USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 419 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 38 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 46 MET CE :methyl -148:sc= -0.226 (180deg=-1.36!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0658 (180deg=-0.469) USER MOD Single : A 79 THR OG1 : rot -43:sc= 0.117 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -104:sc= 0.647 (180deg=0.0201) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00694) USER MOD Single : A 95 MET CE :methyl -170:sc=-0.00273 (180deg=-0.0864) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot 80:sc= 0.217 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -81:sc= 0.847 USER MOD Single : A 116 THR OG1 : rot -27:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 504 N GLN A 38 32.118 38.108 -21.583 1.00 0.00 N ATOM 505 CA GLN A 38 32.027 37.869 -23.020 1.00 0.00 C ATOM 506 C GLN A 38 31.695 36.408 -23.309 1.00 0.00 C ATOM 507 O GLN A 38 30.721 36.108 -24.001 1.00 0.00 O ATOM 508 CB GLN A 38 33.354 38.232 -23.690 1.00 0.00 C ATOM 509 CG GLN A 38 33.228 38.055 -25.206 1.00 0.00 C ATOM 510 CD GLN A 38 34.506 38.521 -25.894 1.00 0.00 C ATOM 511 OE1 GLN A 38 35.606 38.207 -25.437 1.00 0.00 O ATOM 512 NE2 GLN A 38 34.426 39.251 -26.971 1.00 0.00 N ATOM 0 HA GLN A 38 31.228 38.493 -23.421 1.00 0.00 H new ATOM 0 HB2 GLN A 38 33.622 39.262 -23.455 1.00 0.00 H new ATOM 0 HB3 GLN A 38 34.153 37.599 -23.305 1.00 0.00 H new ATOM 0 HG2 GLN A 38 33.038 37.008 -25.444 1.00 0.00 H new ATOM 0 HG3 GLN A 38 32.377 38.625 -25.577 1.00 0.00 H new ATOM 0 HE21 GLN A 38 33.513 39.509 -27.346 1.00 0.00 H new ATOM 0 HE22 GLN A 38 35.276 39.565 -27.439 1.00 0.00 H new ATOM 521 N VAL A 39 32.511 35.504 -22.777 1.00 0.00 N ATOM 522 CA VAL A 39 32.298 34.077 -22.988 1.00 0.00 C ATOM 523 C VAL A 39 31.031 33.614 -22.278 1.00 0.00 C ATOM 524 O VAL A 39 30.421 32.618 -22.666 1.00 0.00 O ATOM 525 CB VAL A 39 33.499 33.285 -22.468 1.00 0.00 C ATOM 526 CG1 VAL A 39 34.750 33.677 -23.259 1.00 0.00 C ATOM 527 CG2 VAL A 39 33.715 33.602 -20.989 1.00 0.00 C ATOM 0 H VAL A 39 33.321 35.732 -22.200 1.00 0.00 H new ATOM 0 HA VAL A 39 32.185 33.900 -24.058 1.00 0.00 H new ATOM 0 HB VAL A 39 33.311 32.218 -22.589 1.00 0.00 H new ATOM 0 HG11 VAL A 39 35.606 33.113 -22.889 1.00 0.00 H new ATOM 0 HG12 VAL A 39 34.598 33.454 -24.315 1.00 0.00 H new ATOM 0 HG13 VAL A 39 34.938 34.744 -23.137 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.571 33.038 -20.617 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.904 34.669 -20.869 1.00 0.00 H new ATOM 0 HG23 VAL A 39 32.825 33.325 -20.424 1.00 0.00 H new ATOM 537 N ASP A 40 30.644 34.341 -21.236 1.00 0.00 N ATOM 538 CA ASP A 40 29.449 33.992 -20.478 1.00 0.00 C ATOM 539 C ASP A 40 28.212 34.054 -21.368 1.00 0.00 C ATOM 540 O ASP A 40 27.346 33.183 -21.304 1.00 0.00 O ATOM 541 CB ASP A 40 29.278 34.955 -19.303 1.00 0.00 C ATOM 542 CG ASP A 40 30.342 34.684 -18.244 1.00 0.00 C ATOM 543 OD1 ASP A 40 30.990 33.653 -18.337 1.00 0.00 O ATOM 544 OD2 ASP A 40 30.492 35.506 -17.358 1.00 0.00 O ATOM 0 H ASP A 40 31.136 35.169 -20.899 1.00 0.00 H new ATOM 0 HA ASP A 40 29.564 32.975 -20.104 1.00 0.00 H new ATOM 0 HB2 ASP A 40 29.355 35.985 -19.652 1.00 0.00 H new ATOM 0 HB3 ASP A 40 28.285 34.839 -18.870 1.00 0.00 H new ATOM 549 N GLU A 41 28.136 35.090 -22.196 1.00 0.00 N ATOM 550 CA GLU A 41 27.000 35.255 -23.095 1.00 0.00 C ATOM 551 C GLU A 41 27.004 34.166 -24.164 1.00 0.00 C ATOM 552 O GLU A 41 25.950 33.746 -24.642 1.00 0.00 O ATOM 553 CB GLU A 41 27.052 36.631 -23.760 1.00 0.00 C ATOM 554 CG GLU A 41 25.741 36.891 -24.512 1.00 0.00 C ATOM 555 CD GLU A 41 24.606 37.106 -23.515 1.00 0.00 C ATOM 556 OE1 GLU A 41 24.891 37.192 -22.331 1.00 0.00 O ATOM 557 OE2 GLU A 41 23.469 37.181 -23.950 1.00 0.00 O ATOM 0 H GLU A 41 28.842 35.823 -22.263 1.00 0.00 H new ATOM 0 HA GLU A 41 26.083 35.173 -22.512 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.210 37.404 -23.008 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.894 36.681 -24.450 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.846 37.767 -25.152 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.511 36.047 -25.162 1.00 0.00 H new ATOM 564 N VAL A 42 28.197 33.720 -24.542 1.00 0.00 N ATOM 565 CA VAL A 42 28.326 32.682 -25.561 1.00 0.00 C ATOM 566 C VAL A 42 27.714 31.373 -25.073 1.00 0.00 C ATOM 567 O VAL A 42 27.294 30.537 -25.874 1.00 0.00 O ATOM 568 CB VAL A 42 29.801 32.466 -25.901 1.00 0.00 C ATOM 569 CG1 VAL A 42 29.934 31.311 -26.896 1.00 0.00 C ATOM 570 CG2 VAL A 42 30.372 33.742 -26.524 1.00 0.00 C ATOM 0 H VAL A 42 29.082 34.057 -24.163 1.00 0.00 H new ATOM 0 HA VAL A 42 27.792 33.006 -26.454 1.00 0.00 H new ATOM 0 HB VAL A 42 30.351 32.226 -24.991 1.00 0.00 H new ATOM 0 HG11 VAL A 42 30.986 31.158 -27.138 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.527 30.401 -26.454 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.384 31.550 -27.806 1.00 0.00 H new ATOM 0 HG21 VAL A 42 31.424 33.589 -26.767 1.00 0.00 H new ATOM 0 HG22 VAL A 42 29.821 33.981 -27.433 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.279 34.566 -25.816 1.00 0.00 H new ATOM 580 N VAL A 43 27.667 31.201 -23.757 1.00 0.00 N ATOM 581 CA VAL A 43 27.107 29.986 -23.176 1.00 0.00 C ATOM 582 C VAL A 43 25.632 29.855 -23.540 1.00 0.00 C ATOM 583 O VAL A 43 25.171 28.780 -23.922 1.00 0.00 O ATOM 584 CB VAL A 43 27.260 30.016 -21.653 1.00 0.00 C ATOM 585 CG1 VAL A 43 26.594 28.781 -21.047 1.00 0.00 C ATOM 586 CG2 VAL A 43 28.748 30.024 -21.291 1.00 0.00 C ATOM 0 H VAL A 43 28.007 31.881 -23.077 1.00 0.00 H new ATOM 0 HA VAL A 43 27.648 29.128 -23.576 1.00 0.00 H new ATOM 0 HB VAL A 43 26.784 30.914 -21.258 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.704 28.804 -19.963 1.00 0.00 H new ATOM 0 HG12 VAL A 43 25.535 28.775 -21.305 1.00 0.00 H new ATOM 0 HG13 VAL A 43 27.068 27.882 -21.441 1.00 0.00 H new ATOM 0 HG21 VAL A 43 28.859 30.045 -20.207 1.00 0.00 H new ATOM 0 HG22 VAL A 43 29.224 29.127 -21.687 1.00 0.00 H new ATOM 0 HG23 VAL A 43 