USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 39 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.41) USER MOD Single : A 41 MET CE :methyl -112:sc= -0.674 (180deg=-2.52!) USER MOD Single : A 43 THR OG1 : rot -50:sc= 0.708 USER MOD Single : A 44 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 160:sc= -0.96 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.271 F(o=-0.84,f=-0.27) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= -0.134 (180deg=-0.176) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 67 MET CE :methyl -112:sc= -2.3 (180deg=-5.27!) USER MOD Single : A 71 MET CE :methyl 151:sc= 0 (180deg=-0.254) USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00215) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.163 F(o=-0.77,f=-0.16) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -0.0815 (180deg=-0.564) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0255 F(o=-0.55,f=-0.025) USER MOD Single : A 89 TYR OH : rot -62:sc=0.000132 USER MOD Single : A 90 THR OG1 : rot 36:sc= 0.406 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 0.058 -24.869 -9.183 1.00 11.42 N ATOM 433 CA VAL A 31 0.740 -23.619 -9.499 1.00 1.25 C ATOM 434 C VAL A 31 1.474 -23.072 -8.280 1.00 35.11 C ATOM 435 O VAL A 31 1.415 -21.877 -7.993 1.00 33.22 O ATOM 436 CB VAL A 31 -0.248 -22.554 -10.010 1.00 2.51 C ATOM 437 CG1 VAL A 31 -0.879 -22.997 -11.322 1.00 53.11 C ATOM 438 CG2 VAL A 31 -1.317 -22.274 -8.964 1.00 55.03 C ATOM 0 HA VAL A 31 1.461 -23.841 -10.285 1.00 1.25 H new ATOM 0 HB VAL A 31 0.302 -21.631 -10.192 1.00 2.51 H new ATOM 0 HG11 VAL A 31 -1.574 -22.232 -11.668 1.00 53.11 H new ATOM 0 HG12 VAL A 31 -0.099 -23.144 -12.070 1.00 53.11 H new ATOM 0 HG13 VAL A 31 -1.416 -23.933 -11.170 1.00 53.11 H new ATOM 0 HG21 VAL A 31 -2.007 -21.519 -9.342 1.00 55.03 H new ATOM 0 HG22 VAL A 31 -1.865 -23.191 -8.749 1.00 55.03 H new ATOM 0 HG23 VAL A 31 -0.846 -21.911 -8.051 1.00 55.03 H new ATOM 448 N GLU A 32 2.167 -23.955 -7.568 1.00 52.04 N ATOM 449 CA GLU A 32 2.914 -23.558 -6.380 1.00 23.12 C ATOM 450 C GLU A 32 4.147 -22.743 -6.759 1.00 43.54 C ATOM 451 O GLU A 32 4.629 -21.926 -5.974 1.00 22.04 O ATOM 452 CB GLU A 32 3.332 -24.793 -5.578 1.00 25.12 C ATOM 453 CG GLU A 32 4.157 -25.788 -6.378 1.00 74.23 C ATOM 454 CD GLU A 32 3.580 -27.189 -6.339 1.00 2.12 C ATOM 455 OE1 GLU A 32 2.997 -27.618 -7.357 1.00 32.14 O ATOM 456 OE2 GLU A 32 3.710 -27.857 -5.292 1.00 50.32 O ATOM 0 H GLU A 32 2.227 -24.948 -7.792 1.00 52.04 H new ATOM 0 HA GLU A 32 2.264 -22.936 -5.764 1.00 23.12 H new ATOM 0 HB2 GLU A 32 3.906 -24.474 -4.708 1.00 25.12 H new ATOM 0 HB3 GLU A 32 2.438 -25.292 -5.204 1.00 25.12 H new ATOM 0 HG2 GLU A 32 4.219 -25.453 -7.414 1.00 74.23 H new ATOM 0 HG3 GLU A 32 5.175 -25.807 -5.988 1.00 74.23 H new ATOM 464 N SER A 33 4.652 -22.971 -7.967 1.00 52.02 N ATOM 465 CA SER A 33 5.831 -22.261 -8.449 1.00 21.12 C ATOM 466 C SER A 33 5.488 -21.398 -9.659 1.00 25.15 C ATOM 467 O SER A 33 6.160 -20.405 -9.938 1.00 71.10 O ATOM 468 CB SER A 33 6.936 -23.254 -8.813 1.00 52.03 C ATOM 469 OG SER A 33 6.936 -24.363 -7.931 1.00 33.02 O ATOM 0 H SER A 33 4.263 -23.642 -8.630 1.00 52.02 H new ATOM 0 HA SER A 33 6.186 -21.610 -7.650 1.00 21.12 H new ATOM 0 HB2 SER A 33 6.795 -23.600 -9.837 1.00 52.03 H new ATOM 0 HB3 SER A 33 7.904 -22.755 -8.775 1.00 52.03 H new ATOM 0 HG SER A 33 7.650 -24.984 -8.186 1.00 33.02 H new ATOM 475 N ASP A 34 4.438 -21.784 -10.375 1.00 24.35 N ATOM 476 CA ASP A 34 4.004 -21.047 -11.556 1.00 65.01 C ATOM 477 C ASP A 34 3.732 -19.586 -11.214 1.00 52.24 C ATOM 478 O ASP A 34 3.818 -18.710 -12.075 1.00 52.30 O ATOM 479 CB ASP A 34 2.748 -21.687 -12.150 1.00 53.05 C ATOM 480 CG ASP A 34 2.118 -20.831 -13.231 1.00 32.34 C ATOM 481 OD1 ASP A 34 2.868 -20.282 -14.066 1.00 65.45 O ATOM 482 OD2 ASP A 34 0.875 -20.711 -13.245 1.00 61.43 O ATOM 0 H ASP A 34 3.871 -22.604 -10.158 1.00 24.35 H new ATOM 0 HA ASP A 34 4.806 -21.086 -12.294 1.00 65.01 H new ATOM 0 HB2 ASP A 34 3.002 -22.662 -12.565 1.00 53.05 H new ATOM 0 HB3 ASP A 34 2.021 -21.858 -11.356 1.00 53.05 H new ATOM 488 N LEU A 35 3.404 -19.330 -9.953 1.00 41.23 N ATOM 489 CA LEU A 35 3.119 -17.974 -9.496 1.00 3.11 C ATOM 490 C LEU A 35 4.358 -17.090 -9.606 1.00 3.25 C ATOM 491 O LEU A 35 4.253 -15.870 -9.736 1.00 22.44 O ATOM 492 CB LEU A 35 2.620 -17.996 -8.051 1.00 61.35 C ATOM 493 CG LEU A 35 1.111 -17.841 -7.858 1.00 13.32 C ATOM 494 CD1 LEU A 35 0.660 -16.449 -8.273 1.00 3.22 C ATOM 495 CD2 LEU A 35 0.361 -18.905 -8.648 1.00 14.10 C ATOM 0 H LEU A 35 3.329 -20.044 -9.228 1.00 41.23 H new ATOM 0 HA LEU A 35 2.341 -17.558 -10.136 1.00 3.11 H new ATOM 0 HB2 LEU A 35 2.929 -18.937 -7.596 1.00 61.35 H new ATOM 0 HB3 LEU A 35 3.120 -17.197 -7.503 1.00 61.35 H new ATOM 0 HG LEU A 35 0.883 -17.974 -6.800 1.00 13.32 H new ATOM 0 HD11 LEU A 35 -0.417 -16.357 -8.129 1.00 3.22 H new ATOM 0 HD12 LEU A 35 1.173 -15.704 -7.664 1.00 3.22 H new ATOM 0 HD13 LEU A 35 0.900 -16.287 -9.324 1.00 3.22 H new ATOM 0 HD21 LEU A 35 -0.712 -18.780 -8.499 1.00 14.10 H new ATOM 0 HD22 LEU A 35 0.595 -18.804 -9.708 1.00 14.10 H new ATOM 0 HD23 LEU A 35 0.662 -19.894 -8.303 1.00 14.10 H new ATOM 507 N ASP A 36 5.529 -17.715 -9.553 1.00 53.51 N ATOM 508 CA ASP A 36 6.789 -16.986 -9.649 1.00 11.03 C ATOM 509 C ASP A 36 6.885 -16.241 -10.978 1.00 25.21 C ATOM 510 O ASP A 36 7.549 -15.210 -11.076 1.00 43.42 O ATOM 511 CB ASP A 36 7.970 -17.945 -9.501 1.00 1.12 C ATOM 512 CG ASP A 36 9.243 -17.236 -9.082 1.00 0.22 C ATOM 513 OD1 ASP A 36 9.904 -16.637 -9.956 1.00 52.12 O ATOM 514 OD2 ASP A 36 9.578 -17.279 -7.880 1.00 2.23 O ATOM 0 H ASP A 36 5.632 -18.724 -9.444 1.00 53.51 H new ATOM 0 HA ASP A 36 6.821 -16.256 -8.840 1.00 11.03 H new ATOM 0 HB2 ASP A 36 7.724 -18.709 -8.764 1.00 1.12 H new ATOM 0 HB3 ASP A 36 8.138 -18.458 -10.448 1.00 1.12 H new ATOM 520 N MET A 37 6.219 -16.772 -11.998 1.00 64.42 N ATOM 521 CA MET A 37 6.231 -16.159 -13.320 1.00 54.44 C ATOM 522 C MET A 37 5.234 -15.005 -13.392 1.00 72.51 C ATOM 523 O MET A 37 5.457 -14.024 -14.102 1.00 24.50 O ATOM 524 CB MET A 37 5.903 -17.199 -14.393 1.00 40.41 C ATOM 525 CG MET A 37 5.611 -16.594 -15.757 1.00 23.21 C ATOM 526 SD MET A 37 6.418 -17.489 -17.098 1.00 54.20 S ATOM 527 CE MET A 37 5.419 -16.978 -18.495 1.00 21.21 C ATOM 0 H MET A 37 5.664 -17.626 -11.934 1.00 64.42 H new ATOM 0 HA MET A 37 7.231 -15.765 -13.501 1.00 54.44 H new ATOM 0 HB2 MET A 37 6.740 -17.892 -14.484 1.00 40.41 H new ATOM 0 HB3 MET A 37 5.040 -17.782 -14.071 1.00 40.41 H new ATOM 0 HG2 MET A 37 4.534 -16.588 -15.925 1.00 23.21 H new ATOM 0 HG3 MET A 37 5.941 -15.555 -15.768 1.00 23.21 H new ATOM 0 HE1 MET A 37 5.795 -17.450 -19.403 1.00 21.21 H new ATOM 0 HE2 MET A 37 4.384 -17.278 -18.331 1.00 21.21 H new ATOM 0 HE3 MET A 37 5.470 -15.894 -18.602 1.00 21.21 H new ATOM 537 N GLN A 38 4.137 -15.130 -12.654 1.00 10.31 N ATOM 538 CA GLN A 38 3.107 -14.098 -12.636 1.00 12.44 C ATOM 539 C GLN A 38 3.686 -12.758 -12.196 1.00 31.31 C ATOM 540 O GLN A 38 3.140 -11.702 -12.512 1.00 11.23 O ATOM 541 CB GLN A 38 1.964 -14.504 -11.703 1.00 72.45 C ATOM 542 CG GLN A 38 0.596 -14.052 -12.184 1.00 2.42 C ATOM 543 CD GLN A 38 -0.513 -14.414 -11.215 1.00 31.41 C ATOM 544 OE1 GLN A 38 -0.944 -13.588 -10.411 1.00 65.24 O ATOM 545 NE2 GLN A 38 -0.982 -15.654 -11.289 1.00 62.55 N ATOM 0 H GLN A 38 3.938 -15.935 -12.060 1.00 10.31 H new ATOM 0 HA GLN A 38 2.719 -13.990 -13.649 1.00 12.44 H new ATOM 0 HB2 GLN A 38 1.962 -15.589 -11.596 1.00 72.45 H new ATOM 0 HB3 GLN A 38 2.148 -14.086 -10.713 1.00 72.45 H new ATOM 0 HG2 GLN A 38 0.606 -12.972 -12.332 1.00 2.42 H new ATOM 0 HG3 GLN A 38 0.388 -14.505 -13.154 1.00 2.42 H new ATOM 0 HE21 GLN A 38 -0.595 -16.306 -11.971 1.00 62.55 H new ATOM 0 HE22 GLN A 38 -1.730 -15.955 -10.664 1.00 62.55 H new ATOM 554 N GLN A 39 4.796 -12.810 -11.466 1.00 33.01 N ATOM 555 CA GLN A 39 5.449 -11.598 -10.983 1.00 4.23 C ATOM 556 C GLN A 39 5.736 -10.640 -12.133 1.00 74.32 C ATOM 557 O GLN A 39 5.635 -9.422 -11.979 1.00 62.22 O ATOM 558 CB GLN A 39 6.750 -11.950 -10.259 1.00 10.43 C ATOM 559 CG GLN A 39 6.536 -12.680 -8.943 1.00 43.14 C ATOM 560 CD GLN A 39 5.544 -11.975 -8.040 1.00 41.54 C ATOM 561 OE1 GLN A 39 5.916 -11.116 -7.239 1.00 31.03 O ATOM 562 NE2 GLN A 39 4.271 -12.334 -8.162 1.00 5.21 N ATOM 0 H GLN A 39 5.261 -13.677 -11.196 1.00 33.01 H new ATOM 0 HA GLN A 39 4.774 -11.105 -10.284 1.00 4.23 H new ATOM 0 HB2 GLN A 39 7.364 -12.570 -10.913 1.00 10.43 H new ATOM 0 HB3 GLN A 39 7.310 -11.034 -10.070 1.00 10.43 H new ATOM 0 HG2 GLN A 39 6.182 -13.691 -9.146 1.00 43.14 H new ATOM 0 HG3 GLN A 39 7.490 -12.774 -8.425 1.00 43.14 H new ATOM 0 HE21 GLN A 39 4.006 -13.050 -8.838 1.00 5.21 H new ATOM 0 HE22 GLN A 39 3.559 -11.894 -7.579 1.00 5.21 H new ATOM 571 N ALA A 40 6.096 -11.195 -13.285 1.00 32.22 N ATOM 572 CA ALA A 40 6.397 -10.388 -14.462 1.00 45.25 C ATOM 573 C ALA A 40 5.171 -9.606 -14.919 1.00 52.44 C ATOM 574 O ALA A 40 5.292 -8.555 -15.549 1.00 4.25 O ATOM 575 CB ALA A 40 6.912 -11.271 -15.589 1.00 53.13 C ATOM 0 H ALA A 40 6.187 -12.201 -13.429 1.00 32.22 H new ATOM 0 HA ALA A 40 7.173 -9.672 -14.192 1.00 45.25 H new ATOM 0 HB1 ALA A 40 7.133 -10.656 -16.461 1.00 53.13 H new ATOM 0 HB2 ALA A 40 7.819 -11.781 -15.266 1.00 53.13 H new ATOM 0 HB3 ALA A 40 6.153 -12.009 -15.848 1.00 53.13 H new ATOM 581 N MET A 41 3.990 -10.124 -14.597 1.00 0.42 N ATOM 582 CA MET A 41 2.741 -9.473 -14.975 1.00 72.13 C ATOM 583 C MET A 41 2.423 -8.317 -14.032 1.00 64.41 C ATOM 584 O MET A 41 2.043 -7.231 -14.470 1.00 51.11 O ATOM 585 CB MET A 41 1.592 -10.483 -14.968 1.00 15.11 C ATOM 586 CG MET A 41 1.750 -11.591 -15.996 1.00 34.32 C ATOM 587 SD MET A 41 1.557 -11.001 -17.689 1.00 73.22 S ATOM 588 CE MET A 41 3.250 -10.579 -18.095 1.00 62.52 C ATOM 0 H MET A 41 3.872 -10.992 -14.075 1.00 0.42 H new ATOM 0 HA MET A 41 2.859 -9.075 -15.983 1.00 72.13 H new ATOM 0 HB2 MET A 41 1.516 -10.928 -13.976 1.00 15.11 H new ATOM 0 HB3 MET A 41 0.656 -9.957 -15.154 1.00 15.11 H new ATOM 0 HG2 MET A 41 2.734 -12.047 -15.884 1.00 34.32 H new ATOM 0 HG3 MET A 41 1.013 -12.370 -15.801 1.00 34.32 H new ATOM 0 HE1 MET A 41 3.339 -9.498 -18.204 1.00 62.52 H new ATOM 0 HE2 MET A 41 3.911 -10.919 -17.298 1.00 62.52 H new ATOM 0 HE3 MET A 41 3.531 -11.063 -19.030 1.00 62.52 H new ATOM 598 N LEU A 42 2.583 -8.557 -12.734 1.00 20.22 N ATOM 599 CA LEU A 42 2.313 -7.536 -11.729 1.00 43.11 C ATOM 600 C LEU A 42 3.330 -6.403 -11.816 1.00 62.34 C ATOM 601 O LEU A 42 3.030 -5.256 -11.484 1.00 71.15 O ATOM 602 CB LEU A 42 2.337 -8.152 -10.329 1.00 61.12 C ATOM 603 CG LEU A 42 1.147 -9.041 -9.965 1.00 73.45 C ATOM 604 CD1 LEU A 42 1.345 -10.447 -10.509 1.00 13.11 C ATOM 605 CD2 LEU A 42 0.947 -9.074 -8.458 1.00 41.35 C ATOM 0 H LEU A 42 2.898 -9.450 -12.354 1.00 20.22 H new ATOM 0 HA LEU A 42 1.322 -7.125 -11.922 1.00 43.11 H new ATOM 0 HB2 LEU A 42 3.249 -8.741 -10.229 1.00 61.12 H new ATOM 0 HB3 LEU A 42 2.398 -7.344 -9.600 1.00 61.12 H new ATOM 0 HG LEU A 42 0.251 -8.620 -10.421 1.00 73.45 H new ATOM 0 HD11 LEU A 42 0.488 -11.065 -10.240 1.00 13.11 H new ATOM 0 HD12 LEU A 42 1.438 -10.408 -11.594 1.00 13.11 H new ATOM 0 HD13 LEU A 42 2.251 -10.878 -10.083 1.00 13.11 H new ATOM 0 HD21 LEU A 42 0.096 -9.711 -8.218 1.00 41.35 H new ATOM 0 HD22 LEU A 42 1.843 -9.470 -7.981 1.00 41.35 H new ATOM 0 HD23 LEU A 42 0.758 -8.064 -8.094 1.00 41.35 H new ATOM 617 N THR A 43 4.537 -6.732 -12.268 1.00 42.11 N ATOM 618 CA THR A 43 5.599 -5.742 -12.400 1.00 22.23 C ATOM 619 C THR A 43 5.673 -5.203 -13.824 1.00 52.22 C ATOM 620 O THR A 43 6.724 -4.745 -14.270 1.00 74.44 O ATOM 621 CB THR A 43 6.969 -6.334 -12.016 1.00 12.30 C ATOM 622 OG1 THR A 43 7.950 -5.293 -11.942 1.00 13.44 O ATOM 623 CG2 THR A 43 7.409 -7.382 -13.027 1.00 70.31 C ATOM 0 H THR A 43 4.803 -7.676 -12.549 1.00 42.11 H new ATOM 0 HA THR A 43 5.359 -4.927 -11.717 1.00 22.23 H new ATOM 0 HB THR A 43 6.873 -6.811 -11.041 1.00 12.30 H new ATOM 0 HG1 THR A 43 7.911 -4.748 -12.756 1.00 13.44 H new ATOM 0 HG21 THR A 43 8.379 -7.785 -12.735 1.00 70.31 H new ATOM 0 HG22 THR A 43 6.675 -8.188 -13.059 1.00 70.31 H new ATOM 0 HG23 THR A 43 7.489 -6.925 -14.013 1.00 70.31 H new ATOM 631 N ASN A 44 4.550 -5.259 -14.532 1.00 24.35 N ATOM 632 CA ASN A 44 4.488 -4.775 -15.907 1.00 31.41 C ATOM 633 C ASN A 44 4.170 -3.284 -15.944 1.00 52.11 C ATOM 634 O ASN A 44 3.008 -2.883 -15.867 1.00 24.44 O ATOM 635 CB ASN A 44 3.434 -5.554 -16.697 1.00 52.24 C ATOM 636 CG ASN A 44 3.368 -5.126 -18.150 1.00 3.51 C ATOM 637 OD1 ASN A 44 2.290 -4.866 -18.684 1.00 2.32 O ATOM 638 ND2 ASN A 44 4.525 -5.051 -18.798 1.00 31.23 N ATOM 0 H ASN A 44 3.671 -5.634 -14.177 1.00 24.35 H new ATOM 0 HA ASN A 44 5.464 -4.931 -16.366 1.00 31.41 H new ATOM 0 HB2 ASN A 44 3.659 -6.619 -16.645 1.00 52.24 H new ATOM 0 HB3 ASN A 44 2.458 -5.411 -16.234 1.00 52.24 H new ATOM 0 HD21 ASN A 44 4.543 -4.769 -19.778 1.00 31.23 H new ATOM 0 HD22 ASN A 44 5.395 -5.276 -18.316 1.00 31.23 H new ATOM 718 N VAL A 49 0.149 2.964 -18.979 1.00 61.13 N ATOM 719 CA VAL A 49 -0.341 2.610 -17.652 1.00 14.32 C ATOM 720 C VAL A 49 -0.292 3.809 -16.711 1.00 5.51 C ATOM 721 O VAL A 49 -1.210 4.029 -15.920 1.00 42.13 O ATOM 722 CB VAL A 49 0.475 1.457 -17.041 1.00 52.14 C ATOM 723 CG1 VAL A 49 0.326 1.441 -15.527 1.00 51.20 C ATOM 724 CG2 VAL A 49 0.049 0.126 -17.641 1.00 4.22 C ATOM 0 HA VAL A 49 -1.375 2.288 -17.772 1.00 14.32 H new ATOM 0 HB VAL A 49 1.527 1.615 -17.277 1.00 52.14 H new ATOM 0 HG11 VAL A 49 0.910 0.619 -15.113 1.00 51.20 H new ATOM 0 HG12 VAL A 49 0.685 2.385 -15.116 1.00 51.20 H new ATOM 0 HG13 VAL A 49 -0.724 1.308 -15.266 1.00 51.20 H new ATOM 0 HG21 VAL A 49 0.636 -0.678 -17.197 1.00 4.22 H new ATOM 0 HG22 VAL A 49 -1.009 -0.043 -17.438 1.00 4.22 H new ATOM 0 HG23 VAL A 49 0.213 0.143 -18.718 1.00 4.22 H new ATOM 734 N LEU A 50 0.785 4.581 -16.802 1.00 51.42 N ATOM 735 CA LEU A 50 0.955 5.759 -15.958 1.00 53.23 C ATOM 736 C LEU A 50 -0.263 6.673 -16.048 1.00 41.31 C ATOM 737 O LEU A 50 -0.637 7.325 -15.072 1.00 4.54 O ATOM 738 CB LEU A 50 2.213 6.527 -16.368 1.00 42.32 C ATOM 739 CG LEU A 50 3.516 5.727 -16.371 1.00 25.13 C ATOM 740 CD1 LEU A 50 4.685 6.610 -16.778 1.00 51.40 C ATOM 741 CD2 LEU A 50 3.765 5.107 -15.003 1.00 1.01 C ATOM 0 H LEU A 50 1.553 4.413 -17.451 1.00 51.42 H new ATOM 0 HA LEU A 50 1.061 5.424 -14.926 1.00 53.23 H new ATOM 0 HB2 LEU A 50 2.057 6.933 -17.367 1.00 42.32 H new ATOM 0 HB3 LEU A 50 2.332 7.375 -15.694 1.00 42.32 H new ATOM 0 HG LEU A 50 3.423 4.923 -17.101 1.00 25.13 H new ATOM 0 HD11 LEU A 50 5.603 6.023 -16.774 1.00 51.40 H new ATOM 0 HD12 LEU A 50 4.511 7.005 -17.779 1.00 51.40 H new ATOM 0 HD13 LEU A 50 4.780 7.436 -16.073 1.00 51.40 H new ATOM 0 HD21 LEU A 50 4.697 4.541 -15.024 1.00 1.01 H new ATOM 0 HD22 LEU A 50 3.836 5.895 -14.254 1.00 1.01 H new ATOM 0 HD23 LEU A 50 2.941 4.440 -14.751 1.00 1.01 H new ATOM 753 N LYS A 51 -0.880 6.716 -17.224 1.00 4.51 N ATOM 754 CA LYS A 51 -2.059 7.546 -17.441 1.00 51.13 C ATOM 755 C LYS A 51 -3.109 7.293 -16.364 1.00 4.30 C ATOM 756 O LYS A 51 -3.845 8.199 -15.974 1.00 34.43 O ATOM 757 CB LYS A 51 -2.654 7.272 -18.823 1.00 24.32 C ATOM 758 CG LYS A 51 -1.746 7.682 -19.969 1.00 71.13 C ATOM 759 CD LYS A 51 -2.514 8.424 -21.051 1.00 71.15 C ATOM 760 CE LYS A 51 -1.629 9.430 -21.771 