -8.540 1.00 20.44 C ATOM 721 C GLU A 46 3.777 -5.090 -7.365 1.00 73.12 C ATOM 722 O GLU A 46 2.573 -4.972 -7.125 1.00 3.51 O ATOM 723 CB GLU A 46 4.661 -7.365 -8.011 1.00 74.44 C ATOM 724 CG GLU A 46 5.041 -8.405 -9.091 1.00 54.11 C ATOM 725 CD GLU A 46 6.304 -8.057 -9.893 1.00 23.22 C ATOM 726 OE1 GLU A 46 6.244 -7.970 -11.141 1.00 12.31 O ATOM 727 OE2 GLU A 46 7.370 -7.853 -9.267 1.00 63.04 O ATOM 0 H GLU A 46 6.287 -5.686 -9.031 1.00 60.42 H new ATOM 0 HA GLU A 46 3.434 -6.075 -9.249 1.00 20.44 H new ATOM 0 HB2 GLU A 46 5.507 -7.246 -7.334 1.00 74.44 H new ATOM 0 HB3 GLU A 46 3.835 -7.765 -7.423 1.00 74.44 H new ATOM 0 HG2 GLU A 46 5.186 -9.373 -8.611 1.00 54.11 H new ATOM 0 HG3 GLU A 46 4.205 -8.514 -9.782 1.00 54.11 H new ATOM 734 N GLU A 47 4.728 -4.469 -6.642 1.00 5.01 N ATOM 735 CA GLU A 47 4.410 -3.588 -5.492 1.00 22.20 C ATOM 736 C GLU A 47 3.776 -2.288 -6.012 1.00 31.42 C ATOM 737 O GLU A 47 2.884 -1.705 -5.372 1.00 72.54 O ATOM 738 CB GLU A 47 5.691 -3.255 -4.675 1.00 41.14 C ATOM 739 CG GLU A 47 6.454 -4.452 -4.088 1.00 24.02 C ATOM 740 CD GLU A 47 7.743 -4.005 -3.393 1.00 73.21 C ATOM 741 OE1 GLU A 47 8.736 -3.729 -4.101 1.00 43.20 O ATOM 742 OE2 GLU A 47 7.768 -3.919 -2.146 1.00 63.24 O ATOM 0 H GLU A 47 5.726 -4.559 -6.831 1.00 5.01 H new ATOM 0 HA GLU A 47 3.712 -4.108 -4.836 1.00 22.20 H new ATOM 0 HB2 GLU A 47 6.372 -2.697 -5.318 1.00 41.14 H new ATOM 0 HB3 GLU A 47 5.412 -2.592 -3.856 1.00 41.14 H new ATOM 0 HG2 GLU A 47 5.818 -4.977 -3.376 1.00 24.02 H new ATOM 0 HG3 GLU A 47 6.693 -5.158 -4.883 1.00 24.02 H new ATOM 749 N ARG A 48 4.241 -1.869 -7.200 1.00 55.33 N ATOM 750 CA ARG A 48 3.726 -0.696 -7.903 1.00 54.44 C ATOM 751 C ARG A 48 2.269 -0.946 -8.318 1.00 51.15 C ATOM 752 O ARG A 48 1.419 -0.075 -8.158 1.00 4.13 O ATOM 753 CB ARG A 48 4.632 -0.356 -9.112 1.00 51.41 C ATOM 754 CG ARG A 48 4.415 1.052 -9.706 1.00 41.15 C ATOM 755 CD ARG A 48 5.406 1.360 -10.843 1.00 61.23 C ATOM 756 NE ARG A 48 5.330 0.377 -11.947 1.00 14.33 N ATOM 757 CZ ARG A 48 6.385 -0.260 -12.502 1.00 4.25 C ATOM 758 NH1 ARG A 48 7.630 -0.030 -12.074 1.00 74.43 N ATOM 759 NH2 ARG A 48 6.184 -1.139 -13.466 1.00 2.01 N ATOM 0 H ARG A 48 4.993 -2.344 -7.700 1.00 55.33 H new ATOM 0 HA ARG A 48 3.739 0.170 -7.241 1.00 54.44 H new ATOM 0 HB2 ARG A 48 5.674 -0.449 -8.805 1.00 51.41 H new ATOM 0 HB3 ARG A 48 4.463 -1.096 -9.895 1.00 51.41 H new ATOM 0 HG2 ARG A 48 3.395 1.133 -10.083 1.00 41.15 H new ATOM 0 HG3 ARG A 48 4.524 1.798 -8.919 1.00 41.15 H new ATOM 0 HD2 ARG A 48 5.205 2.357 -11.235 1.00 61.23 H new ATOM 0 HD3 ARG A 48 6.420 1.373 -10.443 1.00 61.23 H new ATOM 0 HE ARG A 48 4.405 0.163 -12.320 1.00 14.33 H new ATOM 0 HH11 ARG A 48 7.795 0.634 -11.318 1.00 74.43 H new ATOM 0 HH12 ARG A 48 8.415 -0.519 -12.503 1.00 74.43 H new ATOM 0 HH21 ARG A 48 5.236 -1.335 -13.788 1.00 2.01 H new ATOM 0 HH22 ARG A 48 6.976 -1.623 -13.888 1.00 2.01 H new ATOM 773 N ASN A 49 1.997 -2.170 -8.817 1.00 73.32 N ATOM 774 CA ASN A 49 0.624 -2.652 -9.091 1.00 33.14 C ATOM 775 C ASN A 49 -0.270 -2.529 -7.837 1.00 51.40 C ATOM 776 O ASN A 49 -1.358 -1.958 -7.909 1.00 1.42 O ATOM 777 CB ASN A 49 0.644 -4.123 -9.604 1.00 50.31 C ATOM 778 CG ASN A 49 1.052 -4.274 -11.082 1.00 55.24 C ATOM 779 OD1 ASN A 49 1.742 -3.429 -11.646 1.00 72.33 O ATOM 780 ND2 ASN A 49 0.632 -5.368 -11.716 1.00 15.20 N ATOM 0 H ASN A 49 2.721 -2.852 -9.042 1.00 73.32 H new ATOM 0 HA ASN A 49 0.201 -2.021 -9.872 1.00 33.14 H new ATOM 0 HB2 ASN A 49 1.333 -4.701 -8.988 1.00 50.31 H new ATOM 0 HB3 ASN A 49 -0.346 -4.557 -9.467 1.00 50.31 H new ATOM 0 HD21 ASN A 49 0.883 -5.519 -12.693 1.00 15.20 H new ATOM 0 HD22 ASN A 49 0.060 -6.054 -11.224 1.00 15.20 H new ATOM 787 N ALA A 50 0.228 -3.026 -6.691 1.00 64.53 N ATOM 788 CA ALA A 50 -0.526 -3.052 -5.418 1.00 71.41 C ATOM 789 C ALA A 50 -0.939 -1.641 -4.940 1.00 11.40 C ATOM 790 O ALA A 50 -2.097 -1.425 -4.548 1.00 21.51 O ATOM 791 CB ALA A 50 0.302 -3.760 -4.341 1.00 45.24 C ATOM 0 H ALA A 50 1.165 -3.422 -6.618 1.00 64.53 H new ATOM 0 HA ALA A 50 -1.449 -3.604 -5.597 1.00 71.41 H new ATOM 0 HB1 ALA A 50 -0.257 -3.777 -3.405 1.00 45.24 H new ATOM 0 HB2 ALA A 50 0.512 -4.782 -4.657 1.00 45.24 H new ATOM 0 HB3 ALA A 50 1.240 -3.226 -4.194 1.00 45.24 H new ATOM 797 N LEU A 51 0.009 -0.687 -4.980 1.00 72.41 N ATOM 798 CA LEU A 51 -0.228 0.698 -4.500 1.00 54.31 C ATOM 799 C LEU A 51 -1.049 1.528 -5.523 1.00 63.04 C ATOM 800 O LEU A 51 -1.739 2.483 -5.139 1.00 45.12 O ATOM 801 CB LEU A 51 1.115 1.414 -4.148 1.00 52.20 C ATOM 802 CG LEU A 51 2.097 0.721 -3.124 1.00 34.24 C ATOM 803 CD1 LEU A 51 3.316 1.630 -2.838 1.00 31.22 C ATOM 804 CD2 LEU A 51 1.413 0.318 -1.793 1.00 45.32 C ATOM 0 H LEU A 51 0.950 -0.845 -5.340 1.00 72.41 H new ATOM 0 HA LEU A 51 -0.819 0.625 -3.587 1.00 54.31 H new ATOM 0 HB2 LEU A 51 1.662 1.567 -5.078 1.00 52.20 H new ATOM 0 HB3 LEU A 51 0.871 2.401 -3.756 1.00 52.20 H new ATOM 0 HG LEU A 51 2.429 -0.202 -3.600 1.00 34.24 H new ATOM 0 HD11 LEU A 51 3.981 1.135 -2.130 1.00 31.22 H new ATOM 0 HD12 LEU A 51 3.853 1.822 -3.767 1.00 31.22 H new ATOM 0 HD13 LEU A 51 2.974 2.575 -2.415 1.00 31.22 H new ATOM 0 HD21 LEU A 51 2.144 -0.152 -1.136 1.00 45.32 H new ATOM 0 HD22 LEU A 51 1.008 1.206 -1.308 1.00 45.32 H new ATOM 0 HD23 LEU A 51 0.605 -0.384 -1.997 1.00 45.32 H new ATOM 816 N ASN A 52 -0.972 1.160 -6.812 1.00 72.32 N ATOM 817 CA ASN A 52 -1.853 1.735 -7.859 1.00 51.14 C ATOM 818 C ASN A 52 -3.314 1.274 -7.652 1.00 75.50 C ATOM 819 O ASN A 52 -4.259 2.066 -7.788 1.00 13.43 O ATOM 820 CB ASN A 52 -1.350 1.373 -9.283 1.00 42.15 C ATOM 821 CG ASN A 52 -0.110 2.168 -9.727 1.00 41.24 C ATOM 822 OD1 ASN A 52 0.735 2.550 -8.914 1.00 14.35 O ATOM 823 ND2 ASN A 52 0.003 2.427 -11.027 1.00 44.54 N ATOM 0 H ASN A 52 -0.310 0.467 -7.161 1.00 72.32 H new ATOM 0 HA ASN A 52 -1.820 2.821 -7.767 1.00 51.14 H new ATOM 0 HB2 ASN A 52 -1.118 0.308 -9.316 1.00 42.15 H new ATOM 0 HB3 ASN A 52 -2.155 1.546 -9.997 