USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 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 86 HIS : no HD1:sc= 0.0502 K(o=0.14,f=-0.49) USER MOD Set 1.2: A 89 SER OG : rot 155:sc= 0.0924 USER MOD Set 2.1: A 76 THR OG1 : rot 105:sc= 1.65 USER MOD Set 2.2: A 92 TYR OH : rot -177:sc= 0.855 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -132:sc= -0.113 (180deg=-1.48) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= 1.1 (180deg=0.185) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00948 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.133 K(o=-0.13,f=-2!) USER MOD Single : A 52 ASN : amide:sc= -0.614 X(o=-0.61,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.00539 K(o=-0.0054,f=-0.94) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -137:sc= -0.842 (180deg=-3.01!) USER MOD Single : A 70 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.53) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.014) USER MOD Single : A 81 ASN : amide:sc=-0.00649 K(o=-0.0065,f=-1.4) USER MOD Single : A 83 THR OG1 : rot -42:sc= 0.463 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= -1.17 (180deg=-2.82!) USER MOD Single : A 96 THR OG1 : rot 15:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.533 8.319 6.632 1.00 24.13 N ATOM 437 CA GLU A 28 -5.490 8.501 5.180 1.00 65.10 C ATOM 438 C GLU A 28 -4.273 9.350 4.765 1.00 30.24 C ATOM 439 O GLU A 28 -3.565 8.990 3.822 1.00 24.41 O ATOM 440 CB GLU A 28 -6.787 9.150 4.660 1.00 22.45 C ATOM 441 CG GLU A 28 -6.866 9.257 3.124 1.00 63.25 C ATOM 442 CD GLU A 28 -8.183 9.853 2.645 1.00 42.21 C ATOM 443 OE1 GLU A 28 -8.193 11.003 2.161 1.00 11.44 O ATOM 444 OE2 GLU A 28 -9.221 9.185 2.772 1.00 12.52 O ATOM 0 HA GLU A 28 -5.395 7.512 4.731 1.00 65.10 H new ATOM 0 HB2 GLU A 28 -7.639 8.571 5.017 1.00 22.45 H new ATOM 0 HB3 GLU A 28 -6.878 10.148 5.088 1.00 22.45 H new ATOM 0 HG2 GLU A 28 -6.041 9.871 2.763 1.00 63.25 H new ATOM 0 HG3 GLU A 28 -6.740 8.266 2.688 1.00 63.25 H new ATOM 451 N ASN A 29 -4.022 10.468 5.497 1.00 54.10 N ATOM 452 CA ASN A 29 -2.948 11.421 5.143 1.00 35.33 C ATOM 453 C ASN A 29 -1.570 10.774 5.330 1.00 13.00 C ATOM 454 O ASN A 29 -0.673 10.970 4.512 1.00 73.44 O ATOM 455 CB ASN A 29 -3.024 12.734 5.971 1.00 62.33 C ATOM 456 CG ASN A 29 -4.258 13.587 5.674 1.00 53.22 C ATOM 457 OD1 ASN A 29 -4.941 13.403 4.669 1.00 72.43 O ATOM 458 ND2 ASN A 29 -4.518 14.563 6.520 1.00 5.52 N ATOM 0 H ASN A 29 -4.549 10.726 6.331 1.00 54.10 H new ATOM 0 HA ASN A 29 -3.093 11.681 4.094 1.00 35.33 H new ATOM 0 HB2 ASN A 29 -3.015 12.483 7.032 1.00 62.33 H new ATOM 0 HB3 ASN A 29 -2.130 13.326 5.776 1.00 62.33 H new ATOM 0 HD21 ASN A 29 -5.304 15.190 6.349 1.00 5.52 H new ATOM 0 HD22 ASN A 29 -3.933 14.691 7.346 1.00 5.52 H new ATOM 465 N GLU A 30 -1.438 9.973 6.404 1.00 71.33 N ATOM 466 CA GLU A 30 -0.173 9.297 6.757 1.00 51.34 C ATOM 467 C GLU A 30 0.105 8.152 5.782 1.00 42.34 C ATOM 468 O GLU A 30 1.245 7.965 5.345 1.00 41.01 O ATOM 469 CB GLU A 30 -0.194 8.764 8.216 1.00 34.14 C ATOM 470 CG GLU A 30 0.006 9.832 9.312 1.00 72.35 C ATOM 471 CD GLU A 30 0.043 9.200 10.706 1.00 74.30 C ATOM 472 OE1 GLU A 30 1.102 8.664 11.096 1.00 65.24 O ATOM 473 OE2 GLU A 30 -0.986 9.214 11.408 1.00 35.22 O ATOM 0 H GLU A 30 -2.202 9.776 7.050 1.00 71.33 H new ATOM 0 HA GLU A 30 0.627 10.034 6.684 1.00 51.34 H new ATOM 0 HB2 GLU A 30 -1.147 8.264 8.389 1.00 34.14 H new ATOM 0 HB3 GLU A 30 0.586 8.009 8.321 1.00 34.14 H new ATOM 0 HG2 GLU A 30 0.935 10.372 9.131 1.00 72.35 H new ATOM 0 HG3 GLU A 30 -0.802 10.562 9.263 1.00 72.35 H new ATOM 480 N LEU A 31 -0.967 7.424 5.423 1.00 65.12 N ATOM 481 CA LEU A 31 -0.869 6.261 4.485 1.00 24.12 C ATOM 482 C LEU A 31 -0.408 6.769 3.115 1.00 11.21 C ATOM 483 O LEU A 31 0.531 6.225 2.521 1.00 22.13 O ATOM 484 CB LEU A 31 -2.214 5.445 4.360 1.00 31.13 C ATOM 485 CG LEU A 31 -2.177 4.095 3.504 1.00 11.23 C ATOM 486 CD1 LEU A 31 -3.200 3.035 4.001 1.00 52.15 C ATOM 487 CD2 LEU A 31 -2.395 4.317 1.981 1.00 64.41 C ATOM 0 H LEU A 31 -1.912 7.609 5.759 1.00 65.12 H new ATOM 0 HA LEU A 31 -0.140 5.562 4.895 1.00 24.12 H new ATOM 0 HB2 LEU A 31 -2.553 5.197 5.366 1.00 31.13 H new ATOM 0 HB3 LEU A 31 -2.967 6.101 3.923 1.00 31.13 H new ATOM 0 HG LEU A 31 -1.166 3.719 3.658 1.00 11.23 H new ATOM 0 HD11 LEU A 31 -3.128 2.141 3.381 1.00 52.15 H new ATOM 0 HD12 LEU A 31 -2.982 2.777 5.037 1.00 52.15 H new ATOM 0 HD13 LEU A 31 -4.209 3.443 3.933 1.00 52.15 H new ATOM 0 HD21 LEU A 31 -2.357 3.358 1.464 1.00 64.41 H new ATOM 0 HD22 LEU A 31 -3.368 4.780 1.816 1.00 64.41 H new ATOM 0 HD23 LEU A 31 -1.613 4.969 1.593 1.00 64.41 H new ATOM 499 N ARG A 32 -1.057 7.856 2.652 1.00 34.30 N ATOM 500 CA ARG A 32 -0.876 8.354 1.296 1.00 43.13 C ATOM 501 C ARG A 32 0.447 9.136 1.152 1.00 62.02 C ATOM 502 O ARG A 32 1.076 9.099 0.090 1.00 72.12 O ATOM 503 CB ARG A 32 -2.099 9.199 0.845 1.00 3.54 C ATOM 504 CG ARG A 32 -2.144 9.410 -0.678 1.00 22.14 C ATOM 505 CD ARG A 32 -3.479 9.932 -1.204 1.00 44.24 C ATOM 506 NE ARG A 32 -3.456 9.980 -2.668 1.00 61.31 N ATOM 507 CZ ARG A 32 -4.527 9.933 -3.469 1.00 73.53 C ATOM 508 NH1 ARG A 32 -5.760 9.837 -2.978 1.00 35.22 N ATOM 509 NH2 ARG A 32 -4.349 9.980 -4.770 1.00 62.23 N ATOM 0 H ARG A 32 -1.713 8.401 3.211 1.00 34.30 H new ATOM 0 HA ARG A 32 -0.810 7.493 0.631 1.00 43.13 H new ATOM 0 HB2 ARG A 32 -3.016 8.705 1.167 1.00 3.54 H new ATOM 0 HB3 ARG A 32 -2.069 10.169 1.342 1.00 3.54 H new ATOM 0 HG2 ARG A 32 -1.358 10.111 -0.959 1.00 22.14 H new ATOM 0 HG3 ARG A 32 -1.918 8.464 -1.170 1.00 22.14 H new ATOM 0 HD2 ARG A 32 -4.290 9.287 -0.866 1.00 44.24 H new ATOM 0 HD3 ARG A 32 -3.674 10.926 -0.802 1.00 44.24 H new ATOM 0 HE ARG A 32 -2.543 10.056 -3.116 1.00 61.31 H new ATOM 0 HH11 ARG A 32 -5.906 9.798 -1.969 1.00 35.22 H new ATOM 0 HH12 ARG A 32 -6.560 9.803 -3.610 1.00 35.22 H new ATOM 0 HH21 ARG A 32 -3.407 10.051 -5.154 1.00 62.23 H new ATOM 0 HH22 ARG A 32 -5.153 9.945 -5.396 1.00 62.23 H new ATOM 523 N SER A 33 0.873 9.813 2.241 1.00 33.11 N ATOM 524 CA SER A 33 2.126 10.591 2.267 1.00 54.35 C ATOM 525 C SER A 33 3.355 9.663 2.187 1.00 72.14 C ATOM 526 O SER A 33 4.376 10.022 1.587 1.00 52.04 O ATOM 527 CB SER A 33 2.198 11.470 3.531 1.00 71.50 C ATOM 528 OG SER A 33 3.325 12.325 3.501 1.00 71.02 O ATOM 0 H SER A 33 0.359 9.834 3.122 1.00 33.11 H new ATOM 0 HA SER A 33 2.133 11.242 1.393 1.00 54.35 H new ATOM 0 HB2 SER A 33 1.289 12.066 3.614 1.00 71.50 H new ATOM 0 HB3 SER A 33 2.244 10.835 4.416 1.00 71.50 H new ATOM 0 HG SER A 33 3.343 12.871 4.315 1.00 71.02 H new ATOM 534 N MET A 34 3.241 8.458 2.784 1.00 5.42 N ATOM 535 CA MET A 34 4.325 7.449 2.753 1.00 53.15 C ATOM 536 C MET A 34 4.269 6.642 1.448 1.00 24.20 C ATOM 537 O MET A 34 5.315 6.237 0.915 1.00 53.12 O ATOM 538 CB MET A 34 4.267 6.499 3.987 1.00 11.23 C ATOM 539 CG MET A 34 4.487 7.169 5.357 1.00 23.11 C ATOM 540 SD MET A 34 4.575 5.968 6.699 1.00 35.21 S ATOM 541 CE MET A 34 2.946 5.213 6.663 1.00 12.23 C ATOM 0 H MET A 34 2.410 8.159 3.294 1.00 5.42 H new ATOM 0 HA MET A 34 5.274 7.984 2.797 1.00 53.15 H new ATOM 0 HB2 MET A 34 3.295 6.005 3.997 1.00 11.23 H new ATOM 0 HB3 MET A 34 5.019 5.721 3.859 1.00 11.23 H new ATOM 0 HG2 MET A 34 5.409 7.750 5.331 1.00 23.11 H new ATOM 0 HG3 MET A 34 3.674 7.869 5.551 1.00 23.11 H new ATOM 0 HE1 MET A 34 2.536 5.184 7.673 1.00 12.23 H new ATOM 0 HE2 MET A 34 2.288 5.798 6.021 1.00 12.23 H new ATOM 0 HE3 MET A 34 3.024 4.198 6.274 1.00 12.23 H new ATOM 551 N LEU A 35 3.043 6.430 0.916 1.00 53.34 N ATOM 552 CA LEU A 35 2.860 5.742 -0.394 1.00 62.13 C ATOM 553 C LEU A 35 3.427 6.653 -1.507 1.00 74.01 C ATOM 554 O LEU A 35 3.934 6.156 -2.506 1.00 2.44 O ATOM 555 CB LEU A 35 1.353 5.340 -0.655 1.00 44.13 C ATOM 556 CG LEU A 35 1.031 4.261 -1.776 1.00 73.50 C ATOM 557 CD1 LEU A 35 -0.326 3.568 -1.532 1.00 73.44 C ATOM 558 CD2 LEU A 35 1.050 4.863 -3.192 1.00 42.32 C ATOM 0 H LEU A 35 2.173 6.719 1.363 1.00 53.34 H new ATOM 0 HA LEU A 35 3.408 4.800 -0.387 1.00 62.13 H new ATOM 0 HB2 LEU A 35 0.942 4.972 0.285 1.00 44.13 