1.00 54.12 C ATOM 761 NZ LYS A 51 -2.290 9.978 -22.989 1.00 23.31 N ATOM 0 H LYS A 51 -0.583 6.185 -18.042 1.00 4.51 H new ATOM 0 HA LYS A 51 -1.752 8.590 -17.385 1.00 51.13 H new ATOM 0 HB2 LYS A 51 -2.876 6.208 -18.909 1.00 24.32 H new ATOM 0 HB3 LYS A 51 -3.601 7.804 -18.913 1.00 24.32 H new ATOM 0 HG2 LYS A 51 -0.945 8.316 -19.590 1.00 71.13 H new ATOM 0 HG3 LYS A 51 -1.276 6.796 -20.397 1.00 71.13 H new ATOM 0 HD2 LYS A 51 -2.914 7.709 -21.770 1.00 71.15 H new ATOM 0 HD3 LYS A 51 -3.365 8.939 -20.606 1.00 71.15 H new ATOM 0 HE2 LYS A 51 -1.382 10.247 -21.093 1.00 54.12 H new ATOM 0 HE3 LYS A 51 -0.690 8.953 -22.051 1.00 54.12 H new ATOM 0 HZ1 LYS A 51 -1.655 10.660 -23.452 1.00 23.31 H new ATOM 0 HZ2 LYS A 51 -2.503 9.202 -23.647 1.00 23.31 H new ATOM 0 HZ3 LYS A 51 -3.174 10.456 -22.719 1.00 23.31 H new ATOM 775 N ALA A 52 -3.172 6.054 -15.885 1.00 33.03 N ATOM 776 CA ALA A 52 -4.130 5.683 -14.851 1.00 22.15 C ATOM 777 C ALA A 52 -3.734 6.271 -13.501 1.00 5.52 C ATOM 778 O ALA A 52 -4.584 6.754 -12.749 1.00 34.45 O ATOM 779 CB ALA A 52 -4.245 4.169 -14.757 1.00 71.42 C ATOM 0 H ALA A 52 -2.571 5.291 -16.197 1.00 33.03 H new ATOM 0 HA ALA A 52 -5.102 6.093 -15.126 1.00 22.15 H new ATOM 0 HB1 ALA A 52 -4.964 3.906 -13.981 1.00 71.42 H new ATOM 0 HB2 ALA A 52 -4.582 3.770 -15.714 1.00 71.42 H new ATOM 0 HB3 ALA A 52 -3.272 3.745 -14.509 1.00 71.42 H new ATOM 785 N LEU A 53 -2.443 6.227 -13.197 1.00 25.34 N ATOM 786 CA LEU A 53 -1.935 6.754 -11.935 1.00 32.11 C ATOM 787 C LEU A 53 -2.254 8.240 -11.799 1.00 3.32 C ATOM 788 O LEU A 53 -2.256 8.784 -10.695 1.00 42.32 O ATOM 789 CB LEU A 53 -0.424 6.535 -11.839 1.00 62.10 C ATOM 790 CG LEU A 53 0.048 5.082 -11.900 1.00 62.13 C ATOM 791 CD1 LEU A 53 1.568 5.014 -11.907 1.00 31.11 C ATOM 792 CD2 LEU A 53 -0.517 4.289 -10.730 1.00 64.34 C ATOM 0 H LEU A 53 -1.727 5.832 -13.807 1.00 25.34 H new ATOM 0 HA LEU A 53 -2.426 6.219 -11.122 1.00 32.11 H new ATOM 0 HB2 LEU A 53 0.055 7.086 -12.648 1.00 62.10 H new ATOM 0 HB3 LEU A 53 -0.072 6.972 -10.904 1.00 62.10 H new ATOM 0 HG LEU A 53 -0.319 4.639 -12.826 1.00 62.13 H new ATOM 0 HD11 LEU A 53 1.885 3.972 -11.951 1.00 31.11 H new ATOM 0 HD12 LEU A 53 1.952 5.547 -12.777 1.00 31.11 H new ATOM 0 HD13 LEU A 53 1.957 5.474 -10.999 1.00 31.11 H new ATOM 0 HD21 LEU A 53 -0.171 3.257 -10.789 1.00 64.34 H new ATOM 0 HD22 LEU A 53 -0.179 4.732 -9.793 1.00 64.34 H new ATOM 0 HD23 LEU A 53 -1.606 4.309 -10.769 1.00 64.34 H new ATOM 804 N GLU A 54 -2.524 8.887 -12.927 1.00 14.40 N ATOM 805 CA GLU A 54 -2.847 10.309 -12.932 1.00 51.13 C ATOM 806 C GLU A 54 -4.167 10.571 -12.213 1.00 13.12 C ATOM 807 O GLU A 54 -4.290 11.525 -11.445 1.00 4.01 O ATOM 808 CB GLU A 54 -2.923 10.833 -14.367 1.00 33.22 C ATOM 809 CG GLU A 54 -1.632 10.657 -15.149 1.00 62.41 C ATOM 810 CD GLU A 54 -1.400 11.769 -16.153 1.00 54.42 C ATOM 811 OE1 GLU A 54 -0.760 12.777 -15.784 1.00 4.14 O ATOM 812 OE2 GLU A 54 -1.859 11.634 -17.306 1.00 4.31 O ATOM 0 H GLU A 54 -2.526 8.450 -13.849 1.00 14.40 H new ATOM 0 HA GLU A 54 -2.054 10.836 -12.402 1.00 51.13 H new ATOM 0 HB2 GLU A 54 -3.728 10.318 -14.891 1.00 33.22 H new ATOM 0 HB3 GLU A 54 -3.183 11.891 -14.345 1.00 33.22 H new ATOM 0 HG2 GLU A 54 -0.793 10.620 -14.454 1.00 62.41 H new ATOM 0 HG3 GLU A 54 -1.656 9.701 -15.671 1.00 62.41 H new ATOM 820 N ARG A 55 -5.153 9.717 -12.470 1.00 21.23 N ATOM 821 CA ARG A 55 -6.465 9.855 -11.850 1.00 54.13 C ATOM 822 C ARG A 55 -6.438 9.366 -10.406 1.00 44.42 C ATOM 823 O ARG A 55 -7.147 9.891 -9.546 1.00 3.24 O ATOM 824 CB ARG A 55 -7.513 9.076 -12.645 1.00 4.04 C ATOM 825 CG ARG A 55 -8.848 8.945 -11.929 1.00 12.22 C ATOM 826 CD ARG A 55 -9.423 10.307 -11.571 1.00 64.23 C ATOM 827 NE ARG A 55 -10.843 10.406 -11.896 1.00 24.14 N ATOM 828 CZ ARG A 55 -11.586 11.474 -11.630 1.00 25.22 C ATOM 829 NH1 ARG A 55 -11.046 12.530 -11.038 1.00 3.13 N ATOM 830 NH2 ARG A 55 -12.872 11.487 -11.957 1.00 0.10 N ATOM 0 H ARG A 55 -5.068 8.922 -13.104 1.00 21.23 H new ATOM 0 HA ARG A 55 -6.730 10.912 -11.852 1.00 54.13 H new ATOM 0 HB2 ARG A 55 -7.671 9.571 -13.603 1.00 4.04 H new ATOM 0 HB3 ARG A 55 -7.127 8.080 -12.861 1.00 4.04 H new ATOM 0 HG2 ARG A 55 -9.552 8.407 -12.564 1.00 12.22 H new ATOM 0 HG3 ARG A 55 -8.720 8.353 -11.023 1.00 12.22 H new ATOM 0 HD2 ARG A 55 -9.282 10.491 -10.506 1.00 64.23 H new ATOM 0 HD3 ARG A 55 -8.874 11.083 -12.104 1.00 64.23 H new ATOM 0 HE ARG A 55 -11.289 9.611 -12.353 1.00 24.14 H new ATOM 0 HH11 ARG A 55 -10.058 12.523 -10.786 1.00 3.13 H new ATOM 0 HH12 ARG A 55 -11.619 13.349 -10.835 1.00 3.13 H new ATOM 0 HH21 ARG A 55 -13.290 10.676 -12.413 1.00 0.10 H new ATOM 0 HH22 ARG A 55 -13.442 12.308 -11.752 1.00 0.10 H new ATOM 844 N THR A 56 -5.614 8.355 -10.143 1.00 22.14 N ATOM 845 CA THR A 56 -5.496 7.793 -8.804 1.00 24.14 C ATOM 846 C THR A 56 -4.729 8.732 -7.880 1.00 3.14 C ATOM 847 O THR A 56 -5.154 8.992 -6.753 1.00 23.52 O ATOM 848 CB THR A 56 -4.788 6.425 -8.830 1.00 33.00 C ATOM 849 OG1 THR A 56 -3.390 6.601 -9.085 1.00 51.33 O ATOM 850 CG2 THR A 56 -5.393 5.522 -9.895 1.00 41.41 C ATOM 0 H THR A 56 -5.019 7.909 -10.841 1.00 22.14 H new ATOM 0 HA THR A 56 -6.510 7.662 -8.425 1.00 24.14 H new ATOM 0 HB THR A 56 -4.923 5.953 -7.857 1.00 33.00 H new ATOM 0 HG1 THR A 56 -2.901 5.804 -8.791 1.00 51.33 H new ATOM 0 HG21 THR A 56 -4.877 4.562 -9.894 1.00 41.41 H new ATOM 0 HG22 THR A 56 -6.450 5.366 -9.682 1.00 41.41 H new ATOM 0 HG23 THR A 56 -5.286 5.991 -10.873 1.00 41.41 H new ATOM 858 N ARG A 57 -3.600 9.238 -8.363 1.00 63.41 N ATOM 859 CA ARG A 57 -2.773 10.147 -7.579 1.00 41.53 C ATOM 860 C ARG A 57 -3.583 11.355 -7.116 1.00 33.14 C ATOM 861 O ARG A 57 -3.280 11.960 -6.089 1.00 41.24 O ATOM 862 CB ARG A 57 -1.568 10.612 -8.399 1.00 4.44 C ATOM 863 CG ARG A 57 -1.929 11.573 -9.520 1.00 2.00 C ATOM 864 CD ARG A 57 -0.694 12.260 -10.083 1.00 24.14 C ATOM 865 NE ARG A 57 0.361 11.305 -10.413 1.00 33.03 N ATOM 866 CZ ARG A 57 1.628 11.650 -10.611 1.00 23.10 C ATOM 867 NH1 ARG A 57 1.996 12.919 -10.510 1.00 34.43 N ATOM 868 NH2 ARG A 57 2.530 10.723 -10.908 1.00 32.02 N ATOM 0 H ARG A 57 -3.237 9.034 -9.294 1.00 63.41 H new ATOM 0 HA ARG A 57 -2.419 9.609 -6.700 1.00 41.53 H new ATOM 0 HB2 ARG A 57 -0.851 11.095 -7.735 1.00 4.44 H new ATOM 0 HB3 ARG A 57 -1.071 9.741 -8.825 1.00 4.44 H new ATOM 0 HG2 ARG A 57 -2.440 11.031 -10.316 1.00 2.00 H new ATOM 0 HG3 ARG A 57 -2.626 12.323 -9.147 1.00 2.00 H new ATOM 0 HD2 ARG A 57 -0.967 12.822 -10.976 1.00 24.14 H new ATOM 0 HD3 ARG A 57 -0.317 12.980 -9.357 1.00 24.14 H new ATOM 0 HE ARG A 57 0.111 10.320 -10.496 1.00 33.03 H new ATOM 0 HH11 ARG A 57 1.305 13.633 -10.280 1.00 34.43 H new ATOM 0 HH12 ARG A 57 2.970 13.181 -10.663 1.00 34.43 H new ATOM 0 HH21 ARG A 57 2.250 9.745 -10.984 1.00 32.02 H new ATOM 0 HH22 ARG A 57 3.503 10.988 -11.060 1.00 32.02 H new ATOM 882 N GLN A 58 -4.612 11.699 -7.883 1.00 51.41 N ATOM 883 CA GLN A 58 -5.464 12.836 -7.552 1.00 3.12 C ATOM 884 C GLN A 58 -6.213 12.592 -6.246 1.00 52.31 C ATOM 885 O GLN A 58 -6.365 13.499 -5.427 1.00 61.12 O ATOM 886 CB GLN A 58 -6.460 13.100 -8.683 1.00 71.10 C ATOM 887 CG GLN A 58 -5.853 13.832 -9.869 1.00 21.53 C ATOM 888 CD GLN A 58 -5.490 15.267 -9.547 1.00 23.31 C ATOM 889 OE1 GLN A 58 -4.291 15.470 -9.012 1.00 24.54 O flip ATOM 890 NE2 GLN A 58 -6.279 16.186 -9.775 1.00 3.32 N flip ATOM 0 H GLN A 58 -4.876 11.208 -8.737 1.00 51.41 H new ATOM 0 HA GLN A 58 -4.827 13.711 -7.427 1.00 3.12 H new ATOM 0 HB2 GLN A 58 -6.870 12.149 -9.024 1.00 71.10 H new ATOM 0 HB3 GLN A 58 -7.293 13.685 -8.293 1.00 71.10 H new ATOM 0 HG2 GLN A 58 -4.960 13.301 -10.200 1.00 21.53 H new ATOM 0 HG3 GLN A 58 -6.559 13.818 -10.700 1.00 21.53 H new ATOM 0 HE21 GLN A 58 -7.190 15.985 -10.187 1.00 3.32 H new ATOM 0 HE22 GLN A 58 -6.021 17.147 -9.552 1.00 3.32 H new ATOM 899 N LEU A 59 -6.681 11.363 -6.059 1.00 2.42 N ATOM 900 CA LEU A 59 -7.416 11.000 -4.852 1.00 64.20 C ATOM 901 C LEU A 59 -6.472 10.464 -3.781 1.00 64.33 C ATOM 902 O LEU A 59 -6.909 9.878 -2.790 1.00 44.22 O ATOM 903 CB LEU A 59 -8.483 9.954 -5.176 1.00 12.43 C ATOM 904 CG LEU A 59 -9.345 10.235 -6.407 1.00 13.22 C ATOM 905 CD1 LEU A 59 -9.320 9.048 -7.358 1.00 72.45 C ATOM 906 CD2 LEU A 59 -10.774 10.561 -5.996 1.00 23.54 C ATOM 0 H LEU A 59 -6.565 10.601 -6.727 1.00 2.42 H new ATOM 0 HA LEU A 59 -7.901 11.898 -4.468 1.00 64.20 H new ATOM 0 HB2 LEU A 59 -7.990 8.992 -5.314 1.00 12.43 H new ATOM 0 HB3 LEU A 59 -9.140 9.854 -4.312 1.00 12.43 H new ATOM 0 HG LEU A 59 -8.932 11.100 -6.926 1.00 13.22 H new ATOM 0 HD11 LEU A 59 -9.939 9.266 -8.228 1.00 72.45 H new ATOM 0 HD12 LEU A 59 -8.295 8.861 -7.679 1.00 72.45 H new ATOM 0 HD13 LEU A 59 -9.708 8.166 -6.849 1.00 72.45 H new ATOM 0 HD21 LEU A 59 -11.372 10.758 -6.885 1.00 23.54 H new ATOM 0 HD22 LEU A 59 -11.198 9.716 -5.453 1.00 23.54 H new ATOM 0 HD23 LEU A 59 -10.776 11.442 -5.355 1.00 23.54 H new ATOM 918 N ASP A 60 -5.175 10.669 -3.985 1.00 53.11 N ATOM 919 CA ASP A 60 -4.169 10.209 -3.035 1.00 61.45 C ATOM 920 C ASP A 60 -4.163 8.687 -2.944 1.00 52.31 C ATOM 921 O ASP A 60 -4.628 8.112 -1.959 1.00 53.22 O ATOM 922 CB ASP A 60 -4.426 10.815 -1.654 1.00 64.42 C ATOM 923 CG ASP A 60 -3.212 10.726 -0.749 1.00 13.12 C ATOM 924 OD1 ASP A 60 -2.448 11.713 -0.682 1.00 1.41 O ATOM 925 OD2 ASP A 60 -3.027 9.672 -0.106 1.00 11.10 O ATOM 0 H ASP A 60 -4.796 11.151 -4.800 1.00 53.11 H new ATOM 0 HA ASP A 60 -3.192 10.537 -3.391 1.00 61.45 H new ATOM 0 HB2 ASP A 60 -4.716 11.860 -1.767 1.00 64.42 H new ATOM 0 HB3 ASP A 60 -5.264 10.300 -1.185 1.00 64.42 H new ATOM 931 N ILE A 61 -3.636 8.040 -3.978 1.00 64.54 N ATOM 932 CA ILE A 61 -3.569 6.584 -4.014 1.00 2.52 C ATOM 933 C ILE A 61 -2.165 6.105 -4.362 1.00 33.25 C ATOM 934 O ILE A 61 -1.544 6.569 -5.320 1.00 23.05 O ATOM 935 CB ILE A 61 -4.566 6.000 -5.032 1.00 51.41 C ATOM 936 CG1 ILE A 61 -5.938 6.659 -4.872 1.00 53.25 C ATOM 937 CG2 ILE A 61 -4.675 4.493 -4.863 1.00 21.24 C ATOM 938 CD1 ILE A 61 -6.946 6.219 -5.910 1.00 61.54 C ATOM 0 H ILE A 61 -3.249 8.501 -4.802 1.00 64.54 H new ATOM 0 HA ILE A 61 -3.832 6.232 -3.016 1.00 2.52 H new ATOM 0 HB ILE A 61 -4.198 6.208 -6.037 1.00 51.41 H new ATOM 0 HG12 ILE A 61 -6.328 6.431 -3.880 1.00 53.25 H new ATOM 0 HG13 ILE A 61 -5.821 7.741 -4.928 1.00 53.25 H new ATOM 0 HG21 ILE A 61 -5.383 4.096 -5.590 1.00 21.24 H new ATOM 0 HG22 ILE A 61 -3.698 4.037 -5.022 1.00 21.24 H new ATOM 0 HG23 ILE A 61 -5.022 4.264 -3.855 1.00 21.24 H new ATOM 0 HD11 ILE A 61 -7.894 6.727 -5.734 1.00 61.54 H new ATOM 0 HD12 ILE A 61 -6.578 6.472 -6.904 1.00 61.54 H new ATOM 0 HD13 ILE A 61 -7.093 5.141 -5.840 1.00 61.54 H new ATOM 950 N PRO A 62 -1.650 5.153 -3.570 1.00 72.33 N ATOM 951 CA PRO A 62 -0.312 4.589 -3.778 1.00 40.44 C ATOM 952 C PRO A 62 -0.236 3.724 -5.031 1.00 13.13 C ATOM 953 O PRO A 62 -1.151 2.953 -5.321 1.00 5.00 O ATOM 954 CB PRO A 62 -0.089 3.737 -2.525 1.00 21.12 C ATOM 955 CG PRO A 62 -1.459 3.383 -2.059 1.00 31.35 C ATOM 956 CD PRO A 62 -2.333 4.555 -2.411 1.00 34.12 C ATOM 0 HA PRO A 62 0.440 5.365 -3.923 1.00 40.44 H new ATOM 0 HB2 PRO A 62 0.495 2.845 -2.752 1.00 21.12 H new ATOM 0 HB3 PRO A 62 0.458 4.291 -1.762 1.00 21.12 H new ATOM 0 HG2 PRO A 62 -1.813 2.473 -2.544 1.00 31.35 H new ATOM 0 HG3 PRO A 62 -1.470 3.197 -0.985 1.00 31.35 H new ATOM 0 HD2 PRO A 62 -3.346 4.240 -2.660 1.00 34.12 H new ATOM 0 HD3 PRO A 62 -2.413 5.260 -1.584 1.00 34.12 H new ATOM 964 N ASP A 63 0.859 3.857 -5.770 1.00 63.32 N ATOM 965 CA ASP A 63 1.056 3.086 -6.993 1.00 42.05 C ATOM 966 C ASP A 63 1.234 1.604 -6.677 1.00 31.14 C ATOM 967 O ASP A 63 1.223 0.763 -7.576 1.00 72.33 O ATOM 968 CB ASP A 63 2.273 3.606 -7.759 1.00 40.33 C ATOM 969 CG ASP A 63 2.339 5.120 -7.780 1.00 72.35 C ATOM 970 OD1 ASP A 63 1.330 5.754 -8.156 1.00 31.20 O ATOM 971 OD2 ASP A 63 3.400 5.673 -7.420 1.00 3.40 O ATOM 0 H ASP A 63 1.625 4.492 -5.544 1.00 63.32 H new ATOM 0 HA ASP A 63 0.168 3.203 -7.615 1.00 42.05 H new ATOM 0 HB2 ASP A 63 3.181 3.212 -7.303 1.00 40.33 H new ATOM 0 HB3 ASP A 63 2.242 3.232 -8.782 1.00 40.33 H new ATOM 977 N GLU A 64 1.396 1.292 -5.394 1.00 33.55 N ATOM 978 CA GLU A 64 1.578 -0.089 -4.962 1.00 74.20 C ATOM 979 C GLU A 64 0.256 -0.848 -4.997 1.00 43.54 C ATOM 980 O GLU A 64 0.224 -2.051 -5.257 1.00 2.32 O ATOM 981 CB GLU A 64 2.167 -0.131 -3.551 1.00 24.40 C ATOM 982 CG GLU A 64 3.345 0.808 -3.355 1.00 43.34 C ATOM 983 CD GLU A 64 4.145 0.487 -2.106 1.00 54.42 C ATOM 984 OE1 GLU A 64 5.388 0.416 -2.202 1.00 63.33 O ATOM 985 OE2 GLU A 64 3.529 0.307 -1.036 1.00 51.52 O ATOM 0 H GLU A 64 1.405 1.976 -4.637 1.00 33.55 H new ATOM 0 HA GLU A 64 2.271 -0.571 -5.651 1.00 74.20 H new ATOM 0 HB2 GLU A 64 1.387 0.123 -2.833 1.00 24.40 H new ATOM 0 HB3 GLU A 64 2.485 -1.150 -3.329 1.00 24.40 H new ATOM 0 HG2 GLU A 64 3.999 0.751 -4.225 1.00 43.34 H new ATOM 0 HG3 GLU A 64 2.981 1.834 -3.296 1.00 43.34 H new ATOM 993 N LYS A 65 -0.835 -0.137 -4.732 1.00 22.11 N ATOM 994 CA LYS A 65 -2.163 -0.742 -4.732 1.00 72.53 C ATOM 995 C LYS A 65 -2.876 -0.487 -6.056 1.00 72.32 C ATOM 996 O LYS A 65 -3.684 -1.300 -6.505 1.00 5.25 O ATOM 997 CB LYS A 65 -2.998 -0.188 -3.576 1.00 43.22 C ATOM 998 CG LYS A 65 -3.614 1.170 -3.865 1.00 31.33 C ATOM 999 CD LYS A 65 -4.327 1.730 -2.647 1.00 22.34 C ATOM 1000 CE LYS A 65 -5.459 0.819 -2.197 1.00 52.55 C ATOM 1001 NZ LYS A 65 -5.056 -0.044 -1.053 1.00 21.31 N ATOM 0 H LYS A 65 -0.826 0.859 -4.514 1.00 22.11 H new ATOM 0 HA LYS A 65 -2.045 -1.818 -4.604 1.00 72.53 H new ATOM 0 HB2 LYS A 65 -3.793 -0.896 -3.342 1.00 43.22 H new ATOM 0 HB3 LYS A 65 -2.369 -0.111 -2.689 1.00 43.22 H new ATOM 0 HG2 LYS A 65 -2.835 1.863 -4.182 1.00 31.33 H new ATOM 0 HG3 LYS A 65 -4.319 1.082 -4.692 1.00 31.33 H new ATOM 0 HD2 LYS A 65 -3.614 1.856 -1.832 1.00 22.34 H new ATOM 0 HD3 LYS A 65 -4.724 2.718 -2.879 1.00 22.34 H new ATOM 0 HE2 LYS A 65 -6.319 1.424 -1.910 1.00 52.55 H new ATOM 0 HE3 LYS A 65 -5.774 0.192 -3.031 1.00 52.55 H new ATOM 0 HZ1 LYS A 65 -5.889 -0.550 -0.689 1.00 21.31 H new ATOM 0 HZ2 LYS A 65 -4.345 -0.733 -1.371 1.00 21.31 H new ATOM 0 HZ3 LYS A 65 -4.653 0.547 -0.298 1.00 21.31 H new ATOM 1015 N THR A 66 -2.570 0.647 -6.679 1.00 31.22 N ATOM 1016 CA THR A 66 -3.182 1.009 -7.952 1.00 54.31 C ATOM 1017 C THR A 66 -2.621 0.166 -9.091 1.00 62.41 C ATOM 1018 O THR A 66 -3.315 -0.115 -10.068 1.00 64.52 O ATOM 1019 CB THR A 66 -2.965 2.499 -8.276 1.00 4.11 C ATOM 1020 OG1 THR A 66 -3.559 3.314 -7.259 1.00 2.15 O ATOM 1021 CG2 THR A 66 -3.564 2.851 -9.630 1.00 42.43 C ATOM 0 H THR A 66 -1.902 1.331 -6.323 1.00 31.22 H new ATOM 0 HA THR A 66 -4.251 0.818 -7.855 1.00 54.31 H new ATOM 0 HB THR A 66 -1.892 2.688 -8.311 1.00 4.11 H new ATOM 0 HG1 THR A 66 -3.415 4.260 -7.472 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.399 3.908 -9.837 1.00 42.43 H new ATOM 0 HG22 THR A 66 -3.088 2.250 -10.405 1.00 42.43 H new ATOM 0 HG23 THR A 66 -4.635 2.647 -9.618 1.00 42.43 H new ATOM 1029 N MET A 67 -1.360 -0.235 -8.959 1.00 11.52 N ATOM 1030 CA MET A 67 -0.707 -1.049 -9.977 1.00 73.43 C ATOM 1031 C MET A 67 -1.553 -2.270 -10.323 1.00 64.31 C ATOM 1032 O MET A 67 -1.962 -2.469 -11.466 1.00 35.52 O ATOM 1033 CB MET A 67 0.676 -1.491 -9.497 1.00 35.51 C ATOM 1034 CG MET A 67 1.811 -0.637 -10.041 1.00 1.30 C ATOM 1035 SD MET A 67 2.430 -1.233 -11.626 1.00 24.41 S ATOM 1036 CE