1.00 42.15 H new ATOM 0 HD21 ASN A 52 0.804 2.954 -11.374 1.00 44.54 H new ATOM 0 HD22 ASN A 52 -0.712 2.098 -11.676 1.00 44.54 H new ATOM 830 N ILE A 53 -3.477 -0.012 -7.271 1.00 53.32 N ATOM 831 CA ILE A 53 -4.797 -0.606 -6.960 1.00 12.14 C ATOM 832 C ILE A 53 -5.345 0.038 -5.676 1.00 34.41 C ATOM 833 O ILE A 53 -6.553 0.225 -5.531 1.00 75.21 O ATOM 834 CB ILE A 53 -4.726 -2.179 -6.802 1.00 51.34 C ATOM 835 CG1 ILE A 53 -4.310 -2.862 -8.144 1.00 52.11 C ATOM 836 CG2 ILE A 53 -6.066 -2.776 -6.284 1.00 42.32 C ATOM 837 CD1 ILE A 53 -4.038 -4.352 -8.038 1.00 73.04 C ATOM 0 H ILE A 53 -2.701 -0.666 -7.170 1.00 53.32 H new ATOM 0 HA ILE A 53 -5.466 -0.405 -7.797 1.00 12.14 H new ATOM 0 HB ILE A 53 -3.961 -2.386 -6.054 1.00 51.34 H new ATOM 0 HG12 ILE A 53 -5.100 -2.702 -8.878 1.00 52.11 H new ATOM 0 HG13 ILE A 53 -3.416 -2.369 -8.525 1.00 52.11 H new ATOM 0 HG21 ILE A 53 -5.970 -3.858 -6.191 1.00 42.32 H new ATOM 0 HG22 ILE A 53 -6.303 -2.348 -5.310 1.00 42.32 H new ATOM 0 HG23 ILE A 53 -6.865 -2.541 -6.987 1.00 42.32 H new ATOM 0 HD11 ILE A 53 -3.756 -4.741 -9.016 1.00 73.04 H new ATOM 0 HD12 ILE A 53 -3.226 -4.524 -7.331 1.00 73.04 H new ATOM 0 HD13 ILE A 53 -4.936 -4.862 -7.690 1.00 73.04 H new ATOM 849 N ALA A 54 -4.426 0.391 -4.764 1.00 40.10 N ATOM 850 CA ALA A 54 -4.768 1.093 -3.519 1.00 51.31 C ATOM 851 C ALA A 54 -5.391 2.473 -3.820 1.00 73.14 C ATOM 852 O ALA A 54 -6.569 2.694 -3.528 1.00 72.33 O ATOM 853 CB ALA A 54 -3.535 1.231 -2.605 1.00 61.31 C ATOM 0 H ALA A 54 -3.430 0.199 -4.869 1.00 40.10 H new ATOM 0 HA ALA A 54 -5.510 0.496 -2.989 1.00 51.31 H new ATOM 0 HB1 ALA A 54 -3.816 1.754 -1.691 1.00 61.31 H new ATOM 0 HB2 ALA A 54 -3.155 0.241 -2.354 1.00 61.31 H new ATOM 0 HB3 ALA A 54 -2.760 1.796 -3.123 1.00 61.31 H new ATOM 859 N GLU A 55 -4.616 3.349 -4.502 1.00 34.40 N ATOM 860 CA GLU A 55 -4.961 4.783 -4.670 1.00 40.01 C ATOM 861 C GLU A 55 -6.171 4.995 -5.606 1.00 1.53 C ATOM 862 O GLU A 55 -7.092 5.774 -5.277 1.00 63.02 O ATOM 863 CB GLU A 55 -3.724 5.577 -5.179 1.00 62.12 C ATOM 864 CG GLU A 55 -4.011 7.043 -5.609 1.00 63.44 C ATOM 865 CD GLU A 55 -2.799 7.774 -6.215 1.00 41.35 C ATOM 866 OE1 GLU A 55 -2.068 7.165 -7.020 1.00 33.34 O ATOM 867 OE2 GLU A 55 -2.606 8.974 -5.937 1.00 51.22 O ATOM 0 H GLU A 55 -3.738 3.085 -4.950 1.00 34.40 H new ATOM 0 HA GLU A 55 -5.252 5.163 -3.691 1.00 40.01 H new ATOM 0 HB2 GLU A 55 -2.970 5.587 -4.392 1.00 62.12 H new ATOM 0 HB3 GLU A 55 -3.294 5.044 -6.027 1.00 62.12 H new ATOM 0 HG2 GLU A 55 -4.822 7.044 -6.337 1.00 63.44 H new ATOM 0 HG3 GLU A 55 -4.361 7.602 -4.741 1.00 63.44 H new ATOM 874 N LYS A 56 -6.180 4.295 -6.760 1.00 23.41 N ATOM 875 CA LYS A 56 -7.252 4.438 -7.758 1.00 4.12 C ATOM 876 C LYS A 56 -8.604 3.959 -7.178 1.00 61.24 C ATOM 877 O LYS A 56 -9.668 4.516 -7.496 1.00 20.45 O ATOM 878 CB LYS A 56 -6.893 3.699 -9.066 1.00 62.34 C ATOM 879 CG LYS A 56 -7.965 3.798 -10.183 1.00 53.21 C ATOM 880 CD LYS A 56 -7.525 3.236 -11.569 1.00 24.53 C ATOM 881 CE LYS A 56 -7.347 1.701 -11.616 1.00 3.10 C ATOM 882 NZ LYS A 56 -6.170 1.218 -10.848 1.00 40.20 N ATOM 0 H LYS A 56 -5.455 3.626 -7.020 1.00 23.41 H new ATOM 0 HA LYS A 56 -7.356 5.495 -8.004 1.00 4.12 H new ATOM 0 HB2 LYS A 56 -5.953 4.099 -9.447 1.00 62.34 H new ATOM 0 HB3 LYS A 56 -6.722 2.647 -8.838 1.00 62.34 H new ATOM 0 HG2 LYS A 56 -8.858 3.264 -9.858 1.00 53.21 H new ATOM 0 HG3 LYS A 56 -8.246 4.844 -10.304 1.00 53.21 H new ATOM 0 HD2 LYS A 56 -8.265 3.525 -12.315 1.00 24.53 H new ATOM 0 HD3 LYS A 56 -6.584 3.706 -11.855 1.00 24.53 H new ATOM 0 HE2 LYS A 56 -8.247 1.227 -11.224 1.00 3.10 H new ATOM 0 HE3 LYS A 56 -7.247 1.386 -12.655 1.00 3.10 H new ATOM 0 HZ1 LYS A 56 -5.670 0.491 -11.399 1.00 40.20 H new ATOM 0 HZ2 LYS A 56 -5.527 2.014 -10.661 1.00 40.20 H new ATOM 0 HZ3 LYS A 56 -6.488 0.810 -9.946 1.00 40.20 H new ATOM 896 N ALA A 57 -8.537 2.952 -6.282 1.00 63.20 N ATOM 897 CA ALA A 57 -9.715 2.423 -5.581 1.00 5.12 C ATOM 898 C ALA A 57 -10.142 3.334 -4.408 1.00 52.14 C ATOM 899 O ALA A 57 -11.345 3.387 -4.082 1.00 40.42 O ATOM 900 CB ALA A 57 -9.449 0.996 -5.110 1.00 65.51 C ATOM 0 H ALA A 57 -7.665 2.487 -6.028 1.00 63.20 H new ATOM 0 HA ALA A 57 -10.548 2.406 -6.284 1.00 5.12 H new ATOM 0 HB1 ALA A 57 -10.329 0.614 -4.592 1.00 65.51 H new ATOM 0 HB2 ALA A 57 -9.232 0.363 -5.971 1.00 65.51 H new ATOM 0 HB3 ALA A 57 -8.597 0.990 -4.431 1.00 65.51 H new ATOM 906 N LEU A 58 -9.165 4.047 -3.756 1.00 35.03 N ATOM 907 CA LEU A 58 -9.488 5.057 -2.703 1.00 22.20 C ATOM 908 C LEU A 58 -10.405 6.117 -3.333 1.00 21.51 C ATOM 909 O LEU A 58 -11.425 6.504 -2.751 1.00 40.24 O ATOM 910 CB LEU A 58 -8.227 5.809 -2.110 1.00 30.42 C ATOM 911 CG LEU A 58 -6.988 5.001 -1.462 1.00 73.15 C ATOM 912 CD1 LEU A 58 -5.798 5.925 -0.987 1.00 63.43 C ATOM 913 CD2 LEU A 58 -7.360 4.022 -0.304 1.00 52.32 C ATOM 0 H LEU A 58 -8.168 3.940 -3.941 1.00 35.03 H new ATOM 0 HA LEU A 58 -9.951 4.513 -1.879 1.00 22.20 H new ATOM 0 HB2 LEU A 58 -7.819 6.424 -2.912 1.00 30.42 H new ATOM 0 HB3 LEU A 58 -8.596 6.490 -1.343 1.00 30.42 H new ATOM 0 HG LEU A 58 -6.656 4.397 -2.307 1.00 73.15 H new ATOM 0 HD11 LEU A 58 -5.005 5.308 -0.564 1.00 63.43 H new ATOM 0 HD12 LEU A 58 -5.408 6.483 -1.838 1.00 63.43 H new ATOM 0 HD13 LEU A 58 -6.158 6.622 -0.231 1.00 63.43 H new ATOM 0 HD21 LEU A 58 -6.458 3.530 0.061 1.00 52.32 H new ATOM 0 HD22 LEU A 58 -7.823 4.580 0.510 1.00 52.32 H new ATOM 0 HD23 LEU A 58 -8.059 3.271 -0.673 1.00 52.32 H new ATOM 925 N ASP A 59 -10.018 6.539 -4.552 1.00 3.41 N ATOM 926 CA ASP A 59 -10.759 7.538 -5.343 1.00 1.14 C ATOM 927 C ASP A 59 -12.160 7.025 -5.725 1.00 73.03 C ATOM 928 O ASP A 59 -13.146 7.769 -5.634 1.00 14.22 O ATOM 929 CB ASP A 59 -9.973 7.922 -6.609 1.00 14.51 C ATOM 930 CG ASP A 59 -10.647 9.033 -7.436 1.00 52.20 C ATOM 931 OD1 ASP A 59 -10.389 10.235 -7.182 1.00 2.54 O ATOM 932 OD2 ASP A 59 -11.441 8.709 -8.344 1.00 43.52 O ATOM 0 H ASP A 59 -9.178 6.194 -5.017 1.00 3.41 