29.222 30.906 -21.722 1.00 0.00 H new ATOM 596 N ASP A 44 24.896 30.956 -23.420 1.00 0.00 N ATOM 597 CA ASP A 44 23.473 30.950 -23.742 1.00 0.00 C ATOM 598 C ASP A 44 23.261 30.616 -25.215 1.00 0.00 C ATOM 599 O ASP A 44 22.375 29.835 -25.560 1.00 0.00 O ATOM 600 CB ASP A 44 22.864 32.318 -23.435 1.00 0.00 C ATOM 601 CG ASP A 44 22.762 32.520 -21.926 1.00 0.00 C ATOM 602 OD1 ASP A 44 22.982 31.561 -21.206 1.00 0.00 O ATOM 603 OD2 ASP A 44 22.466 33.629 -21.515 1.00 0.00 O ATOM 0 H ASP A 44 25.257 31.856 -23.105 1.00 0.00 H new ATOM 0 HA ASP A 44 22.983 30.190 -23.134 1.00 0.00 H new ATOM 0 HB2 ASP A 44 23.477 33.105 -23.874 1.00 0.00 H new ATOM 0 HB3 ASP A 44 21.875 32.394 -23.888 1.00 0.00 H new ATOM 608 N ILE A 45 24.077 31.212 -26.077 1.00 0.00 N ATOM 609 CA ILE A 45 23.965 30.969 -27.510 1.00 0.00 C ATOM 610 C ILE A 45 24.273 29.509 -27.831 1.00 0.00 C ATOM 611 O ILE A 45 23.578 28.879 -28.627 1.00 0.00 O ATOM 612 CB ILE A 45 24.935 31.879 -28.271 1.00 0.00 C ATOM 613 CG1 ILE A 45 24.485 33.333 -28.124 1.00 0.00 C ATOM 614 CG2 ILE A 45 24.943 31.499 -29.755 1.00 0.00 C ATOM 615 CD1 ILE A 45 25.587 34.263 -28.637 1.00 0.00 C ATOM 0 H ILE A 45 24.817 31.862 -25.812 1.00 0.00 H new ATOM 0 HA ILE A 45 22.943 31.189 -27.819 1.00 0.00 H new ATOM 0 HB ILE A 45 25.938 31.760 -27.862 1.00 0.00 H new ATOM 0 HG12 ILE A 45 23.565 33.498 -28.684 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.266 33.553 -27.079 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.634 32.148 -30.293 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.261 30.462 -29.863 1.00 0.00 H new ATOM 0 HG23 ILE A 45 23.940 31.616 -30.166 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.266 35.299 -28.532 1.00 0.00 H new ATOM 0 HD12 ILE A 45 26.496 34.104 -28.057 1.00 0.00 H new ATOM 0 HD13 ILE A 45 25.784 34.049 -29.687 1.00 0.00 H new ATOM 627 N MET A 46 25.324 28.985 -27.213 1.00 0.00 N ATOM 628 CA MET A 46 25.719 27.603 -27.452 1.00 0.00 C ATOM 629 C MET A 46 24.608 26.650 -27.026 1.00 0.00 C ATOM 630 O MET A 46 24.329 25.664 -27.709 1.00 0.00 O ATOM 631 CB MET A 46 26.999 27.284 -26.674 1.00 0.00 C ATOM 632 CG MET A 46 27.487 25.871 -27.025 1.00 0.00 C ATOM 633 SD MET A 46 26.547 24.644 -26.080 1.00 0.00 S ATOM 634 CE MET A 46 27.201 25.039 -24.436 1.00 0.00 C ATOM 0 H MET A 46 25.912 29.489 -26.550 1.00 0.00 H new ATOM 0 HA MET A 46 25.903 27.474 -28.519 1.00 0.00 H new ATOM 0 HB2 MET A 46 27.772 28.015 -26.913 1.00 0.00 H new ATOM 0 HB3 MET A 46 26.811 27.358 -25.603 1.00 0.00 H new ATOM 0 HG2 MET A 46 27.368 25.690 -28.093 1.00 0.00 H new ATOM 0 HG3 MET A 46 28.550 25.778 -26.803 1.00 0.00 H new ATOM 0 HE1 MET A 46 27.232 24.134 -23.830 1.00 0.00 H new ATOM 0 HE2 MET A 46 28.208 25.446 -24.533 1.00 0.00 H new ATOM 0 HE3 MET A 46 26.557 25.776 -23.956 1.00 0.00 H new ATOM 644 N ARG A 47 23.979 26.947 -25.895 1.00 0.00 N ATOM 645 CA ARG A 47 22.901 26.106 -25.388 1.00 0.00 C ATOM 646 C ARG A 47 21.755 26.041 -26.392 1.00 0.00 C ATOM 647 O ARG A 47 21.190 24.975 -26.635 1.00 0.00 O ATOM 648 CB ARG A 47 22.390 26.659 -24.055 1.00 0.00 C ATOM 649 CG ARG A 47 21.324 25.720 -23.487 1.00 0.00 C ATOM 650 CD ARG A 47 20.883 26.221 -22.110 1.00 0.00 C ATOM 651 NE ARG A 47 20.210 27.508 -22.234 1.00 0.00 N ATOM 652 CZ ARG A 47 19.790 28.169 -21.159 1.00 0.00 C ATOM 653 NH1 ARG A 47 19.975 27.665 -19.970 1.00 0.00 N ATOM 654 NH2 ARG A 47 19.191 29.321 -21.294 1.00 0.00 N ATOM 0 H ARG A 47 24.195 27.758 -25.315 1.00 0.00 H new ATOM 0 HA ARG A 47 23.290 25.099 -25.236 1.00 0.00 H new ATOM 0 HB2 ARG A 47 23.215 26.758 -23.350 1.00 0.00 H new ATOM 0 HB3 ARG A 47 21.972 27.656 -24.199 1.00 0.00 H new ATOM 0 HG2 ARG A 47 20.468 25.675 -24.160 1.00 0.00 H new ATOM 0 HG3 ARG A 47 21.721 24.708 -23.407 1.00 0.00 H new ATOM 0 HD2 ARG A 47 20.213 25.495 -21.648 1.00 0.00 H new ATOM 0 HD3 ARG A 47 21.749 26.317 -21.455 1.00 0.00 H new ATOM 0 HE ARG A 47 20.059 27.908 -23.160 1.00 0.00 H new ATOM 0 HH11 ARG A 47 20.442 26.764 -19.865 1.00 0.00 H new ATOM 0 HH12 ARG A 47 19.653 28.172 -19.145 1.00 0.00 H new ATOM 0 HH21 ARG A 47 19.045 29.714 -22.224 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.869 29.828 -20.470 1.00 0.00 H new ATOM 668 N VAL A 48 21.415 27.187 -26.969 1.00 0.00 N ATOM 669 CA VAL A 48 20.337 27.250 -27.942 1.00 0.00 C ATOM 670 C VAL A 48 20.673 26.419 -29.174 1.00 0.00 C ATOM 671 O VAL A 48 19.830 25.683 -29.682 1.00 0.00 O ATOM 672 CB VAL A 48 20.088 28.705 -28.356 1.00 0.00 C ATOM 673 CG1 VAL A 48 19.035 28.753 -29.468 1.00 0.00 C ATOM 674 CG2 VAL A 48 19.588 29.503 -27.150 1.00 0.00 C ATOM 0 H VAL A 48 21.869 28.080 -26.780 1.00 0.00 H new ATOM 0 HA VAL A 48 19.436 26.844 -27.481 1.00 0.00 H new ATOM 0 HB VAL A 48 21.020 29.138 -28.720 1.00 0.00 H new ATOM 0 HG11 VAL A 48 18.861 29.789 -29.760 1.00 0.00 H new ATOM 0 HG12 VAL A 48 19.390 28.188 -30.330 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.104 28.316 -29.107 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.411 30.537 -27.446 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.658 29.066 -26.785 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.337 29.475 -26.359 1.00 0.00 H new ATOM 684 N ASN A 49 21.908 26.539 -29.645 1.00 0.00 N ATOM 685 CA ASN A 49 22.339 25.797 -30.822 1.00 0.00 C ATOM 686 C ASN A 49 22.145 24.302 -30.606 1.00 0.00 C ATOM 687 O ASN A 49 21.782 23.573 -31.531 1.00 0.00 O ATOM 688 CB ASN A 49 23.811 26.091 -31.113 1.00 0.00 C ATOM 689 CG ASN A 49 24.262 25.320 -32.350 1.00 0.00 C ATOM 690 OD1 ASN A 49 23.478 25.119 -33.277 1.00 0.00 O ATOM 691 ND2 ASN A 49 25.487 24.876 -32.420 1.00 0.00 N ATOM 0 H ASN A 49 22.624 27.138 -29.234 1.00 0.00 H new ATOM 0 HA ASN A 49 21.735 26.111 -31.673 1.00 0.00 H new ATOM 0 HB2 ASN A 49 23.953 27.160 -31.269 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.423 25.810 -30.256 1.00 0.00 H new ATOM 0 HD21 ASN A 49 25.797 24.361 -33.244 1.00 0.00 H new ATOM 0 HD22 ASN A 49 26.135 25.044 -31.650 1.00 0.00 H new ATOM 698 N VAL A 50 22.398 23.848 -29.384 1.00 0.00 N ATOM 699 CA VAL A 50 22.248 22.434 -29.060 1.00 0.00 C ATOM 700 C VAL A 50 20.803 21.988 -29.219 1.00 0.00 C ATOM 701 O VAL A 50 20.525 20.931 -29.779 1.00 0.00 O ATOM 702 CB VAL A 50 22.716 22.171 -27.628 1.00 0.00 C ATOM 703 CG1 VAL A 50 22.409 20.721 -27.241 1.00 0.00 C ATOM 704 CG2 VAL A 50 24.223 22.414 -27.530 1.00 0.00 C ATOM 0 H VAL A 50 22.705 24.433 -28.607 1.00 0.00 H new ATOM 0 HA VAL A 50 22.864 21.861 -29.753 1.00 0.00 H new ATOM 0 HB VAL A 50 22.192 22.845 -26.950 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.744 20.538 -26.220 1.00 0.00 H new ATOM 0 HG12 VAL A 50 21.335 20.546 -27.307 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.929 20.045 -27.920 1.00 0.00 H new ATOM 0 HG21 VAL A 50 24.556 22.226 -26.509 1.00 0.00 H new ATOM 0 HG22 VAL A 50 24.745 21.742 -28.211 1.00 0.00 H new ATOM 0 HG23 VAL A 50 24.443 23.447 -27.800 1.00 0.00 H new ATOM 714 N ASP A 51 19.891 22.800 -28.717 1.00 0.00 N ATOM 715 CA ASP A 51 18.463 22.486 -28.803 1.00 0.00 C ATOM 716 C ASP A 51 17.871 22.997 -30.114 1.00 0.00 C ATOM 717 O ASP A 51 16.725 22.696 -30.447 1.00 0.00 O ATOM 718 CB ASP A 51 17.716 23.112 -27.624 1.00 0.00 C ATOM 719 CG ASP A 51 18.084 24.582 -27.491 1.00 0.00 C ATOM 720 OD1 ASP A 51 17.863 25.315 -28.442 1.00 0.00 O ATOM 721 OD2 ASP A 51 18.577 24.954 -26.440 1.00 0.00 O ATOM 0 H ASP A 51 20.104 23.679 -28.246 1.00 0.00 H new ATOM 0 HA ASP A 51 18.351 21.402 -28.770 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.641 23.010 -27.770 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.964 22.583 -26.704 1.00 0.00 H new ATOM 726 N LYS A 52 18.658 23.773 -30.855 1.00 0.00 N ATOM 727 CA LYS A 52 18.202 24.321 -32.122 1.00 0.00 C ATOM 728 C LYS A 52 17.964 23.210 -33.131 1.00 0.00 C ATOM 729 O LYS A 52 16.938 23.184 -33.812 1.00 0.00 O ATOM 730 CB LYS A 52 19.241 25.306 -32.668 1.00 0.00 C ATOM 731 CG LYS A 52 18.711 25.954 -33.946 1.00 0.00 C ATOM 732 CD LYS A 52 19.722 26.986 -34.450 1.00 0.00 C ATOM 733 CE LYS A 52 19.185 27.645 -35.721 1.00 0.00 C ATOM 734 NZ LYS A 52 17.969 28.441 -35.393 1.00 0.00 N ATOM 0 H LYS A 52 19.610 24.034 -30.598 1.00 0.00 H new ATOM 0 HA LYS A 52 17.261 24.845 -31.954 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.458 26.072 -31.923 1.00 0.00 H new ATOM 0 HB3 LYS A 52 20.177 24.786 -32.873 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.540 25.194 -34.708 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.751 26.433 -33.753 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.901 27.740 -33.684 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.679 26.505 -34.653 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.947 28.289 -36.159 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.945 26.885 -36.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.800 29.142 -36.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.148 27.807 -35.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.109 28.930 -34.486 1.00 0.00 H new ATOM 1143 N THR A 79 2.150 7.780 -20.045 1.00 0.00 N ATOM 1144 CA THR A 79 3.470 7.196 -20.238 1.00 0.00 C ATOM 1145 C THR A 79 4.549 8.271 -20.170 1.00 0.00 C ATOM 1146 O THR A 79 5.657 8.023 -19.693 1.00 0.00 O ATOM 1147 CB THR A 79 3.537 6.491 -21.595 1.00 0.00 C ATOM 1148 OG1 THR A 79 3.215 7.415 -22.624 1.00 0.00 O ATOM 1149 CG2 THR A 79 2.540 5.330 -21.619 1.00 0.00 C ATOM 0 HA THR A 79 3.644 6.472 -19.442 1.00 0.00 H new ATOM 0 HB THR A 79 4.544 6.106 -21.755 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.447 7.957 -22.348 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.588 4.829 -22.586 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.788 4.621 -20.830 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.532 5.713 -21.459 1.00 0.00 H new ATOM 1157 N SER A 80 4.219 9.466 -20.649 1.00 0.00 N ATOM 1158 CA SER A 80 5.168 10.571 -20.639 1.00 0.00 C ATOM 1159 C SER A 80 5.579 10.914 -19.211 1.00 0.00 C ATOM 1160 O SER A 80 6.756 11.135 -18.928 1.00 0.00 O ATOM 1161 CB SER A 80 4.545 11.802 -21.299 1.00 0.00 C ATOM 1162 OG SER A 80 5.330 12.947 -20.989 1.00 0.00 O ATOM 0 H SER A 80 3.307 9.692 -21.046 1.00 0.00 H new ATOM 0 HA SER A 80 6.053 10.267 -21.197 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.493 11.663 -22.379 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.523 11.941 -20.946 1.00 0.00 H new ATOM 0 HG SER A 80 4.935 13.738 -21.411 1.00 0.00 H new ATOM 1168 N ALA A 81 4.600 10.957 -18.312 1.00 0.00 N ATOM 1169 CA ALA A 81 4.870 11.274 -16.915 1.00 0.00 C ATOM 1170 C ALA A 81 5.808 10.242 -16.300 1.00 0.00 C ATOM 1171 O ALA A 81 6.554 10.543 -15.368 1.00 0.00 O ATOM 1172 CB ALA A 81 3.560 11.311 -16.124 1.00 0.00 C ATOM 0 H ALA A 81 3.619 10.777 -18.525 1.00 0.00 H new ATOM 0 HA ALA A 81 5.348 12.252 -16.872 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.771 11.549 -15.081 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.903 12.073 -16.544 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.072 10.338 -16.183 1.00 0.00 H new ATOM 1178 N ALA A 82 5.765 9.022 -16.825 1.00 0.00 N ATOM 1179 CA ALA A 82 6.617 7.952 -16.316 1.00 0.00 C ATOM 1180 C ALA A 82 8.087 8.307 -16.495 1.00 0.00 C ATOM 1181 O ALA A 82 8.917 8.010 -15.635 1.00 0.00 O ATOM 1182 CB ALA A 82 6.309 6.646 -17.051 1.00 0.00 C ATOM 0 H ALA A 82 5.155 8.750 -17.596 1.00 0.00 H new ATOM 0 HA ALA A 82 6.415 7.825 -15.252 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.949 5.852 -16.666 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.264 6.378 -16.895 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.494 6.776 -18.117 1.00 0.00 H new ATOM 1188 N LYS A 83 8.408 8.941 -17.618 1.00 0.00 N ATOM 1189 CA LYS A 83 9.784 9.324 -17.899 1.00 0.00 C ATOM 1190 C LYS A 83 10.279 10.332 -16.867 1.00 0.00 C ATOM 1191 O LYS A 83 11.405 10.230 -16.380 1.00 0.00 O ATOM 1192 CB LYS A 83 9.879 9.932 -19.309 1.00 0.00 C ATOM 1193 CG LYS A 83 9.926 8.820 -20.364 1.00 0.00 C ATOM 1194 CD LYS A 83 8.607 8.046 -20.359 1.00 0.00 C ATOM 1195 CE LYS A 83 8.570 7.094 -21.551 1.00 0.00 C ATOM 1196 NZ LYS A 83 7.284 6.343 -21.540 1.00 0.00 N ATOM 0 H LYS A 83 7.738 9.198 -18.343 1.00 0.00 H new ATOM 0 HA LYS A 83 10.411 8.434 -17.846 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.022 10.580 -19.492 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.771 10.554 -19.385 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.103 9.249 -21.350 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.756 8.144 -20.157 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.506 7.486 -19.430 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.767 8.739 -20.407 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.670 7.653 -22.481 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.410 6.401 -21.