H new ATOM 0 HB3 LEU A 35 0.808 6.250 -0.906 1.00 44.13 H new ATOM 0 HG LEU A 35 1.826 3.518 -1.708 1.00 73.50 H new ATOM 0 HD11 LEU A 35 -0.509 2.838 -2.320 1.00 73.44 H new ATOM 0 HD12 LEU A 35 -0.308 3.063 -0.566 1.00 73.44 H new ATOM 0 HD13 LEU A 35 -1.121 4.313 -1.537 1.00 73.44 H new ATOM 0 HD21 LEU A 35 0.824 4.085 -3.921 1.00 42.32 H new ATOM 0 HD22 LEU A 35 0.303 5.653 -3.261 1.00 42.32 H new ATOM 0 HD23 LEU A 35 2.037 5.278 -3.398 1.00 42.32 H new ATOM 570 N ALA A 36 3.378 7.986 -1.272 1.00 30.51 N ATOM 571 CA ALA A 36 3.992 9.000 -2.144 1.00 3.02 C ATOM 572 C ALA A 36 5.497 8.751 -2.307 1.00 35.44 C ATOM 573 O ALA A 36 5.999 8.691 -3.429 1.00 52.32 O ATOM 574 CB ALA A 36 3.758 10.406 -1.575 1.00 52.44 C ATOM 0 H ALA A 36 2.905 8.385 -0.462 1.00 30.51 H new ATOM 0 HA ALA A 36 3.522 8.926 -3.124 1.00 3.02 H new ATOM 0 HB1 ALA A 36 4.218 11.145 -2.231 1.00 52.44 H new ATOM 0 HB2 ALA A 36 2.687 10.597 -1.507 1.00 52.44 H new ATOM 0 HB3 ALA A 36 4.203 10.475 -0.582 1.00 52.44 H new ATOM 580 N THR A 37 6.193 8.583 -1.161 1.00 44.44 N ATOM 581 CA THR A 37 7.635 8.290 -1.126 1.00 24.53 C ATOM 582 C THR A 37 7.937 6.945 -1.825 1.00 60.14 C ATOM 583 O THR A 37 8.921 6.825 -2.567 1.00 2.52 O ATOM 584 CB THR A 37 8.171 8.262 0.338 1.00 54.25 C ATOM 585 OG1 THR A 37 7.796 9.473 1.005 1.00 62.00 O ATOM 586 CG2 THR A 37 9.701 8.112 0.392 1.00 11.12 C ATOM 0 H THR A 37 5.767 8.648 -0.237 1.00 44.44 H new ATOM 0 HA THR A 37 8.146 9.089 -1.663 1.00 24.53 H new ATOM 0 HB THR A 37 7.731 7.396 0.833 1.00 54.25 H new ATOM 0 HG1 THR A 37 8.131 9.456 1.926 1.00 62.00 H new ATOM 0 HG21 THR A 37 10.029 8.097 1.431 1.00 11.12 H new ATOM 0 HG22 THR A 37 9.993 7.181 -0.094 1.00 11.12 H new ATOM 0 HG23 THR A 37 10.167 8.952 -0.124 1.00 11.12 H new ATOM 594 N ALA A 38 7.056 5.959 -1.589 1.00 63.34 N ATOM 595 CA ALA A 38 7.159 4.619 -2.189 1.00 2.45 C ATOM 596 C ALA A 38 6.914 4.648 -3.720 1.00 74.00 C ATOM 597 O ALA A 38 7.425 3.787 -4.442 1.00 43.25 O ATOM 598 CB ALA A 38 6.195 3.659 -1.480 1.00 73.33 C ATOM 0 H ALA A 38 6.249 6.070 -0.974 1.00 63.34 H new ATOM 0 HA ALA A 38 8.178 4.258 -2.049 1.00 2.45 H new ATOM 0 HB1 ALA A 38 6.274 2.668 -1.927 1.00 73.33 H new ATOM 0 HB2 ALA A 38 6.451 3.601 -0.422 1.00 73.33 H new ATOM 0 HB3 ALA A 38 5.174 4.025 -1.586 1.00 73.33 H new ATOM 604 N LEU A 39 6.147 5.653 -4.216 1.00 11.14 N ATOM 605 CA LEU A 39 5.975 5.872 -5.673 1.00 21.51 C ATOM 606 C LEU A 39 7.257 6.476 -6.269 1.00 34.34 C ATOM 607 O LEU A 39 7.648 6.125 -7.387 1.00 3.34 O ATOM 608 CB LEU A 39 4.760 6.803 -6.020 1.00 14.05 C ATOM 609 CG LEU A 39 3.309 6.338 -5.630 1.00 52.24 C ATOM 610 CD1 LEU A 39 2.275 7.440 -5.932 1.00 41.02 C ATOM 611 CD2 LEU A 39 2.885 5.001 -6.304 1.00 73.12 C ATOM 0 H LEU A 39 5.642 6.319 -3.632 1.00 11.14 H new ATOM 0 HA LEU A 39 5.770 4.894 -6.109 1.00 21.51 H new ATOM 0 HB2 LEU A 39 4.937 7.767 -5.542 1.00 14.05 H new ATOM 0 HB3 LEU A 39 4.773 6.974 -7.096 1.00 14.05 H new ATOM 0 HG LEU A 39 3.335 6.152 -4.556 1.00 52.24 H new ATOM 0 HD11 LEU A 39 1.280 7.092 -5.653 1.00 41.02 H new ATOM 0 HD12 LEU A 39 2.520 8.335 -5.360 1.00 41.02 H new ATOM 0 HD13 LEU A 39 2.292 7.673 -6.997 1.00 41.02 H new ATOM 0 HD21 LEU A 39 1.874 4.740 -5.991 1.00 73.12 H new ATOM 0 HD22 LEU A 39 2.911 5.116 -7.388 1.00 73.12 H new ATOM 0 HD23 LEU A 39 3.573 4.209 -6.006 1.00 73.12 H new ATOM 623 N GLU A 40 7.886 7.393 -5.519 1.00 14.43 N ATOM 624 CA GLU A 40 9.110 8.086 -5.970 1.00 45.31 C ATOM 625 C GLU A 40 10.331 7.153 -5.937 1.00 73.44 C ATOM 626 O GLU A 40 11.290 7.359 -6.688 1.00 11.01 O ATOM 627 CB GLU A 40 9.368 9.364 -5.122 1.00 33.43 C ATOM 628 CG GLU A 40 8.205 10.382 -5.117 1.00 14.03 C ATOM 629 CD GLU A 40 7.746 10.811 -6.516 1.00 52.40 C ATOM 630 OE1 GLU A 40 8.384 11.699 -7.114 1.00 15.54 O ATOM 631 OE2 GLU A 40 6.748 10.264 -7.026 1.00 1.31 O ATOM 0 H GLU A 40 7.568 7.676 -4.592 1.00 14.43 H new ATOM 0 HA GLU A 40 8.954 8.388 -7.006 1.00 45.31 H new ATOM 0 HB2 GLU A 40 9.576 9.066 -4.094 1.00 33.43 H new ATOM 0 HB3 GLU A 40 10.264 9.858 -5.498 1.00 33.43 H new ATOM 0 HG2 GLU A 40 7.358 9.948 -4.585 1.00 14.03 H new ATOM 0 HG3 GLU A 40 8.512 11.267 -4.559 1.00 14.03 H new ATOM 638 N LYS A 41 10.300 6.135 -5.061 1.00 63.33 N ATOM 639 CA LYS A 41 11.366 5.125 -4.988 1.00 42.23 C ATOM 640 C LYS A 41 11.065 3.951 -5.926 1.00 61.22 C ATOM 641 O LYS A 41 9.903 3.648 -6.189 1.00 11.21 O ATOM 642 CB LYS A 41 11.548 4.612 -3.548 1.00 33.03 C ATOM 643 CG LYS A 41 12.105 5.661 -2.560 1.00 5.23 C ATOM 644 CD LYS A 41 12.634 4.977 -1.250 1.00 34.33 C ATOM 645 CE LYS A 41 13.334 5.880 -0.169 1.00 10.45 C ATOM 646 NZ LYS A 41 13.663 5.084 1.048 1.00 53.23 N ATOM 0 H LYS A 41 9.544 5.991 -4.391 1.00 63.33 H new ATOM 0 HA LYS A 41 12.294 5.601 -5.304 1.00 42.23 H new ATOM 0 HB2 LYS A 41 10.586 4.257 -3.178 1.00 33.03 H new ATOM 0 HB3 LYS A 41 12.220 3.754 -3.564 1.00 33.03 H new ATOM 0 HG2 LYS A 41 12.912 6.219 -3.034 1.00 5.23 H new ATOM 0 HG3 LYS A 41 11.325 6.380 -2.309 1.00 5.23 H new ATOM 0 HD2 LYS A 41 11.791 4.478 -0.772 1.00 34.33 H new ATOM 0 HD3 LYS A 41 13.340 4.200 -1.542 1.00 34.33 H new ATOM 0 HE2 LYS A 41 14.244 6.313 -0.584 1.00 10.45 H new ATOM 0 HE3 LYS A 41 12.679 6.710 0.099 1.00 10.45 H new ATOM 0 HZ1 LYS A 41 13.536 5.675 1.894 1.00 53.23 H new ATOM 0 HZ2 LYS A 41 13.032 4.259 1.104 1.00 53.23 H new ATOM 0 HZ3 LYS A 41 14.650 4.762 0.996 1.00 53.23 H new ATOM 660 N ASP A 42 12.140 3.279 -6.377 1.00 1.22 N ATOM 661 CA ASP A 42 12.063 2.159 -7.335 1.00 74.31 C ATOM 662 C ASP A 42 11.580 0.876 -6.626 1.00 30.53 C ATOM 663 O ASP A 42 12.360 0.188 -5.960 1.00 2.32 O ATOM 664 CB ASP A 42 13.448 1.919 -8.008 1.00 41.32 C ATOM 665 CG ASP A 42 13.936 3.114 -8.832 1.00 34.25 C ATOM 666 OD1 ASP A 42 13.633 3.185 -10.036 1.00 20.35 O ATOM 667 OD2 ASP A 42 14.610 4.000 -8.278 1.00 12.10 O ATOM 0 H ASP A 42 13.093 3.499 -6.086 1.00 1.22 H new ATOM 0 HA ASP A 42 11.343 2.419 -8.111 1.00 74.31 H new ATOM 0 HB2 ASP A 42 14.185 1.693 -7.237 1.00 41.32 H new ATOM 0 HB3 ASP A 42 13.384 1.043 -8.654 1.00 41.32 H new ATOM 672 N ILE A 43 10.279 0.589 -6.742 1.00 50.33 N ATOM 673 CA ILE A 43 9.656 -0.600 -6.118 1.00 2.10 C ATOM 674 C ILE A 43 9.432 -1.707 -7.181 1.00 73.34 C ATOM 675 O ILE A 43 9.457 -1.427 -8.388 1.00 3.24 O ATOM 676 CB ILE A 43 8.322 -0.213 -5.370 1.00 34.34 C ATOM 677 CG1 ILE A 43 7.276 0.442 -6.319 1.00 42.42 C ATOM 678 CG2 ILE A 43 8.624 0.716 -4.167 1.00 54.00 C ATOM 679 CD1 ILE A 43 6.022 0.944 -5.618 1.00 24.42 C ATOM 0 H ILE A 43 9.624 1.168 -7.268 1.00 50.33 H new ATOM 0 HA ILE A 43 10.334 -0.999 -5.364 1.00 2.10 H new ATOM 0 HB ILE A 43 7.881 -1.140 -5.002 1.00 34.34 H new ATOM 0 HG12 ILE A 43 7.747 1.277 -6.838 1.00 42.42 H new ATOM 0 HG13 ILE A 43 6.987 -0.284 -7.079 1.00 42.42 H new ATOM 0 HG21 ILE A 43 7.692 0.973 -3.663 1.00 54.00 H new ATOM 0 HG22 ILE A 43 9.285 0.203 -3.468 1.00 54.00 H new ATOM 0 HG23 ILE A 43 9.107 1.626 -4.522 1.00 54.00 H new ATOM 0 HD11 ILE A 43 5.347 1.385 -6.351 1.00 24.42 H new ATOM 0 HD12 ILE A 43 5.524 0.111 -5.122 1.00 24.42 H new ATOM 0 HD13 ILE A 43 6.295 1.696 -4.878 1.00 24.42 H new ATOM 691 N SER A 44 9.242 -2.965 -6.720 1.00 41.15 N ATOM 692 CA SER A 44 9.090 -4.166 -7.597 1.00 44.24 C ATOM 693 C SER A 44 7.776 -4.083 -8.413 1.00 11.34 C ATOM 694 O SER A 44 6.838 -3.431 -7.968 1.00 72.05 O ATOM 695 CB SER A 44 9.169 -5.451 -6.710 1.00 24.33 C ATOM 696 OG SER A 44 8.265 -5.402 -5.625 1.00 14.23 O ATOM 0 H SER A 44 9.188 -3.184 -5.725 1.00 41.15 H new ATOM 0 HA SER A 44 9.899 -4.207 -8.326 1.00 44.24 H new ATOM 0 HB2 SER A 44 8.954 -6.327 -7.322 1.00 24.33 H new ATOM 0 HB3 SER A 44 10.184 -5.568 -6.331 1.00 24.33 H new ATOM 0 HG SER A 44 8.344 -6.223 -5.096 1.00 14.23 H new ATOM 702 N GLN A 45 7.738 -4.712 -9.625 1.00 55.33 N ATOM 703 CA GLN A 45 6.576 -4.651 -10.548 1.00 72.42 C ATOM 704 C GLN A 45 5.204 -4.916 -9.858 1.00 20.43 C ATOM 705 O GLN A 45 4.228 -4.198 -10.115 1.00 73.10 O ATOM 706 CB GLN A 45 6.778 -5.619 -11.762 1.00 3.52 C ATOM 707 CG GLN A 45 5.614 -5.640 -12.780 1.00 