USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 HIS : no HD1:sc= -5.47! C(o=-7.3!,f=-12!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 159:sc= -1.78 (180deg=-2.32!) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.174 F(o=-2.4!,f=-0.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.18 F(o=-2.7!,f=-0.18) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0388 (180deg=-0.185) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -170:sc= -1.4 USER MOD Single : A 55 SER OG : rot -92:sc= 0.326 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.61 F(o=-2.4!,f=-0.61) USER MOD Single : A 57 GLN : amide:sc= 0.366 X(o=0.37,f=-0.0065) USER MOD Single : A 60 ASN : amide:sc= -0.601 K(o=-0.6,f=-1.3) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 171:sc= 0 (180deg=-0.0758) USER MOD Single : A 77 SER OG : rot -88:sc= -0.25 USER MOD Single : A 80 CYS SG : rot -85:sc= -8.55! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.98! C(o=-2!,f=-6!) USER MOD Single : A 99 ASN : amide:sc= -0.766 K(o=-0.77,f=-5.6!) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc=-0.00907 (180deg=-0.0976) USER MOD Single : A 105 GLN : amide:sc= -2.82 K(o=-2.8,f=-8.9!) USER MOD Single : A 107 LYS NZ :NH3+ -146:sc= -1.51 (180deg=-5.53!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.15) USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 115 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.032) USER MOD Single : A 122 GLN :FLIP amide:sc= -1.99 F(o=-5.1!,f=-2) USER MOD Single : A 126 THR OG1 : rot -126:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -6.212 1.789 2.558 1.00 0.33 N ATOM 516 CA PRO A 36 -6.475 2.108 1.161 1.00 0.40 C ATOM 517 C PRO A 36 -6.033 0.984 0.239 1.00 0.35 C ATOM 518 O PRO A 36 -6.395 0.945 -0.938 1.00 0.48 O ATOM 519 CB PRO A 36 -5.631 3.353 0.933 1.00 0.47 C ATOM 520 CG PRO A 36 -4.461 3.177 1.835 1.00 0.27 C ATOM 521 CD PRO A 36 -4.962 2.417 3.037 1.00 0.30 C ATOM 0 HA PRO A 36 -7.535 2.253 0.952 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.321 3.437 -0.108 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.186 4.259 1.175 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.663 2.629 1.334 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -4.049 4.142 2.130 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.240 1.670 3.368 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.145 3.080 3.882 1.00 0.30 H new ATOM 529 N ALA A 37 -5.242 0.073 0.789 1.00 0.27 N ATOM 530 CA ALA A 37 -4.734 -1.062 0.038 1.00 0.31 C ATOM 531 C ALA A 37 -5.731 -2.217 0.035 1.00 0.29 C ATOM 532 O ALA A 37 -5.688 -3.080 -0.841 1.00 0.35 O ATOM 533 CB ALA A 37 -3.404 -1.509 0.622 1.00 0.37 C ATOM 0 H ALA A 37 -4.937 0.101 1.762 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.587 -0.752 -0.996 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -3.026 -2.361 0.056 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.688 -0.689 0.566 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.543 -1.798 1.664 1.00 0.37 H new ATOM 539 N GLU A 38 -6.629 -2.230 1.017 1.00 0.28 N ATOM 540 CA GLU A 38 -7.626 -3.291 1.120 1.00 0.30 C ATOM 541 C GLU A 38 -8.473 -3.363 -0.145 1.00 0.25 C ATOM 542 O GLU A 38 -8.943 -4.436 -0.520 1.00 0.25 O ATOM 543 CB GLU A 38 -8.516 -3.085 2.347 1.00 0.38 C ATOM 544 CG GLU A 38 -9.638 -2.079 2.135 1.00 0.39 C ATOM 545 CD GLU A 38 -10.528 -1.936 3.352 1.00 0.86 C ATOM 546 OE1 GLU A 38 -11.501 -2.711 3.470 1.00 1.46 O ATOM 547 OE2 GLU A 38 -10.252 -1.052 4.188 1.00 1.36 O ATOM 0 H GLU A 38 -6.687 -1.522 1.749 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.098 -4.238 1.234 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.950 -4.043 2.633 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.897 -2.753 3.181 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.209 -1.108 1.887 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.242 -2.388 1.282 1.00 0.39 H new ATOM 554 N ASN A 39 -8.679 -2.218 -0.790 1.00 0.28 N ATOM 555 CA ASN A 39 -9.453 -2.175 -2.024 1.00 0.30 C ATOM 556 C ASN A 39 -8.784 -3.072 -3.057 1.00 0.24 C ATOM 557 O ASN A 39 -9.400 -4.000 -3.590 1.00 0.22 O ATOM 558 CB ASN A 39 -9.551 -0.740 -2.548 1.00 0.37 C ATOM 559 CG ASN A 39 -10.725 -0.532 -3.490 1.00 1.22 C ATOM 560 OD1 ASN A 39 -11.092 -1.573 -4.228 1.00 2.04 O flip ATOM 561 ND2 ASN A 39 -11.294 0.557 -3.552 1.00 2.00 N flip ATOM 0 H ASN A 39 -8.323 -1.314 -0.480 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.465 -2.531 -1.830 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -9.644 -0.056 -1.704 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -8.627 -0.484 -3.066 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -10.979 1.331 -2.967 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -12.080 0.686 -4.189 1.00 2.00 H new ATOM 568 N PHE A 40 -7.513 -2.788 -3.326 1.00 0.23 N ATOM 569 CA PHE A 40 -6.744 -3.590 -4.261 1.00 0.21 C ATOM 570 C PHE A 40 -6.861 -5.052 -3.857 1.00 0.17 C ATOM 571 O PHE A 40 -7.091 -5.928 -4.690 1.00 0.19 O ATOM 572 CB PHE A 40 -5.273 -3.138 -4.264 1.00 0.23 C ATOM 573 CG PHE A 40 -4.280 -4.253 -4.059 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.889 -5.054 -5.118 1.00 1.48 C ATOM 575 CD2 PHE A 40 -3.747 -4.503 -2.805 1.00 1.59 C ATOM 576 CE1 PHE A 40 -2.985 -6.080 -4.933 1.00 2.20 C ATOM 577 CE2 PHE A 40 -2.844 -5.529 -2.614 1.00 2.32 C ATOM 578 CZ PHE A 40 -2.463 -6.318 -3.680 1.00 2.54 C ATOM 0 H PHE A 40 -6.999 -2.011 -2.910 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.133 -3.462 -5.271 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -5.058 -2.646 -5.213 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.132 -2.394 -3.480 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.297 -4.874 -6.102 1.00 1.48 H new ATOM 0 HD2 PHE A 40 -4.041 -3.888 -1.967 1.00 1.59 H new ATOM 0 HE1 PHE A 40 -2.687 -6.696 -5.769 1.00 2.20 H new ATOM 0 HE2 PHE A 40 -2.436 -5.714 -1.631 1.00 2.32 H new ATOM 0 HZ PHE A 40 -1.756 -7.121 -3.533 1.00 2.54 H new ATOM 588 N ARG A 41 -6.716 -5.294 -2.558 1.00 0.15 N ATOM 589 CA ARG A 41 -6.816 -6.634 -2.011 1.00 0.18 C ATOM 590 C ARG A 41 -8.178 -7.236 -2.328 1.00 0.21 C ATOM 591 O ARG A 41 -8.301 -8.439 -2.561 1.00 0.25 O ATOM 592 CB ARG A 41 -6.609 -6.611 -0.505 1.00 0.24 C ATOM 593 CG ARG A 41 -5.170 -6.387 -0.079 1.00 0.32 C ATOM 594 CD ARG A 41 -5.090 -6.099 1.408 1.00 0.33 C ATOM 595 NE ARG A 41 -3.735 -6.249 1.931 1.00 1.36 N ATOM 596 CZ ARG A 41 -3.445 -6.260 3.231 1.00 1.65 C ATOM 597 NH1 ARG A 41 -4.411 -6.132 4.130 1.00 1.07 N ATOM 598 NH2 ARG A 41 -2.191 -6.406 3.632 1.00 2.77 N ATOM 0 H ARG A 41 -6.528 -4.571 -1.864 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.039 -7.247 -2.468 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.230 -5.824 -0.076 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -6.957 -7.556 -0.087 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.574 -7.268 -0.316 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.745 -5.554 -0.639 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.440 -5.084 1.598 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -5.760 -6.773 1.943 1.00 0.33 H new ATOM 0 HE ARG A 41 -2.969 -6.351 1.265 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -5.379 -6.025 3.827 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -4.186 -6.141 5.125 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -1.445 -6.510 2.945 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -1.972 -6.414 4.628 1.00 2.77 H new ATOM 612 N VAL A 42 -9.202 -6.394 -2.326 1.00 0.21 N ATOM 613 CA VAL A 42 -10.550 -6.844 -2.619 1.00 0.24 C ATOM 614 C VAL A 42 -10.637 -7.362 -4.045 1.00 0.20 C ATOM 615 O VAL A 42 -11.131 -8.459 -4.279 1.00 0.26 O ATOM 616 CB VAL A 42 -11.594 -5.725 -2.401 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.872 -6.010 -3.177 1.00 0.35 C ATOM 618 CG2 VAL A 42 -11.901 -5.572 -0.920 1.00 0.35 C ATOM 0 H VAL A 42 -9.122 -5.397 -2.125 1.00 0.21 H new ATOM 0 HA VAL A 42 -10.779 -7.652 -1.925 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.172 -4.791 -2.773 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.589 -5.207 -3.005 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.645 -6.073 -4.241 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.299 -6.955 -2.841 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.638 -4.781 -0.781 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.298 -6.510 -0.532 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -10.987 -5.316 -0.384 1.00 0.35 H new ATOM 628 N LEU A 43 -10.140 -6.583 -4.997 1.00 0.15 N ATOM 629 CA LEU A 43 -10.188 -6.999 -6.392 1.00 0.15 C ATOM 630 C LEU A 43 -9.370 -8.262 -6.629 1.00 0.12 C ATOM 631 O LEU A 43 -9.777 -9.134 -7.398 1.00 0.14 O ATOM 632 CB LEU A 43 -9.711 -5.885 -7.319 1.00 0.16 C ATOM 633 CG LEU A 43 -10.586 -4.636 -7.311 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.994 -3.604 -6.380 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.744 -4.076 -8.716 1.00 0.24 C ATOM 0 H LEU A 43 -9.706 -5.675 -4.833 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.230 -7.219 -6.622 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.697 -5.604 -7.036 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.663 -6.273 -8.337 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.579 -4.904 -6.950 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.622 -2.713 -6.377 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.940 -4.013 -5.371 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.992 -3.340 -6.719 