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.451 5.373 -21.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.610 6.818 -20.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.891 6.313 -22.503 1.00 0.00 H new ATOM 1210 N LEU A 84 9.436 11.304 -16.543 1.00 0.00 N ATOM 1211 CA LEU A 84 9.808 12.322 -15.571 1.00 0.00 C ATOM 1212 C LEU A 84 10.044 11.691 -14.202 1.00 0.00 C ATOM 1213 O LEU A 84 11.000 12.031 -13.510 1.00 0.00 O ATOM 1214 CB LEU A 84 8.693 13.376 -15.474 1.00 0.00 C ATOM 1215 CG LEU A 84 8.823 14.371 -16.627 1.00 0.00 C ATOM 1216 CD1 LEU A 84 8.722 13.628 -17.959 1.00 0.00 C ATOM 1217 CD2 LEU A 84 7.698 15.405 -16.532 1.00 0.00 C ATOM 0 H LEU A 84 8.500 11.408 -16.935 1.00 0.00 H new ATOM 0 HA LEU A 84 10.732 12.800 -15.898 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.717 12.891 -15.507 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.756 13.900 -14.520 1.00 0.00 H new ATOM 0 HG LEU A 84 9.788 14.874 -16.567 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.815 14.339 -18.780 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.522 12.890 -18.026 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.757 13.124 -18.022 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.787 16.117 -17.353 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.734 14.900 -16.593 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.771 15.935 -15.583 1.00 0.00 H new ATOM 1229 N LYS A 85 9.167 10.771 -13.822 1.00 0.00 N ATOM 1230 CA LYS A 85 9.290 10.098 -12.536 1.00 0.00 C ATOM 1231 C LYS A 85 10.557 9.253 -12.491 1.00 0.00 C ATOM 1232 O LYS A 85 11.202 9.135 -11.449 1.00 0.00 O ATOM 1233 CB LYS A 85 8.073 9.214 -12.284 1.00 0.00 C ATOM 1234 CG LYS A 85 6.841 10.094 -12.054 1.00 0.00 C ATOM 1235 CD LYS A 85 5.653 9.220 -11.639 1.00 0.00 C ATOM 1236 CE LYS A 85 5.170 8.384 -12.830 1.00 0.00 C ATOM 1237 NZ LYS A 85 3.818 7.840 -12.536 1.00 0.00 N ATOM 0 H LYS A 85 8.367 10.475 -14.382 1.00 0.00 H new ATOM 0 HA LYS A 85 9.347 10.859 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.907 8.554 -13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.246 8.578 -11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.049 10.833 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.600 10.644 -12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.944 8.564 -10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.841 9.848 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.139 8.998 -13.730 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.868 7.569 -13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.489 7.273 -13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.862 7.241 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.156 8.625 -12.372 1.00 0.00 H new ATOM 1251 N ARG A 86 10.900 8.657 -13.626 1.00 0.00 N ATOM 1252 CA ARG A 86 12.085 7.813 -13.708 1.00 0.00 C ATOM 1253 C ARG A 86 13.333 8.599 -13.326 1.00 0.00 C ATOM 1254 O ARG A 86 14.268 8.054 -12.742 1.00 0.00 O ATOM 1255 CB ARG A 86 12.239 7.260 -15.128 1.00 0.00 C ATOM 1256 CG ARG A 86 13.422 6.289 -15.178 1.00 0.00 C ATOM 1257 CD ARG A 86 13.566 5.732 -16.595 1.00 0.00 C ATOM 1258 NE ARG A 86 14.583 4.687 -16.624 1.00 0.00 N ATOM 1259 CZ ARG A 86 15.090 4.254 -17.773 1.00 0.00 C ATOM 1260 NH1 ARG A 86 14.677 4.763 -18.901 1.00 0.00 N ATOM 1261 NH2 ARG A 86 16.000 3.319 -17.774 1.00 0.00 N ATOM 0 H ARG A 86 10.378 8.742 -14.498 1.00 0.00 H new ATOM 0 HA ARG A 86 11.965 6.985 -13.009 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.325 6.750 -15.431 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.397 8.077 -15.832 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.338 6.800 -14.882 1.00 0.00 H new ATOM 0 HG3 ARG A 86 13.268 5.475 -14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.611 5.330 -16.934 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.837 6.533 -17.283 1.00 0.00 H new ATOM 0 HE ARG A 86 14.911 4.282 -15.747 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.965 5.493 -18.901 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.066 4.431 -19.783 1.00 0.00 H new ATOM 0 HH21 ARG A 86 16.322 2.920 -16.892 1.00 0.00 H new ATOM 0 HH22 ARG A 86 16.389 2.987 -18.656 1.00 0.00 H new ATOM 1402 N LEU A 93 20.372 1.160 -11.052 1.00 0.00 N ATOM 1403 CA LEU A 93 21.292 0.628 -10.054 1.00 0.00 C ATOM 1404 C LEU A 93 20.874 -0.773 -9.632 1.00 0.00 C ATOM 1405 O LEU A 93 21.712 -1.657 -9.466 1.00 0.00 O ATOM 1406 CB LEU A 93 21.316 1.546 -8.828 1.00 0.00 C ATOM 1407 CG LEU A 93 21.965 2.888 -9.201 1.00 0.00 C ATOM 1408 CD1 LEU A 93 21.749 3.890 -8.064 1.00 0.00 C ATOM 1409 CD2 LEU A 93 23.479 2.706 -9.453 1.00 0.00 C ATOM 0 HA LEU A 93 22.288 0.579 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 93 20.302 1.710 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 93 21.873 1.074 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 93 21.503 3.262 -10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 93 22.209 4.843 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 93 20.680 4.034 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 93 22.204 3.507 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 93 23.922 3.667 -9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 93 23.954 2.322 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 93 23.630 2.001 -10.271 1.00 0.00 H new ATOM 1421 N LYS A 94 19.574 -0.970 -9.464 