54.12 C ATOM 708 CD GLN A 45 5.934 -6.424 -14.052 1.00 25.41 C ATOM 709 OE1 GLN A 45 5.659 -7.617 -14.161 1.00 43.11 O ATOM 710 NE2 GLN A 45 6.551 -5.755 -15.013 1.00 5.50 N ATOM 0 H GLN A 45 8.512 -5.272 -9.983 1.00 55.33 H new ATOM 0 HA GLN A 45 6.538 -3.622 -10.906 1.00 72.42 H new ATOM 0 HB2 GLN A 45 7.693 -5.337 -12.284 1.00 3.52 H new ATOM 0 HB3 GLN A 45 6.926 -6.629 -11.381 1.00 3.52 H new ATOM 0 HG2 GLN A 45 4.734 -6.075 -12.306 1.00 54.12 H new ATOM 0 HG3 GLN A 45 5.358 -4.615 -13.049 1.00 54.12 H new ATOM 0 HE21 GLN A 45 6.764 -4.765 -14.889 1.00 5.50 H new ATOM 0 HE22 GLN A 45 6.813 -6.229 -15.877 1.00 5.50 H new ATOM 719 N GLU A 46 5.165 -5.907 -8.949 1.00 31.24 N ATOM 720 CA GLU A 46 3.919 -6.358 -8.291 1.00 63.31 C ATOM 721 C GLU A 46 3.540 -5.404 -7.134 1.00 53.25 C ATOM 722 O GLU A 46 2.373 -5.309 -6.742 1.00 41.13 O ATOM 723 CB GLU A 46 4.077 -7.815 -7.752 1.00 20.04 C ATOM 724 CG GLU A 46 4.377 -8.909 -8.813 1.00 71.50 C ATOM 725 CD GLU A 46 5.733 -8.762 -9.524 1.00 14.41 C ATOM 726 OE1 GLU A 46 6.760 -8.552 -8.831 1.00 51.23 O ATOM 727 OE2 GLU A 46 5.792 -8.837 -10.773 1.00 73.10 O ATOM 0 H GLU A 46 5.994 -6.419 -8.648 1.00 31.24 H new ATOM 0 HA GLU A 46 3.120 -6.345 -9.033 1.00 63.31 H new ATOM 0 HB2 GLU A 46 4.880 -7.823 -7.015 1.00 20.04 H new ATOM 0 HB3 GLU A 46 3.161 -8.088 -7.228 1.00 20.04 H new ATOM 0 HG2 GLU A 46 4.340 -9.885 -8.329 1.00 71.50 H new ATOM 0 HG3 GLU A 46 3.586 -8.895 -9.563 1.00 71.50 H new ATOM 734 N GLU A 47 4.558 -4.702 -6.614 1.00 21.23 N ATOM 735 CA GLU A 47 4.432 -3.758 -5.483 1.00 75.20 C ATOM 736 C GLU A 47 3.924 -2.391 -6.007 1.00 13.13 C ATOM 737 O GLU A 47 3.088 -1.744 -5.379 1.00 44.33 O ATOM 738 CB GLU A 47 5.825 -3.665 -4.780 1.00 22.23 C ATOM 739 CG GLU A 47 5.964 -2.756 -3.540 1.00 2.13 C ATOM 740 CD GLU A 47 7.357 -2.874 -2.858 1.00 44.11 C ATOM 741 OE1 GLU A 47 7.447 -2.788 -1.612 1.00 45.42 O ATOM 742 OE2 GLU A 47 8.368 -3.082 -3.575 1.00 10.45 O ATOM 0 H GLU A 47 5.511 -4.773 -6.971 1.00 21.23 H new ATOM 0 HA GLU A 47 3.703 -4.099 -4.748 1.00 75.20 H new ATOM 0 HB2 GLU A 47 6.116 -4.673 -4.486 1.00 22.23 H new ATOM 0 HB3 GLU A 47 6.549 -3.327 -5.522 1.00 22.23 H new ATOM 0 HG2 GLU A 47 5.795 -1.720 -3.834 1.00 2.13 H new ATOM 0 HG3 GLU A 47 5.189 -3.013 -2.818 1.00 2.13 H new ATOM 749 N ARG A 48 4.433 -2.002 -7.203 1.00 2.50 N ATOM 750 CA ARG A 48 3.913 -0.880 -8.024 1.00 14.12 C ATOM 751 C ARG A 48 2.436 -1.125 -8.355 1.00 24.44 C ATOM 752 O ARG A 48 1.600 -0.247 -8.161 1.00 70.03 O ATOM 753 CB ARG A 48 4.772 -0.749 -9.318 1.00 53.45 C ATOM 754 CG ARG A 48 4.176 0.125 -10.457 1.00 72.24 C ATOM 755 CD ARG A 48 4.057 1.616 -10.112 1.00 61.32 C ATOM 756 NE ARG A 48 3.497 2.412 -11.214 1.00 55.14 N ATOM 757 CZ ARG A 48 3.437 3.753 -11.224 1.00 15.33 C ATOM 758 NH1 ARG A 48 3.899 4.467 -10.199 1.00 55.13 N ATOM 759 NH2 ARG A 48 2.896 4.371 -12.258 1.00 25.30 N ATOM 0 H ARG A 48 5.232 -2.469 -7.632 1.00 2.50 H new ATOM 0 HA ARG A 48 3.983 0.056 -7.469 1.00 14.12 H new ATOM 0 HB2 ARG A 48 5.743 -0.337 -9.043 1.00 53.45 H new ATOM 0 HB3 ARG A 48 4.950 -1.749 -9.713 1.00 53.45 H new ATOM 0 HG2 ARG A 48 4.799 0.018 -11.345 1.00 72.24 H new ATOM 0 HG3 ARG A 48 3.188 -0.257 -10.713 1.00 72.24 H new ATOM 0 HD2 ARG A 48 3.427 1.731 -9.230 1.00 61.32 H new ATOM 0 HD3 ARG A 48 5.042 2.004 -9.853 1.00 61.32 H new ATOM 0 HE ARG A 48 3.130 1.913 -12.024 1.00 55.14 H new ATOM 0 HH11 ARG A 48 4.306 3.995 -9.391 1.00 55.13 H new ATOM 0 HH12 ARG A 48 3.846 5.485 -10.222 1.00 55.13 H new ATOM 0 HH21 ARG A 48 2.528 3.830 -13.040 1.00 25.30 H new ATOM 0 HH22 ARG A 48 2.846 5.390 -12.274 1.00 25.30 H new ATOM 773 N ASN A 49 2.149 -2.353 -8.826 1.00 50.41 N ATOM 774 CA ASN A 49 0.797 -2.798 -9.195 1.00 51.21 C ATOM 775 C ASN A 49 -0.174 -2.647 -7.997 1.00 32.42 C ATOM 776 O ASN A 49 -1.246 -2.051 -8.139 1.00 61.31 O ATOM 777 CB ASN A 49 0.876 -4.269 -9.691 1.00 43.30 C ATOM 778 CG ASN A 49 -0.410 -4.825 -10.311 1.00 1.14 C ATOM 779 OD1 ASN A 49 -1.516 -4.447 -9.952 1.00 32.14 O ATOM 780 ND2 ASN A 49 -0.268 -5.752 -11.238 1.00 60.12 N ATOM 0 H ASN A 49 2.860 -3.071 -8.962 1.00 50.41 H new ATOM 0 HA ASN A 49 0.405 -2.175 -9.999 1.00 51.21 H new ATOM 0 HB2 ASN A 49 1.676 -4.343 -10.428 1.00 43.30 H new ATOM 0 HB3 ASN A 49 1.157 -4.903 -8.850 1.00 43.30 H new ATOM 0 HD21 ASN A 49 -1.091 -6.170 -11.672 1.00 60.12 H new ATOM 0 HD22 ASN A 49 0.665 -6.051 -11.521 1.00 60.12 H new ATOM 787 N ALA A 50 0.250 -3.149 -6.824 1.00 12.33 N ATOM 788 CA ALA A 50 -0.550 -3.132 -5.588 1.00 3.15 C ATOM 789 C ALA A 50 -0.864 -1.700 -5.095 1.00 43.43 C ATOM 790 O ALA A 50 -2.024 -1.392 -4.783 1.00 61.41 O ATOM 791 CB ALA A 50 0.177 -3.927 -4.500 1.00 30.33 C ATOM 0 H ALA A 50 1.166 -3.582 -6.707 1.00 12.33 H new ATOM 0 HA ALA A 50 -1.510 -3.597 -5.812 1.00 3.15 H new ATOM 0 HB1 ALA A 50 -0.414 -3.915 -3.584 1.00 30.33 H new ATOM 0 HB2 ALA A 50 0.313 -4.957 -4.831 1.00 30.33 H new ATOM 0 HB3 ALA A 50 1.151 -3.476 -4.309 1.00 30.33 H new ATOM 797 N LEU A 51 0.171 -0.828 -5.028 1.00 12.44 N ATOM 798 CA LEU A 51 0.010 0.559 -4.529 1.00 3.01 C ATOM 799 C LEU A 51 -0.760 1.444 -5.537 1.00 15.15 C ATOM 800 O LEU A 51 -1.393 2.430 -5.133 1.00 61.20 O ATOM 801 CB LEU A 51 1.387 1.210 -4.168 1.00 74.52 C ATOM 802 CG LEU A 51 2.310 0.489 -3.107 1.00 22.32 C ATOM 803 CD1 LEU A 51 3.589 1.314 -2.845 1.00 12.14 C ATOM 804 CD2 LEU A 51 1.599 0.186 -1.759 1.00 24.23 C ATOM 0 H LEU A 51 1.123 -1.060 -5.312 1.00 12.44 H new ATOM 0 HA LEU A 51 -0.581 0.495 -3.616 1.00 3.01 H new ATOM 0 HB2 LEU A 51 1.958 1.309 -5.091 1.00 74.52 H new ATOM 0 HB3 LEU A 51 1.191 2.219 -3.805 1.00 74.52 H new ATOM 0 HG LEU A 51 2.568 -0.473 -3.549 1.00 22.32 H new ATOM 0 HD11 LEU A 51 4.210 0.800 -2.112 1.00 12.14 H new ATOM 0 HD12 LEU A 51 4.145 1.428 -3.775 1.00 12.14 H new ATOM 0 HD13 LEU A 51 3.316 2.298 -2.463 1.00 12.14 H new ATOM 0 HD21 LEU A 51 2.296 -0.309 -1.083 1.00 24.23 H new ATOM 0 HD22 LEU A 51 1.258 1.119 -1.310 1.00 24.23 H new ATOM 0 HD23 LEU A 51 0.743 -0.465 -1.937 1.00 24.23 H new ATOM 816 N ASN A 52 -0.701 1.090 -6.840 1.00 51.31 N ATOM 817 CA ASN A 52 -1.520 1.738 -7.888 1.00 74.43 C ATOM 818 C ASN A 52 -3.004 1.376 -7.701 1.00 54.24 C ATOM 819 O ASN A 52 -3.861 2.262 -7.739 1.00 52.22 O ATOM 820 CB ASN A 52 -1.045 1.371 -9.324 1.00 73.52 C ATOM 821 CG ASN A 52 0.205 2.130 -9.774 1.00 74.44 C ATOM 822 OD1 ASN A 52 1.048 2.518 -8.966 1.00 0.11 O ATOM 823 ND2 ASN A 52 0.323 2.347 -11.071 1.00 1.41 N ATOM 0 H ASN A 52 -0.090 0.353 -7.193 1.00 51.31 H new ATOM 0 HA ASN A 52 -1.395 2.815 -7.778 1.00 74.43 H new ATOM 0 HB2 ASN A 52 -0.844 0.301 -9.368 1.00 73.52 H new ATOM 0 HB3 ASN A 52 -1.854 1.572 -10.027 1.00 73.52 H new ATOM 0 HD21 ASN A 52 1.133 2.851 -11.432 1.00 1.41 H new ATOM 0 HD22 ASN A 52 -0.396 2.011 -11.712 1.00 1.41 H new ATOM 830 N ILE A 53 -3.282 0.070 -7.459 1.00 54.23 N ATOM 831 CA ILE A 53 -4.652 -0.445 -7.191 1.00 62.43 C ATOM 832 C ILE A 53 -5.237 0.271 -5.956 1.00 34.30 C ATOM 833 O ILE A 53 -6.409 0.674 -5.948 1.00 22.10 O ATOM 834 CB ILE A 53 -4.673 -2.017 -6.955 1.00 4.14 C ATOM 835 CG1 ILE A 53 -4.367 -2.795 -8.277 1.00 54.24 C ATOM 836 CG2 ILE A 53 -6.010 -2.506 -6.317 1.00 70.24 C ATOM 837 CD1 ILE A 53 -4.320 -4.312 -8.137 1.00 31.23 C ATOM 0 H ILE A 53 -2.565 -0.656 -7.444 1.00 54.23 H new ATOM 0 HA ILE A 53 -5.258 -0.240 -8.073 1.00 62.43 H new ATOM 0 HB ILE A 53 -3.880 -2.235 -6.240 1.00 4.14 H new ATOM 0 HG12 ILE A 53 -5.125 -2.537 -9.016 1.00 54.24 H new ATOM 0 HG13 ILE A 53 -3.410 -2.452 -8.669 1.00 54.24 H new ATOM 0 HG21 ILE A 53 -5.973 -3.586 -6.177 1.00 70.24 H new ATOM 0 HG22 ILE A 53 -6.152 -2.020 -5.352 1.00 70.24 H new ATOM 0 HG23 ILE A 53 -6.841 -2.254 -6.976 1.00 70.24 H new ATOM 0 HD11 ILE A 53 -4.102 -4.760 -9.106 1.00 31.23 H new ATOM 0 HD12 ILE A 53 -3.541 -4.588 -7.426 1.00 31.23 H new ATOM 0 HD13 ILE A 53 -5.283 -4.674 -7.778 1.00 31.23 H new ATOM 849 N ALA A 54 -4.368 0.454 -4.952 1.00 42.44 N ATOM 850 CA ALA A 54 -4.720 1.061 -3.669 1.00 13.24 C ATOM 851 C ALA A 54 -5.129 2.531 -3.860 1.00 51.24 C