H new ATOM 0 HA ASP A 59 -10.880 8.425 -4.721 1.00 1.14 H new ATOM 0 HB2 ASP A 59 -8.974 8.249 -6.322 1.00 14.51 H new ATOM 0 HB3 ASP A 59 -9.851 7.037 -7.234 1.00 14.51 H new ATOM 937 N ASN A 60 -12.238 5.735 -6.127 1.00 1.13 N ATOM 938 CA ASN A 60 -13.526 5.078 -6.455 1.00 62.52 C ATOM 939 C ASN A 60 -14.357 4.815 -5.185 1.00 62.03 C ATOM 940 O ASN A 60 -15.538 4.463 -5.297 1.00 50.20 O ATOM 941 CB ASN A 60 -13.334 3.766 -7.287 1.00 71.43 C ATOM 942 CG ASN A 60 -12.781 4.019 -8.694 1.00 3.23 C ATOM 943 OD1 ASN A 60 -12.924 5.107 -9.250 1.00 61.44 O ATOM 944 ND2 ASN A 60 -12.205 3.001 -9.307 1.00 33.13 N ATOM 0 H ASN A 60 -11.425 5.128 -6.232 1.00 1.13 H new ATOM 0 HA ASN A 60 -14.081 5.772 -7.086 1.00 62.52 H new ATOM 0 HB2 ASN A 60 -12.657 3.100 -6.752 1.00 71.43 H new ATOM 0 HB3 ASN A 60 -14.291 3.251 -7.367 1.00 71.43 H new ATOM 0 HD21 ASN A 60 -11.867 3.107 -10.263 1.00 33.13 H new ATOM 0 HD22 ASN A 60 -12.098 2.109 -8.824 1.00 33.13 H new ATOM 951 N SER A 61 -13.722 4.981 -3.989 1.00 33.13 N ATOM 952 CA SER A 61 -14.419 5.043 -2.693 1.00 44.44 C ATOM 953 C SER A 61 -15.218 3.751 -2.425 1.00 14.42 C ATOM 954 O SER A 61 -16.326 3.789 -1.877 1.00 52.51 O ATOM 955 CB SER A 61 -15.314 6.320 -2.656 1.00 10.45 C ATOM 956 OG SER A 61 -15.974 6.475 -1.409 1.00 30.32 O ATOM 0 H SER A 61 -12.709 5.075 -3.909 1.00 33.13 H new ATOM 0 HA SER A 61 -13.689 5.115 -1.887 1.00 44.44 H new ATOM 0 HB2 SER A 61 -14.699 7.199 -2.852 1.00 10.45 H new ATOM 0 HB3 SER A 61 -16.055 6.266 -3.453 1.00 10.45 H new ATOM 0 HG SER A 61 -16.279 5.600 -1.089 1.00 30.32 H new ATOM 962 N GLU A 62 -14.616 2.598 -2.783 1.00 61.00 N ATOM 963 CA GLU A 62 -15.300 1.303 -2.711 1.00 75.15 C ATOM 964 C GLU A 62 -15.609 0.900 -1.256 1.00 43.02 C ATOM 965 O GLU A 62 -16.794 0.829 -0.883 1.00 52.04 O ATOM 966 CB GLU A 62 -14.520 0.222 -3.505 1.00 1.51 C ATOM 967 CG GLU A 62 -14.527 0.474 -5.021 1.00 70.11 C ATOM 968 CD GLU A 62 -15.946 0.526 -5.631 1.00 34.31 C ATOM 969 OE1 GLU A 62 -16.528 -0.545 -5.909 1.00 74.03 O ATOM 970 OE2 GLU A 62 -16.486 1.637 -5.829 1.00 61.53 O ATOM 0 H GLU A 62 -13.656 2.544 -3.124 1.00 61.00 H new ATOM 0 HA GLU A 62 -16.272 1.398 -3.196 1.00 75.15 H new ATOM 0 HB2 GLU A 62 -13.489 0.191 -3.151 1.00 1.51 H new ATOM 0 HB3 GLU A 62 -14.956 -0.756 -3.302 1.00 1.51 H new ATOM 0 HG2 GLU A 62 -14.017 1.415 -5.227 1.00 70.11 H new ATOM 0 HG3 GLU A 62 -13.957 -0.313 -5.515 1.00 70.11 H new ATOM 977 N TYR A 63 -14.562 0.697 -0.418 1.00 4.41 N ATOM 978 CA TYR A 63 -14.739 0.397 1.006 1.00 42.54 C ATOM 979 C TYR A 63 -13.335 0.392 1.658 1.00 1.11 C ATOM 980 O TYR A 63 -12.355 -0.110 1.062 1.00 73.03 O ATOM 981 CB TYR A 63 -15.476 -0.971 1.196 1.00 41.21 C ATOM 982 CG TYR A 63 -16.519 -0.987 2.314 1.00 31.21 C ATOM 983 CD1 TYR A 63 -16.242 -1.424 3.610 1.00 14.41 C ATOM 984 CD2 TYR A 63 -17.827 -0.568 2.045 1.00 60.34 C ATOM 985 CE1 TYR A 63 -17.227 -1.439 4.585 1.00 10.14 C ATOM 986 CE2 TYR A 63 -18.808 -0.576 3.016 1.00 70.31 C ATOM 987 CZ TYR A 63 -18.507 -1.010 4.285 1.00 64.42 C ATOM 988 OH TYR A 63 -19.496 -1.041 5.249 1.00 63.41 O ATOM 0 H TYR A 63 -13.587 0.738 -0.715 1.00 4.41 H new ATOM 0 HA TYR A 63 -15.363 1.151 1.486 1.00 42.54 H new ATOM 0 HB2 TYR A 63 -15.964 -1.238 0.259 1.00 41.21 H new ATOM 0 HB3 TYR A 63 -14.734 -1.743 1.400 1.00 41.21 H new ATOM 0 HD1 TYR A 63 -15.244 -1.756 3.857 1.00 14.41 H new ATOM 0 HD2 TYR A 63 -18.076 -0.229 1.050 1.00 60.34 H new ATOM 0 HE1 TYR A 63 -16.994 -1.786 5.581 1.00 10.14 H new ATOM 0 HE2 TYR A 63 -19.808 -0.243 2.780 1.00 70.31 H new ATOM 0 HH TYR A 63 -20.334 -0.703 4.869 1.00 63.41 H new ATOM 998 N LEU A 64 -13.253 0.876 2.908 1.00 51.00 N ATOM 999 CA LEU A 64 -11.922 1.092 3.578 1.00 10.04 C ATOM 1000 C LEU A 64 -11.321 -0.270 3.989 1.00 42.23 C ATOM 1001 O LEU A 64 -10.183 -0.572 3.610 1.00 75.33 O ATOM 1002 CB LEU A 64 -11.910 2.143 4.794 1.00 62.40 C ATOM 1003 CG LEU A 64 -11.417 3.631 4.590 1.00 60.14 C ATOM 1004 CD1 LEU A 64 -9.918 3.701 4.203 1.00 75.13 C ATOM 1005 CD2 LEU A 64 -12.312 4.523 3.676 1.00 2.20 C ATOM 0 H LEU A 64 -14.061 1.126 3.479 1.00 51.00 H new ATOM 0 HA LEU A 64 -11.291 1.573 2.830 1.00 10.04 H new ATOM 0 HB2 LEU A 64 -12.929 2.196 5.178 1.00 62.40 H new ATOM 0 HB3 LEU A 64 -11.294 1.710 5.582 1.00 62.40 H new ATOM 0 HG LEU A 64 -11.531 4.083 5.575 1.00 60.14 H new ATOM 0 HD11 LEU A 64 -9.624 4.743 4.073 1.00 75.13 H new ATOM 0 HD12 LEU A 64 -9.317 3.250 4.993 1.00 75.13 H new ATOM 0 HD13 LEU A 64 -9.757 3.160 3.271 1.00 75.13 H new ATOM 0 HD21 LEU A 64 -11.880 5.521 3.606 1.00 2.20 H new ATOM 0 HD22 LEU A 64 -12.369 4.082 2.681 1.00 2.20 H new ATOM 0 HD23 LEU A 64 -13.313 4.590 4.101 1.00 2.20 H new ATOM 1017 N PRO A 65 -12.071 -1.126 4.755 1.00 15.40 N ATOM 1018 CA PRO A 65 -11.687 -2.538 4.978 1.00 72.23 C ATOM 1019 C PRO A 65 -11.313 -3.311 3.699 1.00 51.15 C ATOM 1020 O PRO A 65 -10.473 -4.204 3.750 1.00 23.32 O ATOM 1021 CB PRO A 65 -12.958 -3.142 5.590 1.00 3.21 C ATOM 1022 CG PRO A 65 -13.543 -2.022 6.377 1.00 32.01 C ATOM 1023 CD PRO A 65 -13.290 -0.789 5.557 1.00 3.14 C ATOM 0 HA PRO A 65 -10.791 -2.600 5.595 1.00 72.23 H new ATOM 0 HB2 PRO A 65 -13.646 -3.491 4.820 1.00 3.21 H new ATOM 0 HB3 PRO A 65 -12.728 -3.999 6.224 1.00 3.21 H new ATOM 0 HG2 PRO A 65 -14.610 -2.172 6.543 1.00 32.01 H new ATOM 0 HG3 PRO A 65 -13.076 -1.945 7.359 1.00 32.01 H new ATOM 0 HD2 PRO A 65 -14.139 -0.557 4.914 1.00 3.14 H new ATOM 0 HD3 PRO A 65 -13.122 0.083 6.190 1.00 3.14 H new ATOM 1031 N LYS A 66 -11.914 -2.949 2.552 1.00 65.43 N ATOM 1032 CA LYS A 66 -11.751 -3.732 1.321 1.00 72.22 C ATOM 1033 C LYS A 66 -10.384 -3.442 0.693 1.00 32.54 C ATOM 1034 O LYS A 66 -9.716 -4.360 0.224 1.00 65.34 O ATOM 1035 CB LYS A 66 -12.910 -3.483 0.312 1.00 72.45 C ATOM 1036 CG LYS A 66 -14.221 -4.257 0.609 1.00 71.52 C ATOM 1037 CD LYS A 66 -14.052 -5.782 0.505 1.00 2.51 C ATOM 1038 CE LYS A 66 -15.333 -6.541 0.880 1.00 52.42 C ATOM 1039 NZ LYS A 66 -15.712 -6.352 