1.00 0.00 N ATOM 1422 CA LYS A 94 19.055 -2.270 -9.062 1.00 0.00 C ATOM 1423 C LYS A 94 19.398 -3.328 -10.104 1.00 0.00 C ATOM 1424 O LYS A 94 19.721 -4.467 -9.765 1.00 0.00 O ATOM 1425 CB LYS A 94 17.538 -2.195 -8.888 1.00 0.00 C ATOM 1426 CG LYS A 94 17.205 -1.323 -7.676 1.00 0.00 C ATOM 1427 CD LYS A 94 15.687 -1.243 -7.504 1.00 0.00 C ATOM 1428 CE LYS A 94 15.354 -0.434 -6.249 1.00 0.00 C ATOM 1429 NZ LYS A 94 15.517 1.018 -6.537 1.00 0.00 N ATOM 0 H LYS A 94 18.863 -0.251 -9.599 1.00 0.00 H new ATOM 0 HA LYS A 94 19.516 -2.547 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.079 -1.780 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.127 -3.196 -8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.661 -1.740 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.619 -0.324 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.236 -0.777 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.267 -2.246 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.332 -0.640 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.009 -0.729 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.226 1.572 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.514 1.219 -6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.925 1.279 -7.351 1.00 0.00 H new ATOM 1443 N MET A 95 19.324 -2.947 -11.372 1.00 0.00 N ATOM 1444 CA MET A 95 19.628 -3.868 -12.461 1.00 0.00 C ATOM 1445 C MET A 95 21.088 -4.304 -12.398 1.00 0.00 C ATOM 1446 O MET A 95 21.422 -5.444 -12.721 1.00 0.00 O ATOM 1447 CB MET A 95 19.347 -3.199 -13.806 1.00 0.00 C ATOM 1448 CG MET A 95 17.845 -2.926 -13.940 1.00 0.00 C ATOM 1449 SD MET A 95 16.936 -4.491 -14.046 1.00 0.00 S ATOM 1450 CE MET A 95 17.200 -4.803 -15.810 1.00 0.00 C ATOM 0 H MET A 95 19.057 -2.010 -11.672 1.00 0.00 H new ATOM 0 HA MET A 95 18.993 -4.748 -12.358 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.905 -2.266 -13.883 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.684 -3.840 -14.620 1.00 0.00 H new ATOM 0 HG2 MET A 95 17.494 -2.350 -13.084 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.654 -2.325 -14.829 1.00 0.00 H new ATOM 0 HE1 MET A 95 16.572 -5.634 -16.130 1.00 0.00 H new ATOM 0 HE2 MET A 95 16.940 -3.911 -16.380 1.00 0.00 H new ATOM 0 HE3 MET A 95 18.247 -5.052 -15.983 1.00 0.00 H new ATOM 1460 N MET A 96 21.956 -3.388 -11.995 1.00 0.00 N ATOM 1461 CA MET A 96 23.378 -3.693 -11.893 1.00 0.00 C ATOM 1462 C MET A 96 23.660 -4.546 -10.661 1.00 0.00 C ATOM 1463 O MET A 96 24.472 -5.470 -10.707 1.00 0.00 O ATOM 1464 CB MET A 96 24.186 -2.398 -11.814 1.00 0.00 C ATOM 1465 CG MET A 96 25.676 -2.711 -11.967 1.00 0.00 C ATOM 1466 SD MET A 96 26.007 -3.218 -13.675 1.00 0.00 S ATOM 1467 CE MET A 96 26.789 -1.687 -14.235 1.00 0.00 C ATOM 0 H MET A 96 21.705 -2.434 -11.735 1.00 0.00 H new ATOM 0 HA MET A 96 23.672 -4.252 -12.781 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.867 -1.710 -12.597 1.00 0.00 H new ATOM 0 HB3 MET A 96 24.005 -1.902 -10.860 1.00 0.00 H new ATOM 0 HG2 MET A 96 26.272 -1.834 -11.714 1.00 0.00 H new ATOM 0 HG3 MET A 96 25.966 -3.504 -11.277 1.00 0.00 H new ATOM 0 HE1 MET A 96 27.076 -1.787 -15.282 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.087 -0.860 -14.128 1.00 0.00 H new ATOM 0 HE3 MET A 96 27.676 -1.490 -13.633 1.00 0.00 H new ATOM 1477 N ILE A 97 22.995 -4.224 -9.556 1.00 0.00 N ATOM 1478 CA ILE A 97 23.197 -4.965 -8.315 1.00 0.00 C ATOM 1479 C ILE A 97 22.758 -6.419 -8.472 1.00 0.00 C ATOM 1480 O ILE A 97 23.472 -7.341 -8.074 1.00 0.00 O ATOM 1481 CB ILE A 97 22.392 -4.309 -7.184 1.00 0.00 C ATOM 1482 CG1 ILE A 97 22.994 -2.939 -6.860 1.00 0.00 C ATOM 1483 CG2 ILE A 97 22.440 -5.194 -5.934 1.00 0.00 C ATOM 1484 CD1 ILE A 97 22.029 -2.158 -5.964 1.00 0.00 C ATOM 0 H ILE A 97 22.318 -3.463 -9.493 1.00 0.00 H new ATOM 0 HA ILE A 97 24.260 -4.946 -8.073 1.00 0.00 H new ATOM 0 HB ILE A 97 21.356 -4.189 -7.501 1.00 0.00 H new ATOM 0 HG12 ILE A 97 23.954 -3.061 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.182 -2.385 -7.780 1.00 0.00 H new ATOM 0 HG21 ILE A 97 21.868 -4.725 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.012 -6.170 -6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.475 -5.318 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.456 -1.182 -5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.079 -2.025 -6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 97 21.864 -2.710 -5.039 1.00 0.00 H new ATOM 1496 N ILE A 98 21.584 -6.616 -9.057 1.00 0.00 N ATOM 1497 CA ILE A 98 21.060 -7.959 -9.263 1.00 0.00 C ATOM 1498 C ILE A 98 21.870 -8.691 -10.325 1.00 0.00 C ATOM 1499 O ILE A 98 22.116 -9.892 -10.217 1.00 0.00 O ATOM 1500 CB ILE A 98 19.592 -7.895 -9.684 1.00 0.00 C ATOM 1501 CG1 ILE A 98 19.004 -9.306 -9.710 1.00 0.00 C ATOM 1502 CG2 ILE A 98 19.484 -7.272 -11.072 1.00 0.00 C ATOM 1503 CD1 ILE A 98 17.485 -9.223 -9.869 1.00 0.00 C ATOM 0 H ILE A 98 20.980 -5.867 -9.396 1.00 0.00 H new ATOM 0 HA ILE A 98 21.138 -8.506 -8.323 1.00 0.00 H new ATOM 0 HB ILE A 98 19.039 -7.285 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 98 19.436 -9.876 -10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.256 -9.833 -8.790 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.437 -7.227 -11.370 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.899 -6.264 -11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 98 20.039 -7.879 -11.787 1.00 0.00 H new ATOM 0 HD11 ILE A 98 17.066 -10.229 -9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.061 -8.669 -9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 98 17.244 -8.712 -10.801 1.00 0.00 H new ATOM 1515 N LEU A 99 22.277 -7.957 -11.353 1.00 0.00 N ATOM 1516 CA LEU A 99 23.051 -8.547 -12.432 1.00 0.00 C ATOM 1517 C LEU A 99 24.370 -9.097 -11.904 1.00 0.00 C ATOM 1518 O LEU A 99 24.806 -10.179 -12.300 1.00 0.00 O ATOM 1519 CB LEU A 99 23.327 -7.499 -13.521 1.00 0.00 C ATOM 1520 CG LEU A 99 24.225 -8.099 -14.616 1.00 0.00 C ATOM 1521 CD1 LEU A 99 23.566 -9.362 -15.197 1.00 0.00 C ATOM 1522 CD2 LEU A 99 24.426 -7.065 -15.727 1.00 0.00 