ATOM 852 O ALA A 54 -6.255 2.902 -3.523 1.00 25.33 O ATOM 853 CB ALA A 54 -3.552 0.929 -2.686 1.00 24.44 C ATOM 0 H ALA A 54 -3.388 0.179 -5.013 1.00 42.44 H new ATOM 0 HA ALA A 54 -5.577 0.533 -3.251 1.00 13.24 H new ATOM 0 HB1 ALA A 54 -3.825 1.384 -1.734 1.00 24.44 H new ATOM 0 HB2 ALA A 54 -3.324 -0.126 -2.532 1.00 24.44 H new ATOM 0 HB3 ALA A 54 -2.676 1.434 -3.092 1.00 24.44 H new ATOM 859 N GLU A 55 -4.228 3.331 -4.480 1.00 23.00 N ATOM 860 CA GLU A 55 -4.401 4.790 -4.607 1.00 54.21 C ATOM 861 C GLU A 55 -5.569 5.152 -5.534 1.00 41.32 C ATOM 862 O GLU A 55 -6.378 6.019 -5.183 1.00 35.53 O ATOM 863 CB GLU A 55 -3.094 5.484 -5.071 1.00 42.35 C ATOM 864 CG GLU A 55 -3.254 6.989 -5.405 1.00 23.14 C ATOM 865 CD GLU A 55 -1.949 7.718 -5.731 1.00 23.22 C ATOM 866 OE1 GLU A 55 -1.692 8.807 -5.162 1.00 41.35 O ATOM 867 OE2 GLU A 55 -1.182 7.226 -6.579 1.00 61.31 O ATOM 0 H GLU A 55 -3.368 2.981 -4.902 1.00 23.00 H new ATOM 0 HA GLU A 55 -4.643 5.163 -3.612 1.00 54.21 H new ATOM 0 HB2 GLU A 55 -2.342 5.375 -4.290 1.00 42.35 H new ATOM 0 HB3 GLU A 55 -2.715 4.967 -5.952 1.00 42.35 H new ATOM 0 HG2 GLU A 55 -3.931 7.088 -6.254 1.00 23.14 H new ATOM 0 HG3 GLU A 55 -3.729 7.486 -4.559 1.00 23.14 H new ATOM 874 N LYS A 56 -5.665 4.470 -6.700 1.00 41.23 N ATOM 875 CA LYS A 56 -6.743 4.731 -7.679 1.00 22.25 C ATOM 876 C LYS A 56 -8.127 4.497 -7.036 1.00 54.03 C ATOM 877 O LYS A 56 -9.100 5.187 -7.351 1.00 45.32 O ATOM 878 CB LYS A 56 -6.573 3.886 -8.979 1.00 13.10 C ATOM 879 CG LYS A 56 -6.944 2.384 -8.885 1.00 11.31 C ATOM 880 CD LYS A 56 -6.711 1.626 -10.216 1.00 53.11 C ATOM 881 CE LYS A 56 -5.235 1.595 -10.643 1.00 45.24 C ATOM 882 NZ LYS A 56 -5.034 0.969 -11.976 1.00 51.02 N ATOM 0 H LYS A 56 -5.012 3.739 -6.983 1.00 41.23 H new ATOM 0 HA LYS A 56 -6.672 5.778 -7.974 1.00 22.25 H new ATOM 0 HB2 LYS A 56 -7.182 4.339 -9.761 1.00 13.10 H new ATOM 0 HB3 LYS A 56 -5.534 3.961 -9.300 1.00 13.10 H new ATOM 0 HG2 LYS A 56 -6.353 1.917 -8.097 1.00 11.31 H new ATOM 0 HG3 LYS A 56 -7.991 2.290 -8.597 1.00 11.31 H new ATOM 0 HD2 LYS A 56 -7.075 0.604 -10.113 1.00 53.11 H new ATOM 0 HD3 LYS A 56 -7.301 2.096 -11.003 1.00 53.11 H new ATOM 0 HE2 LYS A 56 -4.846 2.613 -10.662 1.00 45.24 H new ATOM 0 HE3 LYS A 56 -4.658 1.047 -9.898 1.00 45.24 H new ATOM 0 HZ1 LYS A 56 -4.021 0.975 -12.213 1.00 51.02 H new ATOM 0 HZ2 LYS A 56 -5.379 -0.012 -11.954 1.00 51.02 H new ATOM 0 HZ3 LYS A 56 -5.561 1.505 -12.694 1.00 51.02 H new ATOM 896 N ALA A 57 -8.171 3.541 -6.098 1.00 61.34 N ATOM 897 CA ALA A 57 -9.374 3.205 -5.349 1.00 3.11 C ATOM 898 C ALA A 57 -9.613 4.198 -4.184 1.00 41.20 C ATOM 899 O ALA A 57 -10.763 4.428 -3.815 1.00 45.41 O ATOM 900 CB ALA A 57 -9.284 1.766 -4.851 1.00 64.03 C ATOM 0 H ALA A 57 -7.361 2.978 -5.841 1.00 61.34 H new ATOM 0 HA ALA A 57 -10.234 3.289 -6.013 1.00 3.11 H new ATOM 0 HB1 ALA A 57 -10.186 1.518 -4.291 1.00 64.03 H new ATOM 0 HB2 ALA A 57 -9.188 1.092 -5.702 1.00 64.03 H new ATOM 0 HB3 ALA A 57 -8.414 1.659 -4.204 1.00 64.03 H new ATOM 906 N LEU A 58 -8.523 4.782 -3.599 1.00 42.14 N ATOM 907 CA LEU A 58 -8.649 5.861 -2.568 1.00 11.20 C ATOM 908 C LEU A 58 -9.352 7.087 -3.202 1.00 25.41 C ATOM 909 O LEU A 58 -10.209 7.713 -2.576 1.00 20.13 O ATOM 910 CB LEU A 58 -7.261 6.335 -1.967 1.00 15.14 C ATOM 911 CG LEU A 58 -6.213 5.248 -1.381 1.00 33.44 C ATOM 912 CD1 LEU A 58 -4.918 5.882 -0.778 1.00 33.15 C ATOM 913 CD2 LEU A 58 -6.794 4.222 -0.345 1.00 23.21 C ATOM 0 H LEU A 58 -7.560 4.528 -3.820 1.00 42.14 H new ATOM 0 HA LEU A 58 -9.227 5.438 -1.747 1.00 11.20 H new ATOM 0 HB2 LEU A 58 -6.745 6.893 -2.748 1.00 15.14 H new ATOM 0 HB3 LEU A 58 -7.480 7.038 -1.164 1.00 15.14 H new ATOM 0 HG LEU A 58 -5.964 4.690 -2.284 1.00 33.44 H new ATOM 0 HD11 LEU A 58 -4.265 5.092 -0.406 1.00 33.15 H new ATOM 0 HD12 LEU A 58 -4.398 6.450 -1.549 1.00 33.15 H new ATOM 0 HD13 LEU A 58 -5.187 6.547 0.043 1.00 33.15 H new ATOM 0 HD21 LEU A 58 -6.004 3.544 -0.022 1.00 23.21 H new ATOM 0 HD22 LEU A 58 -7.187 4.759 0.518 1.00 23.21 H new ATOM 0 HD23 LEU A 58 -7.595 3.649 -0.811 1.00 23.21 H new ATOM 925 N ASP A 59 -8.979 7.390 -4.460 1.00 75.15 N ATOM 926 CA ASP A 59 -9.545 8.519 -5.236 1.00 42.21 C ATOM 927 C ASP A 59 -10.981 8.244 -5.686 1.00 72.34 C ATOM 928 O ASP A 59 -11.767 9.176 -5.861 1.00 22.40 O ATOM 929 CB ASP A 59 -8.683 8.825 -6.480 1.00 11.24 C ATOM 930 CG ASP A 59 -7.286 9.329 -6.123 1.00 31.43 C ATOM 931 OD1 ASP A 59 -7.176 10.422 -5.532 1.00 71.05 O ATOM 932 OD2 ASP A 59 -6.290 8.662 -6.445 1.00 42.11 O ATOM 0 H ASP A 59 -8.274 6.859 -4.972 1.00 75.15 H new ATOM 0 HA ASP A 59 -9.547 9.380 -4.568 1.00 42.21 H new ATOM 0 HB2 ASP A 59 -8.595 7.923 -7.086 1.00 11.24 H new ATOM 0 HB3 ASP A 59 -9.188 9.572 -7.092 1.00 11.24 H new ATOM 937 N ASN A 60 -11.293 6.958 -5.931 1.00 64.32 N ATOM 938 CA ASN A 60 -12.669 6.511 -6.247 1.00 75.13 C ATOM 939 C ASN A 60 -13.457 6.241 -4.954 1.00 1.03 C ATOM 940 O ASN A 60 -14.666 6.006 -5.010 1.00 41.43 O ATOM 941 CB ASN A 60 -12.657 5.267 -7.188 1.00 52.22 C ATOM 942 CG ASN A 60 -12.085 5.581 -8.566 1.00 45.21 C ATOM 943 OD1 ASN A 60 -12.181 6.710 -9.049 1.00 12.21 O ATOM 944 ND2 ASN A 60 -11.510 4.591 -9.218 1.00 15.34 N ATOM 0 H ASN A 60 -10.608 6.203 -5.917 1.00 64.32 H new ATOM 0 HA ASN A 60 -13.176 7.312 -6.785 1.00 75.13 H new ATOM 0 HB2 ASN A 60 -12.070 4.473 -6.727 1.00 52.22 H new ATOM 0 HB3 ASN A 60 -13.673 4.889 -7.298 1.00 52.22 H new ATOM 0 HD21 ASN A 60 -11.128 4.748 -10.151 1.00 15.34 H new ATOM 0 HD22 ASN A 60 -11.446 3.667 -8.790 1.00 15.34 H new ATOM 951 N SER A 61 -12.744 6.268 -3.799 1.00 42.21 N ATOM 952 CA SER A 61 -13.331 6.154 -2.456 1.00 4.35 C ATOM 953 C SER A 61 -14.062 4.818 -2.257 1.00 53.24 C ATOM 954 O SER A 61 -15.089 4.746 -1.568 1.00 55.12 O ATOM 955 CB SER A 61 -14.232 7.368 -2.181 1.00 34.32 C ATOM 956 OG SER A 61 -13.483 8.562 -2.327 1.00 3.35 O ATOM 0 H SER A 61 -11.729 6.372 -3.784 1.00 42.21 H new ATOM 0 HA SER A 61 -12.526 6.157 -1.721 1.00 4.35 H new ATOM 0 HB2 SER A 61 -15.076 7.370 -2.871 1.00 34.32 H new ATOM 0 HB3 SER A 61 -14.644 7.307 -1.174 1.00 34.32 H new ATOM 0 HG SER A 61 -14.061 9.334 -2.152 1.00 3.35 H new ATOM 962 N GLU A 62 -13.460 3.752 -2.813 1.00 11.41 N ATOM 963 CA GLU A 62 -13.944 2.356 -2.699 1.00 63.24 C ATOM 964 C GLU A 62 -13.561 1.707 -1.338 1.00 25.13 C ATOM 965 O GLU A 62 -13.220 0.519 -1.267 1.00 3.42 O ATOM 966 CB GLU A 62 -13.409 1.530 -3.902 1.00 2.02 C ATOM 967 CG GLU A 62 -13.960 1.964 -5.277 1.00 41.34 C ATOM 968 CD GLU A 62 -15.477 1.773 -5.394 1.00 53.05 C ATOM 969 OE1 GLU A 62 -16.226 2.754 -5.255 1.00 53.01 O ATOM 970 OE2 GLU A 62 -15.929 0.626 -5.597 1.00 45.40 O ATOM 0 H GLU A 62 -12.607 3.833 -3.366 1.00 11.41 H new ATOM 0 HA GLU A 62 -15.034 2.364 -2.727 1.00 63.24 H new ATOM 0 HB2 GLU A 62 -12.322 1.604 -3.921 1.00 2.02 H new ATOM 0 HB3 GLU A 62 -13.654 0.480 -3.742 1.00 2.02 H new ATOM 0 HG2 GLU A 62 -13.716 3.013 -5.447 1.00 41.34 H new ATOM 0 HG3 GLU A 62 -13.464 1.390 -6.060 1.00 41.34 H new ATOM 977 N TYR A 63 -13.634 2.536 -0.288 1.00 21.33 N ATOM 978 CA TYR A 63 -13.699 2.151 1.129 1.00 14.31 C ATOM 979 C TYR A 63 -12.333 1.771 1.729 1.00 61.35 C ATOM 980 O TYR A 63 -11.578 0.983 1.157 1.00 64.11 O ATOM 981 CB TYR A 63 -14.793 1.071 1.414 1.00 63.21 C ATOM 982 CG TYR A 63 -16.235 1.607 1.289 1.00 15.51 C ATOM 983 CD1 TYR A 63 -16.941 2.047 2.409 1.00 35.14 C ATOM 984 CD2 TYR A 63 -16.877 1.687 0.050 1.00 62.31 C ATOM 985 CE1 TYR A 63 -18.216 2.556 2.295 1.00 20.41 C ATOM 986 CE2 TYR A 63 -18.152 2.190 -0.065 1.00 31.34 C ATOM 987 CZ TYR A 63 -18.821 2.618 1.060 1.00 21.05 C ATOM 988 OH TYR A 63 -20.096 3.134 0.948 1.00 53.02 O ATOM 0 H TYR A 63 -13.650 3.548 -0.411 1.00 21.33 H new ATOM 0 HA TYR A 63 -14.009 3.055 1.653 1.00 14.31 H new ATOM 0 HB2 TYR A 63 -14.661 0.240 0.721 1.00 63.21 H new ATOM 0 HB3 TYR A 63 -14.647 0.674 2.419 1.00 63.21 H new ATOM 0 HD1 TYR A 63 -16.479 1.987 3.384 1.00 35.14 H new ATOM 0 HD2 TYR A 63 -16.361 1.347 -0.836 1.00 62.31 H new ATOM 0 HE1 TYR A 63 -18.740 2.906 3.172 1.00 20.41 H