MET A 67 1.514 -0.193 -12.761 1.00 54.13 C ATOM 0 H MET A 67 -0.771 -0.009 -8.157 1.00 11.52 H new ATOM 0 HA MET A 67 -0.595 -0.442 -10.875 1.00 73.43 H new ATOM 0 HB2 MET A 67 0.700 -1.461 -8.408 1.00 35.51 H new ATOM 0 HB3 MET A 67 0.839 -2.528 -9.791 1.00 35.51 H new ATOM 0 HG2 MET A 67 1.466 0.391 -10.153 1.00 1.30 H new ATOM 0 HG3 MET A 67 2.627 -0.622 -9.319 1.00 1.30 H new ATOM 0 HE1 MET A 67 0.802 -0.802 -13.318 1.00 54.13 H new ATOM 0 HE2 MET A 67 0.977 0.572 -12.201 1.00 54.13 H new ATOM 0 HE3 MET A 67 2.205 0.284 -13.456 1.00 54.13 H new ATOM 1046 N PRO A 68 -1.822 -3.110 -9.311 1.00 20.15 N ATOM 1047 CA PRO A 68 -2.621 -4.326 -9.484 1.00 32.03 C ATOM 1048 C PRO A 68 -4.091 -4.020 -9.752 1.00 3.45 C ATOM 1049 O PRO A 68 -4.846 -4.889 -10.190 1.00 12.31 O ATOM 1050 CB PRO A 68 -2.461 -5.050 -8.145 1.00 73.44 C ATOM 1051 CG PRO A 68 -2.154 -3.970 -7.165 1.00 31.44 C ATOM 1052 CD PRO A 68 -1.366 -2.936 -7.922 1.00 3.44 C ATOM 0 HA PRO A 68 -2.291 -4.911 -10.342 1.00 32.03 H new ATOM 0 HB2 PRO A 68 -3.371 -5.585 -7.873 1.00 73.44 H new ATOM 0 HB3 PRO A 68 -1.659 -5.787 -8.187 1.00 73.44 H new ATOM 0 HG2 PRO A 68 -3.069 -3.541 -6.757 1.00 31.44 H new ATOM 0 HG3 PRO A 68 -1.581 -4.358 -6.323 1.00 31.44 H new ATOM 0 HD2 PRO A 68 -1.568 -1.929 -7.556 1.00 3.44 H new ATOM 0 HD3 PRO A 68 -0.293 -3.100 -7.828 1.00 3.44 H new ATOM 1060 N VAL A 69 -4.491 -2.782 -9.484 1.00 35.23 N ATOM 1061 CA VAL A 69 -5.871 -2.361 -9.698 1.00 61.22 C ATOM 1062 C VAL A 69 -6.117 -2.007 -11.160 1.00 10.22 C ATOM 1063 O VAL A 69 -7.085 -2.468 -11.767 1.00 33.20 O ATOM 1064 CB VAL A 69 -6.230 -1.148 -8.820 1.00 4.33 C ATOM 1065 CG1 VAL A 69 -7.495 -0.474 -9.330 1.00 70.41 C ATOM 1066 CG2 VAL A 69 -6.390 -1.571 -7.368 1.00 45.54 C ATOM 0 H VAL A 69 -3.879 -2.052 -9.118 1.00 35.23 H new ATOM 0 HA VAL A 69 -6.506 -3.202 -9.419 1.00 61.22 H new ATOM 0 HB VAL A 69 -5.415 -0.426 -8.877 1.00 4.33 H new ATOM 0 HG11 VAL A 69 -7.732 0.381 -8.697 1.00 70.41 H new ATOM 0 HG12 VAL A 69 -7.339 -0.135 -10.354 1.00 70.41 H new ATOM 0 HG13 VAL A 69 -8.321 -1.185 -9.305 1.00 70.41 H new ATOM 0 HG21 VAL A 69 -6.644 -0.702 -6.762 1.00 45.54 H new ATOM 0 HG22 VAL A 69 -7.186 -2.312 -7.290 1.00 45.54 H new ATOM 0 HG23 VAL A 69 -5.456 -2.003 -7.010 1.00 45.54 H new ATOM 1076 N LEU A 70 -5.237 -1.185 -11.721 1.00 21.02 N ATOM 1077 CA LEU A 70 -5.358 -0.768 -13.113 1.00 33.31 C ATOM 1078 C LEU A 70 -5.191 -1.957 -14.054 1.00 75.41 C ATOM 1079 O LEU A 70 -5.897 -2.073 -15.055 1.00 23.43 O ATOM 1080 CB LEU A 70 -4.317 0.304 -13.437 1.00 14.21 C ATOM 1081 CG LEU A 70 -2.882 -0.189 -13.626 1.00 14.02 C ATOM 1082 CD1 LEU A 70 -2.634 -0.570 -15.077 1.00 54.32 C ATOM 1083 CD2 LEU A 70 -1.890 0.874 -13.175 1.00 65.31 C ATOM 0 H LEU A 70 -4.431 -0.794 -11.233 1.00 21.02 H new ATOM 0 HA LEU A 70 -6.355 -0.352 -13.257 1.00 33.31 H new ATOM 0 HB2 LEU A 70 -4.626 0.819 -14.347 1.00 14.21 H new ATOM 0 HB3 LEU A 70 -4.324 1.042 -12.635 1.00 14.21 H new ATOM 0 HG LEU A 70 -2.739 -1.077 -13.010 1.00 14.02 H new ATOM 0 HD11 LEU A 70 -1.607 -0.918 -15.191 1.00 54.32 H new ATOM 0 HD12 LEU A 70 -3.321 -1.365 -15.367 1.00 54.32 H new ATOM 0 HD13 LEU A 70 -2.795 0.300 -15.714 1.00 54.32 H new ATOM 0 HD21 LEU A 70 -0.874 0.507 -13.316 1.00 65.31 H new ATOM 0 HD22 LEU A 70 -2.034 1.779 -13.765 1.00 65.31 H new ATOM 0 HD23 LEU A 70 -2.051 1.098 -12.121 1.00 65.31 H new ATOM 1095 N MET A 71 -4.250 -2.838 -13.724 1.00 12.55 N ATOM 1096 CA MET A 71 -3.993 -4.020 -14.539 1.00 55.14 C ATOM 1097 C MET A 71 -5.227 -4.914 -14.604 1.00 24.54 C ATOM 1098 O MET A 71 -5.401 -5.682 -15.551 1.00 63.25 O ATOM 1099 CB MET A 71 -2.808 -4.806 -13.975 1.00 54.14 C ATOM 1100 CG MET A 71 -3.157 -5.640 -12.754 1.00 51.54 C ATOM 1101 SD MET A 71 -1.844 -6.786 -12.296 1.00 64.51 S ATOM 1102 CE MET A 71 -2.644 -7.714 -10.989 1.00 62.41 C ATOM 0 H MET A 71 -3.655 -2.755 -12.900 1.00 12.55 H new ATOM 0 HA MET A 71 -3.752 -3.689 -15.549 1.00 55.14 H new ATOM 0 HB2 MET A 71 -2.415 -5.462 -14.752 1.00 54.14 H new ATOM 0 HB3 MET A 71 -2.012 -4.109 -13.713 1.00 54.14 H new ATOM 0 HG2 MET A 71 -3.365 -4.977 -11.914 1.00 51.54 H new ATOM 0 HG3 MET A 71 -4.071 -6.201 -12.951 1.00 51.54 H new ATOM 0 HE1 MET A 71 -2.231 -8.722 -10.953 1.00 62.41 H new ATOM 0 HE2 MET A 71 -2.474 -7.218 -10.034 1.00 62.41 H new ATOM 0 HE3 MET A 71 -3.715 -7.768 -11.184 1.00 62.41 H new ATOM 1112 N LYS A 72 -6.081 -4.812 -13.592 1.00 65.04 N ATOM 1113 CA LYS A 72 -7.299 -5.611 -13.533 1.00 20.23 C ATOM 1114 C LYS A 72 -8.310 -5.139 -14.573 1.00 72.52 C ATOM 1115 O LYS A 72 -9.100 -5.930 -15.090 1.00 74.10 O ATOM 1116 CB LYS A 72 -7.917 -5.536 -12.135 1.00 73.14 C ATOM 1117 CG LYS A 72 -9.254 -6.247 -12.021 1.00 32.32 C ATOM 1118 CD LYS A 72 -9.090 -7.757 -12.093 1.00 15.50 C ATOM 1119 CE LYS A 72 -9.501 -8.297 -13.454 1.00 30.03 C ATOM 1120 NZ LYS A 72 -10.008 -9.694 -13.366 1.00 21.22 N ATOM 0 H LYS A 72 -5.952 -4.183 -12.800 1.00 65.04 H new ATOM 0 HA LYS A 72 -7.035 -6.646 -13.751 1.00 20.23 H new ATOM 0 HB2 LYS A 72 -7.222 -5.970 -11.416 1.00 73.14 H new ATOM 0 HB3 LYS A 72 -8.047 -4.489 -11.860 1.00 73.14 H new ATOM 0 HG2 LYS A 72 -9.732 -5.976 -11.080 1.00 32.32 H new ATOM 0 HG3 LYS A 72 -9.914 -5.913 -12.821 1.00 32.32 H new ATOM 0 HD2 LYS A 72 -8.051 -8.021 -11.894 1.00 15.50 H new ATOM 0 HD3 LYS A 72 -9.693 -8.227 -11.316 1.00 15.50 H new ATOM 0 HE2 LYS A 72 -10.273 -7.657 -13.881 1.00 30.03 H new ATOM 0 HE3 LYS A 72 -8.648 -8.262 -14.131 1.00 30.03 H new ATOM 0 HZ1 LYS A 72 -10.262 -10.032 -14.316 1.00 21.22 H new ATOM 0 HZ2 LYS A 72 -9.269 -10.307 -12.967 1.00 21.22 H new ATOM 0 HZ3 LYS A 72 -10.848 -9.720 -12.753 1.00 21.22 H new ATOM 1134 N LEU A 73 -8.279 -3.846 -14.876 1.00 41.22 N ATOM 1135 CA LEU A 73 -9.193 -3.268 -15.856 1.00 75.43 C ATOM 1136 C LEU A 73 -8.843 -3.733 -17.266 1.00 12.20 C ATOM 1137 O LEU A 73 -9.719 -4.130 -18.035 1.00 23.33 O ATOM 1138 CB LEU A 73 -9.147 -1.741 -15.785 1.00 50.32 C ATOM 1139 CG LEU A 73 -9.007 -1.137 -14.387 1.00 33.15 C ATOM 1140 CD1 LEU A 73 -9.098 0.380 -14.449 1.00 3.15 C ATOM 1141 CD2 LEU A 73 -10.070 -1.700 -13.455 1.00 63.24 C ATOM 0 H LEU A 73 -7.631 -3.178 -14.458 1.00 41.22 H new ATOM 0 HA LEU A 73 -10.202 -3.607 -15.621 1.00 75.43 H new ATOM 0 HB2 LEU A 73 -8.312 -1.394 -16.394 1.00 50.32 H new ATOM 0 HB3 LEU A 73 -10.057 -1.349 -16.239 1.00 50.32 H new ATOM 0 HG LEU A 73 -8.027 -1.405 -13.992 1.00 33.15 H new ATOM 0 HD11 LEU A 73 -8.996 0.792 -13.445 1.00 3.15 H new ATOM 0 HD12 LEU A 73 -8.300 0.767 -15.083 1.00 3.15 H new ATOM 0 HD13 LEU A 73 -10.063 0.670 -14.864 1.00 3.15 H new ATOM 0 HD21 LEU A 73 -9.956 -1.260 -12.465 1.00 63.24 H new ATOM 0 HD22 LEU A 73 -11.059 -1.462 -13.846 1.00 63.24 H new ATOM 0 HD23 LEU A 73 -9.957 -2.782 -13.386 1.00 63.24 H new ATOM 1153 N LEU A 74 -7.558 -3.684 -17.599 1.00 62.33 N ATOM 1154 CA LEU A 74 -7.091 -4.103 -18.916 1.00 14.41 C ATOM 1155 C LEU A 74 -7.162 -5.619 -19.062 1.00 61.41 C ATOM 1156 O LEU A 74 -7.217 -6.142 -20.174 1.00 25.23 O ATOM 1157 CB LEU A 74 -5.657 -3.622 -19.147 1.00 13.44 C ATOM 1158 CG LEU A 74 -5.462 -2.108 -19.236 1.00 2.52 C ATOM 1159 CD1 LEU A 74 -6.488 -1.492 -20.175 1.00 1.34 C ATOM 1160 CD2 LEU A 74 -5.554 -1.477 -17.855 1.00 3.42 C ATOM 0 H LEU A 74 -6.820 -3.358 -16.975 1.00 62.33 H new ATOM 0 HA LEU A 74 -7.743 -3.654 -19.666 1.00 14.41 H new ATOM 0 HB2 LEU A 74 -5.033 -4.001 -18.338 1.00 13.44 H new ATOM 0 HB3 LEU A 74 -5.289 -4.070 -20.070 1.00 13.44 H new ATOM 0 HG LEU A 74 -4.468 -1.912 -19.638 1.00 2.52 H new ATOM 0 HD11 LEU A 74 -6.334 -0.414 -20.226 1.00 1.34 H new ATOM 0 HD12 LEU A 74 -6.375 -1.922 -21.170 1.00 1.34 H new ATOM 0 HD13 LEU A 74 -7.492 -1.698 -19.803 1.00 1.34 H new ATOM 0 HD21 LEU A 74 -5.413 -0.399 -17.937 1.00 3.42 H new ATOM 0 HD22 LEU A 74 -6.534 -1.683 -17.426 1.00 3.42 H new ATOM 0 HD23 LEU A 74 -4.781 -1.896 -17.211 1.00 3.42 H new ATOM 1172 N GLU A 75 -7.162 -6.318 -17.931 1.00 21.02 N ATOM 1173 CA GLU A 75 -7.227 -7.774 -17.933 1.00 21.44 C ATOM 1174 C GLU A 75 -8.552 -8.258 -18.514 1.00 2.53 C ATOM 1175 O GLU A 75 -8.578 -9.063 -19.445 1.00 73.04 O ATOM 1176 CB GLU A 75 -7.050 -8.318 -16.515 1.00 42.23 C ATOM 1177 CG GLU A 75 -7.580 -9.730 -16.333 1.00 43.12 C ATOM 1178 CD GLU A 75 -6.893 -10.732 -17.241 1.00 11.14 C ATOM 1179 OE1 GLU A 75 -7.589 -11.618 -17.781 1.00 41.25 O ATOM 1180 OE2 GLU A 75 -5.660 -10.631 -17.411 1.00 31.23 O ATOM 0 H GLU A 75 -7.118 -5.899 -17.002 1.00 21.02 H new ATOM 0 HA GLU A 75 -6.417 -8.147 -18.560 1.00 21.44 H new ATOM 0 HB2 GLU A 75 -5.991 -8.301 -16.258 1.00 42.23 H new ATOM 0 HB3 GLU A 75 -7.559 -7.655 -15.815 1.00 42.23 H new ATOM 0 HG2 GLU A 75 -7.445 -10.034 -15.295 1.00 43.12 H new ATOM 0 HG3 GLU A 75 -8.652 -9.740 -16.532 1.00 43.12 H new ATOM 1188 N GLU A 76 -9.653 -7.762 -17.955 1.00 22.45 N ATOM 1189 CA GLU A 76 -10.982 -8.146 -18.416 1.00 13.33 C ATOM 1190 C GLU A 76 -11.348 -7.405 -19.699 1.00 74.04 C ATOM 1191 O GLU A 76 -12.000 -7.958 -20.583 1.00 23.34 O ATOM 1192 CB GLU A 76 -12.024 -7.858 -17.333 1.00 22.52 C ATOM 1193 CG GLU A 76 -11.726 -8.537 -16.007 1.00 24.20 C ATOM 1194 CD GLU A 76 -12.575 -7.998 -14.871 1.00 75.15 C ATOM 1195 OE1 GLU A 76 -13.471 -8.729 -14.402 1.00 41.23 O ATOM 1196 OE2 GLU A 76 -12.343 -6.844 -14.453 1.00 20.00 O ATOM 0 H GLU A 76 -9.650 -7.095 -17.184 1.00 22.45 H new ATOM 0 HA GLU A 76 -10.971 -9.216 -18.625 1.00 13.33 H new ATOM 0 HB2 GLU A 76 -12.084 -6.781 -17.175 1.00 22.52 H new ATOM 0 HB3 GLU A 76 -13.003 -8.183 -17.686 1.00 22.52 H new ATOM 0 HG2 GLU A 76 -11.896 -9.609 -16.106 1.00 24.20 H new ATOM 0 HG3 GLU A 76 -10.672 -8.403 -15.763 1.00 24.20 H new ATOM 1204 N ALA A 77 -10.923 -6.149 -19.790 1.00 32.45 N ATOM 1205 CA ALA A 77 -11.204 -5.332 -20.965 1.00 41.12 C ATOM 1206 C ALA A 77 -10.336 -5.750 -22.146 1.00 65.31 C ATOM 1207 O ALA A 77 -10.633 -5.425 -23.294 1.00 3.23 O ATOM 1208 CB ALA A 77 -10.992 -3.859 -20.646 1.00 70.44 C ATOM 0 H ALA A 77 -10.384 -5.675 -19.065 1.00 32.45 H new ATOM 0 HA ALA A 77 -12.247 -5.486 -21.243 1.00 41.12 H new ATOM 0 HB1 ALA A 77 -11.205 -3.261 -21.532 1.00 70.44 H new ATOM 0 HB2 ALA A 77 -11.660 -3.562 -19.838 1.00 70.44 H new ATOM 0 HB3 ALA A 77 -9.958 -3.698 -20.340 1.00 70.44 H new ATOM 1214 N GLY A 78 -9.258 -6.474 -21.855 1.00 12.30 N ATOM 1215 CA GLY A 78 -8.362 -6.924 -22.905 1.00 3.20 C ATOM 1216 C GLY A 78 -7.361 -5.860 -23.308 1.00 21.31 C ATOM 1217 O GLY A 78 -6.666 -6.002 -24.313 1.00 12.32 O ATOM 0 H GLY A 78 -8.990 -6.756 -20.912 1.00 12.30 H new ATOM 0 HA2 GLY A 78 -7.828 -7.812 -22.567 1.00 3.20 H new ATOM 0 HA3 GLY A 78 -8.947 -7.217 -23.777 1.00 3.20 H new ATOM 1221 N GLY A 79 -7.287 -4.791 -22.522 1.00 41.33 N ATOM 1222 CA GLY A 79 -6.362 -3.713 -22.820 1.00 21.55 C ATOM 1223 C GLY A 79 -7.024 -2.567 -23.557 1.00 43.31 C ATOM 1224 O GLY A 79 -6.437 -1.983 -24.467 1.00 71.14 O ATOM 0 H GLY A 79 -7.851 -4.652 -21.684 1.00 41.33 H new ATOM 0 HA2 GLY A 79 -5.930 -3.342 -21.891 1.00 21.55 H new ATOM 0 HA3 GLY A 79 -5.539 -4.100 -23.421 1.00 21.55 H new ATOM 1228 N ASN A 80 -8.253 -2.246 -23.165 1.00 74.13 N ATOM 1229 CA ASN A 80 -8.998 -1.162 -23.797 1.00 23.43 C ATOM 1230 C ASN A 80 -9.278 -0.041 -22.801 1.00 54.13 C ATOM 1231 O ASN A 80 -10.097 -0.192 -21.895 1.00 72.02 O ATOM 1232 CB ASN A 80 -10.314 -1.688 -24.372 1.00 31.12 C ATOM 1233 CG ASN A 80 -10.615 -1.118 -25.744 1.00 35.12 C ATOM 1234 OD1 ASN A 80 -10.926 0.172 -25.794 1.00 74.32 O flip ATOM 1235 ND2 ASN A 80 -10.567 -1.828 -26.749 1.00 51.23 N flip ATOM 0 H ASN A 80 -8.754 -2.720 -22.414 1.00 74.13 H new ATOM 0 HA ASN A 80 -8.389 -0.760 -24.607 1.00 23.43 H new ATOM 0 HB2 ASN A 80 -10.271 -2.775 -24.435 1.00 31.12 H new ATOM 0 HB3 ASN A 80 -11.129 -1.440 -23.692 1.00 31.12 H new ATOM 0 HD21 ASN A 80 -10.324 -2.815 -26.665 1.00 51.23 H new ATOM 0 HD22 ASN A 80 -10.771 -1.429 -27.665 1.00 51.23 H new ATOM 1242 N TRP A 81 -8.592 1.083 -22.977 1.00 43.43 N ATOM 1243 CA TRP A 81 -8.767 2.230 -22.093 1.00 71.24 C ATOM 1244 C TRP A 81 -9.941 3.092 -22.545 1.00 22.35 C ATOM 1245 O TRP A 81 -10.490 3.867 -21.764 1.00 54.23 O ATOM 1246 CB TRP A 81 -7.488 3.069 -22.053 1.00 0.42 C ATOM 1247 CG TRP A 81 -6.282 2.293 -21.618 1.00 30.20 C ATOM 1248 CD1 TRP A 81 -5.545 1.431 -22.377 1.00 25.12 C ATOM 1249 CD2 TRP A 81 -5.675 2.309 -20.321 1.00 20.43 C ATOM 1250 NE1 TRP A 81 -4.515 0.908 -21.631 1.00 0.44 N ATOM 1251 CE2 TRP A 81 -4.573 1.432 -20.366 1.00 35.14 C ATOM 1252 CE3 TRP A 81 -5.953 2.979 -19.128 1.00 51.34 C ATOM 1253 CZ2 TRP A 81 -3.753 1.210 -19.264 1.00 3.50 C ATOM 1254 CZ3 TRP A 81 -5.139 2.758 -18.034 1.00 45.52 C ATOM 1255 CH2 TRP A 81 -4.050 1.879 -18.107 1.00 75.43 C ATOM 0 H TRP A 81 -7.910 1.225 -23.723 1.00 43.43 H new ATOM 0 HA TRP A 81 -8.980 1.856 -21.091 1.00 71.24 H new ATOM 0 HB2 TRP A 81 -7.305 3.487 -23.043 1.00 0.42 H new ATOM 0 HB3 TRP A 81 -7.634 3.910 -21.375 1.00 0.42 H new ATOM 0 HD1 TRP A 81 -5.742 1.194 -23.412 1.00 25.12 H new ATOM 0 HE1 TRP A 81 -3.821 0.239 -21.965 1.00 0.44 H new ATOM 0 HE3 TRP A 81 -6.790 3.658 -19.062 1.00 51.34 H new ATOM 0 HZ2 TRP A 81 -2.912 0.534 -19.319 1.00 3.50 H new ATOM 0 HZ3 TRP A 81 -5.345 3.271 -17.107 1.00 45.52 H new ATOM 0 HH2 TRP A 81 -3.433 1.726 -17.234 1.00 75.43 H new ATOM 1266 N SER A 82 -10.321 2.949 -23.811 1.00 74.21 N ATOM 1267 CA SER A 82 -11.427 3.717 -24.368 1.00 52.34 C ATOM 1268 C SER A 82 -12.675 3.578 -23.502 1.00 0.30 C ATOM 1269 O SER A 82 -13.378 4.555 -23.243 1.00 13.23 O ATOM 1270 CB SER A 82 -11.729 3.256 -25.796 1.00 41.55 C ATOM 1271 OG SER A 82 -12.610 4.155 -26.446 1.00 5.52 O ATOM 0 H SER A 82 -9.879 2.308 -24.470 1.00 74.21 H new ATOM 0 HA SER A 82 -11.134 4.767 -24.387 1.00 52.34 H new ATOM 0 HB2 SER A 82 -10.800 3.180 -26.361 1.00 41.55 H new ATOM 0 HB3 SER A 82 -12.171 2.260 -25.774 1.00 41.55 H new ATOM 0 HG SER A 82 -12.786 3.839 -27.357 1.00 5.52 H new ATOM 1277 N TYR A 83 -12.945 2.356 -23.056 1.00 64.43 N ATOM 1278 CA TYR A 83 -14.109 2.087 -22.220 1.00 20.30 C ATOM 1279 C TYR A 83 -13.788 2.320 -20.747 1.00 20.13 C ATOM 1280 O TYR A 83 -14.560 2.951 -20.025 1.00 71.12 O ATOM 1281 CB TYR A 83 -14.589 0.649 -22.427 1.00 12.22 C ATOM 1282 CG TYR A 83 -15.467 0.137 -21.308 1.00 51.51 C ATOM 1283 CD1 TYR A 83 -16.846 0.300 -21.350 1.00 1.14 C ATOM 1284 CD2 TYR A 83 -14.918 -0.509 -20.208 1.00 65.21 C ATOM 1285 CE1 TYR A 83 -17.652 -0.166 -20.329 1.00 34.15 C ATOM 1286 CE2 TYR A 83 -15.716 -0.979 -19.184 1.00 43.04 C ATOM 1287 CZ TYR A 83 -17.082 -0.805 -19.249 1.00 1.41 C ATOM 1288 OH TYR A 83 -17.881 -1.271 -18.229 1.00 61.10 O ATOM 0 H TYR A 83 -12.373 1.536 -23.260 1.00 64.43 H new ATOM 0 HA TYR A 83 -14.902 2.775 -22.513 1.00 20.30 H new ATOM 0 HB2 TYR A 83 -15.140 0.590 -23.366 1.00 12.22 H new ATOM 0 HB3 TYR A 83 -13.722 -0.004 -22.525 1.00 12.22 H new ATOM 0 HD1 TYR A 83 -17.296 0.800 -22.195 1.00 1.14 H new ATOM 0 HD2 TYR A 83 -13.848 -0.646 -20.153 1.00 65.21 H new ATOM 0 HE1 TYR A 83 -18.722 -0.030 -20.377 1.00 34.15 H new ATOM 0 HE2 TYR A 83 -15.272 -1.480 -18.337 1.00 43.04 H new ATOM 0 HH TYR A 83 -17.323 -1.697 -17.545 1.00 61.10 H new ATOM 1298 N ILE A 84 -12.643 1.807 -20.310 1.00 41.34 N ATOM 1299 CA ILE A 84 -12.218 1.960 -18.923 1.00 35.01 C ATOM 1300 C ILE A 84 -12.117 3.433 -18.539 1.00 32.52 C ATOM 1301 O ILE A 84 -12.230 3.789 -17.366 1.00 32.11 O ATOM 1302 CB ILE A 