2.305 1.00 53.43 N ATOM 0 H LYS A 66 -12.511 -2.127 2.455 1.00 65.43 H new ATOM 0 HA LYS A 66 -11.795 -4.789 1.584 1.00 72.22 H new ATOM 0 HB2 LYS A 66 -13.133 -2.416 0.295 1.00 72.45 H new ATOM 0 HB3 LYS A 66 -12.566 -3.753 -0.686 1.00 72.45 H new ATOM 0 HG2 LYS A 66 -14.568 -4.002 1.610 1.00 71.52 H new ATOM 0 HG3 LYS A 66 -14.994 -3.934 -0.088 1.00 71.52 H new ATOM 0 HD2 LYS A 66 -13.763 -6.044 -0.513 1.00 2.51 H new ATOM 0 HD3 LYS A 66 -13.240 -6.100 1.159 1.00 2.51 H new ATOM 0 HE2 LYS A 66 -16.150 -6.204 0.243 1.00 52.42 H new ATOM 0 HE3 LYS A 66 -15.192 -7.604 0.683 1.00 52.42 H new ATOM 0 HZ1 LYS A 66 -16.500 -6.988 2.542 1.00 53.43 H new ATOM 0 HZ2 LYS A 66 -14.897 -6.570 2.913 1.00 53.43 H new ATOM 0 HZ3 LYS A 66 -16.005 -5.366 2.459 1.00 53.43 H new ATOM 1053 N ILE A 67 -9.961 -2.166 0.719 1.00 62.12 N ATOM 1054 CA ILE A 67 -8.637 -1.768 0.186 1.00 52.03 C ATOM 1055 C ILE A 67 -7.503 -2.164 1.153 1.00 20.11 C ATOM 1056 O ILE A 67 -6.413 -2.528 0.713 1.00 73.23 O ATOM 1057 CB ILE A 67 -8.590 -0.234 -0.123 1.00 54.30 C ATOM 1058 CG1 ILE A 67 -9.804 0.131 -1.026 1.00 62.22 C ATOM 1059 CG2 ILE A 67 -7.245 0.178 -0.788 1.00 2.13 C ATOM 1060 CD1 ILE A 67 -9.817 1.540 -1.538 1.00 75.20 C ATOM 0 H ILE A 67 -10.509 -1.394 1.100 1.00 62.12 H new ATOM 0 HA ILE A 67 -8.485 -2.307 -0.749 1.00 52.03 H new ATOM 0 HB ILE A 67 -8.653 0.321 0.813 1.00 54.30 H new ATOM 0 HG12 ILE A 67 -9.820 -0.549 -1.878 1.00 62.22 H new ATOM 0 HG13 ILE A 67 -10.721 -0.043 -0.463 1.00 62.22 H new ATOM 0 HG21 ILE A 67 -7.251 1.250 -0.987 1.00 2.13 H new ATOM 0 HG22 ILE A 67 -6.419 -0.062 -0.118 1.00 2.13 H new ATOM 0 HG23 ILE A 67 -7.121 -0.364 -1.725 1.00 2.13 H new ATOM 0 HD11 ILE A 67 -10.701 1.694 -2.156 1.00 75.20 H new ATOM 0 HD12 ILE A 67 -9.837 2.233 -0.697 1.00 75.20 H new ATOM 0 HD13 ILE A 67 -8.922 1.719 -2.134 1.00 75.20 H new ATOM 1072 N ILE A 68 -7.791 -2.114 2.470 1.00 11.02 N ATOM 1073 CA ILE A 68 -6.833 -2.520 3.530 1.00 10.23 C ATOM 1074 C ILE A 68 -6.558 -4.035 3.406 1.00 71.31 C ATOM 1075 O ILE A 68 -5.399 -4.486 3.451 1.00 75.12 O ATOM 1076 CB ILE A 68 -7.369 -2.147 4.974 1.00 13.12 C ATOM 1077 CG1 ILE A 68 -7.356 -0.590 5.198 1.00 74.24 C ATOM 1078 CG2 ILE A 68 -6.582 -2.879 6.096 1.00 22.31 C ATOM 1079 CD1 ILE A 68 -8.028 -0.132 6.486 1.00 35.41 C ATOM 0 H ILE A 68 -8.689 -1.793 2.832 1.00 11.02 H new ATOM 0 HA ILE A 68 -5.900 -1.973 3.394 1.00 10.23 H new ATOM 0 HB ILE A 68 -8.402 -2.490 5.030 1.00 13.12 H new ATOM 0 HG12 ILE A 68 -6.322 -0.244 5.200 1.00 74.24 H new ATOM 0 HG13 ILE A 68 -7.851 -0.110 4.354 1.00 74.24 H new ATOM 0 HG21 ILE A 68 -6.984 -2.593 7.068 1.00 22.31 H new ATOM 0 HG22 ILE A 68 -6.680 -3.957 5.966 1.00 22.31 H new ATOM 0 HG23 ILE A 68 -5.529 -2.601 6.043 1.00 22.31 H new ATOM 0 HD11 ILE A 68 -7.973 0.954 6.559 1.00 35.41 H new ATOM 0 HD12 ILE A 68 -9.073 -0.443 6.482 1.00 35.41 H new ATOM 0 HD13 ILE A 68 -7.520 -0.579 7.340 1.00 35.41 H new ATOM 1091 N LEU A 69 -7.646 -4.798 3.191 1.00 75.54 N ATOM 1092 CA LEU A 69 -7.587 -6.252 2.978 1.00 70.20 C ATOM 1093 C LEU A 69 -6.822 -6.530 1.679 1.00 3.01 C ATOM 1094 O LEU A 69 -5.889 -7.311 1.690 1.00 13.23 O ATOM 1095 CB LEU A 69 -9.031 -6.858 2.932 1.00 35.12 C ATOM 1096 CG LEU A 69 -9.192 -8.431 3.212 1.00 2.41 C ATOM 1097 CD1 LEU A 69 -10.671 -8.920 3.182 1.00 70.11 C ATOM 1098 CD2 LEU A 69 -8.333 -9.346 2.294 1.00 51.03 C ATOM 0 H LEU A 69 -8.593 -4.420 3.160 1.00 75.54 H new ATOM 0 HA LEU A 69 -7.063 -6.728 3.807 1.00 70.20 H new ATOM 0 HB2 LEU A 69 -9.642 -6.324 3.660 1.00 35.12 H new ATOM 0 HB3 LEU A 69 -9.451 -6.648 1.948 1.00 35.12 H new ATOM 0 HG LEU A 69 -8.808 -8.531 4.227 1.00 2.41 H new ATOM 0 HD11 LEU A 69 -10.704 -9.992 3.379 1.00 70.11 H new ATOM 0 HD12 LEU A 69 -11.244 -8.393 3.945 1.00 70.11 H new ATOM 0 HD13 LEU A 69 -11.101 -8.718 2.201 1.00 70.11 H new ATOM 0 HD21 LEU A 69 -8.507 -10.390 2.556 1.00 51.03 H new ATOM 0 HD22 LEU A 69 -8.612 -9.182 1.253 1.00 51.03 H new ATOM 0 HD23 LEU A 69 -7.278 -9.109 2.429 1.00 51.03 H new ATOM 1110 N ASN A 70 -7.211 -5.843 0.583 1.00 24.02 N ATOM 1111 CA ASN A 70 -6.665 -6.106 -0.766 1.00 43.40 C ATOM 1112 C ASN A 70 -5.161 -5.782 -0.839 1.00 22.14 C ATOM 1113 O ASN A 70 -4.401 -6.493 -1.510 1.00 65.34 O ATOM 1114 CB ASN A 70 -7.459 -5.321 -1.846 1.00 12.11 C ATOM 1115 CG ASN A 70 -7.011 -5.639 -3.275 1.00 32.40 C ATOM 1116 OD1 ASN A 70 -6.079 -4.868 -3.798 1.00 71.15 O flip ATOM 1117 ND2 ASN A 70 -7.506 -6.579 -3.902 1.00 50.02 N flip ATOM 0 H ASN A 70 -7.906 -5.097 0.607 1.00 24.02 H new ATOM 0 HA ASN A 70 -6.780 -7.171 -0.968 1.00 43.40 H new ATOM 0 HB2 ASN A 70 -8.520 -5.550 -1.745 1.00 12.11 H new ATOM 0 HB3 ASN A 70 -7.345 -4.252 -1.666 1.00 12.11 H new ATOM 0 HD21 ASN A 70 -8.226 -7.158 -3.469 1.00 50.02 H new ATOM 0 HD22 ASN A 70 -7.195 -6.777 -4.853 1.00 50.02 H new ATOM 1124 N LEU A 71 -4.732 -4.736 -0.118 1.00 43.20 N ATOM 1125 CA LEU A 71 -3.319 -4.327 -0.063 1.00 11.40 C ATOM 1126 C LEU A 71 -2.546 -5.393 0.718 1.00 21.21 C ATOM 1127 O LEU A 71 -1.485 -5.850 0.282 1.00 50.34 O ATOM 1128 CB LEU A 71 -3.206 -2.894 0.573 1.00 52.23 C ATOM 1129 CG LEU A 71 -1.799 -2.165 0.688 1.00 32.51 C ATOM 1130 CD1 LEU A 71 -0.947 -2.677 1.870 1.00 14.43 C ATOM 1131 CD2 LEU A 71 -0.987 -2.202 -0.629 1.00 3.23 C ATOM 0 H LEU A 71 -5.352 -4.151 0.442 1.00 43.20 H new ATOM 0 HA LEU A 71 -2.884 -4.256 -1.060 1.00 11.40 H new ATOM 0 HB2 LEU A 71 -3.862 -2.237 0.001 1.00 52.23 H new ATOM 0 HB3 LEU A 71 -3.618 -2.957 1.580 1.00 52.23 H new ATOM 0 HG LEU A 71 -2.043 -1.122 0.890 1.00 32.51 H new ATOM 0 HD11 LEU A 71 0.001 -2.140 1.894 1.00 14.43 H new ATOM 0 HD12 LEU A 71 -1.483 -2.510 2.804 1.00 14.43 H new ATOM 0 HD13 LEU A 71 -0.757 -3.743 1.747 1.00 14.43 H new ATOM 0 HD21 LEU A 71 -0.037 -1.688 -0.485 1.00 3.23 H new ATOM 0 HD22 LEU A 71 -0.800 -3.238 -0.912 1.00 3.23 H new ATOM 0 HD23 LEU A 71 -1.552 -1.707 -1.419 1.00 3.23 H new ATOM 1143 N ARG A 72 -3.142 -5.837 1.845 1.00 65.03 