new ATOM 0 HE2 TYR A 63 -18.626 2.249 -1.033 1.00 31.34 H new ATOM 0 HH TYR A 63 -20.378 3.108 0.010 1.00 53.02 H new ATOM 998 N LEU A 64 -12.105 2.251 2.963 1.00 61.33 N ATOM 999 CA LEU A 64 -10.778 2.154 3.636 1.00 61.34 C ATOM 1000 C LEU A 64 -10.562 0.709 4.117 1.00 35.11 C ATOM 1001 O LEU A 64 -9.499 0.165 3.838 1.00 73.03 O ATOM 1002 CB LEU A 64 -10.524 3.191 4.828 1.00 64.32 C ATOM 1003 CG LEU A 64 -9.721 4.547 4.588 1.00 24.25 C ATOM 1004 CD1 LEU A 64 -8.236 4.311 4.174 1.00 5.44 C ATOM 1005 CD2 LEU A 64 -10.412 5.564 3.639 1.00 72.53 C ATOM 0 H LEU A 64 -12.819 2.714 3.525 1.00 61.33 H new ATOM 0 HA LEU A 64 -10.043 2.436 2.882 1.00 61.34 H new ATOM 0 HB2 LEU A 64 -11.502 3.466 5.224 1.00 64.32 H new ATOM 0 HB3 LEU A 64 -10.003 2.648 5.616 1.00 64.32 H new ATOM 0 HG LEU A 64 -9.726 5.017 5.571 1.00 24.25 H new ATOM 0 HD11 LEU A 64 -7.743 5.272 4.025 1.00 5.44 H new ATOM 0 HD12 LEU A 64 -7.723 3.757 4.960 1.00 5.44 H new ATOM 0 HD13 LEU A 64 -8.203 3.739 3.247 1.00 5.44 H new ATOM 0 HD21 LEU A 64 -9.788 6.452 3.540 1.00 72.53 H new ATOM 0 HD22 LEU A 64 -10.553 5.109 2.659 1.00 72.53 H new ATOM 0 HD23 LEU A 64 -11.381 5.846 4.051 1.00 72.53 H new ATOM 1017 N PRO A 65 -11.555 0.039 4.825 1.00 44.22 N ATOM 1018 CA PRO A 65 -11.412 -1.391 5.204 1.00 54.43 C ATOM 1019 C PRO A 65 -11.295 -2.302 3.961 1.00 0.23 C ATOM 1020 O PRO A 65 -10.608 -3.328 4.017 1.00 12.02 O ATOM 1021 CB PRO A 65 -12.694 -1.689 6.023 1.00 24.24 C ATOM 1022 CG PRO A 65 -13.679 -0.642 5.606 1.00 24.41 C ATOM 1023 CD PRO A 65 -12.863 0.589 5.329 1.00 30.51 C ATOM 0 HA PRO A 65 -10.503 -1.585 5.773 1.00 54.43 H new ATOM 0 HB2 PRO A 65 -13.071 -2.690 5.814 1.00 24.24 H new ATOM 0 HB3 PRO A 65 -12.497 -1.640 7.094 1.00 24.24 H new ATOM 0 HG2 PRO A 65 -14.232 -0.954 4.720 1.00 24.41 H new ATOM 0 HG3 PRO A 65 -14.412 -0.458 6.391 1.00 24.41 H new ATOM 0 HD2 PRO A 65 -13.341 1.229 4.588 1.00 30.51 H new ATOM 0 HD3 PRO A 65 -12.726 1.190 6.228 1.00 30.51 H new ATOM 1031 N LYS A 66 -11.925 -1.899 2.836 1.00 42.13 N ATOM 1032 CA LYS A 66 -11.888 -2.677 1.587 1.00 2.35 C ATOM 1033 C LYS A 66 -10.458 -2.686 1.008 1.00 23.54 C ATOM 1034 O LYS A 66 -9.969 -3.730 0.585 1.00 15.21 O ATOM 1035 CB LYS A 66 -12.904 -2.136 0.543 1.00 3.33 C ATOM 1036 CG LYS A 66 -12.933 -2.904 -0.807 1.00 71.14 C ATOM 1037 CD LYS A 66 -13.440 -4.373 -0.706 1.00 43.43 C ATOM 1038 CE LYS A 66 -14.972 -4.496 -0.479 1.00 53.21 C ATOM 1039 NZ LYS A 66 -15.397 -4.061 0.888 1.00 1.23 N ATOM 0 H LYS A 66 -12.466 -1.036 2.772 1.00 42.13 H new ATOM 0 HA LYS A 66 -12.180 -3.701 1.821 1.00 2.35 H new ATOM 0 HB2 LYS A 66 -13.902 -2.165 0.981 1.00 3.33 H new ATOM 0 HB3 LYS A 66 -12.674 -1.090 0.343 1.00 3.33 H new ATOM 0 HG2 LYS A 66 -13.570 -2.361 -1.505 1.00 71.14 H new ATOM 0 HG3 LYS A 66 -11.928 -2.908 -1.229 1.00 71.14 H new ATOM 0 HD2 LYS A 66 -13.175 -4.902 -1.621 1.00 43.43 H new ATOM 0 HD3 LYS A 66 -12.920 -4.871 0.112 1.00 43.43 H new ATOM 0 HE2 LYS A 66 -15.494 -3.895 -1.224 1.00 53.21 H new ATOM 0 HE3 LYS A 66 -15.275 -5.531 -0.635 1.00 53.21 H new ATOM 0 HZ1 LYS A 66 -16.094 -4.734 1.266 1.00 1.23 H new ATOM 0 HZ2 LYS A 66 -14.569 -4.031 1.516 1.00 1.23 H new ATOM 0 HZ3 LYS A 66 -15.825 -3.114 0.834 1.00 1.23 H new ATOM 1053 N ILE A 67 -9.798 -1.516 1.028 1.00 20.04 N ATOM 1054 CA ILE A 67 -8.449 -1.331 0.454 1.00 73.14 C ATOM 1055 C ILE A 67 -7.337 -1.764 1.436 1.00 11.41 C ATOM 1056 O ILE A 67 -6.231 -2.135 1.014 1.00 4.13 O ATOM 1057 CB ILE A 67 -8.284 0.152 -0.021 1.00 34.35 C ATOM 1058 CG1 ILE A 67 -9.450 0.489 -0.999 1.00 63.35 C ATOM 1059 CG2 ILE A 67 -6.911 0.398 -0.689 1.00 22.31 C ATOM 1060 CD1 ILE A 67 -9.542 1.928 -1.431 1.00 20.13 C ATOM 0 H ILE A 67 -10.184 -0.668 1.443 1.00 20.04 H new ATOM 0 HA ILE A 67 -8.343 -1.983 -0.413 1.00 73.14 H new ATOM 0 HB ILE A 67 -8.323 0.809 0.848 1.00 34.35 H new ATOM 0 HG12 ILE A 67 -9.345 -0.133 -1.888 1.00 63.35 H new ATOM 0 HG13 ILE A 67 -10.391 0.210 -0.524 1.00 63.35 H new ATOM 0 HG21 ILE A 67 -6.840 1.439 -1.003 1.00 22.31 H new ATOM 0 HG22 ILE A 67 -6.115 0.179 0.023 1.00 22.31 H new ATOM 0 HG23 ILE A 67 -6.808 -0.251 -1.559 1.00 22.31 H new ATOM 0 HD11 ILE A 67 -10.387 2.051 -2.109 1.00 20.13 H new ATOM 0 HD12 ILE A 67 -9.684 2.562 -0.556 1.00 20.13 H new ATOM 0 HD13 ILE A 67 -8.622 2.214 -1.941 1.00 20.13 H new ATOM 1072 N ILE A 68 -7.655 -1.746 2.742 1.00 44.25 N ATOM 1073 CA ILE A 68 -6.806 -2.350 3.784 1.00 15.51 C ATOM 1074 C ILE A 68 -6.793 -3.878 3.577 1.00 4.33 C ATOM 1075 O ILE A 68 -5.747 -4.519 3.704 1.00 44.22 O ATOM 1076 CB ILE A 68 -7.284 -1.940 5.233 1.00 12.22 C ATOM 1077 CG1 ILE A 68 -6.905 -0.449 5.523 1.00 22.31 C ATOM 1078 CG2 ILE A 68 -6.723 -2.879 6.333 1.00 25.24 C ATOM 1079 CD1 ILE A 68 -7.438 0.087 6.834 1.00 62.11 C ATOM 0 H ILE A 68 -8.505 -1.314 3.104 1.00 44.25 H new ATOM 0 HA ILE A 68 -5.787 -1.974 3.695 1.00 15.51 H new ATOM 0 HB ILE A 68 -8.369 -2.045 5.260 1.00 12.22 H new ATOM 0 HG12 ILE A 68 -5.819 -0.356 5.521 1.00 22.31 H new ATOM 0 HG13 ILE A 68 -7.280 0.173 4.710 1.00 22.31 H new ATOM 0 HG21 ILE A 68 -7.083 -2.552 7.309 1.00 25.24 H new ATOM 0 HG22 ILE A 68 -7.058 -3.899 6.146 1.00 25.24 H new ATOM 0 HG23 ILE A 68 -5.634 -2.847 6.318 1.00 25.24 H new ATOM 0 HD11 ILE A 68 -7.129 1.125 6.955 1.00 62.11 H new ATOM 0 HD12 ILE A 68 -8.526 0.030 6.835 1.00 62.11 H new ATOM 0 HD13 ILE A 68 -7.043 -0.507 7.658 1.00 62.11 H new ATOM 1091 N LEU A 69 -7.960 -4.422 3.175 1.00 35.35 N ATOM 1092 CA LEU A 69 -8.107 -5.827 2.795 1.00 25.01 C ATOM 1093 C LEU A 69 -7.368 -6.104 1.466 1.00 23.34 C ATOM 1094 O LEU A 69 -6.736 -7.143 1.338 1.00 31.20 O ATOM 1095 CB LEU A 69 -9.603 -6.207 2.669 1.00 24.22 C ATOM 1096 CG LEU A 69 -9.905 -7.727 2.290 1.00 75.23 C ATOM 1097 CD1 LEU A 69 -9.275 -8.735 3.296 1.00 5.51 C ATOM 1098 CD2 LEU A 69 -11.425 -8.036 2.087 1.00 42.32 C ATOM 0 H LEU A 69 -8.827 -3.889 3.107 1.00 35.35 H new ATOM 0 HA LEU A 69 -7.662 -6.442 3.577 1.00 25.01 H new ATOM 0 HB2 LEU A 69 -10.096 -5.984 3.615 1.00 24.22 H new ATOM 0 HB3 LEU A 69 -10.058 -5.567 1.913 1.00 24.22 H new ATOM 0 HG LEU A 69 -9.421 -7.865 1.323 1.00 75.23 H new ATOM 0 HD11 LEU A 69 -9.513 -9.753 2.988 1.00 5.51 H new ATOM 0 HD12 LEU A 69 -8.193 -8.604 3.312 1.00 5.51 H new ATOM 0 HD13 LEU A 69 -9.677 -8.554 4.293 1.00 5.51 H new ATOM 0 HD21 LEU A 69 -11.551 -9.088 1.832 1.00 42.32 H new ATOM 0 HD22 LEU A 69 -11.967 -7.818 3.007 1.00 42.32 H new ATOM 0 HD23 LEU A 69 -11.817 -7.417 1.280 1.00 42.32 H new ATOM 1110 N ASN A 70 -7.443 -5.154 0.494 1.00 4.51 N ATOM 1111 CA ASN A 70 -6.791 -5.308 -0.832 1.00 21.40 C ATOM 1112 C ASN A 70 -5.255 -5.355 -0.689 1.00 73.11 C ATOM 1113 O ASN A 70 -4.600 -6.174 -1.340 1.00 44.23 O ATOM 1114 CB ASN A 70 -7.205 -4.191 -1.849 1.00 65.11 C ATOM 1115 CG ASN A 70 -8.703 -4.160 -2.174 1.00 71.44 C ATOM 1116 OD1 ASN A 70 -9.395 -5.178 -2.136 1.00 32.03 O ATOM 1117 ND2 ASN A 70 -9.209 -2.987 -2.511 1.00 74.42 N ATOM 0 H ASN A 70 -7.949 -4.275 0.606 1.00 4.51 H new ATOM 0 HA ASN A 70 -7.143 -6.257 -1.237 1.00 21.40 H new ATOM 0 HB2 ASN A 70 -6.912 -3.222 -1.446 1.00 65.11 H new ATOM 0 HB3 ASN A 70 -6.647 -4.333 -2.774 1.00 65.11 H new ATOM 0 HD21 ASN A 70 -10.198 -2.907 -2.749 1.00 74.42 H new ATOM 0 HD22 ASN A 70 -8.611 -2.161 -2.534 1.00 74.42 H new ATOM 1124 N LEU A 71 -4.696 -4.510 0.209 1.00 75.14 N ATOM 1125 CA LEU A 71 -3.243 -4.435 0.447 1.00 60.31 C ATOM 1126 C LEU A 71 -2.799 -5.596 1.345 1.00 54.54 C ATOM 1127 O LEU A 71 -1.672 -6.063 1.232 1.00 14.41 O ATOM 1128 CB LEU A 71 -2.832 -3.053 1.075 1.00 24.33 C ATOM 1129 CG LEU A 71 -2.538 -1.860 0.088 1.00 21.41 C ATOM 1130 CD1 LEU A 71 -2.656 -0.494 0.809 1.00 12.32 C ATOM 1131 CD2 LEU A 71 -1.133 -1.981 -0.563 1.00 44.51 C ATOM 0 H LEU A 71 -5.240 -3.866 0.784 1.00 75.14 H new ATOM 0 HA LEU A 71 -2.736 -4.518 -0.514 1.00 60.31 H new ATOM 0 HB2 LEU A 71 -3.628 -2.741 1.751 1.00 24.33 H new ATOM 0 HB3 LEU A 71 -1.942 -3.212 1.684 1.00 24.33 H new ATOM 0 HG LEU A 71 -3.290 -1.915 -0.700 1.00 21.41 H new ATOM 0 HD11 LEU A 71 -2.448 0.309 0.103 1.00 12.32 H new