84 -10.860 1.280 -18.672 1.00 75.31 C ATOM 1303 CG1 ILE A 84 -10.970 -0.229 -18.899 1.00 63.15 C ATOM 1304 CG2 ILE A 84 -10.372 1.576 -17.262 1.00 22.22 C ATOM 1305 CD1 ILE A 84 -9.632 -0.934 -18.940 1.00 41.23 C ATOM 0 H ILE A 84 -11.993 1.282 -20.895 1.00 41.34 H new ATOM 0 HA ILE A 84 -12.975 1.477 -18.305 1.00 35.01 H new ATOM 0 HB ILE A 84 -10.133 1.682 -19.378 1.00 75.31 H new ATOM 0 HG12 ILE A 84 -11.577 -0.664 -18.105 1.00 63.15 H new ATOM 0 HG13 ILE A 84 -11.495 -0.410 -19.837 1.00 63.15 H new ATOM 0 HG21 ILE A 84 -9.411 1.088 -17.100 1.00 22.22 H new ATOM 0 HG22 ILE A 84 -10.259 2.653 -17.135 1.00 22.22 H new ATOM 0 HG23 ILE A 84 -11.096 1.199 -16.540 1.00 22.22 H new ATOM 0 HD11 ILE A 84 -9.787 -2.000 -19.104 1.00 41.23 H new ATOM 0 HD12 ILE A 84 -9.030 -0.526 -19.752 1.00 41.23 H new ATOM 0 HD13 ILE A 84 -9.113 -0.784 -17.993 1.00 41.23 H new ATOM 1317 N LYS A 85 -11.902 4.284 -19.537 1.00 40.53 N ATOM 1318 CA LYS A 85 -11.788 5.719 -19.305 1.00 55.43 C ATOM 1319 C LYS A 85 -13.100 6.429 -19.626 1.00 43.41 C ATOM 1320 O LYS A 85 -13.199 7.652 -19.519 1.00 72.25 O ATOM 1321 CB LYS A 85 -10.659 6.305 -20.156 1.00 12.10 C ATOM 1322 CG LYS A 85 -11.126 6.858 -21.491 1.00 52.21 C ATOM 1323 CD LYS A 85 -10.026 6.796 -22.537 1.00 3.14 C ATOM 1324 CE LYS A 85 -8.713 7.341 -21.998 1.00 61.35 C ATOM 1325 NZ LYS A 85 -8.881 8.690 -21.389 1.00 73.21 N ATOM 0 H LYS A 85 -11.803 4.005 -20.513 1.00 40.53 H new ATOM 0 HA LYS A 85 -11.560 5.874 -18.250 1.00 55.43 H new ATOM 0 HB2 LYS A 85 -10.168 7.100 -19.595 1.00 12.10 H new ATOM 0 HB3 LYS A 85 -9.911 5.532 -20.334 1.00 12.10 H new ATOM 0 HG2 LYS A 85 -11.991 6.292 -21.838 1.00 52.21 H new ATOM 0 HG3 LYS A 85 -11.451 7.891 -21.364 1.00 52.21 H new ATOM 0 HD2 LYS A 85 -9.888 5.764 -22.860 1.00 3.14 H new ATOM 0 HD3 LYS A 85 -10.325 7.368 -23.415 1.00 3.14 H new ATOM 0 HE2 LYS A 85 -8.313 6.653 -21.253 1.00 61.35 H new ATOM 0 HE3 LYS A 85 -7.983 7.395 -22.806 1.00 61.35 H new ATOM 0 HZ1 LYS A 85 -8.069 9.289 -21.642 1.00 73.21 H new ATOM 0 HZ2 LYS A 85 -9.756 9.125 -21.745 1.00 73.21 H new ATOM 0 HZ3 LYS A 85 -8.935 8.599 -20.354 1.00 73.21 H new ATOM 1339 N LEU A 86 -14.106 5.654 -20.018 1.00 41.05 N ATOM 1340 CA LEU A 86 -15.413 6.208 -20.352 1.00 70.23 C ATOM 1341 C LEU A 86 -16.044 6.885 -19.140 1.00 60.23 C ATOM 1342 O LEU A 86 -16.980 7.673 -19.273 1.00 11.14 O ATOM 1343 CB LEU A 86 -16.338 5.107 -20.873 1.00 25.20 C ATOM 1344 CG LEU A 86 -17.528 5.570 -21.713 1.00 73.42 C ATOM 1345 CD1 LEU A 86 -17.798 4.591 -22.845 1.00 51.15 C ATOM 1346 CD2 LEU A 86 -18.764 5.735 -20.841 1.00 3.44 C ATOM 0 H LEU A 86 -14.041 4.640 -20.112 1.00 41.05 H new ATOM 0 HA LEU A 86 -15.273 6.957 -21.132 1.00 70.23 H new ATOM 0 HB2 LEU A 86 -15.745 4.415 -21.471 1.00 25.20 H new ATOM 0 HB3 LEU A 86 -16.718 4.546 -20.019 1.00 25.20 H new ATOM 0 HG LEU A 86 -17.284 6.538 -22.150 1.00 73.42 H new ATOM 0 HD11 LEU A 86 -18.649 4.938 -23.431 1.00 51.15 H new ATOM 0 HD12 LEU A 86 -16.919 4.524 -23.486 1.00 51.15 H new ATOM 0 HD13 LEU A 86 -18.020 3.608 -22.430 1.00 51.15 H new ATOM 0 HD21 LEU A 86 -19.601 6.065 -21.456 1.00 3.44 H new ATOM 0 HD22 LEU A 86 -19.010 4.781 -20.374 1.00 3.44 H new ATOM 0 HD23 LEU A 86 -18.567 6.477 -20.067 1.00 3.44 H new ATOM 1358 N ASP A 87 -15.523 6.575 -17.957 1.00 21.24 N ATOM 1359 CA ASP A 87 -16.033 7.157 -16.721 1.00 20.23 C ATOM 1360 C ASP A 87 -14.892 7.702 -15.867 1.00 40.41 C ATOM 1361 O ASP A 87 -15.005 7.785 -14.645 1.00 61.44 O ATOM 1362 CB ASP A 87 -16.825 6.114 -15.931 1.00 23.42 C ATOM 1363 CG ASP A 87 -17.767 5.314 -16.809 1.00 33.14 C ATOM 1364 OD1 ASP A 87 -17.286 4.419 -17.535 1.00 12.54 O ATOM 1365 OD2 ASP A 87 -18.985 5.584 -16.770 1.00 31.11 O ATOM 0 H ASP A 87 -14.748 5.924 -17.828 1.00 21.24 H new ATOM 0 HA ASP A 87 -16.695 7.983 -16.982 1.00 20.23 H new ATOM 0 HB2 ASP A 87 -16.132 5.435 -15.435 1.00 23.42 H new ATOM 0 HB3 ASP A 87 -17.398 6.613 -15.149 1.00 23.42 H new ATOM 1371 N ASN A 88 -13.796 8.072 -16.520 1.00 64.43 N ATOM 1372 CA ASN A 88 -12.633 8.608 -15.819 1.00 12.21 C ATOM 1373 C ASN A 88 -11.998 7.546 -14.926 1.00 13.12 C ATOM 1374 O ASN A 88 -11.614 7.824 -13.790 1.00 34.42 O ATOM 1375 CB ASN A 88 -13.035 9.823 -14.980 1.00 61.55 C ATOM 1376 CG ASN A 88 -11.995 10.927 -15.029 1.00 12.44 C ATOM 1377 OD1 ASN A 88 -10.739 10.568 -14.792 1.00 72.11 O flip ATOM 1378 ND2 ASN A 88 -12.320 12.088 -15.278 1.00 14.41 N flip ATOM 0 H ASN A 88 -13.688 8.011 -17.532 1.00 64.43 H new ATOM 0 HA ASN A 88 -11.899 8.915 -16.564 1.00 12.21 H new ATOM 0 HB2 ASN A 88 -13.989 10.210 -15.339 1.00 61.55 H new ATOM 0 HB3 ASN A 88 -13.185 9.514 -13.946 1.00 61.55 H new ATOM 0 HD21 ASN A 88 -13.298 12.317 -15.454 1.00 14.41 H new ATOM 0 HD22 ASN A 88 -11.611 12.821 -15.309 1.00 14.41 H new ATOM 1385 N TYR A 89 -11.892 6.329 -15.449 1.00 40.33 N ATOM 1386 CA TYR A 89 -11.305 5.225 -14.699 1.00 23.44 C ATOM 1387 C TYR A 89 -12.092 4.955 -13.421 1.00 4.01 C ATOM 1388 O TYR A 89 -11.515 4.702 -12.362 1.00 74.05 O ATOM 1389 CB TYR A 89 -9.846 5.531 -14.357 1.00 34.00 C ATOM 1390 CG TYR A 89 -8.984 5.802 -15.570 1.00 64.33 C ATOM 1391 CD1 TYR A 89 -9.281 5.229 -16.800 1.00 42.13 C ATOM 1392 CD2 TYR A 89 -7.873 6.632 -15.485 1.00 71.51 C ATOM 1393 CE1 TYR A 89 -8.496 5.473 -17.910 1.00 22.31 C ATOM 1394 CE2 TYR A 89 -7.083 6.883 -16.590 1.00 53.11 C ATOM 1395 CZ TYR A 89 -7.398 6.301 -17.801 1.00 43.40 C ATOM 1396 OH TYR A 89 -6.614 6.548 -18.904 1.00 12.11 O ATOM 0 H TYR A 89 -12.205 6.083 -16.388 1.00 40.33 H new ATOM 0 HA TYR A 89 -11.345 4.333 -15.325 1.00 23.44 H new ATOM 0 HB2 TYR A 89 -9.810 6.397 -13.696 1.00 34.00 H new ATOM 0 HB3 TYR A 89 -9.427 4.690 -13.804 1.00 34.00 H new ATOM 0 HD1 TYR A 89 -10.141 4.581 -16.890 1.00 42.13 H new ATOM 0 HD2 TYR A 89 -7.623 7.089 -14.539 1.00 71.51 H new ATOM 0 HE1 TYR A 89 -8.741 5.018 -18.858 1.00 22.31 H new ATOM 0 HE2 TYR A 89 -6.223 7.531 -16.507 1.00 53.11 H new ATOM 0 HH TYR A 89 -6.221 5.708 -19.221 1.00 12.11 H new ATOM 1406 N THR A 90 -13.416 5.009 -13.526 1.00 53.40 N ATOM 1407 CA THR A 90 -14.285 4.772 -12.380 1.00 22.12 C ATOM 1408 C THR A 90 -13.947 3.450 -11.699 1.00 13.41 C ATOM 1409 O THR A 90 -14.108 3.307 -10.487 1.00 2.51 O ATOM 1410 CB THR A 90 -15.769 4.758 -12.793 1.00 33.20 C ATOM 1411 OG1 THR A 90 -16.198 6.084 -13.122 1.00 11.10 O ATOM 1412 CG2 THR A 90 -16.637 4.203 -11.674 1.00 11.21 C ATOM 0 H THR A 90 -13.910 5.215 -14.394 1.00 53.40 H new ATOM 0 HA THR A 90 -14.118 5.592 -11.681 1.00 22.12 H new ATOM 0 HB THR A 90 -15.874 4.115 -13.666 1.00 33.20 H new ATOM 0 HG1 THR A 90 -15.465 6.566 -13.558 1.00 11.10 H new ATOM 0 HG21 THR A 90 -17.681 4.203 -11.989 1.00 11.21 H new ATOM 0 HG22 THR A 90 -16.327 3.183 -11.445 1.00 11.21 H new ATOM 0 HG23 THR A 90 -16.526 4.824 -10.785 1.00 11.21 H new ATOM 1420 N ALA A 91 -13.477 2.488 -12.485 1.00 3.43 N ATOM 1421 CA ALA A 91 -13.114 1.179 -11.956 1.00 42.02 C ATOM 1422 C ALA A 91 -12.126 1.309 -10.801 1.00 2.25 C ATOM 1423 O ALA A 91 -12.181 0.546 -9.836 1.00 4.11 O ATOM 1424 CB ALA A 91 -12.529 0.308 -13.058 1.00 75.30 C ATOM 0 H ALA A 91 -13.339 2.590 -13.490 1.00 3.43 H new ATOM 0 HA ALA A 91 -14.018 0.705 -11.575 1.00 42.02 H new ATOM 0 HB1 ALA A 91 -12.262 -0.666 -12.649 1.00 75.30 H new ATOM 0 HB2 ALA A 91 -13.267 0.179 -13.850 1.00 75.30 H new ATOM 0 HB3 ALA A 91 -11.638 0.786 -13.466 1.00 75.30 H new ATOM 1430 N LEU A 92 -11.224 2.277 -10.907 1.00 41.02 N ATOM 1431 CA LEU A 92 -10.223 2.507 -9.870 1.00 23.33 C ATOM 1432 C LEU A 92 -10.872 3.014 -8.587 1.00 14.14 C ATOM 1433 O LEU A 92 -10.418 2.709 -7.485 1.00 21.30 O ATOM 1434 CB LEU A 92 -9.176 3.510 -10.358 1.00 54.04 C ATOM 1435 