N ATOM 1144 CA ARG A 72 -2.560 -6.907 2.677 1.00 41.54 C ATOM 1145 C ARG A 72 -2.649 -8.265 1.947 1.00 35.12 C ATOM 1146 O ARG A 72 -1.836 -9.147 2.176 1.00 30.33 O ATOM 1147 CB ARG A 72 -3.222 -6.983 4.097 1.00 3.14 C ATOM 1148 CG ARG A 72 -2.511 -7.961 5.054 1.00 20.50 C ATOM 1149 CD ARG A 72 -3.044 -7.922 6.494 1.00 31.24 C ATOM 1150 NE ARG A 72 -4.290 -8.692 6.696 1.00 54.11 N ATOM 1151 CZ ARG A 72 -4.661 -9.249 7.872 1.00 11.44 C ATOM 1152 NH1 ARG A 72 -3.903 -9.134 8.962 1.00 72.20 N ATOM 1153 NH2 ARG A 72 -5.793 -9.922 7.946 1.00 41.24 N ATOM 0 H ARG A 72 -4.026 -5.470 2.198 1.00 65.03 H new ATOM 0 HA ARG A 72 -1.509 -6.664 2.835 1.00 41.54 H new ATOM 0 HB2 ARG A 72 -3.224 -5.988 4.542 1.00 3.14 H new ATOM 0 HB3 ARG A 72 -4.263 -7.286 3.988 1.00 3.14 H new ATOM 0 HG2 ARG A 72 -2.616 -8.974 4.666 1.00 20.50 H new ATOM 0 HG3 ARG A 72 -1.445 -7.732 5.065 1.00 20.50 H new ATOM 0 HD2 ARG A 72 -2.277 -8.309 7.165 1.00 31.24 H new ATOM 0 HD3 ARG A 72 -3.221 -6.884 6.777 1.00 31.24 H new ATOM 0 HE ARG A 72 -4.911 -8.811 5.896 1.00 54.11 H new ATOM 0 HH11 ARG A 72 -3.024 -8.618 8.920 1.00 72.20 H new ATOM 0 HH12 ARG A 72 -4.202 -9.562 9.838 1.00 72.20 H new ATOM 0 HH21 ARG A 72 -6.383 -10.020 7.120 1.00 41.24 H new ATOM 0 HH22 ARG A 72 -6.078 -10.344 8.830 1.00 41.24 H new ATOM 1167 N LYS A 73 -3.602 -8.402 1.009 1.00 35.12 N ATOM 1168 CA LYS A 73 -3.822 -9.646 0.245 1.00 31.25 C ATOM 1169 C LYS A 73 -2.803 -9.717 -0.896 1.00 42.32 C ATOM 1170 O LYS A 73 -2.437 -10.799 -1.347 1.00 45.02 O ATOM 1171 CB LYS A 73 -5.291 -9.694 -0.288 1.00 22.25 C ATOM 1172 CG LYS A 73 -5.600 -10.826 -1.287 1.00 4.12 C ATOM 1173 CD LYS A 73 -7.074 -10.858 -1.745 1.00 33.34 C ATOM 1174 CE LYS A 73 -7.285 -11.815 -2.928 1.00 72.35 C ATOM 1175 NZ LYS A 73 -6.790 -13.199 -2.655 1.00 62.31 N ATOM 0 H LYS A 73 -4.245 -7.651 0.757 1.00 35.12 H new ATOM 0 HA LYS A 73 -3.680 -10.514 0.889 1.00 31.25 H new ATOM 0 HB2 LYS A 73 -5.964 -9.791 0.563 1.00 22.25 H new ATOM 0 HB3 LYS A 73 -5.517 -8.741 -0.766 1.00 22.25 H new ATOM 0 HG2 LYS A 73 -4.959 -10.713 -2.161 1.00 4.12 H new ATOM 0 HG3 LYS A 73 -5.349 -11.783 -0.829 1.00 4.12 H new ATOM 0 HD2 LYS A 73 -7.706 -11.165 -0.912 1.00 33.34 H new ATOM 0 HD3 LYS A 73 -7.388 -9.854 -2.030 1.00 33.34 H new ATOM 0 HE2 LYS A 73 -8.347 -11.856 -3.170 1.00 72.35 H new ATOM 0 HE3 LYS A 73 -6.773 -11.418 -3.805 1.00 72.35 H new ATOM 0 HZ1 LYS A 73 -7.020 -13.815 -3.461 1.00 62.31 H new ATOM 0 HZ2 LYS A 73 -5.759 -13.178 -2.518 1.00 62.31 H new ATOM 0 HZ3 LYS A 73 -7.246 -13.568 -1.796 1.00 62.31 H new ATOM 1189 N ALA A 74 -2.353 -8.542 -1.357 1.00 75.34 N ATOM 1190 CA ALA A 74 -1.318 -8.427 -2.385 1.00 22.01 C ATOM 1191 C ALA A 74 0.100 -8.564 -1.787 1.00 42.32 C ATOM 1192 O ALA A 74 0.985 -9.132 -2.434 1.00 41.24 O ATOM 1193 CB ALA A 74 -1.478 -7.097 -3.133 1.00 30.41 C ATOM 0 H ALA A 74 -2.700 -7.643 -1.024 1.00 75.34 H new ATOM 0 HA ALA A 74 -1.443 -9.248 -3.091 1.00 22.01 H new ATOM 0 HB1 ALA A 74 -0.706 -7.014 -3.898 1.00 30.41 H new ATOM 0 HB2 ALA A 74 -2.460 -7.060 -3.604 1.00 30.41 H new ATOM 0 HB3 ALA A 74 -1.382 -6.270 -2.429 1.00 30.41 H new ATOM 1199 N LEU A 75 0.322 -8.054 -0.548 1.00 51.14 N ATOM 1200 CA LEU A 75 1.687 -8.023 0.048 1.00 52.30 C ATOM 1201 C LEU A 75 1.979 -9.224 0.994 1.00 2.43 C ATOM 1202 O LEU A 75 3.151 -9.572 1.170 1.00 61.43 O ATOM 1203 CB LEU A 75 1.985 -6.658 0.772 1.00 61.35 C ATOM 1204 CG LEU A 75 1.769 -5.292 -0.012 1.00 22.32 C ATOM 1205 CD1 LEU A 75 2.364 -4.100 0.782 1.00 71.13 C ATOM 1206 CD2 LEU A 75 2.309 -5.309 -1.471 1.00 4.20 C ATOM 0 H LEU A 75 -0.409 -7.666 0.049 1.00 51.14 H new ATOM 0 HA LEU A 75 2.369 -8.118 -0.797 1.00 52.30 H new ATOM 0 HB2 LEU A 75 1.365 -6.622 1.668 1.00 61.35 H new ATOM 0 HB3 LEU A 75 3.023 -6.684 1.103 1.00 61.35 H new ATOM 0 HG LEU A 75 0.690 -5.165 -0.096 1.00 22.32 H new ATOM 0 HD11 LEU A 75 2.204 -3.176 0.226 1.00 71.13 H new ATOM 0 HD12 LEU A 75 1.874 -4.028 1.753 1.00 71.13 H new ATOM 0 HD13 LEU A 75 3.433 -4.256 0.926 1.00 71.13 H new ATOM 0 HD21 LEU A 75 2.124 -4.342 -1.939 1.00 4.20 H new ATOM 0 HD22 LEU A 75 3.381 -5.508 -1.460 1.00 4.20 H new ATOM 0 HD23 LEU A 75 1.801 -6.089 -2.038 1.00 4.20 H new ATOM 1218 N THR A 76 0.939 -9.865 1.592 1.00 73.30 N ATOM 1219 CA THR A 76 1.146 -11.054 2.475 1.00 25.44 C ATOM 1220 C THR A 76 1.801 -12.255 1.717 1.00 72.15 C ATOM 1221 O THR A 76 2.765 -12.813 2.245 1.00 2.43 O ATOM 1222 CB THR A 76 -0.164 -11.521 3.237 1.00 52.23 C ATOM 1223 OG1 THR A 76 -0.592 -10.494 4.138 1.00 63.12 O ATOM 1224 CG2 THR A 76 0.036 -12.820 4.043 1.00 60.25 C ATOM 0 H THR A 76 -0.037 -9.587 1.484 1.00 73.30 H new ATOM 0 HA THR A 76 1.846 -10.711 3.237 1.00 25.44 H new ATOM 0 HB THR A 76 -0.914 -11.714 2.470 1.00 52.23 H new ATOM 0 HG1 THR A 76 -0.965 -9.745 3.627 1.00 63.12 H new ATOM 0 HG21 THR A 76 -0.896 -13.086 4.541 1.00 60.25 H new ATOM 0 HG22 THR A 76 0.330 -13.625 3.369 1.00 60.25 H new ATOM 0 HG23 THR A 76 0.816 -12.669 4.790 1.00 60.25 H new ATOM 1232 N PRO A 77 1.346 -12.676 0.473 1.00 4.31 N ATOM 1233 CA PRO A 77 2.008 -13.798 -0.250 1.00 74.42 C ATOM 1234 C PRO A 77 3.481 -13.496 -0.591 1.00 42.34 C ATOM 1235 O PRO A 77 4.339 -14.380 -0.512 1.00 2.23 O ATOM 1236 CB PRO A 77 1.164 -13.979 -1.534 1.00 63.42 C ATOM 1237 CG PRO A 77 -0.137 -13.311 -1.241 1.00 1.22 C ATOM 1238 CD PRO A 77 0.194 -12.160 -0.324 1.00 35.33 C ATOM 0 HA PRO A 77 2.045 -14.699 0.363 1.00 74.42 H new ATOM 0 HB2 PRO A 77 1.655 -13.526 -2.395 1.00 63.42 H new ATOM 0 HB3 PRO A 77 1.022 -15.034 -1.767 1.00 63.42 H new ATOM 0 HG2 PRO A 77 -0.611 -12.958 -2.157 1.00 1.22 H new ATOM 0 HG3 PRO A 77 -0.834 -14.002 -0.767 1.00 1.22 H new ATOM 0 HD2 PRO A 77 0.461 -11.264 -0.884 1.00 35.33 H new ATOM 0 HD3 PRO A 77 -0.651 -11.898 0.313 1.00 35.33 H new ATOM 1246 N LEU A 78 3.753 -12.223 -0.949 1.00 13.41 N ATOM 1247 CA LEU A 78 5.124 -11.756 -1.276 1.00 73.54 C ATOM 1248 C LEU A 78 5.991 -11.639 -0.005 1.00 20.33 C ATOM 