ATOM 0 HD12 LEU A 71 -3.665 -0.377 1.204 1.00 12.32 H new ATOM 0 HD13 LEU A 71 -1.938 -0.452 1.628 1.00 12.32 H new ATOM 0 HD21 LEU A 71 -0.970 -1.139 -1.236 1.00 44.51 H new ATOM 0 HD22 LEU A 71 -0.370 -1.976 0.215 1.00 44.51 H new ATOM 0 HD23 LEU A 71 -1.072 -2.913 -1.126 1.00 44.51 H new ATOM 1143 N ARG A 72 -3.694 -6.056 2.236 1.00 40.11 N ATOM 1144 CA ARG A 72 -3.396 -7.204 3.115 1.00 5.40 C ATOM 1145 C ARG A 72 -3.602 -8.544 2.355 1.00 24.13 C ATOM 1146 O ARG A 72 -3.062 -9.572 2.750 1.00 15.15 O ATOM 1147 CB ARG A 72 -4.235 -7.140 4.440 1.00 54.23 C ATOM 1148 CG ARG A 72 -3.791 -8.155 5.512 1.00 72.01 C ATOM 1149 CD ARG A 72 -4.552 -8.013 6.841 1.00 61.54 C ATOM 1150 NE ARG A 72 -4.094 -9.016 7.813 1.00 5.14 N ATOM 1151 CZ ARG A 72 -4.089 -8.887 9.140 1.00 24.54 C ATOM 1152 NH1 ARG A 72 -4.534 -7.787 9.753 1.00 21.51 N ATOM 1153 NH2 ARG A 72 -3.579 -9.860 9.855 1.00 22.13 N ATOM 0 H ARG A 72 -4.623 -5.656 2.368 1.00 40.11 H new ATOM 0 HA ARG A 72 -2.347 -7.151 3.405 1.00 5.40 H new ATOM 0 HB2 ARG A 72 -4.164 -6.134 4.855 1.00 54.23 H new ATOM 0 HB3 ARG A 72 -5.285 -7.314 4.202 1.00 54.23 H new ATOM 0 HG2 ARG A 72 -3.933 -9.165 5.127 1.00 72.01 H new ATOM 0 HG3 ARG A 72 -2.724 -8.032 5.698 1.00 72.01 H new ATOM 0 HD2 ARG A 72 -4.402 -7.012 7.246 1.00 61.54 H new ATOM 0 HD3 ARG A 72 -5.622 -8.130 6.667 1.00 61.54 H new ATOM 0 HE ARG A 72 -3.746 -9.897 7.435 1.00 5.14 H new ATOM 0 HH11 ARG A 72 -4.894 -7.007 9.203 1.00 21.51 H new ATOM 0 HH12 ARG A 72 -4.514 -7.727 10.771 1.00 21.51 H new ATOM 0 HH21 ARG A 72 -3.200 -10.687 9.394 1.00 22.13 H new ATOM 0 HH22 ARG A 72 -3.561 -9.790 10.872 1.00 22.13 H new ATOM 1167 N LYS A 73 -4.370 -8.526 1.242 1.00 55.32 N ATOM 1168 CA LYS A 73 -4.560 -9.716 0.382 1.00 13.21 C ATOM 1169 C LYS A 73 -3.391 -9.778 -0.623 1.00 41.30 C ATOM 1170 O LYS A 73 -2.904 -10.864 -0.951 1.00 13.32 O ATOM 1171 CB LYS A 73 -5.975 -9.698 -0.312 1.00 52.32 C ATOM 1172 CG LYS A 73 -6.477 -11.066 -0.878 1.00 25.42 C ATOM 1173 CD LYS A 73 -5.816 -11.480 -2.214 1.00 12.24 C ATOM 1174 CE LYS A 73 -6.271 -12.862 -2.708 1.00 52.21 C ATOM 1175 NZ LYS A 73 -7.734 -12.910 -2.988 1.00 70.55 N ATOM 0 H LYS A 73 -4.869 -7.698 0.918 1.00 55.32 H new ATOM 0 HA LYS A 73 -4.546 -10.626 0.982 1.00 13.21 H new ATOM 0 HB2 LYS A 73 -6.707 -9.335 0.409 1.00 52.32 H new ATOM 0 HB3 LYS A 73 -5.948 -8.977 -1.129 1.00 52.32 H new ATOM 0 HG2 LYS A 73 -6.291 -11.843 -0.137 1.00 25.42 H new ATOM 0 HG3 LYS A 73 -7.556 -11.014 -1.020 1.00 25.42 H new ATOM 0 HD2 LYS A 73 -6.049 -10.734 -2.974 1.00 12.24 H new ATOM 0 HD3 LYS A 73 -4.733 -11.483 -2.091 1.00 12.24 H new ATOM 0 HE2 LYS A 73 -5.722 -13.121 -3.613 1.00 52.21 H new ATOM 0 HE3 LYS A 73 -6.022 -13.613 -1.958 1.00 52.21 H new ATOM 0 HZ1 LYS A 73 -7.982 -13.840 -3.382 1.00 70.55 H new ATOM 0 HZ2 LYS A 73 -8.262 -12.757 -2.105 1.00 70.55 H new ATOM 0 HZ3 LYS A 73 -7.981 -12.167 -3.672 1.00 70.55 H new ATOM 1189 N ALA A 74 -2.926 -8.599 -1.073 1.00 61.32 N ATOM 1190 CA ALA A 74 -1.829 -8.481 -2.063 1.00 41.11 C ATOM 1191 C ALA A 74 -0.443 -8.710 -1.418 1.00 52.12 C ATOM 1192 O ALA A 74 0.355 -9.508 -1.912 1.00 45.22 O ATOM 1193 CB ALA A 74 -1.879 -7.108 -2.765 1.00 42.52 C ATOM 0 H ALA A 74 -3.296 -7.700 -0.764 1.00 61.32 H new ATOM 0 HA ALA A 74 -1.976 -9.263 -2.808 1.00 41.11 H new ATOM 0 HB1 ALA A 74 -1.066 -7.039 -3.488 1.00 42.52 H new ATOM 0 HB2 ALA A 74 -2.833 -6.997 -3.280 1.00 42.52 H new ATOM 0 HB3 ALA A 74 -1.773 -6.316 -2.024 1.00 42.52 H new ATOM 1199 N LEU A 75 -0.181 -8.013 -0.299 1.00 64.13 N ATOM 1200 CA LEU A 75 1.184 -7.920 0.292 1.00 1.11 C ATOM 1201 C LEU A 75 1.501 -9.058 1.285 1.00 72.41 C ATOM 1202 O LEU A 75 2.683 -9.351 1.499 1.00 12.14 O ATOM 1203 CB LEU A 75 1.469 -6.507 0.930 1.00 63.33 C ATOM 1204 CG LEU A 75 1.928 -5.359 -0.049 1.00 33.12 C ATOM 1205 CD1 LEU A 75 0.935 -5.098 -1.188 1.00 11.53 C ATOM 1206 CD2 LEU A 75 2.234 -4.051 0.721 1.00 22.44 C ATOM 0 H LEU A 75 -0.893 -7.501 0.223 1.00 64.13 H new ATOM 0 HA LEU A 75 1.867 -8.045 -0.548 1.00 1.11 H new ATOM 0 HB2 LEU A 75 0.564 -6.176 1.439 1.00 63.33 H new ATOM 0 HB3 LEU A 75 2.238 -6.629 1.693 1.00 63.33 H new ATOM 0 HG LEU A 75 2.847 -5.715 -0.515 1.00 33.12 H new ATOM 0 HD11 LEU A 75 1.313 -4.297 -1.823 1.00 11.53 H new ATOM 0 HD12 LEU A 75 0.814 -6.005 -1.781 1.00 11.53 H new ATOM 0 HD13 LEU A 75 -0.029 -4.806 -0.771 1.00 11.53 H new ATOM 0 HD21 LEU A 75 2.548 -3.280 0.018 1.00 22.44 H new ATOM 0 HD22 LEU A 75 1.338 -3.720 1.247 1.00 22.44 H new ATOM 0 HD23 LEU A 75 3.032 -4.231 1.442 1.00 22.44 H new ATOM 1218 N THR A 76 0.474 -9.699 1.885 1.00 20.03 N ATOM 1219 CA THR A 76 0.708 -10.824 2.824 1.00 13.12 C ATOM 1220 C THR A 76 1.406 -12.051 2.143 1.00 45.34 C ATOM 1221 O THR A 76 2.394 -12.541 2.713 1.00 11.42 O ATOM 1222 CB THR A 76 -0.586 -11.250 3.605 1.00 63.53 C ATOM 1223 OG1 THR A 76 -0.985 -10.180 4.476 1.00 41.15 O ATOM 1224 CG2 THR A 76 -0.415 -12.550 4.432 1.00 51.33 C ATOM 0 H THR A 76 -0.508 -9.464 1.741 1.00 20.03 H new ATOM 0 HA THR A 76 1.407 -10.438 3.566 1.00 13.12 H new ATOM 0 HB THR A 76 -1.351 -11.457 2.856 1.00 63.53 H new ATOM 0 HG1 THR A 76 -1.770 -9.728 4.101 1.00 41.15 H new ATOM 0 HG21 THR A 76 -1.349 -12.781 4.944 1.00 51.33 H new ATOM 0 HG22 THR A 76 -0.152 -13.373 3.767 1.00 51.33 H new ATOM 0 HG23 THR A 76 0.377 -12.412 5.168 1.00 51.33 H new ATOM 1232 N PRO A 77 0.951 -12.582 0.929 1.00 62.40 N ATOM 1233 CA PRO A 77 1.658 -13.705 0.248 1.00 0.13 C ATOM 1234 C PRO A 77 3.098 -13.329 -0.161 1.00 34.24 C ATOM 1235 O PRO A 77 4.013 -14.143 -0.024 1.00 75.23 O ATOM 1236 CB PRO A 77 0.776 -14.027 -0.995 1.00 22.34 C ATOM 1237 CG PRO A 77 -0.557 -13.431 -0.682 1.00 75.11 C ATOM 1238 CD PRO A 77 -0.262 -12.195 0.137 1.00 23.14 C ATOM 0 HA PRO A 77 1.775 -14.565 0.908 1.00 0.13 H new ATOM 0 HB2 PRO A 77 1.199 -13.596 -1.902 1.00 22.34 H new ATOM 0 HB3 PRO A 77 0.700 -15.102 -1.158 1.00 22.34 H new ATOM 0 HG2 PRO A 77 -1.098 -13.178 -1.594 1.00 75.11 H new ATOM 0 HG3 PRO A 77 -1.180 -14.132 -0.126 1.00 75.11 H new ATOM 0 HD2 PRO A 77 -0.068 -11.330 -0.497 1.00 23.14 H new ATOM 0 HD3 PRO A 77 -1.098 -11.934 0.785 1.00 23.14 H new ATOM 1246 N LEU A 78 3.285 -12.073 -0.632 1.00 75.15 N ATOM 1247 CA LEU A 78 4.613 -11.576 -1.088 1.00 63.24 C ATOM 1248 C LEU A 78 5.583 -11.386 0.098 1.00 34.45 C ATOM 1249 O LEU A 78 6.815 -11.471 -0.079 1.00 4.35 O ATOM 1250 CB LEU A 78 4.518 -10.234 -1.890 1.00 31.22 C ATOM 1251 CG LEU A 78 3.481 -10.175 -3.084 1.00 60.22 C ATOM 1252 CD1 LEU A 78 3.440 -8.785 -3.763 1.00 75.11 C ATOM 1253 CD2 LEU A 78 3.736 -11.275 -4.161 1.00 10.52 C ATOM 0 H LEU A 78 2.537 -11.384 -0.708 1.00 75.15 H new ATOM 0 HA LEU A 78 4.999 -12.345 -1.757 1.00 63.24 H new ATOM 0 HB2 LEU A 78 4.270 -9.438 -1.188 1.00 31.22 H new ATOM 0 HB3 LEU A 78 5.507 -10.009 -2.290 1.00 31.22 H new ATOM 0 HG LEU A 78 2.511 -10.366 -2.625 1.00 60.22 H new ATOM 0 HD11 LEU A 78 2.713 -8.798 -4.575 1.00 75.11 H new ATOM 0 HD12 LEU A 78 3.152 -8.031 -3.031 1.00 75.11 H new ATOM 0 HD13 LEU A 78 4.426 -8.546 -4.162 1.00 75.11 H new ATOM 0 HD21 LEU A 78 2.995 -11.186 -4.955 1.00 10.52 H new ATOM 0 HD22 LEU A 78 4.734 -11.149 -4.581 1.00 10.52 H new ATOM 0 HD23 LEU A 78 3.658 -12.260 -3.701 1.00 10.52 H new ATOM 1265 N ALA A 79 5.012 -11.106 1.290 1.00 12.10 N ATOM 1266 CA ALA A 79 5.776 -10.979 2.540 1.00 10.03 C ATOM 1267 C ALA A 79 6.328 -12.353 2.946 1.00 3.33 C ATOM 1268 O ALA A 79 7.535 -12.506 3.125 1.00 71.23 O ATOM 1269 CB ALA A 79 4.906 -10.377 3.659 1.00 62.50 C ATOM 0 H ALA A 79 4.009 -10.963 1.407 1.00 12.10 H new ATOM 0 HA ALA A 79 6.612 -10.298 2.377 1.00 10.03 H new ATOM 0 HB1 ALA A 79 5.495 -10.294 4.573 1.00 62.50 H new ATOM 0 HB2 ALA A 79 4.560 -9.388 3.359 1.00 62.50 H new ATOM 0 HB3 ALA A 79 4.046 -11.023 3.839 1.00 62.50 H new ATOM 1275 N ILE A 80 5.423 -13.357 3.001 1.00 14.54 N ATOM 1276 CA ILE A 80 5.756 -14.753 3.383 1.00 1.54 C ATOM 1277 C ILE A 80 6.797 -15.356 2.407 1.00 44.51 C ATOM 1278 O ILE A 80 7.762 -16.009 2.824 1.00 4.22 O ATOM 1279 CB ILE A 80 4.456 -15.661 3.429 