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -11.372 -3.186 -8.684 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.764 -3.815 -9.116 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -11.209 -4.826 -9.356 1.00 0.24 H new ATOM 647 N VAL A 44 -8.218 -8.368 -5.973 1.00 0.11 N ATOM 648 CA VAL A 44 -7.373 -9.543 -6.144 1.00 0.12 C ATOM 649 C VAL A 44 -8.005 -10.777 -5.500 1.00 0.15 C ATOM 650 O VAL A 44 -7.821 -11.897 -5.976 1.00 0.20 O ATOM 651 CB VAL A 44 -5.957 -9.344 -5.560 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.322 -8.073 -6.093 1.00 0.14 C ATOM 653 CG2 VAL A 44 -5.988 -9.326 -4.043 1.00 0.14 C ATOM 0 H VAL A 44 -7.853 -7.666 -5.328 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.283 -9.693 -7.220 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.348 -10.190 -5.878 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.326 -7.957 -5.666 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.247 -8.132 -7.179 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.937 -7.216 -5.818 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.977 -9.184 -3.660 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.623 -8.509 -3.702 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.386 -10.272 -3.676 1.00 0.14 H new ATOM 663 N LYS A 45 -8.758 -10.564 -4.421 1.00 0.19 N ATOM 664 CA LYS A 45 -9.402 -11.666 -3.707 1.00 0.26 C ATOM 665 C LYS A 45 -10.823 -11.916 -4.217 1.00 0.27 C ATOM 666 O LYS A 45 -11.425 -12.945 -3.907 1.00 0.32 O ATOM 667 CB LYS A 45 -9.436 -11.377 -2.202 1.00 0.32 C ATOM 668 CG LYS A 45 -10.501 -10.369 -1.794 1.00 0.34 C ATOM 669 CD LYS A 45 -10.517 -10.150 -0.289 1.00 0.42 C ATOM 670 CE LYS A 45 -9.264 -9.430 0.188 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.300 -9.167 1.653 1.00 0.75 N ATOM 0 H LYS A 45 -8.937 -9.642 -4.023 1.00 0.19 H new ATOM 0 HA LYS A 45 -8.813 -12.564 -3.892 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.608 -12.310 -1.666 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.460 -11.006 -1.891 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.317 -9.420 -2.298 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.480 -10.720 -2.122 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.397 -9.569 -0.015 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -10.600 -11.111 0.218 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.386 -10.030 -0.052 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.161 -8.487 -0.348 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -8.429 -8.675 1.939 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.123 -8.573 1.879 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -9.373 -10.069 2.166 1.00 0.75 H new ATOM 685 N GLN A 46 -11.354 -10.976 -4.993 1.00 0.26 N ATOM 686 CA GLN A 46 -12.707 -11.106 -5.527 1.00 0.31 C ATOM 687 C GLN A 46 -12.691 -11.329 -7.036 1.00 0.34 C ATOM 688 O GLN A 46 -11.630 -11.446 -7.648 1.00 0.38 O ATOM 689 CB GLN A 46 -13.536 -9.861 -5.201 1.00 0.30 C ATOM 690 CG GLN A 46 -13.715 -9.621 -3.712 1.00 0.30 C ATOM 691 CD GLN A 46 -14.447 -10.755 -3.021 1.00 0.37 C ATOM 692 OE1 GLN A 46 -13.697 -11.740 -2.543 1.00 1.06 O flip ATOM 693 NE2 GLN A 46 -15.673 -10.744 -2.918 1.00 1.27 N flip ATOM 0 H GLN A 46 -10.871 -10.120 -5.265 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.162 -11.976 -5.054 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -13.056 -8.989 -5.646 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.517 -9.957 -5.665 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.737 -9.490 -3.249 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.266 -8.693 -3.561 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -16.210 -9.966 -3.301 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -16.152 -11.513 -2.450 1.00 1.27 H new ATOM 702 N LYS A 47 -13.882 -11.383 -7.626 1.00 0.40 N ATOM 703 CA LYS A 47 -14.024 -11.581 -9.064 1.00 0.46 C ATOM 704 C LYS A 47 -13.622 -10.324 -9.824 1.00 0.42 C ATOM 705 O LYS A 47 -13.596 -10.309 -11.055 1.00 0.47 O ATOM 706 CB LYS A 47 -15.474 -11.933 -9.403 1.00 0.52 C ATOM 707 CG LYS A 47 -16.454 -10.824 -9.057 1.00 0.53 C ATOM 708 CD LYS A 47 -17.855 -11.138 -9.559 1.00 0.85 C ATOM 709 CE LYS A 47 -18.857 -10.092 -9.103 1.00 1.64 C ATOM 710 NZ LYS A 47 -18.450 -8.716 -9.504 1.00 2.55 N ATOM 0 H LYS A 47 -14.767 -11.292 -7.127 1.00 0.40 H new ATOM 0 HA LYS A 47 -13.368 -12.399 -9.361 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -15.548 -12.156 -10.467 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.756 -12.839 -8.867 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.477 -10.682 -7.976 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -16.112 -9.886 -9.494 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.850 -11.188 -10.648 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -18.161 -12.119 -9.196 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -19.835 -10.318 -9.527 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.961 -10.138 -8.019 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -19.245 -8.062 -9.358 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -17.641 -8.411 -8.926 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -18.179 -8.713 -10.508 1.00 2.55 H new ATOM 724 N LYS A 48 -13.314 -9.270 -9.078 1.00 0.36 N ATOM 725 CA LYS A 48 -12.922 -7.996 -9.666 1.00 0.40 C ATOM 726 C LYS A 48 -11.611 -8.109 -10.447 1.00 0.53 C ATOM 727 O LYS A 48 -11.233 -9.187 -10.904 1.00 1.19 O ATOM 728 CB LYS A 48 -12.788 -6.938 -8.572 1.00 0.32 C ATOM 729 CG LYS A 48 -13.981 -6.004 -8.470 1.00 0.73 C ATOM 730 CD LYS A 48 -15.174 -6.695 -7.837 1.00 0.46 C ATOM 731 CE LYS A 48 -14.944 -6.932 -6.354 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.094 -7.629 -5.715 1.00 1.46 N ATOM 0 H LYS A 48 -13.329 -9.274 -8.058 1.00 0.36 H new ATOM 0 HA LYS A 48 -13.701 -7.701 -10.369 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.646 -7.437 -7.613 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -11.891 -6.347 -8.759 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.710 -5.129 -7.879 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -14.251 -5.647 -9.464 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -16.067 -6.086 -7.977 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.355 -7.647 -8.337 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.040 -7.525 -6.218 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.777 -5.977 -5.856 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.896 -7.771 -4.704 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.953 -7.052 -5.822 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.238 -8.552 -6.172 1.00 1.46 H new ATOM 746 N ALA A 49 -10.933 -6.973 -10.592 1.00 0.26 N ATOM 747 CA ALA A 49 -9.667 -6.893 -11.314 1.00 0.22 C ATOM 748 C ALA A 49 -8.673 -7.969 -10.892 1.00 0.20 C ATOM 749 O ALA A 49 -8.856 -8.646 -9.880 1.00 0.24 O ATOM 750 CB ALA A 49 -9.041 -5.530 -11.092 1.00 0.21 C ATOM 0 H ALA A 49 -11.247 -6.080 -10.211 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.894 -7.052 -12.368 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.096 -5.472 -11.632 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.716 -4.756 -11.457 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.861 -5.381 -10.027 1.00 0.21 H new ATOM 756 N SER A 50 -7.614 -8.108 -11.683 1.00 0.21 N ATOM 757 CA SER A 50 -6.558 -9.069 -11.402 1.00 0.21 C ATOM 758 C SER A 50 -5.550 -8.458 -10.440 1.00 0.18 C ATOM 759 O SER A 50 -5.637 -7.274 -10.114 1.00 0.19 O ATOM 760 CB SER A 50 -5.860 -9.490 -12.697 1.00 0.25 C ATOM 761 OG SER A 50 -5.587 -8.367 -13.515 1.00 0.27 O ATOM 0 H SER A 50 -7.466 -7.561 -12.531 1.00 0.21 H new ATOM 0 HA SER A 50 -7.000 -9.954 -10.944 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.930 -10.007 -12.461 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.489 -10.196 -13.240 1.00 0.25 H new ATOM 0 HG SER A 50 -5.288 -8.670 -14.398 1.00 0.27 H new ATOM 767 N PHE A 51 -4.594 -9.258 -9.989 1.00 0.19 N ATOM 768 CA PHE A 51 -3.578 -8.774 -9.065 1.00 0.20 C ATOM 769 C PHE A 51 -2.781 -7.631 -9.685 1.00 0.23 C ATOM 770 O PHE A 51 -2.095 -6.889 -8.985 1.00 0.26 O ATOM 771 CB PHE A 51 -2.634 -9.910 -8.664 1.00 0.23 C ATOM 772 CG PHE A 51 -1.742 -9.553 -7.512 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.157 -9.754 -6.207 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.480 -9.029 -7.736 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.332 -9.440 -5.146 1.00 1.05 C ATOM 776 CE2 PHE A 51 0.350 -8.711 -6.681 1.00 0.97 C ATOM 777 CZ PHE A 51 -0.104 -8.864 -5.378 1.00 0.43 C ATOM 0 H PHE A 51 -4.501 -10.241 -10.246 1.00 0.19 H new ATOM 0 HA PHE A 51 -4.083 -8.402 -8.174 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.223 -10.789 -8.401 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -2.019 -10.183 -9.521 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.139 -10.162 -6.017 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -0.141 -8.867 -8.749 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.650 -9.646 -4.135 1.00 1.05 H new ATOM 0 HE2 PHE A 51 1.349 -8.345 -6.868 1.00 0.97 H new ATOM 0 HZ PHE A 51 0.504 -8.532 -4.550 1.00 0.43 H new ATOM 787 N GLU A 52 -2.887 -7.488 -11.001 1.00 0.25 N ATOM 788 CA GLU A 52 -2.158 -6.448 -11.712 1.00 0.28 C ATOM 789 C GLU A 52 -2.907 -5.112 -11.722 1.00 0.25 C ATOM 790 O GLU A 52 -2.360 -4.095 -11.303 1.00 0.28 O ATOM 791 CB GLU A 52 -1.837 -6.926 -13.133 1.00 0.33 C ATOM 792 CG GLU A 52 -2.927 -6.660 -14.160 1.00 0.35 C ATOM 793 CD GLU A 52 -2.591 -7.222 -15.529 1.00 0.43 C ATOM 794 OE1 GLU A 52 -2.934 -8.394 -15.790 1.00 0.83 O ATOM 795 OE2 GLU A 52 -1.987 -6.489 -16.339 1.00 0.80 O ATOM 0 H GLU A 52 -3.470 -8.078 -11.595 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.225 -6.264 -11.180 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.919 -6.441 -13.465 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.639 -7.997 -13.104 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.863 -7.097 -13.812 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -3.088 -5.585 -14.243 1.00 0.35 H new ATOM 802 N GLU A 53 -4.149 -5.113 -12.200 1.00 0.24 N ATOM 803 CA GLU A 53 -4.945 -3.891 -12.245 1.00 0.23 C ATOM 804 C GLU A 53 -5.236 -3.413 -10.836 1.00 0.19 C ATOM 805 O GLU A 53 -5.233 -2.215 -10.556 1.00 0.21 O ATOM 806 CB GLU A 53 -6.252 -4.131 -12.997 1.00 0.27 C ATOM 807 CG GLU A 53 -7.250 -2.996 -12.854 1.00 1.06 C ATOM 808 CD GLU A 53 -8.392 -3.091 -13.847 1.00 1.05 C ATOM 809 OE1 GLU A 53 -8.231 -2.599 -14.984 1.00 1.23 O ATOM 810 OE2 GLU A 53 -9.446 -3.656 -13.488 1.00 1.26 O ATOM 0 H GLU A 53 -4.623 -5.941 -12.559 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.378 -3.124 -12.773 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.032 -4.280 -14.054 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.707 -5.052 -12.634 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.654 -2.998 -11.841 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.734 -2.045 -12.990 1.00 1.06 H new ATOM 817 N ALA A 54 -5.496 -4.366 -9.956 1.00 0.19 N ATOM 818 CA ALA A 54 -5.776 -4.064 -8.568 1.00 0.16 C ATOM 819 C ALA A 54 -4.574 -3.390 -7.923 1.00 0.18 C ATOM 820 O ALA A 54 -4.697 -2.315 -7.329 1.00 0.17 O ATOM 821 CB ALA A 54 -6.149 -5.335 -7.827 1.00 0.16 C ATOM 0 H ALA A 54 -5.518 -5.360 -10.183 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.619 -3.375 -8.515 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.358 -5.100 -6.783 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -7.035 -5.776 -8.284 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.322 -6.043 -7.880 1.00 0.16 H new ATOM 827 N SER A 55 -3.403 -4.013 -8.056 1.00 0.26 N ATOM 828 CA SER A 55 -2.192 -3.445 -7.487 1.00 0.31 C ATOM 829 C SER A 55 -1.894 -2.131 -8.180 1.00 0.33 C ATOM 830 O SER A 55 -1.332 -1.214 -7.586 1.00 0.39 O ATOM 831 CB SER A 55 -1.015 -4.402 -7.643 1.00 0.43 C ATOM 832 OG SER A 55 -0.732 -4.632 -9.011 1.00 1.20 O ATOM 0 H SER A 55 -3.273 -4.898 -8.546 1.00 0.26 H new ATOM 0 HA SER A 55 -2.344 -3.276 -6.421 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.136 -3.988 -7.150 1.00 0.43 H new ATOM 0 HB3 SER A 55 -1.241 -5.347 -7.150 1.00 0.43 H new ATOM 0 HG SER A 55 -1.226 -5.420 -9.319 1.00 1.20 H new ATOM 838 N ASN A 56 -2.288 -2.054 -9.445 1.00 0.32 N ATOM 839 CA ASN A 56 -2.089 -0.855 -10.235 1.00 0.35 C ATOM 840 C ASN A 56 -2.886 0.295 -9.640 1.00 0.30 C ATOM 841 O ASN A 56 -2.411 1.426 -9.585 1.00 0.34 O ATOM 842 CB ASN A 56 -2.506 -1.102 -11.690 1.00 0.40 C ATOM 843 CG ASN A 56 -1.361 -1.616 -12.545 1.00 0.49 C ATOM 844 OD1 ASN A 56 -0.145 -1.172 -12.243 1.00 1.19 O flip ATOM 845 ND2 ASN A 56 -1.568 -2.401 -13.471 1.00 1.19 N flip ATOM 0 H ASN A 56 -2.749 -2.815 -9.944 1.00 0.32 H new ATOM 0 HA ASN A 56 -1.031 -0.592 -10.221 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.324 -1.822 -11.713 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -2.886 -0.174 -12.118 1.00 0.40 H new ATOM 0 HD21 ASN A 56 -2.517 -2.717 -13.669 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -0.790 -2.735 -14.040 1.00 1.19 H new ATOM 852 N GLN A 57 -4.098 -0.006 -9.185 1.00 0.25 N ATOM 853 CA GLN A 57 -4.948 1.001 -8.570 1.00 0.24 C ATOM 854 C GLN A 57 -4.400 1.351 -7.193 1.00 0.20 C ATOM 855 O GLN A 57 -4.553 2.474 -6.720 1.00 0.19 O ATOM 856 CB GLN A 57 -6.387 0.498 -8.457 1.00 0.27 C ATOM 857 CG GLN A 57 -7.400 1.610 -8.242 1.00 0.85 C ATOM 858 CD GLN A 57 -7.888 1.694 -6.808 1.00 1.10 C ATOM 859 OE1 GLN A 57 -8.844 1.022 -6.425 1.00 1.66 O ATOM 860 NE2 GLN A 57 -7.237 2.532 -6.011 1.00 1.57 N ATOM 0 H GLN A 57 -4.511 -0.938 -9.231 1.00 0.25 H new ATOM 0 HA GLN A 57 -4.951 1.893 -9.196 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.645 -0.048 -9.364 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.453 -0.209 -7.630 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.952 2.563 -8.524 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -8.253 1.451 -8.902 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -6.449 3.070 -6.371 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -7.525 2.638 -5.038 1.00 1.57 H new ATOM 869 N LEU A 58 -3.763 0.371 -6.552 1.00 0.19 N ATOM 870 CA LEU A 58 -3.166 0.583 -5.238 1.00 0.17 C ATOM 871 C LEU A 58 -2.024 1.585 -5.351 1.00 0.17 C ATOM 872 O LEU A 58 -2.032 2.621 -4.686 1.00 0.18 O ATOM 873 CB LEU A 58 -2.640 -0.744 -4.651 1.00 0.19 C ATOM 874 CG LEU A 58 -2.663 -0.876 -3.112 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.539 -1.792 -2.631 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.555 0.486 -2.435 1.00 0.20 C ATOM 0 H LEU A 58 -3.649 -0.573 -6.921 1.00 0.19 H new ATOM 0 HA LEU A 58 -3.933 0.974 -4.569 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.228 -1.560 -5.072 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.613 -0.883 -4.990 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.620 -1.318 -2.835 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.574 -1.871 -1.544 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.663 -2.782 -3.071 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.577 -1.378 -2.934 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.574 0.357 -1.353 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.620 0.964 -2.727 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.393 1.112 -2.741 1.00 0.20 H new ATOM 888 N ILE A 59 -1.051 1.284 -6.209 1.00 0.19 N ATOM 889 CA ILE A 59 0.087 2.173 -6.391 1.00 0.20 C ATOM 890 C ILE A 59 -0.401 3.516 -6.928 1.00 0.18 C ATOM 891 O ILE A 59 0.095 4.573 -6.546 1.00 0.16 O ATOM 892 CB ILE A 59 1.117 1.592 -7.384 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.308 0.091 -7.137 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.431 2.346 -7.277 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.508 -0.719 -8.395 1.00 0.38 C ATOM 0 H ILE A 59 -1.030 0.440 -6.782 1.00 0.19 H new ATOM 0 HA ILE A 59 0.571 2.292 -5.422 1.00 0.20 H new ATOM 0 HB ILE A 59 0.742 1.716 -8.400 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.169 -0.052 -6.484 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.437 -0.293 -6.605 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.149 1.927 -7.982 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.267 3.398 -7.509 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.822 2.254 -6.264 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.636 -1.770 -8.135 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.637 -0.608 -9.041 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.396 -0.365 -8.919 1.00 0.38 H new ATOM 907 N ASN A 60 -1.376 3.450 -7.838 1.00 0.20 N ATOM 908 CA ASN A 60 -1.964 4.646 -8.435 1.00 0.20 C ATOM 909 C ASN A 60 -2.502 5.560 -7.348 1.00 0.17 C ATOM 910 O ASN A 60 -2.241 6.767 -7.339 1.00 0.18 O ATOM 911 CB ASN A 60 -3.086 4.260 -9.397 1.00 0.22 C ATOM 912 CG ASN A 60 -2.586 4.009 -10.805 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.445 3.592 -11.006 1.00 0.81 O ATOM 914 ND2 ASN A 60 -3.439 4.264 -11.789 1.00 1.05 N ATOM 0 H ASN A 60 -1.775 2.575 -8.177 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.191 5.175 -8.992 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.584 3.364 -9.027 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.832 5.054 -9.417 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -3.159 4.115 -12.758 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -4.375 4.609 -11.576 1.00 1.05 H new ATOM 921 N HIS A 61 -3.262 4.978 -6.431 1.00 0.16 N ATOM 922 CA HIS A 61 -3.808 5.732 -5.323 1.00 0.16 C ATOM 923 C HIS A 61 -2.650 6.313 -4.522 1.00 0.13 C ATOM 924 O HIS A 61 -2.703 7.448 -4.033 1.00 0.12 O ATOM 925 CB HIS A 61 -4.691 4.817 -4.471 1.00 0.20 C ATOM 926 CG HIS A 61 -4.379 4.866 -3.019 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.311 4.203 -2.472 1.00 0.23 N ATOM 928 CD2 HIS A 61 -4.986 5.515 -2.005 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.270 4.438 -1.183 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.274 5.235 -0.869 1.00 0.30 N ATOM 0 H HIS A 61 -3.511 3.989 -6.436 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.432 6.553 -5.676 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.735 5.094 -4.619 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.581 3.791 -4.822 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -5.866 6.137 -2.075 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.537 4.045 -0.494 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.485 5.585 0.066 1.00 0.30 H new ATOM 939 N ILE A 62 -1.591 5.517 -4.416 1.00 0.14 N ATOM 940 CA ILE A 62 -0.387 5.929 -3.720 1.00 0.13 C ATOM 941 C ILE A 62 0.267 7.086 -4.459 1.00 0.11 C ATOM 942 O ILE A 62 0.979 7.891 -3.866 1.00 0.12 O ATOM 943 CB ILE A 62 0.606 4.761 -3.599 1.00 0.14 C ATOM 944 CG1 ILE A 62 0.011 3.665 -2.721 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.937 5.243 -3.048 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.092 4.035 -1.258 1.00 0.75 C ATOM 0 H ILE A 62 -1.547 4.576 -4.808 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.665 6.249 -2.716 1.00 0.13 H new