1249 O LEU A 78 7.218 -11.734 -0.080 1.00 12.34 O ATOM 1250 CB LEU A 78 5.125 -10.386 -2.049 1.00 70.35 C ATOM 1251 CG LEU A 78 4.189 -10.264 -3.321 1.00 55.33 C ATOM 1252 CD1 LEU A 78 4.228 -8.844 -3.953 1.00 62.43 C ATOM 1253 CD2 LEU A 78 4.492 -11.332 -4.408 1.00 35.11 C ATOM 0 H LEU A 78 3.041 -11.496 -1.020 1.00 13.41 H new ATOM 0 HA LEU A 78 5.554 -12.510 -1.935 1.00 73.54 H new ATOM 0 HB2 LEU A 78 4.841 -9.603 -1.346 1.00 70.35 H new ATOM 0 HB3 LEU A 78 6.148 -10.177 -2.363 1.00 70.35 H new ATOM 0 HG LEU A 78 3.183 -10.449 -2.945 1.00 55.33 H new ATOM 0 HD11 LEU A 78 3.570 -8.814 -4.821 1.00 62.43 H new ATOM 0 HD12 LEU A 78 3.895 -8.110 -3.219 1.00 62.43 H new ATOM 0 HD13 LEU A 78 5.247 -8.611 -4.262 1.00 62.43 H new ATOM 0 HD21 LEU A 78 3.817 -11.194 -5.252 1.00 35.11 H new ATOM 0 HD22 LEU A 78 5.523 -11.225 -4.746 1.00 35.11 H new ATOM 0 HD23 LEU A 78 4.350 -12.328 -3.989 1.00 35.11 H new ATOM 1265 N ALA A 79 5.344 -11.417 1.150 1.00 43.43 N ATOM 1266 CA ALA A 79 6.035 -11.369 2.450 1.00 41.05 C ATOM 1267 C ALA A 79 6.465 -12.786 2.874 1.00 35.54 C ATOM 1268 O ALA A 79 7.633 -13.005 3.201 1.00 5.11 O ATOM 1269 CB ALA A 79 5.145 -10.709 3.513 1.00 71.13 C ATOM 0 H ALA A 79 4.337 -11.267 1.211 1.00 43.43 H new ATOM 0 HA ALA A 79 6.933 -10.759 2.351 1.00 41.05 H new ATOM 0 HB1 ALA A 79 5.674 -10.684 4.466 1.00 71.13 H new ATOM 0 HB2 ALA A 79 4.903 -9.692 3.205 1.00 71.13 H new ATOM 0 HB3 ALA A 79 4.225 -11.283 3.624 1.00 71.13 H new ATOM 1275 N ILE A 80 5.521 -13.746 2.791 1.00 0.05 N ATOM 1276 CA ILE A 80 5.755 -15.162 3.167 1.00 1.41 C ATOM 1277 C ILE A 80 6.828 -15.787 2.246 1.00 33.25 C ATOM 1278 O ILE A 80 7.734 -16.494 2.714 1.00 12.01 O ATOM 1279 CB ILE A 80 4.420 -16.010 3.096 1.00 54.03 C ATOM 1280 CG1 ILE A 80 3.308 -15.418 4.031 1.00 43.02 C ATOM 1281 CG2 ILE A 80 4.677 -17.507 3.418 1.00 50.23 C ATOM 1282 CD1 ILE A 80 1.958 -16.123 3.950 1.00 51.32 C ATOM 0 H ILE A 80 4.573 -13.564 2.461 1.00 0.05 H new ATOM 0 HA ILE A 80 6.109 -15.179 4.198 1.00 1.41 H new ATOM 0 HB ILE A 80 4.057 -15.948 2.070 1.00 54.03 H new ATOM 0 HG12 ILE A 80 3.661 -15.458 5.061 1.00 43.02 H new ATOM 0 HG13 ILE A 80 3.167 -14.366 3.783 1.00 43.02 H new ATOM 0 HG21 ILE A 80 3.738 -18.058 3.360 1.00 50.23 H new ATOM 0 HG22 ILE A 80 5.384 -17.918 2.698 1.00 50.23 H new ATOM 0 HG23 ILE A 80 5.089 -17.597 4.423 1.00 50.23 H new ATOM 0 HD11 ILE A 80 1.255 -15.643 4.631 1.00 51.32 H new ATOM 0 HD12 ILE A 80 1.576 -16.061 2.931 1.00 51.32 H new ATOM 0 HD13 ILE A 80 2.077 -17.170 4.230 1.00 51.32 H new ATOM 1294 N ASN A 81 6.725 -15.494 0.931 1.00 2.35 N ATOM 1295 CA ASN A 81 7.728 -15.918 -0.072 1.00 31.42 C ATOM 1296 C ASN A 81 9.017 -15.081 0.033 1.00 35.43 C ATOM 1297 O ASN A 81 10.027 -15.436 -0.592 1.00 5.41 O ATOM 1298 CB ASN A 81 7.159 -15.849 -1.517 1.00 5.53 C ATOM 1299 CG ASN A 81 6.011 -16.834 -1.782 1.00 62.33 C ATOM 1300 OD1 ASN A 81 5.864 -17.851 -1.101 1.00 13.31 O ATOM 1301 ND2 ASN A 81 5.216 -16.561 -2.803 1.00 51.10 N ATOM 0 H ASN A 81 5.950 -14.961 0.537 1.00 2.35 H new ATOM 0 HA ASN A 81 7.974 -16.957 0.147 1.00 31.42 H new ATOM 0 HB2 ASN A 81 6.807 -14.836 -1.710 1.00 5.53 H new ATOM 0 HB3 ASN A 81 7.965 -16.047 -2.224 1.00 5.53 H new ATOM 0 HD21 ASN A 81 4.458 -17.200 -3.044 1.00 51.10 H new ATOM 0 HD22 ASN A 81 5.361 -15.712 -3.349 1.00 51.10 H new ATOM 1308 N ARG A 82 8.966 -13.961 0.800 1.00 15.14 N ATOM 1309 CA ARG A 82 10.154 -13.147 1.155 1.00 63.24 C ATOM 1310 C ARG A 82 10.840 -12.533 -0.093 1.00 11.31 C ATOM 1311 O ARG A 82 12.012 -12.824 -0.392 1.00 71.31 O ATOM 1312 CB ARG A 82 11.163 -13.949 2.042 1.00 62.41 C ATOM 1313 CG ARG A 82 10.647 -14.348 3.449 1.00 72.50 C ATOM 1314 CD ARG A 82 11.722 -15.047 4.296 1.00 21.44 C ATOM 1315 NE ARG A 82 12.891 -14.172 4.513 1.00 13.11 N ATOM 1316 CZ ARG A 82 14.145 -14.415 4.086 1.00 22.01 C ATOM 1317 NH1 ARG A 82 14.433 -15.515 3.382 1.00 30.24 N ATOM 1318 NH2 ARG A 82 15.107 -13.536 4.338 1.00 22.53 N ATOM 0 H ARG A 82 8.096 -13.598 1.190 1.00 15.14 H new ATOM 0 HA ARG A 82 9.794 -12.311 1.755 1.00 63.24 H new ATOM 0 HB2 ARG A 82 11.447 -14.856 1.508 1.00 62.41 H new ATOM 0 HB3 ARG A 82 12.068 -13.353 2.162 1.00 62.41 H new ATOM 0 HG2 ARG A 82 10.301 -13.456 3.972 1.00 72.50 H new ATOM 0 HG3 ARG A 82 9.787 -15.009 3.343 1.00 72.50 H new ATOM 0 HD2 ARG A 82 11.298 -15.336 5.258 1.00 21.44 H new ATOM 0 HD3 ARG A 82 12.039 -15.964 3.799 1.00 21.44 H new ATOM 0 HE ARG A 82 12.735 -13.308 5.032 1.00 13.11 H new ATOM 0 HH11 ARG A 82 13.697 -16.186 3.160 1.00 30.24 H new ATOM 0 HH12 ARG A 82 15.388 -15.683 3.067 1.00 30.24 H new ATOM 0 HH21 ARG A 82 14.895 -12.681 4.853 1.00 22.53 H new ATOM 0 HH22 ARG A 82 16.058 -13.715 4.017 1.00 22.53 H new ATOM 1332 N THR A 83 10.078 -11.721 -0.845 1.00 44.15 N ATOM 1333 CA THR A 83 10.611 -10.938 -1.980 1.00 74.35 C ATOM 1334 C THR A 83 9.973 -9.526 -2.033 1.00 73.33 C ATOM 1335 O THR A 83 10.091 -8.819 -3.038 1.00 42.44 O ATOM 1336 CB THR A 83 10.434 -11.713 -3.336 1.00 61.42 C ATOM 1337 OG1 THR A 83 11.110 -11.034 -4.410 1.00 13.30 O ATOM 1338 CG2 THR A 83 8.963 -11.918 -3.707 1.00 72.32 C ATOM 0 H THR A 83 9.079 -11.587 -0.687 1.00 44.15 H new ATOM 0 HA THR A 83 11.681 -10.803 -1.824 1.00 74.35 H new ATOM 0 HB THR A 83 10.882 -12.696 -3.187 1.00 61.42 H new ATOM 0 HG1 THR A 83 10.901 -10.077 -4.375 1.00 13.30 H new ATOM 0 HG21 THR A 83 8.898 -12.458 -4.652 1.00 72.32 H new ATOM 0 HG22 THR A 83 8.467 -12.493 -2.925 1.00 72.32 H new ATOM 0 HG23 THR A 83 8.475 -10.949 -3.809 1.00 72.32 H new ATOM 1346 N LEU A 84 9.312 -9.112 -0.935 1.00 4.30 N ATOM 1347 CA LEU A 84 8.820 -7.724 -0.766 1.00 30.11 C ATOM 1348 C LEU A 84 10.033 -6.804 -0.487 1.00 53.43 C ATOM 1349 O LEU A 84 10.966 -7.214 0.217 1.00 1.05 O ATOM 1350 CB LEU A 84 7.794 -7.668 0.413 1.00 54.32 C ATOM 1351 CG LEU A 84 7.079 -6.298 0.699 1.00 24.23 C ATOM 1352 CD1 LEU A 84 5.903 -6.029 -0.267 1.00 22.34 C ATOM 1353 CD2 LEU A 84 6.617 -6.202 2.173 1.00 