1.00 43.44 C ATOM 1280 CG1 ILE A 80 3.414 -15.112 4.469 1.00 41.34 C ATOM 1281 CG2 ILE A 80 4.808 -17.152 3.716 1.00 70.04 C ATOM 1282 CD1 ILE A 80 2.092 -15.859 4.507 1.00 54.23 C ATOM 0 H ILE A 80 4.436 -13.223 2.781 1.00 14.54 H new ATOM 0 HA ILE A 80 6.189 -14.728 4.383 1.00 1.54 H new ATOM 0 HB ILE A 80 3.995 -15.619 2.442 1.00 43.44 H new ATOM 0 HG12 ILE A 80 3.862 -15.146 5.462 1.00 41.34 H new ATOM 0 HG13 ILE A 80 3.216 -14.064 4.244 1.00 41.34 H new ATOM 0 HG21 ILE A 80 3.893 -17.744 3.740 1.00 70.04 H new ATOM 0 HG22 ILE A 80 5.463 -17.529 2.931 1.00 70.04 H new ATOM 0 HG23 ILE A 80 5.314 -17.228 4.678 1.00 70.04 H new ATOM 0 HD11 ILE A 80 1.440 -15.407 5.254 1.00 54.23 H new ATOM 0 HD12 ILE A 80 1.615 -15.804 3.528 1.00 54.23 H new ATOM 0 HD13 ILE A 80 2.271 -16.903 4.766 1.00 54.23 H new ATOM 1294 N ASN A 81 6.599 -15.085 1.108 1.00 43.43 N ATOM 1295 CA ASN A 81 7.516 -15.514 0.028 1.00 42.32 C ATOM 1296 C ASN A 81 8.818 -14.685 0.036 1.00 0.33 C ATOM 1297 O ASN A 81 9.814 -15.103 -0.570 1.00 41.52 O ATOM 1298 CB ASN A 81 6.806 -15.417 -1.353 1.00 44.53 C ATOM 1299 CG ASN A 81 5.688 -16.449 -1.545 1.00 34.13 C ATOM 1300 OD1 ASN A 81 5.096 -16.937 -0.582 1.00 72.20 O ATOM 1301 ND2 ASN A 81 5.374 -16.765 -2.792 1.00 1.14 N ATOM 0 H ASN A 81 5.794 -14.558 0.770 1.00 43.43 H new ATOM 0 HA ASN A 81 7.788 -16.554 0.207 1.00 42.32 H new ATOM 0 HB2 ASN A 81 6.389 -14.417 -1.468 1.00 44.53 H new ATOM 0 HB3 ASN A 81 7.547 -15.546 -2.142 1.00 44.53 H new ATOM 0 HD21 ASN A 81 4.623 -17.430 -2.976 1.00 1.14 H new ATOM 0 HD22 ASN A 81 5.883 -16.343 -3.569 1.00 1.14 H new ATOM 1308 N ARG A 82 8.784 -13.508 0.710 1.00 4.44 N ATOM 1309 CA ARG A 82 9.976 -12.660 0.956 1.00 4.40 C ATOM 1310 C ARG A 82 10.581 -12.126 -0.366 1.00 52.31 C ATOM 1311 O ARG A 82 11.750 -12.370 -0.673 1.00 64.13 O ATOM 1312 CB ARG A 82 11.055 -13.418 1.826 1.00 41.43 C ATOM 1313 CG ARG A 82 10.603 -13.844 3.252 1.00 11.14 C ATOM 1314 CD ARG A 82 11.666 -14.680 3.999 1.00 45.44 C ATOM 1315 NE ARG A 82 11.228 -15.046 5.363 1.00 5.23 N ATOM 1316 CZ ARG A 82 11.979 -14.921 6.473 1.00 65.44 C ATOM 1317 NH1 ARG A 82 13.223 -14.437 6.412 1.00 34.31 N ATOM 1318 NH2 ARG A 82 11.473 -15.276 7.650 1.00 54.20 N ATOM 0 H ARG A 82 7.925 -13.120 1.099 1.00 4.44 H new ATOM 0 HA ARG A 82 9.645 -11.794 1.530 1.00 4.40 H new ATOM 0 HB2 ARG A 82 11.369 -14.310 1.284 1.00 41.43 H new ATOM 0 HB3 ARG A 82 11.932 -12.778 1.920 1.00 41.43 H new ATOM 0 HG2 ARG A 82 10.374 -12.952 3.836 1.00 11.14 H new ATOM 0 HG3 ARG A 82 9.682 -14.421 3.177 1.00 11.14 H new ATOM 0 HD2 ARG A 82 11.878 -15.586 3.432 1.00 45.44 H new ATOM 0 HD3 ARG A 82 12.596 -14.115 4.057 1.00 45.44 H new ATOM 0 HE ARG A 82 10.286 -15.421 5.471 1.00 5.23 H new ATOM 0 HH11 ARG A 82 13.617 -14.156 5.514 1.00 34.31 H new ATOM 0 HH12 ARG A 82 13.778 -14.349 7.263 1.00 34.31 H new ATOM 0 HH21 ARG A 82 10.522 -15.640 7.707 1.00 54.20 H new ATOM 0 HH22 ARG A 82 12.036 -15.184 8.496 1.00 54.20 H new ATOM 1332 N THR A 83 9.758 -11.402 -1.150 1.00 21.22 N ATOM 1333 CA THR A 83 10.214 -10.727 -2.400 1.00 3.24 C ATOM 1334 C THR A 83 9.665 -9.281 -2.467 1.00 0.13 C ATOM 1335 O THR A 83 9.735 -8.616 -3.500 1.00 34.11 O ATOM 1336 CB THR A 83 9.817 -11.551 -3.674 1.00 72.13 C ATOM 1337 OG1 THR A 83 10.432 -10.987 -4.852 1.00 73.54 O ATOM 1338 CG2 THR A 83 8.294 -11.625 -3.875 1.00 10.30 C ATOM 0 H THR A 83 8.768 -11.264 -0.946 1.00 21.22 H new ATOM 0 HA THR A 83 11.303 -10.675 -2.379 1.00 3.24 H new ATOM 0 HB THR A 83 10.181 -12.566 -3.517 1.00 72.13 H new ATOM 0 HG1 THR A 83 10.377 -10.009 -4.814 1.00 73.54 H new ATOM 0 HG21 THR A 83 8.073 -12.206 -4.770 1.00 10.30 H new ATOM 0 HG22 THR A 83 7.836 -12.103 -3.009 1.00 10.30 H new ATOM 0 HG23 THR A 83 7.893 -10.618 -3.988 1.00 10.30 H new ATOM 1346 N LEU A 84 9.135 -8.803 -1.337 1.00 12.42 N ATOM 1347 CA LEU A 84 8.685 -7.407 -1.171 1.00 62.11 C ATOM 1348 C LEU A 84 9.924 -6.556 -0.798 1.00 61.33 C ATOM 1349 O LEU A 84 10.716 -6.992 0.045 1.00 73.12 O ATOM 1350 CB LEU A 84 7.581 -7.400 -0.066 1.00 3.31 C ATOM 1351 CG LEU A 84 6.645 -6.139 0.042 1.00 55.10 C ATOM 1352 CD1 LEU A 84 5.267 -6.542 0.602 1.00 11.14 C ATOM 1353 CD2 LEU A 84 7.251 -5.015 0.915 1.00 2.12 C ATOM 0 H LEU A 84 9.003 -9.374 -0.502 1.00 12.42 H new ATOM 0 HA LEU A 84 8.253 -6.982 -2.077 1.00 62.11 H new ATOM 0 HB2 LEU A 84 6.947 -8.273 -0.223 1.00 3.31 H new ATOM 0 HB3 LEU A 84 8.073 -7.533 0.897 1.00 3.31 H new ATOM 0 HG LEU A 84 6.537 -5.744 -0.968 1.00 55.10 H new ATOM 0 HD11 LEU A 84 4.630 -5.660 0.671 1.00 11.14 H new ATOM 0 HD12 LEU A 84 4.804 -7.273 -0.061 1.00 11.14 H new ATOM 0 HD13 LEU A 84 5.391 -6.979 1.593 1.00 11.14 H new ATOM 0 HD21 LEU A 84 6.561 -4.172 0.953 1.00 2.12 H new ATOM 0 HD22 LEU A 84 7.421 -5.390 1.924 1.00 2.12 H new ATOM 0 HD23 LEU A 84 8.198 -4.690 0.484 1.00 2.12 H new ATOM 1365 N ASN A 85 10.083 -5.360 -1.425 1.00 74.24 N ATOM 1366 CA ASN A 85 11.322 -4.510 -1.243 1.00 14.31 C ATOM 1367 C ASN A 85 11.571 -4.188 0.254 1.00 4.44 C ATOM 1368 O ASN A 85 12.711 -3.956 0.669 1.00 0.01 O ATOM 1369 CB ASN A 85 11.281 -3.171 -2.057 1.00 22.45 C ATOM 1370 CG ASN A 85 12.594 -2.375 -1.988 1.00 35.31 C ATOM 1371 OD1 ASN A 85 13.677 -2.947 -1.939 1.00 52.12 O ATOM 1372 ND2 ASN A 85 12.519 -1.061 -1.990 1.00 1.04 N ATOM 0 H ASN A 85 9.389 -4.956 -2.054 1.00 74.24 H new ATOM 0 HA ASN A 85 12.144 -5.110 -1.634 1.00 14.31 H new ATOM 0 HB2 ASN A 85 11.055 -3.395 -3.099 1.00 22.45 H new ATOM 0 HB3 ASN A 85 10.468 -2.550 -1.681 1.00 22.45 H new ATOM 0 HD21 ASN A 85 13.371 -0.501 -1.950 1.00 1.04 H new ATOM 0 HD22 ASN A 85 11.609 -0.602 -2.031 1.00 1.04 H new ATOM 1379 N HIS A 86 10.457 -4.118 1.023 1.00 54.25 N ATOM 1380 CA HIS A 86 10.447 -4.056 2.505 1.00 42.44 C ATOM 1381 C HIS A 86 10.760 -2.640 3.033 1.00 10.03 C ATOM 1382 O HIS A 86 10.573 -2.356 4.214 1.00 44.20 O ATOM 1383 CB HIS A 86 11.384 -5.132 3.124 1.00 25.32 C ATOM 1384 CG HIS A 86 11.320 -5.250 4.624 1.00 12.22 C ATOM 1385 ND1 HIS A 86 12.106 -4.508 5.469 1.00 10.22 N ATOM 1386 CD2 HIS A 86 10.539 -6.017 5.416 1.00 10.11 C ATOM 1387 CE1 HIS A 86 11.822 -4.819 6.712 1.00 1.34 C ATOM 1388 NE2 HIS A 86 10.875 -5.729 6.702 1.00 20.31 N ATOM 0 H HIS A 86 9.520 -4.103 0.621 1.00 54.25 H new ATOM 0 HA HIS A 86 9.432 -4.286 2.829 1.00 42.44 H new ATOM 0 HB2 HIS A 86 11.137 -6.100 2.688 1.00 25.32 H new ATOM 0 HB3 HIS A 86 12.411 -4.906 2.837 1.00 25.32 H new ATOM 0 HD2 HIS A 86 9.791 -6.724 5.090 1.00 10.11 H new ATOM 0 HE1 HIS A 86 12.287 -4.399 7.592 1.00 1.34 H new ATOM 0 HE2 HIS A 86 10.457 -6.154 7.530 1.00 20.31 H new ATOM 1397 N ASP A 87 11.204 -1.743 2.133 1.00 0.40 N ATOM 1398 CA ASP A 87 11.558 -0.342 2.469 1.00 21.35 C ATOM 1399 C ASP A 87 10.316 0.486 2.937 1.00 3.54 C ATOM 1400 O ASP A 87 10.459 1.588 3.484 1.00 73.45 O ATOM 1401 CB ASP A 87 12.347 0.335 1.284 1.00 23.12 C ATOM 1402 CG ASP A 87 12.741 1.793 1.576 1.00 42.11 C ATOM 1403 OD1 ASP A 87 13.723 2.020 2.310 1.00 71.23 O ATOM 1404 OD2 ASP A 87 12.074 2.718 1.076 1.00 30.55 O ATOM 0 H ASP A 87 11.330 -1.966 1.146 1.00 0.40 H new ATOM 0 HA ASP A 87 12.230 -0.360 3.327 1.00 21.35 H new ATOM 0 HB2 ASP A 87 13.247 -0.244 1.077 1.00 23.12 H new ATOM 0 HB3 ASP A 87 11.734 0.304 0.383 1.00 23.12 H new ATOM 1409 N LEU A 88 9.094 -0.069 2.765 1.00 21.11 N ATOM 1410 CA LEU A 88 7.854 0.516 3.296 1.00 4.35 C ATOM 1411 C LEU A 88 7.108 -0.550 4.121 1.00 61.43 C ATOM 1412 O LEU A 88 5.873 -0.645 4.076 1.00 64.24 O ATOM 1413 CB LEU A 88 6.947 1.119 2.182 1.00 72.12 C ATOM 1414 CG LEU A 88 6.611 0.202 0.946 1.00 64.01 C ATOM 1415 CD1 LEU A 88 5.193 0.505 0.416 1.00 34.33 C ATOM 1416 CD2 LEU A 88 7.663 0.367 -0.185 1.00 44.11 C ATOM 0 H LEU A 88 8.946 -0.938 2.252 1.00 21.11 H new ATOM 0 HA LEU A 88 8.120 1.354 3.941 1.00 4.35 H new ATOM 0 HB2 LEU A 88 6.006 1.423 2.641 1.00 72.12 H new ATOM 0 HB3 LEU A 88 7.427 2.024 1.810 1.00 72.12 H new ATOM 0 HG LEU A 88 6.644 -0.834 1.282 1.00 64.01 H new ATOM 0 HD11 LEU A 88 4.979 -0.138 -0.438 1.00 34.33 H new ATOM 0 HD12 LEU A 88 4.463 0.318 1.203 1.00 34.33 