ATOM 0 HB ILE A 62 0.790 4.348 -4.591 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -0.983 3.416 -3.093 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.621 2.767 -2.816 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.625 4.401 -2.970 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.357 5.994 -3.717 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.785 5.680 -2.061 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.525 3.203 -0.702 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.902 4.255 -0.867 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.727 4.914 -1.149 1.00 0.75 H new ATOM 958 N GLU A 63 0.028 7.155 -5.767 1.00 0.12 N ATOM 959 CA GLU A 63 0.570 8.234 -6.579 1.00 0.13 C ATOM 960 C GLU A 63 -0.169 9.522 -6.258 1.00 0.12 C ATOM 961 O GLU A 63 0.445 10.577 -6.103 1.00 0.11 O ATOM 962 CB GLU A 63 0.462 7.906 -8.067 1.00 0.17 C ATOM 963 CG GLU A 63 1.396 6.792 -8.499 1.00 0.17 C ATOM 964 CD GLU A 63 1.222 6.412 -9.955 1.00 0.21 C ATOM 965 OE1 GLU A 63 1.687 7.175 -10.827 1.00 0.70 O ATOM 966 OE2 GLU A 63 0.623 5.350 -10.225 1.00 0.80 O ATOM 0 H GLU A 63 -0.535 6.478 -6.282 1.00 0.12 H new ATOM 0 HA GLU A 63 1.628 8.357 -6.346 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.565 7.621 -8.297 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.682 8.802 -8.648 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.427 7.102 -8.330 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.221 5.915 -7.876 1.00 0.17 H new ATOM 973 N GLN A 64 -1.497 9.431 -6.167 1.00 0.14 N ATOM 974 CA GLN A 64 -2.305 10.591 -5.813 1.00 0.14 C ATOM 975 C GLN A 64 -1.777 11.153 -4.501 1.00 0.11 C ATOM 976 O GLN A 64 -1.505 12.354 -4.368 1.00 0.10 O ATOM 977 CB GLN A 64 -3.779 10.206 -5.673 1.00 0.18 C ATOM 978 CG GLN A 64 -4.690 11.383 -5.365 1.00 0.91 C ATOM 979 CD GLN A 64 -6.122 10.962 -5.101 1.00 1.57 C ATOM 980 OE1 GLN A 64 -6.377 9.863 -4.608 1.00 2.40 O ATOM 981 NE2 GLN A 64 -7.066 11.835 -5.429 1.00 2.11 N ATOM 0 H GLN A 64 -2.027 8.575 -6.332 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.236 11.342 -6.600 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -4.111 9.732 -6.597 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.878 9.464 -4.881 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.306 11.916 -4.495 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -4.669 12.082 -6.202 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -6.810 12.735 -5.835 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -8.048 11.606 -5.275 1.00 2.11 H new ATOM 990 N PHE A 65 -1.626 10.264 -3.522 1.00 0.11 N ATOM 991 CA PHE A 65 -1.082 10.667 -2.242 1.00 0.11 C ATOM 992 C PHE A 65 0.306 11.267 -2.466 1.00 0.10 C ATOM 993 O PHE A 65 0.585 12.384 -2.045 1.00 0.12 O ATOM 994 CB PHE A 65 -0.991 9.476 -1.276 1.00 0.14 C ATOM 995 CG PHE A 65 0.354 9.361 -0.627 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.825 10.364 0.209 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.163 8.278 -0.890 1.00 0.14 C ATOM 998 CE1 PHE A 65 2.079 10.278 0.769 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.419 8.190 -0.338 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.877 9.191 0.490 1.00 0.16 C ATOM 0 H PHE A 65 -1.870 9.276 -3.594 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.744 11.407 -1.792 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.754 9.579 -0.505 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.208 8.556 -1.818 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.202 11.220 0.422 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.807 7.490 -1.537 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.436 11.059 1.424 1.00 0.18 H new ATOM 0 HE2 PHE A 65 3.046 7.337 -0.553 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.865 9.123 0.922 1.00 0.16 H new ATOM 1010 N LEU A 66 1.174 10.508 -3.131 1.00 0.09 N ATOM 1011 CA LEU A 66 2.530 10.964 -3.396 1.00 0.10 C ATOM 1012 C LEU A 66 2.503 12.305 -4.112 1.00 0.11 C ATOM 1013 O LEU A 66 3.499 13.024 -4.146 1.00 0.17 O ATOM 1014 CB LEU A 66 3.315 9.914 -4.191 1.00 0.11 C ATOM 1015 CG LEU A 66 3.876 8.761 -3.344 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.558 7.726 -4.223 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.845 9.284 -2.285 1.00 0.08 C ATOM 0 H LEU A 66 0.961 9.579 -3.494 1.00 0.09 H new ATOM 0 HA LEU A 66 3.045 11.101 -2.445 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.665 9.499 -4.961 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.141 10.407 -4.703 1.00 0.11 H new ATOM 0 HG LEU A 66 3.039 8.282 -2.836 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.947 6.920 -3.601 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.838 7.321 -4.934 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.379 8.194 -4.766 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.228 8.449 -1.699 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.675 9.796 -2.772 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.324 9.980 -1.628 1.00 0.08 H new ATOM 1029 N ASP A 67 1.354 12.636 -4.690 1.00 0.09 N ATOM 1030 CA ASP A 67 1.194 13.918 -5.348 1.00 0.10 C ATOM 1031 C ASP A 67 1.004 14.976 -4.273 1.00 0.11 C ATOM 1032 O ASP A 67 1.545 16.078 -4.365 1.00 0.13 O ATOM 1033 CB ASP A 67 0.011 13.903 -6.312 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.035 15.137 -7.191 1.00 0.12 C ATOM 1035 OD1 ASP A 67 -0.595 16.163 -6.749 1.00 0.17 O ATOM 1036 OD2 ASP A 67 0.490 15.079 -8.324 1.00 0.18 O ATOM 0 H ASP A 67 0.529 12.037 -4.714 1.00 0.09 H new ATOM 0 HA ASP A 67 2.080 14.140 -5.942 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.070 13.015 -6.941 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.916 13.831 -5.744 1.00 0.11 H new ATOM 1041 N THR A 68 0.222 14.627 -3.245 1.00 0.10 N ATOM 1042 CA THR A 68 0.000 15.536 -2.118 1.00 0.12 C ATOM 1043 C THR A 68 1.310 15.757 -1.363 1.00 0.13 C ATOM 1044 O THR A 68 2.353 15.220 -1.741 1.00 0.13 O ATOM 1045 CB THR A 68 -1.077 15.012 -1.131 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.676 16.113 -0.439 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.493 14.044 -0.109 1.00 0.13 C ATOM 0 H THR A 68 -0.262 13.732 -3.171 1.00 0.10 H new ATOM 0 HA THR A 68 -0.364 16.475 -2.534 1.00 0.12 H new ATOM 0 HB THR A 68 -1.824 14.478 -1.718 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.356 15.778 0.182 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.282 13.703 0.561 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.060 13.187 -0.625 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.281 14.549 0.469 1.00 0.13 H new ATOM 1055 N ASN A 69 1.255 16.543 -0.295 1.00 0.15 N ATOM 1056 CA ASN A 69 2.443 16.828 0.505 1.00 0.17 C ATOM 1057 C ASN A 69 2.326 16.233 1.908 1.00 0.18 C ATOM 1058 O ASN A 69 3.206 16.421 2.749 1.00 0.20 O ATOM 1059 CB ASN A 69 2.655 18.335 0.591 1.00 0.19 C ATOM 1060 CG ASN A 69 3.258 18.906 -0.677 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.542 19.327 -1.585 1.00 0.91 O ATOM 1062 ND2 ASN A 69 4.585 18.916 -0.748 1.00 1.16 N ATOM 0 H ASN A 69 0.403 16.994 0.038 1.00 0.15 H new ATOM 0 HA ASN A 69 3.301 16.366 0.017 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.700 18.823 0.788 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.308 18.560 1.434 1.00 0.19 H new ATOM 0 HD21 ASN A 69 5.048 19.283 -1.579 1.00 1.16 H new ATOM 0 HD22 ASN A 69 5.140 18.557 0.029 1.00 1.16 H new ATOM 1069 N GLU A 70 1.237 15.516 2.147 1.00 0.17 N ATOM 1070 CA GLU A 70 0.989 14.890 3.443 1.00 0.19 C ATOM 1071 C GLU A 70 1.776 13.588 3.576 1.00 0.17 C ATOM 1072 O GLU A 70 1.789 12.770 2.656 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.507 14.603 3.596 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.397 15.698 3.029 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.605 16.843 4.000 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -2.543 16.762 4.821 1.00 0.76 O ATOM 1077 OE2 GLU A 70 -0.830 17.820 3.941 1.00 0.73 O ATOM 0 H GLU A 70 0.505 15.351 1.456 1.00 0.17 H new ATOM 0 HA GLU A 70 1.316 15.574 4.226 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.741 13.662 3.098 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.737 14.470 4.653 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.953 16.082 2.110 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.365 15.273 2.762 1.00 0.22 H new ATOM 1084 N THR A 71 2.432 13.392 4.722 1.00 0.12 N ATOM 1085 CA THR A 71 3.206 12.174 4.946 1.00 0.10 C ATOM 1086 C THR A 71 2.478 11.127 5.799 1.00 0.13 C ATOM 1087 O THR A 71 2.942 9.999 5.871 1.00 0.13 O ATOM 1088 CB THR A 71 4.576 12.445 5.583 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.427 13.238 6.766 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.497 13.147 4.597 1.00 0.11 C ATOM 0 H THR A 71 2.442 14.053 5.499 1.00 0.12 H new ATOM 0 HA THR A 71 3.343 11.771 3.943 1.00 0.10 H new ATOM 0 HB THR A 71 5.022 11.488 5.854 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.308 13.402 7.163 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.463 13.330 5.068 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.636 12.518 3.718 1.00 0.11 H new ATOM 0 HG23 THR A 71 5.054 14.097 4.298 1.00 0.11 H new ATOM 1098 N PRO A 72 1.360 11.437 6.491 1.00 0.17 N ATOM 1099 CA PRO A 72 0.663 10.407 7.256 1.00 0.23 C ATOM 1100 C PRO A 72 0.440 9.196 6.372 1.00 0.17 C ATOM 1101 O PRO A 72 0.362 8.055 6.829 1.00 0.17 O ATOM 1102 CB PRO A 72 -0.676 11.050 7.596 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.408 12.510 7.591 1.00 0.32 C ATOM 1104 CD PRO A 72 