C ATOM 0 H LEU A 99 22.085 -6.961 -11.460 1.00 0.00 H new ATOM 0 HA LEU A 99 22.473 -9.366 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 99 22.387 -7.159 -13.956 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.809 -6.626 -13.082 1.00 0.00 H new ATOM 0 HG LEU A 99 25.191 -8.367 -14.187 1.00 0.00 H new ATOM 0 HD11 LEU A 99 24.206 -9.783 -15.972 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.425 -10.097 -14.404 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.599 -9.103 -15.627 1.00 0.00 H new ATOM 0 HD21 LEU A 99 25.062 -7.486 -16.505 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.460 -6.797 -16.154 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.900 -6.174 -15.314 1.00 0.00 H new ATOM 1534 N GLY A 100 25.006 -8.343 -11.018 1.00 0.00 N ATOM 1535 CA GLY A 100 26.279 -8.762 -10.450 1.00 0.00 C ATOM 1536 C GLY A 100 26.124 -10.062 -9.672 1.00 0.00 C ATOM 1537 O GLY A 100 27.011 -10.914 -9.688 1.00 0.00 O ATOM 0 H GLY A 100 24.664 -7.444 -10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 100 27.011 -8.895 -11.246 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.662 -7.983 -9.791 1.00 0.00 H new ATOM 1541 N VAL A 101 24.991 -10.208 -8.992 1.00 0.00 N ATOM 1542 CA VAL A 101 24.735 -11.410 -8.211 1.00 0.00 C ATOM 1543 C VAL A 101 24.713 -12.642 -9.115 1.00 0.00 C ATOM 1544 O VAL A 101 25.325 -13.664 -8.801 1.00 0.00 O ATOM 1545 CB VAL A 101 23.393 -11.284 -7.483 1.00 0.00 C ATOM 1546 CG1 VAL A 101 23.050 -12.608 -6.794 1.00 0.00 C ATOM 1547 CG2 VAL A 101 23.485 -10.174 -6.434 1.00 0.00 C ATOM 0 H VAL A 101 24.243 -9.515 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 101 25.535 -11.524 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 101 22.614 -11.042 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.095 -12.513 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.982 -13.400 -7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.829 -12.855 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.531 -10.083 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.267 -10.417 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.723 -9.230 -6.923 1.00 0.00 H new ATOM 1557 N ILE A 102 24.001 -12.540 -10.232 1.00 0.00 N ATOM 1558 CA ILE A 102 23.904 -13.657 -11.167 1.00 0.00 C ATOM 1559 C ILE A 102 25.274 -14.012 -11.723 1.00 0.00 C ATOM 1560 O ILE A 102 25.670 -15.177 -11.746 1.00 0.00 O ATOM 1561 CB ILE A 102 22.964 -13.290 -12.311 1.00 0.00 C ATOM 1562 CG1 ILE A 102 21.596 -12.893 -11.743 1.00 0.00 C ATOM 1563 CG2 ILE A 102 22.799 -14.493 -13.241 1.00 0.00 C ATOM 1564 CD1 ILE A 102 20.787 -12.179 -12.823 1.00 0.00 C ATOM 0 H ILE A 102 23.487 -11.704 -10.511 1.00 0.00 H new ATOM 0 HA ILE A 102 23.510 -14.523 -10.634 1.00 0.00 H new ATOM 0 HB ILE A 102 23.382 -12.453 -12.869 1.00 0.00 H new ATOM 0 HG12 ILE A 102 21.062 -13.779 -11.399 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.724 -12.242 -10.878 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.127 -14.231 -14.059 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.771 -14.776 -13.646 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.381 -15.330 -12.682 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.814 -11.896 -12.421 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.320 -11.285 -13.146 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.648 -12.846 -13.674 1.00 0.00 H new ATOM 1576 N CYS A 103 25.990 -12.995 -12.167 1.00 0.00 N ATOM 1577 CA CYS A 103 27.328 -13.199 -12.725 1.00 0.00 C ATOM 1578 C CYS A 103 28.265 -13.790 -11.673 1.00 0.00 C ATOM 1579 O CYS A 103 29.126 -14.614 -11.986 1.00 0.00 O ATOM 1580 CB CYS A 103 27.906 -11.874 -13.227 1.00 0.00 C ATOM 1581 SG CYS A 103 26.890 -11.265 -14.590 1.00 0.00 S ATOM 0 H CYS A 103 25.677 -12.024 -12.156 1.00 0.00 H new ATOM 0 HA CYS A 103 27.241 -13.895 -13.560 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.928 -11.143 -12.419 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.935 -12.014 -13.558 1.00 0.00 H new ATOM 0 HG CYS A 103 25.825 -10.690 -14.114 1.00 0.00 H new ATOM 1587 N ALA A 104 28.091 -13.362 -10.427 1.00 0.00 N ATOM 1588 CA ALA A 104 28.927 -13.850 -9.339 1.00 0.00 C ATOM 1589 C ALA A 104 28.795 -15.362 -9.201 1.00 0.00 C ATOM 1590 O ALA A 104 29.771 -16.057 -8.920 1.00 0.00 O ATOM 1591 CB ALA A 104 28.519 -13.182 -8.024 1.00 0.00 C ATOM 0 H ALA A 104 27.383 -12.683 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 104 29.964 -13.603 -9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.150 -13.553 -7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.640 -12.102 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.476 -13.414 -7.806 1.00 0.00 H new ATOM 1597 N ILE A 105 27.585 -15.867 -9.404 1.00 0.00 N ATOM 1598 CA ILE A 105 27.339 -17.303 -9.296 1.00 0.00 C ATOM 1599 C ILE A 105 28.121 -18.060 -10.365 1.00 0.00 C ATOM 1600 O ILE A 105 28.714 -19.105 -10.091 1.00 0.00 O ATOM 1601 CB ILE A 105 25.842 -17.593 -9.447 1.00 0.00 C ATOM 1602 CG1 ILE A 105 25.093 -17.024 -8.239 1.00 0.00 C ATOM 1603 CG2 ILE A 105 25.615 -19.107 -9.519 1.00 0.00 C ATOM 1604 CD1 ILE A 105 23.587 -17.087 -8.495 1.00 0.00 C ATOM 0 H ILE A 105 26.764 -15.311 -9.642 1.00 0.00 H new ATOM 0 HA ILE A 105 27.672 -17.638 -8.314 1.00 0.00 H new ATOM 0 HB ILE A 105 25.473 -17.129 -10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.344 -17.591 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.399 -15.993 -8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.550 -19.310 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.151 -19.515 -10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.983 -19.574 -8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.054 -16.682 -7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.344 -16.501 -9.381 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.288 -18.123 -8.652 1.00 0.00 H new ATOM 1616 N ILE A 106 28.111 -17.534 -11.582 1.00 0.00 N ATOM 1617 CA ILE A 106 28.816 -18.173 -12.684 1.00 0.00 C ATOM 1618 C ILE A 106 30.316 -18.220 -12.401 1.00 0.00 C ATOM 1619 O ILE A 