H new ATOM 0 HD13 LEU A 88 5.135 1.549 0.108 1.00 34.33 H new ATOM 0 HD21 LEU A 88 7.401 -0.280 -1.023 1.00 44.11 H new ATOM 0 HD22 LEU A 88 7.679 1.405 -0.519 1.00 44.11 H new ATOM 0 HD23 LEU A 88 8.648 0.092 0.192 1.00 44.11 H new ATOM 1428 N SER A 89 7.872 -1.351 4.890 1.00 43.32 N ATOM 1429 CA SER A 89 7.310 -2.386 5.780 1.00 64.33 C ATOM 1430 C SER A 89 6.416 -1.746 6.867 1.00 1.42 C ATOM 1431 O SER A 89 5.499 -2.389 7.396 1.00 74.11 O ATOM 1432 CB SER A 89 8.438 -3.210 6.439 1.00 52.02 C ATOM 1433 OG SER A 89 7.932 -4.363 7.104 1.00 13.14 O ATOM 0 H SER A 89 8.890 -1.299 4.912 1.00 43.32 H new ATOM 0 HA SER A 89 6.698 -3.054 5.175 1.00 64.33 H new ATOM 0 HB2 SER A 89 9.157 -3.515 5.679 1.00 52.02 H new ATOM 0 HB3 SER A 89 8.975 -2.585 7.153 1.00 52.02 H new ATOM 0 HG SER A 89 8.635 -5.044 7.158 1.00 13.14 H new ATOM 1439 N GLU A 90 6.717 -0.470 7.190 1.00 5.13 N ATOM 1440 CA GLU A 90 5.945 0.317 8.159 1.00 41.15 C ATOM 1441 C GLU A 90 4.540 0.665 7.609 1.00 51.32 C ATOM 1442 O GLU A 90 3.637 0.921 8.390 1.00 15.41 O ATOM 1443 CB GLU A 90 6.730 1.598 8.574 1.00 70.11 C ATOM 1444 CG GLU A 90 6.110 2.375 9.765 1.00 25.20 C ATOM 1445 CD GLU A 90 5.994 1.543 11.062 1.00 52.34 C ATOM 1446 OE1 GLU A 90 4.957 0.894 11.286 1.00 31.22 O ATOM 1447 OE2 GLU A 90 6.946 1.516 11.862 1.00 23.40 O ATOM 0 H GLU A 90 7.503 0.038 6.783 1.00 5.13 H new ATOM 0 HA GLU A 90 5.799 -0.291 9.052 1.00 41.15 H new ATOM 0 HB2 GLU A 90 7.750 1.316 8.833 1.00 70.11 H new ATOM 0 HB3 GLU A 90 6.792 2.265 7.714 1.00 70.11 H new ATOM 0 HG2 GLU A 90 6.716 3.259 9.965 1.00 25.20 H new ATOM 0 HG3 GLU A 90 5.118 2.726 9.480 1.00 25.20 H new ATOM 1454 N LEU A 91 4.360 0.648 6.269 1.00 24.13 N ATOM 1455 CA LEU A 91 3.032 0.824 5.621 1.00 61.10 C ATOM 1456 C LEU A 91 2.192 -0.455 5.866 1.00 65.42 C ATOM 1457 O LEU A 91 0.991 -0.386 6.193 1.00 34.43 O ATOM 1458 CB LEU A 91 3.215 1.120 4.089 1.00 75.24 C ATOM 1459 CG LEU A 91 2.011 1.774 3.295 1.00 42.14 C ATOM 1460 CD1 LEU A 91 0.826 0.802 3.030 1.00 43.04 C ATOM 1461 CD2 LEU A 91 1.523 3.068 3.996 1.00 74.11 C ATOM 0 H LEU A 91 5.123 0.513 5.606 1.00 24.13 H new ATOM 0 HA LEU A 91 2.505 1.676 6.051 1.00 61.10 H new ATOM 0 HB2 LEU A 91 4.079 1.775 3.979 1.00 75.24 H new ATOM 0 HB3 LEU A 91 3.464 0.180 3.597 1.00 75.24 H new ATOM 0 HG LEU A 91 2.408 2.029 2.312 1.00 42.14 H new ATOM 0 HD11 LEU A 91 0.042 1.325 2.482 1.00 43.04 H new ATOM 0 HD12 LEU A 91 1.176 -0.046 2.442 1.00 43.04 H new ATOM 0 HD13 LEU A 91 0.428 0.445 3.980 1.00 43.04 H new ATOM 0 HD21 LEU A 91 0.696 3.498 3.431 1.00 74.11 H new ATOM 0 HD22 LEU A 91 1.188 2.831 5.006 1.00 74.11 H new ATOM 0 HD23 LEU A 91 2.341 3.786 4.044 1.00 74.11 H new ATOM 1473 N TYR A 92 2.862 -1.621 5.748 1.00 50.24 N ATOM 1474 CA TYR A 92 2.251 -2.947 5.982 1.00 44.05 C ATOM 1475 C TYR A 92 1.868 -3.107 7.476 1.00 31.13 C ATOM 1476 O TYR A 92 0.854 -3.727 7.819 1.00 41.44 O ATOM 1477 CB TYR A 92 3.233 -4.056 5.544 1.00 33.15 C ATOM 1478 CG TYR A 92 2.707 -5.492 5.669 1.00 53.44 C ATOM 1479 CD1 TYR A 92 3.387 -6.453 6.436 1.00 63.41 C ATOM 1480 CD2 TYR A 92 1.543 -5.896 5.008 1.00 22.33 C ATOM 1481 CE1 TYR A 92 2.921 -7.746 6.534 1.00 54.41 C ATOM 1482 CE2 TYR A 92 1.074 -7.189 5.113 1.00 4.52 C ATOM 1483 CZ TYR A 92 1.771 -8.108 5.870 1.00 44.13 C ATOM 1484 OH TYR A 92 1.311 -9.398 5.962 1.00 4.31 O ATOM 0 H TYR A 92 3.847 -1.669 5.486 1.00 50.24 H new ATOM 0 HA TYR A 92 1.340 -3.033 5.389 1.00 44.05 H new ATOM 0 HB2 TYR A 92 3.513 -3.879 4.506 1.00 33.15 H new ATOM 0 HB3 TYR A 92 4.142 -3.968 6.139 1.00 33.15 H new ATOM 0 HD1 TYR A 92 4.290 -6.173 6.958 1.00 63.41 H new ATOM 0 HD2 TYR A 92 1.001 -5.183 4.404 1.00 22.33 H new ATOM 0 HE1 TYR A 92 3.455 -8.472 7.129 1.00 54.41 H new ATOM 0 HE2 TYR A 92 0.166 -7.480 4.605 1.00 4.52 H new ATOM 0 HH TYR A 92 0.516 -9.503 5.399 1.00 4.31 H new ATOM 1494 N LYS A 93 2.693 -2.501 8.339 1.00 1.43 N ATOM 1495 CA LYS A 93 2.475 -2.473 9.800 1.00 71.31 C ATOM 1496 C LYS A 93 1.477 -1.369 10.179 1.00 72.02 C ATOM 1497 O LYS A 93 0.815 -1.468 11.216 1.00 22.14 O ATOM 1498 CB LYS A 93 3.827 -2.303 10.575 1.00 31.12 C ATOM 1499 CG LYS A 93 4.508 -3.632 10.995 1.00 42.21 C ATOM 1500 CD LYS A 93 3.731 -4.402 12.094 1.00 62.34 C ATOM 1501 CE LYS A 93 3.930 -3.826 13.516 1.00 11.24 C ATOM 1502 NZ LYS A 93 3.337 -2.473 13.688 1.00 23.35 N ATOM 0 H LYS A 93 3.538 -2.011 8.046 1.00 1.43 H new ATOM 0 HA LYS A 93 2.048 -3.432 10.094 1.00 71.31 H new ATOM 0 HB2 LYS A 93 4.519 -1.738 9.950 1.00 31.12 H new ATOM 0 HB3 LYS A 93 3.645 -1.706 11.469 1.00 31.12 H new ATOM 0 HG2 LYS A 93 4.612 -4.271 10.118 1.00 42.21 H new ATOM 0 HG3 LYS A 93 5.515 -3.418 11.354 1.00 42.21 H new ATOM 0 HD2 LYS A 93 2.668 -4.389 11.852 1.00 62.34 H new ATOM 0 HD3 LYS A 93 4.047 -5.445 12.087 1.00 62.34 H new ATOM 0 HE2 LYS A 93 3.484 -4.506 14.242 1.00 11.24 H new ATOM 0 HE3 LYS A 93 4.997 -3.779 13.736 1.00 11.24 H new ATOM 0 HZ1 LYS A 93 3.039 -2.347 14.677 1.00 23.35 H new ATOM 0 HZ2 LYS A 93 4.044 -1.750 13.445 1.00 23.35 H new ATOM 0 HZ3 LYS A 93 2.512 -2.374 13.063 1.00 23.35 H new ATOM 1516 N PHE A 94 1.380 -0.339 9.333 1.00 22.44 N ATOM 1517 CA PHE A 94 0.455 0.790 9.529 1.00 71.30 C ATOM 1518 C PHE A 94 -0.998 0.323 9.383 1.00 33.51 C ATOM 1519 O PHE A 94 -1.847 0.670 10.207 1.00 73.00 O ATOM 1520 CB PHE A 94 0.769 1.922 8.518 1.00 30.23 C ATOM 1521 CG PHE A 94 -0.074 3.182 8.663 1.00 11.41 C ATOM 1522 CD1 PHE A 94 0.195 4.118 9.666 1.00 40.32 C ATOM 1523 CD2 PHE A 94 -1.127 3.438 7.797 1.00 64.13 C ATOM 1524 CE1 PHE A 94 -0.566 5.258 9.792 1.00 50.11 C ATOM 1525 CE2 PHE A 94 -1.885 4.573 7.926 1.00 43.23 C ATOM 1526 CZ PHE A 94 -1.610 5.484 8.923 1.00 60.55 C ATOM 0 H PHE A 94 1.943 -0.261 8.486 1.00 22.44 H new ATOM 0 HA PHE A 94 0.589 1.180 10.538 1.00 71.30 H new ATOM 0 HB2 PHE A 94 1.819 2.195 8.619 1.00 30.23 H new ATOM 0 HB3 PHE A 94 0.637 1.531 7.509 1.00 30.23 H new ATOM 0 HD1 PHE A 94 1.011 3.944 10.352 1.00 40.32 H new ATOM 0 HD2 PHE A 94 -1.353 2.733 7.010 1.00 64.13 H new ATOM 0 HE1 PHE A 94 -0.345 5.973 10.570 1.00 50.11 H new ATOM 0 HE2 PHE A 94 -2.702 4.754 7.243 1.00 43.23 H new ATOM 0 HZ PHE A 94 -2.213 6.374 9.023 1.00 60.55 H new ATOM 1536 N ILE A 95 -1.284 -0.506 8.348 1.00 64.52 N ATOM 1537 CA ILE A 95 -2.656 -1.018 8.121 1.00 42.32 C ATOM 1538 C ILE A 95 -3.056 -2.067 9.194 1.00 62.41 C ATOM 1539 O ILE A 95 -4.218 -2.483 9.247 1.00 51.25 O ATOM 1540 CB ILE A 95 -2.897 -1.560 6.644 1.00 31.22 C ATOM 1541 CG1 ILE A 95 -2.298 -2.995 6.401 1.00 23.45 C ATOM 1542 CG2 ILE A 95 -2.400 -0.524 5.600 1.00 25.21 C ATOM 1543 CD1 ILE A 95 -2.291 -3.460 4.950 1.00 51.31 C ATOM 0 H ILE A 95 -0.595 -0.829 7.669 1.00 64.52 H new ATOM 0 HA ILE A 95 -3.318 -0.159 8.228 1.00 42.32 H new ATOM 0 HB ILE A 95 -3.973 -1.681 6.516 1.00 31.22 H new ATOM 0 HG12 ILE A 95 -1.275 -3.012 6.776 1.00 23.45 H new ATOM 0 HG13 ILE A 95 -2.866 -3.713 6.993 1.00 23.45 H new ATOM 0 HG21 ILE A 95 -2.572 -0.909 4.595 1.00 25.21 H new ATOM 0 HG22 ILE A 95 -2.945 0.411 5.728 1.00 25.21 H new ATOM 0 HG23 ILE A 95 -1.334 -0.346 5.743 1.00 25.21 H new ATOM 0 HD11 ILE A 95 -1.859 -4.459 4.890 1.00 51.31 H new ATOM 0 HD12 ILE A 95 -3.312 -3.483 4.570 1.00 51.31 H new ATOM 0 HD13 ILE A 95 -1.696 -2.771 4.350 1.00 51.31 H new ATOM 1555 N THR A 96 -2.094 -2.463 10.071 1.00 50.22 N ATOM 1556 CA THR A 96 -2.339 -3.383 11.199 1.00 74.22 C ATOM 1557 C THR A 96 -2.119 -2.667 12.557 1.00 2.52 C ATOM 1558 O THR A 96 -2.284 -3.294 13.606 1.00 2.32 O ATOM 1559 CB THR A 96 -1.406 -4.644 11.145 1.00 2.54 C ATOM 1560 OG1 THR A 96 -0.043 -4.240 10.960 1.00 21.12 O ATOM 1561 CG2 THR A 96 -1.786 -5.648 10.045 1.00 41.40 C ATOM 0 H THR A 96 -1.126 -2.148 10.009 1.00 50.22 H new ATOM 0 HA THR A 96 -3.376 -3.707 11.110 1.00 74.22 H new ATOM 0 HB THR A 96 -1.535 -5.153 12.100 1.00 2.54 H new ATOM 0 HG1 THR A 96 0.043 -3.283 11.151 1.00 21.12 H new ATOM 0 HG21 THR A 96 -1.097 -6.492 10.069 1.00 41.40 H new ATOM 0 HG22 THR A 96 -2.802 -6.004 10.213 1.00 41.40 H new ATOM 0 HG23 THR A 96 -1.728 -5.161 9.072 1.00 41.40 H new