72.31 C ATOM 0 H LEU A 84 9.103 -9.722 -0.144 1.00 4.30 H new ATOM 0 HA LEU A 84 8.313 -7.386 -1.670 1.00 30.11 H new ATOM 0 HB2 LEU A 84 7.023 -8.414 0.222 1.00 54.32 H new ATOM 0 HB3 LEU A 84 8.312 -7.971 1.323 1.00 54.32 H new ATOM 0 HG LEU A 84 7.820 -5.519 0.521 1.00 24.23 H new ATOM 0 HD11 LEU A 84 5.445 -5.070 -0.025 1.00 22.34 H new ATOM 0 HD12 LEU A 84 6.272 -6.006 -1.292 1.00 22.34 H new ATOM 0 HD13 LEU A 84 5.161 -6.821 -0.166 1.00 22.34 H new ATOM 0 HD21 LEU A 84 6.126 -5.243 2.339 1.00 72.31 H new ATOM 0 HD22 LEU A 84 5.917 -7.010 2.388 1.00 72.31 H new ATOM 0 HD23 LEU A 84 7.482 -6.286 2.831 1.00 72.31 H new ATOM 1365 N ASN A 85 10.021 -5.570 -1.030 1.00 0.03 N ATOM 1366 CA ASN A 85 11.198 -4.635 -0.932 1.00 42.05 C ATOM 1367 C ASN A 85 11.419 -4.192 0.519 1.00 42.44 C ATOM 1368 O ASN A 85 12.555 -3.898 0.918 1.00 23.23 O ATOM 1369 CB ASN A 85 11.069 -3.378 -1.864 1.00 45.40 C ATOM 1370 CG ASN A 85 12.349 -2.535 -1.964 1.00 20.23 C ATOM 1371 OD1 ASN A 85 12.643 -1.729 -1.085 1.00 11.24 O ATOM 1372 ND2 ASN A 85 13.088 -2.653 -3.062 1.00 51.35 N ATOM 0 H ASN A 85 9.225 -5.185 -1.539 1.00 0.03 H new ATOM 0 HA ASN A 85 12.064 -5.199 -1.278 1.00 42.05 H new ATOM 0 HB2 ASN A 85 10.786 -3.708 -2.863 1.00 45.40 H new ATOM 0 HB3 ASN A 85 10.260 -2.748 -1.495 1.00 45.40 H new ATOM 0 HD21 ASN A 85 13.915 -2.069 -3.185 1.00 51.35 H new ATOM 0 HD22 ASN A 85 12.828 -3.328 -3.781 1.00 51.35 H new ATOM 1379 N HIS A 86 10.305 -4.105 1.284 1.00 14.01 N ATOM 1380 CA HIS A 86 10.308 -3.895 2.752 1.00 72.21 C ATOM 1381 C HIS A 86 10.730 -2.444 3.152 1.00 23.34 C ATOM 1382 O HIS A 86 10.762 -2.103 4.339 1.00 32.33 O ATOM 1383 CB HIS A 86 11.184 -5.009 3.424 1.00 15.34 C ATOM 1384 CG HIS A 86 11.204 -5.022 4.923 1.00 44.30 C ATOM 1385 ND1 HIS A 86 12.244 -4.499 5.654 1.00 74.21 N ATOM 1386 CD2 HIS A 86 10.331 -5.521 5.829 1.00 33.23 C ATOM 1387 CE1 HIS A 86 12.009 -4.669 6.936 1.00 44.23 C ATOM 1388 NE2 HIS A 86 10.859 -5.287 7.074 1.00 72.11 N ATOM 0 H HIS A 86 9.366 -4.180 0.894 1.00 14.01 H new ATOM 0 HA HIS A 86 9.289 -3.989 3.129 1.00 72.21 H new ATOM 0 HB2 HIS A 86 10.828 -5.980 3.078 1.00 15.34 H new ATOM 0 HB3 HIS A 86 12.209 -4.900 3.069 1.00 15.34 H new ATOM 0 HD2 HIS A 86 9.394 -6.012 5.613 1.00 33.23 H new ATOM 0 HE1 HIS A 86 12.655 -4.353 7.742 1.00 44.23 H new ATOM 0 HE2 HIS A 86 10.429 -5.550 7.961 1.00 72.11 H new ATOM 1397 N ASP A 87 10.998 -1.579 2.150 1.00 74.44 N ATOM 1398 CA ASP A 87 11.348 -0.147 2.368 1.00 64.22 C ATOM 1399 C ASP A 87 10.080 0.720 2.638 1.00 65.12 C ATOM 1400 O ASP A 87 10.182 1.927 2.899 1.00 44.11 O ATOM 1401 CB ASP A 87 12.209 0.390 1.169 1.00 65.15 C ATOM 1402 CG ASP A 87 12.705 1.843 1.328 1.00 44.41 C ATOM 1403 OD1 ASP A 87 13.570 2.099 2.192 1.00 32.00 O ATOM 1404 OD2 ASP A 87 12.248 2.736 0.575 1.00 71.01 O ATOM 0 H ASP A 87 10.979 -1.847 1.166 1.00 74.44 H new ATOM 0 HA ASP A 87 11.958 -0.070 3.268 1.00 64.22 H new ATOM 0 HB2 ASP A 87 13.073 -0.262 1.040 1.00 65.15 H new ATOM 0 HB3 ASP A 87 11.618 0.321 0.256 1.00 65.15 H new ATOM 1409 N LEU A 88 8.871 0.097 2.609 1.00 15.43 N ATOM 1410 CA LEU A 88 7.624 0.721 3.112 1.00 34.21 C ATOM 1411 C LEU A 88 6.989 -0.199 4.171 1.00 30.05 C ATOM 1412 O LEU A 88 5.759 -0.309 4.280 1.00 34.25 O ATOM 1413 CB LEU A 88 6.612 1.108 1.979 1.00 74.45 C ATOM 1414 CG LEU A 88 6.242 0.019 0.910 1.00 74.12 C ATOM 1415 CD1 LEU A 88 4.783 0.188 0.432 1.00 3.12 C ATOM 1416 CD2 LEU A 88 7.187 0.074 -0.312 1.00 74.22 C ATOM 0 H LEU A 88 8.737 -0.844 2.239 1.00 15.43 H new ATOM 0 HA LEU A 88 7.891 1.672 3.573 1.00 34.21 H new ATOM 0 HB2 LEU A 88 5.688 1.434 2.456 1.00 74.45 H new ATOM 0 HB3 LEU A 88 7.019 1.970 1.449 1.00 74.45 H new ATOM 0 HG LEU A 88 6.355 -0.951 1.395 1.00 74.12 H new ATOM 0 HD11 LEU A 88 4.551 -0.578 -0.308 1.00 3.12 H new ATOM 0 HD12 LEU A 88 4.108 0.088 1.282 1.00 3.12 H new ATOM 0 HD13 LEU A 88 4.659 1.174 -0.016 1.00 3.12 H new ATOM 0 HD21 LEU A 88 6.899 -0.694 -1.029 1.00 74.22 H new ATOM 0 HD22 LEU A 88 7.116 1.055 -0.783 1.00 74.22 H new ATOM 0 HD23 LEU A 88 8.213 -0.099 0.013 1.00 74.22 H new ATOM 1428 N SER A 89 7.870 -0.808 5.001 1.00 3.15 N ATOM 1429 CA SER A 89 7.487 -1.689 6.124 1.00 55.24 C ATOM 1430 C SER A 89 6.554 -0.979 7.119 1.00 22.02 C ATOM 1431 O SER A 89 5.684 -1.614 7.713 1.00 65.31 O ATOM 1432 CB SER A 89 8.755 -2.194 6.848 1.00 63.05 C ATOM 1433 OG SER A 89 9.582 -1.122 7.277 1.00 53.11 O ATOM 0 H SER A 89 8.880 -0.698 4.905 1.00 3.15 H new ATOM 0 HA SER A 89 6.939 -2.536 5.712 1.00 55.24 H new ATOM 0 HB2 SER A 89 8.466 -2.796 7.709 1.00 63.05 H new ATOM 0 HB3 SER A 89 9.320 -2.844 6.180 1.00 63.05 H new ATOM 0 HG SER A 89 10.373 -1.481 7.732 1.00 53.11 H new ATOM 1439 N GLU A 90 6.730 0.353 7.249 1.00 25.01 N ATOM 1440 CA GLU A 90 5.933 1.190 8.165 1.00 63.31 C ATOM 1441 C GLU A 90 4.457 1.243 7.713 1.00 45.32 C ATOM 1442 O GLU A 90 3.574 1.368 8.552 1.00 73.41 O ATOM 1443 CB GLU A 90 6.516 2.641 8.278 1.00 63.35 C ATOM 1444 CG GLU A 90 7.881 2.799 9.012 1.00 24.43 C ATOM 1445 CD GLU A 90 8.377 4.261 9.018 1.00 64.13 C ATOM 1446 OE1 GLU A 90 9.100 4.660 8.076 1.00 31.53 O ATOM 1447 OE2 GLU A 90 8.025 5.024 9.951 1.00 53.33 O ATOM 0 H GLU A 90 7.429 0.876 6.721 1.00 25.01 H new ATOM 0 HA GLU A 90 5.984 0.730 9.152 1.00 63.31 H new ATOM 0 HB2 GLU A 90 6.625 3.042 7.270 1.00 63.35 H new ATOM 0 HB3 GLU A 90 5.782 3.262 8.791 1.00 63.35 H new ATOM 0 HG2 GLU A 90 7.782 2.447 10.039 1.00 24.43 H new ATOM 0 HG3 GLU A 90 8.626 2.167 8.529 1.00 24.43 H new ATOM 1454 N LEU A 91 4.205 1.130 6.391 1.00 14.11 N ATOM 1455 CA LEU A 91 2.834 1.128 5.835 1.00 71.32 C ATOM 1456 C LEU A 91 2.126 -0.193 6.173 1.00 32.14 C ATOM 1457 O LEU A 91 0.971 -0.207 6.646 1.00 43.42 O ATOM 1458 CB LEU A 91 2.865 1.352 4.295 1.00 71.31 C ATOM 1459 CG LEU A 91 1.479 1.308 3.572 1.00 34.25 C ATOM 1460 CD1 LEU A 91 0.540 2.419 4.078 1.00 23.11 C ATOM 1461 CD2 LEU A 91 1.639 1.346 2.036 1.00 52.03 C ATOM 0 H LEU A 91 4.937 