0.696 12.749 6.595 1.00 0.18 C ATOM 0 HA PRO A 72 1.211 10.079 8.139 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.439 10.785 6.864 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.039 10.718 8.569 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.304 13.066 7.315 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.114 12.852 8.583 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.303 13.077 5.632 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.385 13.521 6.938 1.00 0.18 H new ATOM 1112 N TYR A 73 0.346 9.497 5.085 1.00 0.16 N ATOM 1113 CA TYR A 73 0.119 8.516 4.044 1.00 0.16 C ATOM 1114 C TYR A 73 1.426 7.916 3.497 1.00 0.13 C ATOM 1115 O TYR A 73 1.385 6.891 2.828 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.680 9.184 2.920 1.00 0.18 C ATOM 1117 CG TYR A 73 -1.883 9.965 3.415 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.628 9.514 4.499 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.273 11.151 2.802 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -3.725 10.221 4.956 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.368 11.864 3.256 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.093 11.400 4.316 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.181 12.101 4.783 1.00 0.50 O ATOM 0 H TYR A 73 0.428 10.451 4.732 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.439 7.683 4.471 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.023 9.856 2.367 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -1.016 8.419 2.220 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.345 8.596 4.992 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.711 11.522 1.957 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.291 9.861 5.802 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.649 12.788 2.772 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.313 12.903 4.235 1.00 0.50 H new ATOM 1133 N PHE A 74 2.579 8.559 3.751 1.00 0.11 N ATOM 1134 CA PHE A 74 3.858 8.043 3.236 1.00 0.10 C ATOM 1135 C PHE A 74 4.286 6.762 3.955 1.00 0.09 C ATOM 1136 O PHE A 74 4.791 5.827 3.325 1.00 0.08 O ATOM 1137 CB PHE A 74 4.949 9.149 3.190 1.00 0.11 C ATOM 1138 CG PHE A 74 5.854 9.354 4.389 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.389 9.001 5.649 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.141 9.848 4.284 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.184 9.139 6.768 1.00 0.75 C ATOM 1142 CE2 PHE A 74 7.942 9.993 5.403 1.00 0.73 C ATOM 1143 CZ PHE A 74 7.568 9.825 6.534 1.00 0.17 C ATOM 0 H PHE A 74 2.652 9.417 4.297 1.00 0.11 H new ATOM 0 HA PHE A 74 3.710 7.747 2.197 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.587 8.943 2.330 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.446 10.096 2.994 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.387 8.612 5.755 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.527 10.125 3.314 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.870 8.795 7.742 1.00 0.75 H new ATOM 0 HE2 PHE A 74 8.973 10.276 5.251 1.00 0.73 H new ATOM 0 HZ PHE A 74 8.175 10.141 7.369 1.00 0.17 H new ATOM 1153 N MET A 75 4.057 6.693 5.253 1.00 0.09 N ATOM 1154 CA MET A 75 4.375 5.483 5.988 1.00 0.09 C ATOM 1155 C MET A 75 3.266 4.494 5.694 1.00 0.09 C ATOM 1156 O MET A 75 3.482 3.286 5.591 1.00 0.11 O ATOM 1157 CB MET A 75 4.494 5.748 7.492 1.00 0.14 C ATOM 1158 CG MET A 75 3.956 7.096 7.933 1.00 0.30 C ATOM 1159 SD MET A 75 3.283 7.068 9.605 1.00 0.52 S ATOM 1160 CE MET A 75 4.720 6.553 10.543 1.00 1.81 C ATOM 0 H MET A 75 3.659 7.447 5.813 1.00 0.09 H new ATOM 0 HA MET A 75 5.343 5.091 5.676 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.962 4.964 8.030 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.543 5.677 7.780 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.755 7.836 7.880 1.00 0.30 H new ATOM 0 HG3 MET A 75 3.179 7.416 7.239 1.00 0.30 H new ATOM 0 HE1 MET A 75 4.510 6.643 11.609 1.00 1.81 H new ATOM 0 HE2 MET A 75 4.957 5.516 10.306 1.00 1.81 H new ATOM 0 HE3 MET A 75 5.569 7.187 10.286 1.00 1.81 H new ATOM 1170 N LYS A 76 2.069 5.043 5.537 1.00 0.09 N ATOM 1171 CA LYS A 76 0.910 4.253 5.188 1.00 0.10 C ATOM 1172 C LYS A 76 1.105 3.743 3.769 1.00 0.10 C ATOM 1173 O LYS A 76 0.546 2.718 3.372 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.353 5.100 5.301 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.626 4.360 4.936 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.451 5.141 3.928 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.666 5.406 2.654 1.00 0.33 C ATOM 1178 NZ LYS A 76 -2.520 5.982 1.579 1.00 0.96 N ATOM 0 H LYS A 76 1.881 6.039 5.648 1.00 0.09 H new ATOM 0 HA LYS A 76 0.798 3.409 5.868 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.440 5.470 6.323 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.253 5.971 4.654 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.375 3.383 4.524 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.217 4.185 5.835 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.358 4.585 3.689 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.764 6.088 4.368 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -0.845 6.090 2.870 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -1.221 4.475 2.303 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -1.920 6.468 0.882 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -3.048 5.219 1.109 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -3.189 6.661 1.994 1.00 0.96 H new ATOM 1192 N SER A 77 1.913 4.481 3.001 1.00 0.09 N ATOM 1193 CA SER A 77 2.237 4.083 1.642 1.00 0.09 C ATOM 1194 C SER A 77 3.087 2.843 1.745 1.00 0.08 C ATOM 1195 O SER A 77 2.828 1.840 1.088 1.00 0.09 O ATOM 1196 CB SER A 77 3.003 5.175 0.893 1.00 0.10 C ATOM 1197 OG SER A 77 4.399 5.021 1.055 1.00 0.10 O ATOM 0 H SER A 77 2.349 5.352 3.302 1.00 0.09 H new ATOM 0 HA SER A 77 1.320 3.903 1.082 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.751 5.139 -0.167 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.697 6.155 1.260 1.00 0.10 H new ATOM 0 HG SER A 77 4.689 5.494 1.863 1.00 0.10 H new ATOM 1203 N ILE A 78 4.114 2.926 2.593 1.00 0.09 N ATOM 1204 CA ILE A 78 4.976 1.785 2.830 1.00 0.09 C ATOM 1205 C ILE A 78 4.095 0.593 3.168 1.00 0.11 C ATOM 1206 O ILE A 78 4.355 -0.533 2.749 1.00 0.12 O ATOM 1207 CB ILE A 78 5.984 2.049 3.984 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.391 1.669 3.549 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.606 1.284 5.245 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.897 2.518 2.417 1.00 0.13 C ATOM 0 H ILE A 78 4.361 3.765 3.118 1.00 0.09 H new ATOM 0 HA ILE A 78 5.565 1.591 1.933 1.00 0.09 H new ATOM 0 HB ILE A 78 5.951 3.114 4.215 1.00 0.08 H new ATOM 0 HG12 ILE A 78 8.067 1.763 4.399 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.403 0.622 3.246 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.333 1.493 6.029 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.615 1.595 5.576 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.598 0.215 5.033 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.905 2.203 2.148 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.239 2.405 1.555 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.914 3.563 2.726 1.00 0.13 H new ATOM 1222 N ASP A 79 3.031 0.878 3.915 1.00 0.11 N ATOM 1223 CA ASP A 79 2.077 -0.142 4.315 1.00 0.13 C ATOM 1224 C ASP A 79 1.340 -0.709 3.103 1.00 0.13 C ATOM 1225 O ASP A 79 1.081 -1.910 3.036 1.00 0.16 O ATOM 1226 CB ASP A 79 1.086 0.434 5.330 1.00 0.13 C ATOM 1227 CG ASP A 79 1.573 0.294 6.758 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.276 -0.743 7.388 1.00 0.69 O ATOM 1229 OD2 ASP A 79 2.252 1.222 7.247 1.00 0.68 O ATOM 0 H ASP A 79 2.811 1.814 4.255 1.00 0.11 H new ATOM 0 HA ASP A 79 2.624 -0.960 4.784 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.915 1.488 5.109 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.127 -0.073 5.225 1.00 0.13 H new ATOM 1234 N CYS A 80 0.981 0.153 2.151 1.00 0.14 N ATOM 1235 CA CYS A 80 0.305 -0.309 0.942 1.00 0.16 C ATOM 1236 C CYS A 80 1.214 -1.296 0.231 1.00 0.14 C ATOM 1237 O CYS A 80 0.783 -2.365 -0.222 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.015 0.851 0.004 1.00 0.23 C ATOM 1239 SG CYS A 80 1.288 1.186 -1.205 1.00 0.65 S ATOM 0 H CYS A 80 1.144 1.159 2.193 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.636 -0.781 1.224 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -0.943 0.634 -0.525 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.189 1.749 0.597 1.00 0.23 H new ATOM 0 HG CYS A 80 2.178 1.973 -0.677 1.00 0.65 H new ATOM 1245 N ILE A 81 2.486 -0.913 0.122 1.00 0.16 N ATOM 1246 CA ILE A 81 3.478 -1.767 -0.488 1.00 0.17 C ATOM 1247 C ILE A 81 3.449 -3.091 0.261 1.00 0.17 C ATOM 1248 O ILE A 81 3.517 -4.167 -0.321 1.00 0.19 O ATOM 1249 CB ILE A 81 4.898 -1.173 -0.366 1.00 0.18 C ATOM 1250 CG1 ILE A 81 5.147 -0.109 -1.431 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.949 -2.265 -0.446 1.00 0.20 C ATOM 1252 CD1 ILE A 81 4.895 1.295 -0.938 1.00 0.32 C ATOM 0 H ILE A 81 2.843 -0.016 0.451 1.00 0.16 H new ATOM 0 HA ILE A 81 3.250 -1.880 -1.548 1.00 0.17 H new ATOM 0 HB ILE A 81 4.973 -0.694 0.610 1.00 0.18 H new ATOM 0 HG12 ILE A 81 6.177 -0.186 -1.778 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.505 -0.306 -2.290 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.941 -1.822 -0.358 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.796 -2.977 0.365 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.866 -2.781 -1.403 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.090 2.004 -1.743 1.00 0.32 H new ATOM 0 HD12 ILE A 81 3.857 1.387 -0.617 1.00 0.32 H new ATOM 0 HD13 ILE A 81 5.555 1.510 -0.098 1.00 0.32 H new ATOM 1264 N ARG A 82 3.354 -2.969 1.581 1.00 0.18 N ATOM 1265 CA ARG A 82 3.294 -4.115 2.471 1.00 0.20 C ATOM 1266 C ARG A 82 2.060 -4.956 2.163 1.00 0.26 C ATOM 1267 O ARG A 82 2.062 -6.172 2.345 1.00 0.36 O ATOM 1268 CB ARG A 82 3.251 -3.637 3.926 1.00 0.18 C ATOM 1269 CG ARG A 82 4.566 -3.765 4.671 1.00 0.18 C ATOM 1270 CD ARG A 82 5.467 -2.556 4.451 1.00 0.16 C ATOM 1271 NE ARG A 82 6.609 -2.558 5.364 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.499 -3.544 5.442 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.409 -4.598 4.638 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.492 -3.474 6.318 1.00 0.85 N ATOM 0 H ARG A 82 3.317 -2.070 2.061 1.00 0.18 H new ATOM 0 HA ARG A 82 4.182 -4.728 2.321 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.939 -2.593 3.943 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.489 -4.206 4.459 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.369 -3.881 5.737 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.083 -4.667 4.342 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.825 -2.551 3.421 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.890 -1.642 4.592 1.00 0.16 H new ATOM 0 HE ARG A 82 6.731 -1.754 5.979 1.00 0.33 H new ATOM 0 HH11 ARG A 82 6.654 -4.655 3.955 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.095 -5.350 4.704 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.574 -2.664 6.932 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.174 -4.230 6.377 1.00 0.85 H new ATOM 1288 N ALA A 83 1.005 -4.290 1.696 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.241 -4.963 1.358 1.00 0.27 C ATOM 1290 C ALA A 83 -0.070 -5.868 0.146 1.00 0.31 C ATOM 1291 O ALA A 83 -0.289 -7.077 0.231 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.340 -3.952 1.096 1.00 0.25 C ATOM 0 H ALA A 83 0.992 -3.281 1.544 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.522 -5.581 2.210 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.263 -4.475 0.845 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.497 -3.346 1.988 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -1.051 -3.307 0.266 1.00 0.25 H new ATOM 1298 N PHE A 84 0.322 -5.284 -0.983 1.00 0.30 N ATOM 1299 CA PHE A 84 0.511 -6.068 -2.203 1.00 0.40 C ATOM 1300 C PHE A 84 1.678 -7.031 -2.036 1.00 0.36 C ATOM 1301 O PHE A 84 1.782 -8.034 -2.740 1.00 0.36 O ATOM 1302 CB PHE A 84 0.749 -5.151 -3.412 1.00 0.65 C ATOM 1303 CG PHE A 84 2.181 -5.114 -3.871 1.00 1.18 C ATOM 1304 CD1 PHE A 84 3.143 -4.462 -3.122 1.00 2.00 C ATOM 1305 CD2 PHE A 84 2.561 -5.741 -5.046 1.00 2.05 C ATOM 1306 CE1 PHE A 84 4.461 -4.434 -3.534 1.00 3.01 C ATOM 1307 CE2 PHE A 84 3.877 -5.717 -5.463 1.00 3.01 C ATOM 1308 CZ PHE A 84 4.828 -5.062 -4.704 1.00 3.37 C ATOM 0 H PHE A 84 0.513 -4.287 -1.080 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.398 -6.642 -2.383 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.121 -5.484 -4.238 1.00 0.65 H new ATOM 0 HB3 PHE A 84 0.432 -4.140 -3.158 1.00 0.65 H new ATOM 0 HD1 PHE A 84 2.860 -3.969 -2.204 1.00 2.00 H new ATOM 0 HD2 PHE A 84 1.821 -6.254 -5.642 1.00 2.05 H new ATOM 0 HE1 PHE A 84 5.203 -3.921 -2.940 1.00 3.01 H new ATOM 0 HE2 PHE A 84 4.163 -6.209 -6.381 1.00 3.01 H new ATOM 0 HZ PHE A 84 5.858 -5.042 -5.028 1.00 3.37 H new ATOM 1318 N ARG A 85 2.553 -6.705 -1.098 1.00 0.39 N ATOM 1319 CA ARG A 85 3.729 -7.514 -0.821 1.00 0.43 C ATOM 1320 C ARG A 85 3.343 -8.883 -0.264 1.00 0.38 C ATOM 1321 O ARG A 85 3.706 -9.917 -0.824 1.00 0.37 O ATOM 1322 CB ARG A 85 4.635 -6.754 0.150 1.00 0.56 C ATOM 1323 CG ARG A 85 5.418 -7.619 1.117 1.00 0.88 C ATOM 1324 CD ARG A 85 6.038 -6.762 2.203 1.00 0.72 C ATOM 1325 NE ARG A 85 6.592 -7.565 3.290 1.00 1.07 N ATOM 1326 CZ ARG A 85 7.890 -7.622 3.577 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.763 -6.925 2.865 1.00 1.31 N ATOM 1328 NH2 ARG A 85 8.314 -8.382 4.579 1.00 1.75 N ATOM 0 H ARG A 85 2.469 -5.876 -0.510 1.00 0.39 H new ATOM 0 HA ARG A 85 4.269 -7.694 -1.751 1.00 0.43 H new ATOM 0 HB2 ARG A 85 5.339 -6.156 -0.428 1.00 0.56 H new ATOM 0 HB3 ARG A 85 4.022 -6.059 0.724 1.00 0.56 H new ATOM 0 HG2 ARG A 85 4.760 -8.365 1.563 1.00 0.88 H new ATOM 0 HG3 ARG A 85 6.198 -8.161 0.582 1.00 0.88 H new ATOM 0 HD2 ARG A 85 6.826 -6.145 1.771 1.00 0.72 H new ATOM 0 HD3 ARG A 85 5.285 -6.083 2.602 1.00 0.72 H new ATOM 0 HE ARG A 85 5.948 -8.113 3.861 1.00 1.07 H new ATOM 0 HH11 ARG A 85 8.441 -6.341 2.093 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.757 -6.972 3.089 1.00 1.31 H new ATOM 0 HH21 ARG A 85 7.645 -8.922 5.128 1.00 1.75 H new ATOM 0 HH22 ARG A 85 9.309 -8.426 4.800 1.00 1.75 H new ATOM 1342 N GLU A 86 2.603 -8.880 0.840 1.00 0.38 N ATOM 1343 CA GLU A 86 2.169 -10.120 1.472 1.00 0.36 C ATOM 1344 C GLU A 86 1.211 -10.890 0.567 1.00 0.31 C ATOM 1345 O GLU A 86 1.265 -12.118 0.488 1.00 0.44 O ATOM 1346 CB GLU A 86 1.487 -9.813 2.805 1.00 0.41 C ATOM 1347 CG GLU A 86 0.291 -8.890 2.670 1.00 1.13 C ATOM 1348 CD GLU A 86 -0.537 -8.819 3.939 1.00 1.53 C ATOM 1349 OE1 GLU A 86 -0.210 -7.992 4.816 1.00 1.89 O ATOM 1350 OE2 GLU A 86 -1.516 -9.586 4.053 1.00 1.91 O ATOM 0 H GLU A 86 2.292 -8.033 1.315 1.00 0.38 H new ATOM 0 HA GLU A 86 3.048 -10.740 1.647 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.165 -10.748 3.264 1.00 0.41 H new ATOM 0 HB3 GLU A 86 2.213 -9.359 3.480 1.00 0.41 H new ATOM 0 HG2 GLU A 86 0.636 -7.890 2.409 1.00 1.13 H new ATOM 0 HG3 GLU A 86 -0.338 -9.234 1.849 1.00 1.13 H new ATOM 1357 N GLU A 87 0.338 -10.161 -0.116 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.636 -10.773 -1.008 1.00 0.15 C ATOM 1359 C GLU A 87 0.044 -11.445 -2.195 1.00 0.14 C ATOM 1360 O GLU A 87 -0.276 -12.580 -2.534 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.638 -9.728 -1.502 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.499 -9.137 -0.396 1.00 0.24 C ATOM 1363 CD GLU A 87 -3.308 -10.189 0.340 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -2.779 -10.778 1.306 1.00 1.83 O ATOM 1365 OE2 GLU A 87 -4.472 -10.423 -0.049 1.00 1.06 O ATOM 0 H GLU A 87 0.285 -9.143 -0.069 1.00 0.18 H new ATOM 0 HA GLU A 87 -1.168 -11.539 -0.443 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -1.096 -8.923 -1.998 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -2.286 -10.184 -2.251 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -1.861 -8.612 0.315 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.176 -8.397 -0.824 1.00 0.24 H new ATOM 1372 N ALA A 88 0.987 -10.742 -2.817 1.00 0.18 N ATOM 1373 CA ALA A 88 1.702 -11.274 -3.973 1.00 0.17 C ATOM 1374 C ALA A 88 2.249 -12.669 -3.700 1.00 0.17 C ATOM 1375 O ALA A 88 2.170 -13.551 -4.554 1.00 0.18 O ATOM 1376 CB ALA A 88 2.829 -10.340 -4.382 1.00 0.19 C ATOM 0 H ALA A 88 1.273 -9.803 -2.540 1.00 0.18 H new ATOM 0 HA ALA A 88 0.988 -11.348 -4.793 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.350 -10.754 -5.245 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.417 -9.364 -4.640 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.529 -10.231 -3.554 1.00 0.19 H new ATOM 1382 N ILE A 89 2.805 -12.866 -2.508 1.00 0.20 N ATOM 1383 CA ILE A 89 3.355 -14.162 -2.139 1.00 0.23 C ATOM 1384 C ILE A 89 2.264 -15.230 -2.188 1.00 0.24 C ATOM 1385 O ILE A 89 2.510 -16.367 -2.592 1.00 0.31 O ATOM 1386 CB ILE A 89 4.009 -14.121 -0.731 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.310 -14.930 -0.717 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.051 -14.627 0.343 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.130 -16.398 -1.047 1.00 1.52 C ATOM 0 H ILE A 89 2.885 -12.149 -1.787 1.00 0.20 H new ATOM 0 HA ILE A 89 4.133 -14.414 -2.859 1.00 0.23 H new ATOM 0 HB ILE A 89 4.244 -13.081 -0.504 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.006 -14.491 -1.432 1.00 0.74 H new ATOM 0 HG13 ILE A 89 5.768 -14.844 0.268 1.00 0.74 H new ATOM 0 HG21 ILE A 89 3.540 -14.585 1.316 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.158 -14.002 0.358 1.00 0.60 H new ATOM 0 HG23 ILE A 89 2.769 -15.657 0.123 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.097 -16.899 -1.016 1.00 1.52 H new ATOM 0 HD12 ILE A 89 4.461 -16.855 -0.318 1.00 1.52 H new ATOM 0 HD13 ILE A 89 4.702 -16.497 -2.045 1.00 1.52 H new ATOM 1401 N LYS A 90 1.059 -14.849 -1.774 1.00 0.24 N ATOM 1402 CA LYS A 90 -0.077 -15.764 -1.772 1.00 0.29 C ATOM 1403 C LYS A 90 -0.795 -15.756 -3.121 1.00 0.30 C ATOM 1404 O LYS A 90 -1.589 -16.649 -3.418 1.00 0.43 O ATOM 1405 CB LYS A 90 -1.060 -15.386 -0.664 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.456 -15.423 0.731 1.00 0.33 C ATOM 1407 CD LYS A 90 -0.028 -16.830 1.124 1.00 0.66 C ATOM 1408 CE LYS A 90 -1.222 -17.761 1.267 1.00 1.74 C ATOM 1409 NZ LYS A 90 -0.808 -19.143 1.638 1.00 2.42 N ATOM 0 H LYS A 90 0.844 -13.911 -1.435 1.00 0.24 H new ATOM 0 HA LYS A 90 0.305 -16.769 -1.590 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.443 -14.384 -0.857 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.912 -16.065 -0.699 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.405 -14.756 0.772 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -1.183 -15.049 1.452 1.00 0.33 H new ATOM 0 HD2 LYS A 90 0.655 -17.226 0.372 1.00 0.66 H new ATOM 0 HD3 LYS A 90 0.520 -16.794 2.065 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.899 -17.369 2.026 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -1.776 -17.788 0.329 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -1.651 -19.746 1.726 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 -0.182 -19.527 0.902 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 -0.302 -19.122 2.546 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.509 -14.741 -3.933 1.00 0.18 N ATOM 1424 CA PHE A 91 -1.138 -14.604 -5.241 1.00 0.19 C ATOM 1425 C PHE A 91 -0.167 -14.935 -6.370 1.00 0.20 C ATOM 1426 O PHE A 91 -0.424 -14.619 -7.532 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.704 -13.193 -5.407 1.00 0.21 C ATOM 1428 CG PHE A 91 -3.034 -13.012 -4.730 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -4.195 -13.493 -5.307 1.00 0.73 C ATOM 1430 CD2 PHE A 91 -3.118 -12.351 -3.513 1.00 0.83 C ATOM 1431 CE1 PHE A 91 -5.418 -13.320 -4.687 1.00 0.74 C ATOM 1432 CE2 PHE A 91 -4.336 -12.174 -2.889 1.00 0.90 C ATOM 1433 CZ PHE A 91 -5.495 -12.695 -3.479 1.00 0.43 C ATOM 0 H PHE A 91 0.156 -14.001 -3.706 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.957 -15.321 -5.298 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.994 -12.472 -5.001 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.810 -12.972 -6.469 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -4.145 -14.010 -6.254 1.00 0.73 H new ATOM 0 HD2 PHE A 91 -2.220 -11.971 -3.049 1.00 0.83 H new ATOM 0 HE1 PHE A 91 -6.317 -13.682 -5.163 1.00 0.74 H new ATOM 0 HE2 PHE A 91 -4.395 -11.638 -1.953 1.00 0.90 H new ATOM 0 HZ PHE A 91 -6.447 -12.601 -2.977 1.00 0.43 H new ATOM 1443 N SER A 92 0.942 -15.583 -6.017 1.00 0.20 N ATOM 1444 CA SER A 92 1.957 -15.974 -6.995 1.00 0.23 C ATOM 1445 C SER A 92 2.262 -14.837 -7.964 1.00 0.27 C ATOM 1446 O SER A 92 1.800 -14.841 -9.106 1.00 0.61 O ATOM 1447 CB SER A 92 1.501 -17.211 -7.769 1.00 0.24 C ATOM 1448 OG SER A 92 1.279 -18.306 -6.899 1.00 0.25 O ATOM 0 H SER A 92 1.161 -15.849 -5.057 1.00 0.20 H new ATOM 0 HA SER A 92 2.871 -16.209 -6.449 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.585 -16.985 -8.314 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.255 -17.478 -8.509 1.00 0.24 H new ATOM 0 HG SER A 92 0.987 -19.083 -7.419 1.00 0.25 H new ATOM 1454 N GLU A 93 3.043 -13.865 -7.504 1.00 0.20 N ATOM 1455 CA GLU A 93 3.404 -12.720 -8.329 1.00 0.18 C ATOM 1456 C GLU A 93 4.737 -12.124 -7.885 1.00 0.18 C ATOM 1457 O GLU A 93 4.780 -11.249 -7.019 1.00 0.19 O ATOM 1458 CB GLU A 93 2.305 -11.657 -8.270 1.00 0.19 C ATOM 1459 CG GLU A 93 1.201 -11.863 -9.295 1.00 0.27 C ATOM 1460 CD GLU A 93 1.688 -11.696 -10.722 1.00 0.74 C ATOM 1461 OE1 GLU A 93 2.229 -12.673 -11.281 1.00 0.96 O ATOM 1462 OE2 GLU A 93 1.530 -10.589 -11.277 1.00 1.46 O ATOM 0 H GLU A 93 3.438 -13.848 -6.564 1.00 0.20 H new ATOM 0 HA GLU A 93 3.510 -13.064 -9.358 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.867 -11.655 -7.272 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.753 -10.675 -8.423 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.780 -12.861 -9.174 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.397 -11.152 -9.104 1.00 0.27 H new ATOM 1469 N GLU A 94 5.823 -12.612 -8.477 1.00 0.21 N ATOM 1470 CA GLU A 94 7.160 -12.131 -8.145 1.00 0.24 C ATOM 1471 C GLU A 94 7.509 -10.882 -8.950 1.00 0.25 C ATOM 1472 O GLU A 94 8.077 -9.927 -8.416 1.00 0.31 O ATOM 1473 CB GLU A 94 8.198 -13.226 -8.397 1.00 0.28 C ATOM 1474 CG GLU A 94 8.157 -13.791 -9.808 1.00 0.33 C ATOM 1475 CD GLU A 94 9.209 -14.858 -10.037 1.00 0.92 C ATOM 1476 OE1 GLU A 94 8.916 -16.045 -9.782 1.00 1.53 O ATOM 1477 OE2 GLU A 94 10.326 -14.507 -10.474 1.00 1.46 O ATOM 0 H GLU A 94 5.803 -13.341 -9.190 1.00 0.21 H new ATOM 0 HA GLU A 94 7.170 -11.870 -7.087 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.192 -12.823 -8.205 1.00 0.28 H new ATOM 0 HB3 GLU A 94 8.039 -14.036 -7.685 1.00 0.28 H new ATOM 0 HG2 GLU A 94 7.170 -14.212 -9.999 1.00 0.33 H new ATOM 0 HG3 GLU A 94 8.303 -12.982 -10.524 1.00 0.33 H new ATOM 1484 N GLN A 95 7.168 -10.893 -10.236 1.00 0.25 N ATOM 1485 CA GLN A 95 7.446 -9.758 -11.109 1.00 0.28 C ATOM 1486 C GLN A 95 6.715 -8.511 -10.624 1.00 0.23 C ATOM 1487 O GLN A 95 7.252 -7.404 -10.670 1.00 0.20 O ATOM 1488 CB GLN A 95 7.039 -10.078 -12.551 1.00 0.33 C ATOM 1489 CG GLN A 95 5.569 -10.432 -12.709 1.00 0.73 C ATOM 1490 CD GLN A 95 5.169 -10.655 -14.156 1.00 0.78 C ATOM 1491 OE1 GLN A 95 6.103 -11.140 -14.965 1.00 1.54 O flip ATOM 1492 NE2 GLN A 95 4.029 -10.394 -14.541 1.00 1.03 N flip ATOM 0 H GLN A 95 6.700 -11.674 -10.695 1.00 0.25 H new ATOM 0 HA GLN A 95 8.518 -9.564 -11.081 1.00 0.28 H new ATOM 0 HB2 GLN A 95 7.266 -9.219 -13.182 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.644 -10.909 -12.914 1.00 0.33 H new ATOM 0 HG2 GLN A 95 5.353 -11.333 -12.134 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.960 -9.632 -12.288 1.00 0.73 H new ATOM 0 HE21 GLN A 95 3.342 -10.023 -13.885 1.00 1.03 H new ATOM 0 HE22 GLN A 95 3.772 -10.549 -15.516 1.00 1.03 H new ATOM 1501 N ARG A 96 5.487 -8.705 -10.154 1.00 0.25 N ATOM 1502 CA ARG A 96 4.673 -7.604 -9.651 1.00 0.22 C ATOM 1503 C ARG A 96 5.385 -6.874 -8.521 1.00 0.20 C ATOM 1504 O ARG A 96 5.178 -5.680 -8.309 1.00 0.26 O ATOM 1505 CB ARG A 96 3.324 -8.134 -9.157 1.00 0.25 C ATOM 1506 CG ARG A 96 2.123 -7.592 -9.918 1.00 0.95 C ATOM 1507 CD ARG A 96 1.729 -6.204 -9.444 1.00 0.63 C ATOM 1508 NE ARG A 96 2.759 -5.207 -9.722 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.515 -4.020 -10.271 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.282 -3.692 -10.638 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.506 -3.162 -10.462 1.00 2.99 N ATOM 0 H ARG A 96 5.033 -9.617 -10.111 1.00 0.25 H new ATOM 0 HA ARG A 96 4.509 -6.900 -10.467 1.00 0.22 H new ATOM 0 HB2 ARG A 96 3.325 -9.222 -9.230 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.213 -7.885 -8.102 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.353 -7.560 -10.983 1.00 0.95 H new ATOM 0 HG3 ARG A 96 1.279 -8.271 -9.794 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.800 -5.907 -9.930 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.533 -6.231 -8.372 1.00 0.63 H new ATOM 0 HE ARG A 96 3.724 -5.434 -9.481 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.516 -4.351 -10.499 1.00 2.57 H new ATOM 0 HH12 ARG A 96 1.100 -2.781 -11.058 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.456 -3.411 -10.188 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.319 -2.252 -10.883 1.00 2.99 H new ATOM 1525 N PHE A 97 6.234 -7.596 -7.801 1.00 0.27 N ATOM 1526 CA PHE A 97 6.963 -7.011 -6.687 1.00 0.31 C ATOM 1527 C PHE A 97 8.040 -6.059 -7.178 1.00 0.25 C ATOM 1528 O PHE A 97 8.043 -4.883 -6.820 1.00 0.22 O ATOM 1529 CB PHE A 97 7.576 -8.106 -5.813 1.00 0.45 C ATOM 1530 CG PHE A 97 7.783 -7.695 -4.383 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.830 -6.858 -4.030 1.00 1.29 C ATOM 1532 CD2 PHE A 97 6.929 -8.147 -3.390 1.00 0.94 C ATOM 1533 CE1 PHE A 97 9.020 -6.479 -2.714 1.00 1.39 C ATOM 1534 CE2 PHE A 97 7.114 -7.773 -2.073 1.00 0.92 C ATOM 1535 CZ PHE A 97 8.161 -6.938 -1.735 1.00 0.67 C ATOM 0 H PHE A 97 6.433 -8.582 -7.968 1.00 0.27 H new ATOM 0 HA PHE A 97 6.256 -6.440 -6.085 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.930 -8.983 -5.839 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.535 -8.403 -6.238 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.505 -6.498 -4.792 1.00 1.29 H new ATOM 0 HD2 PHE A 97 6.108 -8.800 -3.649 1.00 0.94 H new ATOM 0 HE1 PHE A 97 9.839 -5.825 -2.452 1.00 1.39 H new ATOM 0 HE2 PHE A 97 6.441 -8.133 -1.309 1.00 0.92 H new ATOM 0 HZ PHE A 97 8.308 -6.644 -0.706 1.00 0.67 H new ATOM 1545 N ASN A 98 8.954 -6.567 -7.991 1.00 0.28 N ATOM 1546 CA ASN A 98 10.019 -5.735 -8.525 1.00 0.26 C ATOM 1547 C ASN A 98 9.443 -4.665 -9.438 1.00 0.21 C ATOM 1548 O ASN A 98 10.089 -3.659 -9.715 1.00 0.21 O ATOM 1549 CB ASN A 98 11.047 -6.582 -9.277 1.00 0.34 C ATOM 1550 CG ASN A 98 10.413 -7.468 -10.330 1.00 0.43 C ATOM 1551 OD1 ASN A 98 10.107 -8.631 -10.072 1.00 1.03 O ATOM 1552 ND2 ASN A 98 10.210 -6.920 -11.522 1.00 1.22 N ATOM 0 H ASN A 98 8.980 -7.541 -8.292 1.00 0.28 H new ATOM 0 HA ASN A 98 10.525 -5.249 -7.691 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.776 -5.925 -9.751 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.592 -7.202 -8.565 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.784 -7.468 -12.269 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.480 -5.951 -11.690 1.00 1.22 H new ATOM 1559 N ASN A 99 8.217 -4.885 -9.906 1.00 0.18 N ATOM 1560 CA ASN A 99 7.571 -3.924 -10.785 1.00 0.20 C ATOM 1561 C ASN A 99 7.059 -2.726 -9.995 1.00 0.19 C ATOM 1562 O ASN A 99 7.394 -1.591 -10.316 1.00 0.24 O ATOM 1563 CB ASN A 99 6.428 -4.577 -11.562 1.00 0.22 C ATOM 1564 CG ASN A 99 5.971 -3.734 -12.736 1.00 0.63 C ATOM 1565 OD1 ASN A 99 5.094 -2.882 -12.602 1.00 1.41 O ATOM 1566 ND2 ASN A 99 6.570 -3.967 -13.900 1.00 1.14 N ATOM 0 H ASN A 99 7.659 -5.712 -9.692 1.00 0.18 H new ATOM 0 HA ASN A 99 8.315 -3.573 -11.500 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.749 -5.554 -11.923 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.586 -4.747 -10.891 1.00 0.22 H new ATOM 0 HD21 ASN A 99 6.307 -3.429 -14.726 1.00 1.14 H new ATOM 0 HD22 ASN A 99 7.293 -4.683 -13.967 1.00 1.14 H new ATOM 1573 N PHE A 100 6.256 -2.971 -8.961 1.00 0.18 N ATOM 1574 CA PHE A 100 5.733 -1.877 -8.148 1.00 0.23 C ATOM 1575 C PHE A 100 6.890 -1.211 -7.421 1.00 0.18 C ATOM 1576 O PHE A 100 6.932 0.001 -7.278 1.00 0.21 O ATOM 1577 CB PHE A 100 4.652 -2.411 -7.178 1.00 0.38 C