106 30.972 -19.230 -12.651 1.00 0.00 O ATOM 1620 CB ILE A 106 28.560 -17.404 -13.985 1.00 0.00 C ATOM 1621 CG1 ILE A 106 27.089 -17.547 -14.381 1.00 0.00 C ATOM 1622 CG2 ILE A 106 29.443 -17.974 -15.101 1.00 0.00 C ATOM 1623 CD1 ILE A 106 26.767 -16.569 -15.511 1.00 0.00 C ATOM 0 H ILE A 106 27.626 -16.672 -11.830 1.00 0.00 H new ATOM 0 HA ILE A 106 28.445 -19.193 -12.789 1.00 0.00 H new ATOM 0 HB ILE A 106 28.798 -16.351 -13.835 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.885 -18.569 -14.701 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.449 -17.349 -13.521 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.260 -17.426 -16.025 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.492 -17.874 -14.822 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.206 -19.027 -15.250 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.719 -16.671 -15.793 1.00 0.00 H new ATOM 0 HD12 ILE A 106 26.955 -15.549 -15.174 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.398 -16.788 -16.373 1.00 0.00 H new ATOM 1635 N LEU A 107 30.848 -17.121 -11.883 1.00 0.00 N ATOM 1636 CA LEU A 107 32.272 -17.046 -11.580 1.00 0.00 C ATOM 1637 C LEU A 107 32.652 -18.088 -10.537 1.00 0.00 C ATOM 1638 O LEU A 107 33.692 -18.738 -10.649 1.00 0.00 O ATOM 1639 CB LEU A 107 32.616 -15.649 -11.059 1.00 0.00 C ATOM 1640 CG LEU A 107 32.438 -14.622 -12.186 1.00 0.00 C ATOM 1641 CD1 LEU A 107 32.552 -13.206 -11.606 1.00 0.00 C ATOM 1642 CD2 LEU A 107 33.511 -14.826 -13.278 1.00 0.00 C ATOM 0 H LEU A 107 30.321 -16.275 -11.665 1.00 0.00 H new ATOM 0 HA LEU A 107 32.833 -17.244 -12.493 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.972 -15.395 -10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.643 -15.629 -10.693 1.00 0.00 H new ATOM 0 HG LEU A 107 31.455 -14.757 -12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 107 32.426 -12.475 -12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.778 -13.058 -10.853 1.00 0.00 H new ATOM 0 HD13 LEU A 107 33.533 -13.078 -11.148 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.370 -14.089 -14.069 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.502 -14.704 -12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.419 -15.829 -13.695 1.00 0.00 H new ATOM 1654 N ILE A 108 31.807 -18.247 -9.529 1.00 0.00 N ATOM 1655 CA ILE A 108 32.066 -19.218 -8.476 1.00 0.00 C ATOM 1656 C ILE A 108 32.079 -20.633 -9.049 1.00 0.00 C ATOM 1657 O ILE A 108 32.937 -21.445 -8.703 1.00 0.00 O ATOM 1658 CB ILE A 108 30.991 -19.110 -7.390 1.00 0.00 C ATOM 1659 CG1 ILE A 108 31.144 -17.779 -6.654 1.00 0.00 C ATOM 1660 CG2 ILE A 108 31.148 -20.262 -6.393 1.00 0.00 C ATOM 1661 CD1 ILE A 108 29.902 -17.526 -5.796 1.00 0.00 C ATOM 0 H ILE A 108 30.941 -17.720 -9.418 1.00 0.00 H new ATOM 0 HA ILE A 108 33.042 -19.006 -8.039 1.00 0.00 H new ATOM 0 HB ILE A 108 30.005 -19.162 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 108 32.035 -17.798 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 108 31.276 -16.968 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.382 -20.183 -5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.040 -21.213 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.134 -20.212 -5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 108 30.010 -16.577 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 108 29.020 -17.489 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 108 29.791 -18.332 -5.070 1.00 0.00 H new ATOM 1673 N ILE A 109 31.120 -20.922 -9.920 1.00 0.00 N ATOM 1674 CA ILE A 109 31.029 -22.245 -10.524 1.00 0.00 C ATOM 1675 C ILE A 109 32.270 -22.537 -11.362 1.00 0.00 C ATOM 1676 O ILE A 109 32.827 -23.634 -11.303 1.00 0.00 O ATOM 1677 CB ILE A 109 29.781 -22.329 -11.410 1.00 0.00 C ATOM 1678 CG1 ILE A 109 28.529 -22.265 -10.531 1.00 0.00 C ATOM 1679 CG2 ILE A 109 29.787 -23.648 -12.189 1.00 0.00 C ATOM 1680 CD1 ILE A 109 27.297 -22.052 -11.412 1.00 0.00 C ATOM 0 H ILE A 109 30.401 -20.265 -10.222 1.00 0.00 H new ATOM 0 HA ILE A 109 30.960 -22.985 -9.727 1.00 0.00 H new ATOM 0 HB ILE A 109 29.781 -21.495 -12.112 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.425 -23.187 -9.960 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.619 -21.452 -9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 109 28.898 -23.703 -12.817 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.678 -23.697 -12.815 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.789 -24.484 -11.489 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.406 -22.006 -10.786 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.401 -21.118 -11.964 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.205 -22.880 -12.115 1.00 0.00 H new ATOM 1692 N ILE A 110 32.700 -21.550 -12.138 1.00 0.00 N ATOM 1693 CA ILE A 110 33.875 -21.715 -12.981 1.00 0.00 C ATOM 1694 C ILE A 110 35.117 -21.943 -12.124 1.00 0.00 C ATOM 1695 O ILE A 110 35.943 -22.802 -12.427 1.00 0.00 O ATOM 1696 CB ILE A 110 34.070 -20.473 -13.856 1.00 0.00 C ATOM 1697 CG1 ILE A 110 32.923 -20.380 -14.866 1.00 0.00 C ATOM 1698 CG2 ILE A 110 35.399 -20.574 -14.608 1.00 0.00 C ATOM 1699 CD1 ILE A 110 32.951 -19.009 -15.543 1.00 0.00 C ATOM 0 H ILE A 110 32.256 -20.634 -12.201 1.00 0.00 H new ATOM 0 HA ILE A 110 33.725 -22.585 -13.620 1.00 0.00 H new ATOM 0 HB ILE A 110 34.079 -19.584 -13.225 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.017 -21.168 -15.613 1.00 0.00 H new ATOM 0 HG13 ILE A 110 31.968 -20.530 -14.363 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.534 -19.689 -15.229 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.218 -20.643 -13.892 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.393 -21.463 -15.239 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.135 -18.942 -16.262 1.00 0.00 H new ATOM 0 HD12 ILE A 110 32.836 -18.229 -14.790 1.00 0.00 H new ATOM 0 HD13 ILE A 110 33.902 -18.878 -16.060 1.00 0.00 H new ATOM 1711 N ILE A 111 35.242 -21.163 -11.059 1.00 0.00 N ATOM 1712 CA ILE A 111 36.392 -21.287 -10.174 1.00 0.00 C ATOM 1713 C ILE A 111 36.412 -22.655 -9.507 1.00 0.00 C