1.039 5.686 1.00 14.11 H new ATOM 0 HA LEU A 91 2.276 1.948 6.287 1.00 71.32 H new ATOM 0 HB2 LEU A 91 3.326 2.320 4.097 1.00 71.31 H new ATOM 0 HB3 LEU A 91 3.510 0.594 3.850 1.00 71.31 H new ATOM 0 HG LEU A 91 1.011 0.356 3.822 1.00 34.25 H new ATOM 0 HD11 LEU A 91 -0.413 2.357 3.553 1.00 23.11 H new ATOM 0 HD12 LEU A 91 0.374 2.295 5.148 1.00 23.11 H new ATOM 0 HD13 LEU A 91 0.994 3.392 3.892 1.00 23.11 H new ATOM 0 HD21 LEU A 91 0.656 1.314 1.567 1.00 52.03 H new ATOM 0 HD22 LEU A 91 2.150 2.264 1.746 1.00 52.03 H new ATOM 0 HD23 LEU A 91 2.225 0.487 1.710 1.00 52.03 H new ATOM 1473 N TYR A 92 2.852 -1.300 5.960 1.00 70.21 N ATOM 1474 CA TYR A 92 2.337 -2.652 6.200 1.00 44.22 C ATOM 1475 C TYR A 92 2.152 -2.881 7.723 1.00 15.12 C ATOM 1476 O TYR A 92 1.278 -3.643 8.154 1.00 21.03 O ATOM 1477 CB TYR A 92 3.282 -3.700 5.558 1.00 64.13 C ATOM 1478 CG TYR A 92 2.766 -5.152 5.558 1.00 35.03 C ATOM 1479 CD1 TYR A 92 1.475 -5.475 5.103 1.00 73.32 C ATOM 1480 CD2 TYR A 92 3.571 -6.205 5.999 1.00 43.34 C ATOM 1481 CE1 TYR A 92 1.030 -6.780 5.083 1.00 54.25 C ATOM 1482 CE2 TYR A 92 3.121 -7.512 5.980 1.00 64.44 C ATOM 1483 CZ TYR A 92 1.849 -7.791 5.531 1.00 42.44 C ATOM 1484 OH TYR A 92 1.402 -9.093 5.514 1.00 14.32 O ATOM 0 H TYR A 92 3.812 -1.281 5.617 1.00 70.21 H new ATOM 0 HA TYR A 92 1.360 -2.766 5.731 1.00 44.22 H new ATOM 0 HB2 TYR A 92 3.478 -3.403 4.528 1.00 64.13 H new ATOM 0 HB3 TYR A 92 4.236 -3.673 6.084 1.00 64.13 H new ATOM 0 HD1 TYR A 92 0.820 -4.686 4.763 1.00 73.32 H new ATOM 0 HD2 TYR A 92 4.566 -5.994 6.362 1.00 43.34 H new ATOM 0 HE1 TYR A 92 0.040 -7.008 4.716 1.00 54.25 H new ATOM 0 HE2 TYR A 92 3.765 -8.312 6.316 1.00 64.44 H new ATOM 0 HH TYR A 92 0.662 -9.177 4.877 1.00 14.32 H new ATOM 1494 N LYS A 93 2.974 -2.163 8.524 1.00 74.44 N ATOM 1495 CA LYS A 93 2.894 -2.158 9.999 1.00 21.11 C ATOM 1496 C LYS A 93 1.775 -1.211 10.480 1.00 64.14 C ATOM 1497 O LYS A 93 1.139 -1.462 11.506 1.00 4.44 O ATOM 1498 CB LYS A 93 4.272 -1.749 10.601 1.00 52.52 C ATOM 1499 CG LYS A 93 4.369 -1.801 12.147 1.00 42.22 C ATOM 1500 CD LYS A 93 5.818 -1.581 12.652 1.00 52.14 C ATOM 1501 CE LYS A 93 5.947 -1.675 14.182 1.00 32.02 C ATOM 1502 NZ LYS A 93 5.310 -0.532 14.893 1.00 10.23 N ATOM 0 H LYS A 93 3.717 -1.567 8.159 1.00 74.44 H new ATOM 0 HA LYS A 93 2.649 -3.162 10.345 1.00 21.11 H new ATOM 0 HB2 LYS A 93 5.039 -2.402 10.185 1.00 52.52 H new ATOM 0 HB3 LYS A 93 4.505 -0.736 10.274 1.00 52.52 H new ATOM 0 HG2 LYS A 93 3.717 -1.040 12.576 1.00 42.22 H new ATOM 0 HG3 LYS A 93 4.006 -2.766 12.500 1.00 42.22 H new ATOM 0 HD2 LYS A 93 6.472 -2.322 12.192 1.00 52.14 H new ATOM 0 HD3 LYS A 93 6.165 -0.601 12.324 1.00 52.14 H new ATOM 0 HE2 LYS A 93 5.493 -2.606 14.522 1.00 32.02 H new ATOM 0 HE3 LYS A 93 7.003 -1.719 14.450 1.00 32.02 H new ATOM 0 HZ1 LYS A 93 5.430 -0.651 15.919 1.00 10.23 H new ATOM 0 HZ2 LYS A 93 5.759 0.357 14.593 1.00 10.23 H new ATOM 0 HZ3 LYS A 93 4.296 -0.502 14.664 1.00 10.23 H new ATOM 1516 N PHE A 94 1.530 -0.137 9.705 1.00 35.23 N ATOM 1517 CA PHE A 94 0.509 0.889 10.018 1.00 54.13 C ATOM 1518 C PHE A 94 -0.901 0.288 9.987 1.00 12.20 C ATOM 1519 O PHE A 94 -1.649 0.407 10.957 1.00 33.23 O ATOM 1520 CB PHE A 94 0.634 2.083 9.026 1.00 24.14 C ATOM 1521 CG PHE A 94 -0.405 3.197 9.165 1.00 22.23 C ATOM 1522 CD1 PHE A 94 -0.377 4.077 10.247 1.00 2.43 C ATOM 1523 CD2 PHE A 94 -1.409 3.372 8.205 1.00 11.41 C ATOM 1524 CE1 PHE A 94 -1.314 5.087 10.369 1.00 63.53 C ATOM 1525 CE2 PHE A 94 -2.342 4.381 8.329 1.00 62.30 C ATOM 1526 CZ PHE A 94 -2.296 5.238 9.412 1.00 11.32 C ATOM 0 H PHE A 94 2.036 0.047 8.839 1.00 35.23 H new ATOM 0 HA PHE A 94 0.684 1.259 11.028 1.00 54.13 H new ATOM 0 HB2 PHE A 94 1.624 2.523 9.145 1.00 24.14 H new ATOM 0 HB3 PHE A 94 0.579 1.690 8.011 1.00 24.14 H new ATOM 0 HD1 PHE A 94 0.388 3.968 11.001 1.00 2.43 H new ATOM 0 HD2 PHE A 94 -1.454 2.707 7.355 1.00 11.41 H new ATOM 0 HE1 PHE A 94 -1.277 5.758 11.214 1.00 63.53 H new ATOM 0 HE2 PHE A 94 -3.109 4.501 7.579 1.00 62.30 H new ATOM 0 HZ PHE A 94 -3.029 6.026 9.509 1.00 11.32 H new ATOM 1536 N ILE A 95 -1.228 -0.417 8.889 1.00 45.22 N ATOM 1537 CA ILE A 95 -2.587 -0.985 8.671 1.00 71.31 C ATOM 1538 C ILE A 95 -2.899 -2.178 9.632 1.00 10.33 C ATOM 1539 O ILE A 95 -3.992 -2.747 9.578 1.00 13.20 O ATOM 1540 CB ILE A 95 -2.838 -1.382 7.151 1.00 40.34 C ATOM 1541 CG1 ILE A 95 -2.176 -2.755 6.785 1.00 11.04 C ATOM 1542 CG2 ILE A 95 -2.397 -0.236 6.195 1.00 54.21 C ATOM 1543 CD1 ILE A 95 -2.071 -3.072 5.303 1.00 14.14 C ATOM 0 H ILE A 95 -0.573 -0.612 8.132 1.00 45.22 H new ATOM 0 HA ILE A 95 -3.289 -0.188 8.916 1.00 71.31 H new ATOM 0 HB ILE A 95 -3.911 -1.519 7.017 1.00 40.34 H new ATOM 0 HG12 ILE A 95 -1.174 -2.777 7.213 1.00 11.04 H new ATOM 0 HG13 ILE A 95 -2.746 -3.550 7.266 1.00 11.04 H new ATOM 0 HG21 ILE A 95 -2.579 -0.533 5.162 1.00 54.21 H new ATOM 0 HG22 ILE A 95 -2.968 0.665 6.419 1.00 54.21 H new ATOM 0 HG23 ILE A 95 -1.334 -0.036 6.333 1.00 54.21 H new ATOM 0 HD11 ILE A 95 -1.597 -4.045 5.172 1.00 14.14 H new ATOM 0 HD12 ILE A 95 -3.068 -3.092 4.864 1.00 14.14 H new ATOM 0 HD13 ILE A 95 -1.472 -2.307 4.809 1.00 14.14 H new ATOM 1555 N THR A 96 -1.922 -2.554 10.495 1.00 61.40 N ATOM 1556 CA THR A 96 -2.077 -3.625 11.507 1.00 75.42 C ATOM 1557 C THR A 96 -1.966 -3.080 12.949 1.00 42.33 C ATOM 1558 O THR A 96 -2.172 -3.833 13.912 1.00 41.34 O ATOM 1559 CB THR A 96 -0.998 -4.740 11.296 1.00 21.54 C ATOM 1560 OG1 THR A 96 0.271 -4.142 11.006 1.00 21.44 O ATOM 1561 CG2 THR A 96 -1.362 -5.702 10.172 1.00 40.31 C ATOM 0 H THR A 96 -1.000 -2.119 10.507 1.00 61.40 H new ATOM 0 HA THR A 96 -3.075 -4.044 11.374 1.00 75.42 H new ATOM 0 HB THR A 96 -0.950 -5.313 12.222 1.00 21.54 H new ATOM 0 HG1 THR A 96 0.311 -3.249 11.407 1.00 21.44 H new ATOM 0 HG21 THR A 96 -0.580 -6.454 10.069 1.00 40.31 H new ATOM 0 HG22 THR A 96 -2.308 -6.192 10.404 1.00 40.31 H new ATOM 0 HG23 THR A 96 -1.459 -5.150 9.237 1.00 40.31 H new