CG LEU A 92 -9.539 4.987 -10.202 1.00 12.34 C ATOM 1436 CD1 LEU A 92 -9.093 5.507 -8.845 1.00 74.52 C ATOM 1437 CD2 LEU A 92 -8.919 5.811 -11.321 1.00 23.35 C ATOM 0 H LEU A 92 -11.164 2.916 -11.700 1.00 41.02 H new ATOM 0 HA LEU A 92 -9.734 1.557 -9.655 1.00 23.33 H new ATOM 0 HB2 LEU A 92 -8.247 3.326 -9.819 1.00 54.04 H new ATOM 0 HB3 LEU A 92 -8.978 3.314 -11.412 1.00 54.04 H new ATOM 0 HG LEU A 92 -10.623 5.082 -10.266 1.00 12.34 H new ATOM 0 HD11 LEU A 92 -9.360 6.560 -8.753 1.00 74.52 H new ATOM 0 HD12 LEU A 92 -9.586 4.937 -8.057 1.00 74.52 H new ATOM 0 HD13 LEU A 92 -8.013 5.397 -8.750 1.00 74.52 H new ATOM 0 HD21 LEU A 92 -9.188 6.859 -11.193 1.00 23.35 H new ATOM 0 HD22 LEU A 92 -7.834 5.709 -11.290 1.00 23.35 H new ATOM 0 HD23 LEU A 92 -9.290 5.456 -12.283 1.00 23.35 H new ATOM 1449 N VAL A 93 -11.941 3.790 -8.739 1.00 32.13 N ATOM 1450 CA VAL A 93 -12.656 4.338 -7.593 1.00 11.44 C ATOM 1451 C VAL A 93 -13.296 3.230 -6.763 1.00 41.25 C ATOM 1452 O VAL A 93 -13.142 3.188 -5.542 1.00 63.21 O ATOM 1453 CB VAL A 93 -13.751 5.328 -8.035 1.00 75.24 C ATOM 1454 CG1 VAL A 93 -14.690 5.638 -6.879 1.00 25.02 C ATOM 1455 CG2 VAL A 93 -13.125 6.603 -8.580 1.00 53.53 C ATOM 0 H VAL A 93 -12.330 4.053 -9.644 1.00 32.13 H new ATOM 0 HA VAL A 93 -11.921 4.866 -6.986 1.00 11.44 H new ATOM 0 HB VAL A 93 -14.335 4.866 -8.831 1.00 75.24 H new ATOM 0 HG11 VAL A 93 -15.456 6.339 -7.211 1.00 25.02 H new ATOM 0 HG12 VAL A 93 -15.163 4.717 -6.538 1.00 25.02 H new ATOM 0 HG13 VAL A 93 -14.124 6.080 -6.059 1.00 25.02 H new ATOM 0 HG21 VAL A 93 -13.912 7.292 -8.888 1.00 53.53 H new ATOM 0 HG22 VAL A 93 -12.517 7.070 -7.805 1.00 53.53 H new ATOM 0 HG23 VAL A 93 -12.497 6.362 -9.438 1.00 53.53 H new ATOM 1465 N ASP A 94 -14.013 2.335 -7.433 1.00 60.41 N ATOM 1466 CA ASP A 94 -14.674 1.224 -6.758 1.00 64.35 C ATOM 1467 C ASP A 94 -13.663 0.159 -6.346 1.00 23.23 C ATOM 1468 O ASP A 94 -13.854 -0.542 -5.353 1.00 24.14 O ATOM 1469 CB ASP A 94 -15.740 0.609 -7.666 1.00 62.12 C ATOM 1470 CG ASP A 94 -16.799 -0.144 -6.887 1.00 5.22 C ATOM 1471 OD1 ASP A 94 -16.475 -1.208 -6.318 1.00 34.50 O ATOM 1472 OD2 ASP A 94 -17.954 0.330 -6.845 1.00 42.25 O ATOM 0 H ASP A 94 -14.152 2.357 -8.443 1.00 60.41 H new ATOM 0 HA ASP A 94 -15.153 1.611 -5.859 1.00 64.35 H new ATOM 0 HB2 ASP A 94 -16.215 1.398 -8.250 1.00 62.12 H new ATOM 0 HB3 ASP A 94 -15.263 -0.069 -8.374 1.00 62.12 H new ATOM 1478 N ALA A 95 -12.586 0.042 -7.117 1.00 14.55 N ATOM 1479 CA ALA A 95 -11.545 -0.937 -6.833 1.00 2.10 C ATOM 1480 C ALA A 95 -10.717 -0.521 -5.622 1.00 61.51 C ATOM 1481 O ALA A 95 -10.617 -1.261 -4.643 1.00 61.54 O ATOM 1482 CB ALA A 95 -10.649 -1.125 -8.048 1.00 51.22 C ATOM 0 H ALA A 95 -12.412 0.614 -7.944 1.00 14.55 H new ATOM 0 HA ALA A 95 -12.028 -1.887 -6.602 1.00 2.10 H new ATOM 0 HB1 ALA A 95 -9.876 -1.859 -7.820 1.00 51.22 H new ATOM 0 HB2 ALA A 95 -11.246 -1.476 -8.890 1.00 51.22 H new ATOM 0 HB3 ALA A 95 -10.182 -0.175 -8.306 1.00 51.22 H new ATOM 1488 N ILE A 96 -10.125 0.666 -5.695 1.00 75.11 N ATOM 1489 CA ILE A 96 -9.306 1.180 -4.605 1.00 42.43 C ATOM 1490 C ILE A 96 -10.108 1.274 -3.311 1.00 34.24 C ATOM 1491 O ILE A 96 -9.592 1.003 -2.227 1.00 63.41 O ATOM 1492 CB ILE A 96 -8.729 2.568 -4.939 1.00 11.43 C ATOM 1493 CG1 ILE A 96 -7.789 2.477 -6.143 1.00 73.34 C ATOM 1494 CG2 ILE A 96 -8.002 3.144 -3.734 1.00 72.35 C ATOM 1495 CD1 ILE A 96 -6.549 1.652 -5.879 1.00 24.52 C ATOM 0 H ILE A 96 -10.197 1.290 -6.498 1.00 75.11 H new ATOM 0 HA ILE A 96 -8.484 0.477 -4.471 1.00 42.43 H new ATOM 0 HB ILE A 96 -9.552 3.236 -5.194 1.00 11.43 H new ATOM 0 HG12 ILE A 96 -8.330 2.046 -6.985 1.00 73.34 H new ATOM 0 HG13 ILE A 96 -7.491 3.483 -6.438 1.00 73.34 H new ATOM 0 HG21 ILE A 96 -7.600 4.125 -3.986 1.00 72.35 H new ATOM 0 HG22 ILE A 96 -8.698 3.240 -2.901 1.00 72.35 H new ATOM 0 HG23 ILE A 96 -7.186 2.480 -3.450 1.00 72.35 H new ATOM 0 HD11 ILE A 96 -5.929 1.631 -6.775 1.00 24.52 H new ATOM 0 HD12 ILE A 96 -5.985 2.095 -5.058 1.00 24.52 H new ATOM 0 HD13 ILE A 96 -6.838 0.635 -5.614 1.00 24.52 H new ATOM 1507 N TYR A 97 -11.374 1.657 -3.434 1.00 73.31 N ATOM 1508 CA TYR A 97 -12.249 1.787 -2.274 1.00 71.42 C ATOM 1509 C TYR A 97 -12.388 0.455 -1.545 1.00 25.11 C ATOM 1510 O TYR A 97 -12.505 0.414 -0.319 1.00 30.45 O ATOM 1511 CB TYR A 97 -13.627 2.292 -2.703 1.00 33.24 C ATOM 1512 CG TYR A 97 -13.765 3.796 -2.646 1.00 53.44 C ATOM 1513 CD1 TYR A 97 -12.731 4.626 -3.063 1.00 22.34 C ATOM 1514 CD2 TYR A 97 -14.930 4.390 -2.174 1.00 62.23 C ATOM 1515 CE1 TYR A 97 -12.852 6.000 -3.012 1.00 33.10 C ATOM 1516 CE2 TYR A 97 -15.060 5.765 -2.121 1.00 24.15 C ATOM 1517 CZ TYR A 97 -14.019 6.565 -2.541 1.00 21.20 C ATOM 1518 OH TYR A 97 -14.145 7.934 -2.488 1.00 42.22 O ATOM 0 H TYR A 97 -11.817 1.883 -4.324 1.00 73.31 H new ATOM 0 HA TYR A 97 -11.801 2.509 -1.592 1.00 71.42 H new ATOM 0 HB2 TYR A 97 -13.828 1.955 -3.720 1.00 33.24 H new ATOM 0 HB3 TYR A 97 -14.385 1.841 -2.063 1.00 33.24 H new ATOM 0 HD1 TYR A 97 -11.816 4.188 -3.434 1.00 22.34 H new ATOM 0 HD2 TYR A 97 -15.747 3.766 -1.843 1.00 62.23 H new ATOM 0 HE1 TYR A 97 -12.037 6.629 -3.339 1.00 33.10 H new ATOM 0 HE2 TYR A 97 -15.972 6.210 -1.752 1.00 24.15 H new ATOM 0 HH TYR A 97 -15.028 8.168 -2.133 1.00 42.22 H new ATOM 1528 N SER A 98 -12.373 -0.634 -2.307 1.00 1.34 N ATOM 1529 CA SER A 98 -12.500 -1.970 -1.734 1.00 20.04 C ATOM 1530 C SER A 98 -11.187 -2.415 -1.098 1.00 44.33 C ATOM 1531 O SER A 98 -11.146 -2.778 0.078 1.00 22.03 O ATOM 1532 CB SER A 98 -12.923 -2.971 -2.811 1.00 34.42 C ATOM 1533 OG SER A 98 -12.465 -4.276 -2.503 1.00 74.35 O ATOM 0 H SER A 98 -12.274 -0.618 -3.322 1.00 1.34 H new ATOM 0 HA SER A 98 -13.266 -1.935 -0.959 1.00 20.04 H new ATOM 0 HB2 SER A 98 -14.009 -2.975 -2.901 1.00 34.42 H new ATOM 0 HB3 SER A 98 -12.524 -2.661 -3.777 1.00 34.42 H new ATOM 0 HG SER A 98 -12.750 -4.897 -3.206 1.00 74.35 H new ATOM 1539 N VAL A 99 -10.115 -2.384 -1.882 1.00 11.42 N ATOM 1540 CA VAL A 99 -8.800 -2.783 -1.396 1.00 33.24 C ATOM 1541 C VAL A 99 -8.376 -1.936 -0.202 1.00 33.41 C ATOM 1542 O VAL A 99 -7.911 -2.461 0.810 1.00 31.14 O ATOM 1543 CB VAL A 99 -7.733 -2.664 -2.502 1.00 3.30 C ATOM 1544 CG1 VAL A 99 -6.410 -3.251 -2.033 1.00 40.42 C ATOM 1545 CG2 VAL A 99 -8.208 -3.349 -3.775 1.00 53.34 C ATOM 0 H VAL A 99 -10.131 -2.086 -2.857 1.00 11.42 H new ATOM 0 HA VAL A 99 -8.879 -3.826 -1.088 1.00 33.24 H new ATOM 0 HB VAL A 99 -7.577 -1.608 -2.721 1.00 3.30 H new ATOM 0 HG11 VAL A 99 -5.669 -3.158 -2.827 1.00 40.42 H new ATOM 0 HG12 VAL A 99 -6.066 -2.712 -1.150 1.00 40.42 H new ATOM 0 HG13 VAL A 99 -6.546 -4.304 -1.785 1.00 40.42 H new ATOM 0 HG21 VAL A 99 -7.443 -3.256 -4.546 1.00 53.34 H new ATOM 0 HG22 VAL A 99 -8.393 -4.404 -3.573 1.00 53.34 H new ATOM 0 HG23 VAL A 99 -9.129 -2.879 -4.119 1.00 53.34 H new ATOM 1555 N GLU A 100 -8.538 -0.622 -0.327 1.00 25.21 N ATOM 1556 CA GLU A 100 -8.171 0.298 0.743 1.00 64.31 C ATOM 1557 C GLU A 100 -8.965 0.002 2.011 1.00 41.43 C ATOM 1558 O GLU A 100 -8.583 0.413 3.106 1.00 44.30 O ATOM 1559 CB GLU A 100 -8.407 1.745 0.305 1.00 23.15 C ATOM 1560 CG GLU A 100 -9.859 2.180 0.402 1.00 12.21 C ATOM 1561 CD GLU A 100 -10.086 3.578 -0.140 1.00 22.24 C ATOM 1562 OE1 GLU A 100 -9.149 4.138 -0.746 1.00 42.15 O ATOM 1563 OE2 GLU A 100 -11.200 4.112 0.041 1.00 4.21 O ATOM 0 H GLU A 100 -8.921 -0.171 -1.158 1.00 25.21 H new ATOM 0 HA GLU A 100 -7.111 0.160 0.959 1.00 64.31 H new ATOM 0 HB2 GLU A 100 -7.796 2.406 0.920 1.00 23.15 H new ATOM 0 HB3 GLU A 100 -8.069 1.864 -0.724 1.00 23.15 H new ATOM 0 HG2 GLU A 100 -10.483 1.475 -0.148 1.00 12.21 H new ATOM 0 HG3 GLU A 100 -10.177 2.142 1.444 1.00 12.21 H new