ATOM 1714 O ILE A 111 37.459 -23.298 -9.420 1.00 0.00 O ATOM 1715 CB ILE A 111 36.346 -20.185 -9.101 1.00 0.00 C ATOM 1716 CG1 ILE A 111 36.570 -18.804 -9.760 1.00 0.00 C ATOM 1717 CG2 ILE A 111 37.432 -20.443 -8.042 1.00 0.00 C ATOM 1718 CD1 ILE A 111 38.073 -18.513 -9.908 1.00 0.00 C ATOM 0 H ILE A 111 34.570 -20.445 -10.789 1.00 0.00 H new ATOM 0 HA ILE A 111 37.299 -21.177 -10.768 1.00 0.00 H new ATOM 0 HB ILE A 111 35.369 -20.195 -8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.091 -18.780 -10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.101 -18.027 -9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.395 -19.660 -7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.259 -21.411 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.412 -20.441 -8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 111 38.211 -17.537 -10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.543 -18.515 -8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.533 -19.280 -10.531 1.00 0.00 H new ATOM 1730 N VAL A 112 35.256 -23.094 -9.035 1.00 0.00 N ATOM 1731 CA VAL A 112 35.150 -24.383 -8.378 1.00 0.00 C ATOM 1732 C VAL A 112 35.394 -25.505 -9.379 1.00 0.00 C ATOM 1733 O VAL A 112 36.096 -26.473 -9.085 1.00 0.00 O ATOM 1734 CB VAL A 112 33.765 -24.536 -7.744 1.00 0.00 C ATOM 1735 CG1 VAL A 112 33.606 -25.957 -7.198 1.00 0.00 C ATOM 1736 CG2 VAL A 112 33.617 -23.529 -6.597 1.00 0.00 C ATOM 0 H VAL A 112 34.380 -22.576 -9.095 1.00 0.00 H new ATOM 0 HA VAL A 112 35.906 -24.442 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 112 32.998 -24.349 -8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.620 -26.065 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.713 -26.674 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.372 -26.146 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.631 -23.636 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.384 -23.718 -5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.730 -22.517 -6.985 1.00 0.00 H new ATOM 1746 N TYR A 113 34.797 -25.372 -10.559 1.00 0.00 N ATOM 1747 CA TYR A 113 34.944 -26.384 -11.591 1.00 0.00 C ATOM 1748 C TYR A 113 36.405 -26.535 -11.997 1.00 0.00 C ATOM 1749 O TYR A 113 36.913 -27.648 -12.136 1.00 0.00 O ATOM 1750 CB TYR A 113 34.101 -26.015 -12.816 1.00 0.00 C ATOM 1751 CG TYR A 113 34.334 -27.028 -13.914 1.00 0.00 C ATOM 1752 CD1 TYR A 113 33.715 -28.284 -13.852 1.00 0.00 C ATOM 1753 CD2 TYR A 113 35.169 -26.712 -14.994 1.00 0.00 C ATOM 1754 CE1 TYR A 113 33.929 -29.221 -14.870 1.00 0.00 C ATOM 1755 CE2 TYR A 113 35.384 -27.652 -16.011 1.00 0.00 C ATOM 1756 CZ TYR A 113 34.765 -28.905 -15.947 1.00 0.00 C ATOM 1757 OH TYR A 113 34.978 -29.830 -16.951 1.00 0.00 O ATOM 0 H TYR A 113 34.212 -24.579 -10.820 1.00 0.00 H new ATOM 0 HA TYR A 113 34.595 -27.335 -11.188 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.045 -25.989 -12.549 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.366 -25.017 -13.165 1.00 0.00 H new ATOM 0 HD1 TYR A 113 33.073 -28.529 -13.019 1.00 0.00 H new ATOM 0 HD2 TYR A 113 35.647 -25.745 -15.043 1.00 0.00 H new ATOM 0 HE1 TYR A 113 33.449 -30.187 -14.824 1.00 0.00 H new ATOM 0 HE2 TYR A 113 36.027 -27.409 -16.844 1.00 0.00 H new ATOM 0 HH TYR A 113 35.582 -29.451 -17.623 1.00 0.00 H new ATOM 1767 N PHE A 114 37.068 -25.410 -12.185 1.00 0.00 N ATOM 1768 CA PHE A 114 38.473 -25.413 -12.579 1.00 0.00 C ATOM 1769 C PHE A 114 39.325 -26.113 -11.532 1.00 0.00 C ATOM 1770 O PHE A 114 40.192 -26.922 -11.858 1.00 0.00 O ATOM 1771 CB PHE A 114 38.971 -23.978 -12.776 1.00 0.00 C ATOM 1772 CG PHE A 114 40.414 -24.004 -13.223 1.00 0.00 C ATOM 1773 CD1 PHE A 114 40.731 -24.313 -14.552 1.00 0.00 C ATOM 1774 CD2 PHE A 114 41.438 -23.720 -12.309 1.00 0.00 C ATOM 1775 CE1 PHE A 114 42.068 -24.337 -14.967 1.00 0.00 C ATOM 1776 CE2 PHE A 114 42.775 -23.743 -12.724 1.00 0.00 C ATOM 1777 CZ PHE A 114 43.090 -24.052 -14.053 1.00 0.00 C ATOM 0 H PHE A 114 36.662 -24.481 -12.073 1.00 0.00 H new ATOM 0 HA PHE A 114 38.561 -25.956 -13.520 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.358 -23.467 -13.519 1.00 0.00 H new ATOM 0 HB3 PHE A 114 38.877 -23.418 -11.846 1.00 0.00 H new ATOM 0 HD1 PHE A 114 39.943 -24.533 -15.257 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.195 -23.483 -11.284 1.00 0.00 H new ATOM 0 HE1 PHE A 114 42.311 -24.575 -15.992 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.563 -23.522 -12.019 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.121 -24.071 -14.373 1.00 0.00 H new ATOM 1787 N SER A 115 39.073 -25.792 -10.272 1.00 0.00 N ATOM 1788 CA SER A 115 39.821 -26.386 -9.170 1.00 0.00 C ATOM 1789 C SER A 115 39.212 -27.719 -8.760 1.00 0.00 C ATOM 1790 O SER A 115 39.831 -28.492 -8.031 1.00 0.00 O ATOM 1791 CB SER A 115 39.830 -25.439 -7.967 1.00 0.00 C ATOM 1792 OG SER A 115 38.494 -25.199 -7.546 1.00 0.00 O ATOM 0 H SER A 115 38.357 -25.124 -9.985 1.00 0.00 H new ATOM 0 HA SER A 115 40.844 -26.555 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 115 40.407 -25.875 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 115 40.314 -24.499 -8.233 1.00 0.00 H new ATOM 0 HG SER A 115 38.089 -24.514 -8.118 1.00 0.00 H new ATOM 1798 N THR A 116 37.999 -27.981 -9.238 1.00 0.00 N ATOM 1799 CA THR A 116 37.305 -29.221 -8.919 1.00 0.00 C ATOM 1800 C THR A 116 37.539 -29.615 -7.461 1.00 0.00 C ATOM 1801 O THR A 116 38.435 -30.407 -7.218 1.00 0.00 O ATOM 1802 CB THR A 116 37.799 -30.332 -9.841 1.00 0.00 C ATOM 1803 OG1 THR A 116 37.829 -29.860 -11.181 1.00 0.00 O ATOM 1804 CG2 THR A 116 36.857 -31.528 -9.743 1.00 0.00 C ATOM 1805 OXT THR A 116 36.822 -29.115 -6.610 1.00 0.00 O ATOM 0 H THR A 116 37.478 -27.350 -9.847 1.00 0.00 H new ATOM 0 HA THR A 116 36.235 -29.070 -9.066 1.00 0.00 H new ATOM 0 HB THR A 116 38.803 -30.633 -9.542 1.00 0.00 H new ATOM 0 HG1 THR A 116 37.168 -29.145 -11.291 1.00 0.00 H new ATOM 0 HG21 THR A 116 37.208 -32.323 -10.401 1.00 0.00 H new ATOM 0 HG22 THR A 116 36.835 -31.891 -8.715 1.00 0.00 H new ATOM 0 HG23 THR A 116 35.853 -31.226 -10.042 1.00 0.00 H new