ATOM 1578 CG PHE A 100 4.116 -1.461 -6.119 1.00 1.36 C ATOM 1579 CD1 PHE A 100 4.534 -0.140 -6.128 1.00 2.09 C ATOM 1580 CD2 PHE A 100 3.216 -1.851 -5.138 1.00 1.99 C ATOM 1581 CE1 PHE A 100 4.070 0.765 -5.194 1.00 3.08 C ATOM 1582 CE2 PHE A 100 2.748 -0.949 -4.200 1.00 2.95 C ATOM 1583 CZ PHE A 100 3.090 0.205 -4.133 1.00 3.43 C ATOM 0 H PHE A 100 5.958 -3.902 -8.670 1.00 0.18 H new ATOM 0 HA PHE A 100 5.252 -1.126 -8.775 1.00 0.23 H new ATOM 0 HB2 PHE A 100 3.808 -2.757 -7.775 1.00 0.38 H new ATOM 0 HB3 PHE A 100 5.061 -3.283 -6.669 1.00 0.38 H new ATOM 0 HD1 PHE A 100 5.236 0.188 -6.880 1.00 2.09 H new ATOM 0 HD2 PHE A 100 2.875 -2.875 -5.106 1.00 1.99 H new ATOM 0 HE1 PHE A 100 4.372 1.802 -5.203 1.00 3.08 H new ATOM 0 HE2 PHE A 100 2.027 -1.303 -3.478 1.00 2.95 H new ATOM 0 HZ PHE A 100 2.718 0.841 -3.343 1.00 3.43 H new ATOM 1593 N LEU A 101 7.867 -2.000 -7.029 1.00 0.18 N ATOM 1594 CA LEU A 101 9.008 -1.464 -6.312 1.00 0.21 C ATOM 1595 C LEU A 101 9.866 -0.573 -7.196 1.00 0.20 C ATOM 1596 O LEU A 101 10.157 0.572 -6.835 1.00 0.21 O ATOM 1597 CB LEU A 101 9.848 -2.605 -5.741 1.00 0.28 C ATOM 1598 CG LEU A 101 10.876 -2.228 -4.666 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.637 -0.821 -4.117 1.00 0.92 C ATOM 1600 CD2 LEU A 101 10.816 -3.255 -3.546 1.00 0.92 C ATOM 0 H LEU A 101 7.897 -3.006 -7.192 1.00 0.18 H new ATOM 0 HA LEU A 101 8.628 -0.848 -5.497 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.172 -3.349 -5.320 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.376 -3.085 -6.565 1.00 0.28 H new ATOM 0 HG LEU A 101 11.868 -2.227 -5.118 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.387 -0.594 -3.359 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.710 -0.097 -4.928 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.643 -0.768 -3.672 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.543 -2.997 -2.776 1.00 0.92 H new ATOM 0 HD22 LEU A 101 9.816 -3.263 -3.113 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.046 -4.243 -3.945 1.00 0.92 H new ATOM 1612 N LYS A 102 10.260 -1.069 -8.359 1.00 0.20 N ATOM 1613 CA LYS A 102 11.105 -0.276 -9.225 1.00 0.23 C ATOM 1614 C LYS A 102 10.309 0.835 -9.897 1.00 0.22 C ATOM 1615 O LYS A 102 10.871 1.856 -10.299 1.00 0.26 O ATOM 1616 CB LYS A 102 11.802 -1.154 -10.269 1.00 0.27 C ATOM 1617 CG LYS A 102 12.712 -2.227 -9.671 1.00 0.28 C ATOM 1618 CD LYS A 102 13.612 -1.681 -8.567 1.00 0.33 C ATOM 1619 CE LYS A 102 14.497 -0.544 -9.058 1.00 1.44 C ATOM 1620 NZ LYS A 102 15.393 -0.973 -10.166 1.00 2.40 N ATOM 0 H LYS A 102 10.014 -1.993 -8.715 1.00 0.20 H new ATOM 0 HA LYS A 102 11.874 0.186 -8.606 1.00 0.23 H new ATOM 0 HB2 LYS A 102 11.045 -1.637 -10.886 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.392 -0.518 -10.928 1.00 0.27 H new ATOM 0 HG2 LYS A 102 12.100 -3.035 -9.270 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.330 -2.656 -10.460 1.00 0.28 H new ATOM 0 HD2 LYS A 102 12.996 -1.329 -7.739 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.238 -2.485 -8.179 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.871 0.282 -9.397 1.00 1.44 H new ATOM 0 HE3 LYS A 102 15.099 -0.169 -8.230 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 16.070 -0.213 -10.379 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.911 -1.829 -9.882 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 14.825 -1.178 -11.013 1.00 2.40 H new ATOM 1634 N ALA A 103 8.995 0.645 -10.003 1.00 0.19 N ATOM 1635 CA ALA A 103 8.138 1.649 -10.620 1.00 0.21 C ATOM 1636 C ALA A 103 7.791 2.738 -9.621 1.00 0.18 C ATOM 1637 O ALA A 103 7.761 3.923 -9.965 1.00 0.20 O ATOM 1638 CB ALA A 103 6.875 1.020 -11.185 1.00 0.24 C ATOM 0 H ALA A 103 8.507 -0.187 -9.672 1.00 0.19 H new ATOM 0 HA ALA A 103 8.687 2.098 -11.447 1.00 0.21 H new ATOM 0 HB1 ALA A 103 6.255 1.793 -11.639 1.00 0.24 H new ATOM 0 HB2 ALA A 103 7.143 0.280 -11.939 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.320 0.535 -10.382 1.00 0.24 H new ATOM 1644 N LEU A 104 7.537 2.346 -8.377 1.00 0.16 N ATOM 1645 CA LEU A 104 7.211 3.323 -7.361 1.00 0.16 C ATOM 1646 C LEU A 104 8.438 4.185 -7.121 1.00 0.16 C ATOM 1647 O LEU A 104 8.343 5.406 -7.029 1.00 0.16 O ATOM 1648 CB LEU A 104 6.747 2.655 -6.053 1.00 0.19 C ATOM 1649 CG LEU A 104 7.835 1.950 -5.229 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.567 2.933 -4.334 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.234 0.835 -4.387 1.00 0.24 C ATOM 0 H LEU A 104 7.551 1.377 -8.058 1.00 0.16 H new ATOM 0 HA LEU A 104 6.380 3.938 -7.707 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.281 3.416 -5.426 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.974 1.925 -6.296 1.00 0.19 H new ATOM 0 HG LEU A 104 8.551 1.519 -5.929 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.331 2.406 -3.763 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.038 3.702 -4.947 1.00 0.23 H new ATOM 0 HD13 LEU A 104 7.858 3.398 -3.649 1.00 0.23 H new ATOM 0 HD21 LEU A 104 8.022 0.349 -3.811 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.492 1.253 -3.706 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.757 0.103 -5.039 1.00 0.24 H new ATOM 1663 N GLN A 105 9.602 3.530 -7.046 1.00 0.18 N ATOM 1664 CA GLN A 105 10.857 4.231 -6.825 1.00 0.22 C ATOM 1665 C GLN A 105 11.183 5.153 -7.989 1.00 0.24 C ATOM 1666 O GLN A 105 11.416 6.347 -7.789 1.00 0.26 O ATOM 1667 CB GLN A 105 11.987 3.234 -6.560 1.00 0.27 C ATOM 1668 CG GLN A 105 13.358 3.663 -7.073 1.00 0.35 C ATOM 1669 CD GLN A 105 13.968 4.792 -6.271 1.00 1.13 C ATOM 1670 OE1 GLN A 105 13.260 5.612 -5.692 1.00 1.76 O ATOM 1671 NE2 GLN A 105 15.295 4.844 -6.234 1.00 1.92 N ATOM 0 H GLN A 105 9.694 2.518 -7.136 1.00 0.18 H new ATOM 0 HA GLN A 105 10.750 4.858 -5.940 1.00 0.22 H new ATOM 0 HB2 GLN A 105 12.055 3.062 -5.486 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.726 2.281 -7.020 1.00 0.27 H new ATOM 0 HG2 GLN A 105 14.031 2.806 -7.052 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.269 3.973 -8.114 1.00 0.35 H new ATOM 0 HE21 GLN A 105 15.847 4.143 -6.729 1.00 1.92 H new ATOM 0 HE22 GLN A 105 15.762 5.585 -5.711 1.00 1.92 H new ATOM 1680 N GLU A 106 11.204 4.611 -9.204 1.00 0.25 N ATOM 1681 CA GLU A 106 11.482 5.442 -10.361 1.00 0.29 C ATOM 1682 C GLU A 106 10.562 6.650 -10.315 1.00 0.29 C ATOM 1683 O GLU A 106 10.956 7.769 -10.641 1.00 0.35 O ATOM 1684 CB GLU A 106 11.295 4.665 -11.670 1.00 0.31 C ATOM 1685 CG GLU A 106 9.844 4.401 -12.035 1.00 0.29 C ATOM 1686 CD GLU A 106 9.694 3.734 -13.388 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.768 2.488 -13.447 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.500 4.457 -14.388 1.00 0.41 O ATOM 0 H GLU A 106 11.036 3.625 -9.406 1.00 0.25 H new ATOM 0 HA GLU A 106 12.523 5.764 -10.331 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.766 5.221 -12.480 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.818 3.712 -11.592 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.390 3.770 -11.271 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.296 5.344 -12.036 1.00 0.29 H new ATOM 1695 N LYS A 107 9.332 6.417 -9.859 1.00 0.23 N ATOM 1696 CA LYS A 107 8.350 7.477 -9.746 1.00 0.23 C ATOM 1697 C LYS A 107 8.778 8.513 -8.702 1.00 0.24 C ATOM 1698 O LYS A 107 8.607 9.714 -8.915 1.00 0.30 O ATOM 1699 CB LYS A 107 6.994 6.880 -9.376 1.00 0.22 C ATOM 1700 CG LYS A 107 5.887 7.906 -9.205 1.00 0.62 C ATOM 1701 CD LYS A 107 5.150 7.729 -7.883 1.00 1.05 C ATOM 1702 CE LYS A 107 4.718 6.286 -7.659 1.00 1.11 C ATOM 1703 NZ LYS A 107 4.200 5.659 -8.906 1.00 2.14 N ATOM 0 H LYS A 107 8.998 5.500 -9.563 1.00 0.23 H new ATOM 0 HA LYS A 107 8.272 7.984 -10.708 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.699 6.170 -10.149 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.098 6.317 -8.449 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.311 8.909 -9.253 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.180 7.819 -10.030 1.00 0.62 H new ATOM 0 HD2 LYS A 107 5.795 8.046 -7.063 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.273 8.376 -7.867 1.00 1.05 H new ATOM 0 HE2 LYS A 107 5.564 5.708 -7.287 1.00 1.11 H new ATOM 0 HE3 LYS A 107 3.947 6.254 -6.890 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 3.439 4.991 -8.669 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 3.829 6.397 -9.537 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 4.970 5.150 -9.384 1.00 2.14 H new ATOM 1717 N VAL A 108 9.329 8.051 -7.574 1.00 0.22 N ATOM 1718 CA VAL A 108 9.770 8.972 -6.524 1.00 0.26 C ATOM 1719 C VAL A 108 10.871 9.893 -7.046 1.00 0.33 C ATOM 1720 O VAL A 108 10.923 11.070 -6.691 1.00 0.40 O ATOM 1721 CB VAL A 108 10.266 8.247 -5.242 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.487 6.975 -4.986 1.00 0.22 C ATOM 1723 CG2 VAL A 108 11.760 7.966 -5.296 1.00 0.28 C ATOM 0 H VAL A 108 9.478 7.063 -7.368 1.00 0.22 H new ATOM 0 HA VAL A 108 8.893 9.556 -6.247 1.00 0.26 H new ATOM 0 HB VAL A 108 10.087 8.923 -4.406 1.00 0.26 H new ATOM 0 HG11 VAL A 108 9.861 6.495 -4.082 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.431 7.214 -4.859 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.607 6.298 -5.832 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.068 7.458 -4.382 1.00 0.28 H new ATOM 0 HG22 VAL A 108 11.980 7.332 -6.155 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.304 8.906 -5.390 1.00 0.28 H new ATOM 1733 N GLU A 109 11.752 9.352 -7.891 1.00 0.38 N ATOM 1734 CA GLU A 109 12.838 10.152 -8.457 1.00 0.48 C ATOM 1735 C GLU A 109 12.276 11.188 -9.420 1.00 0.45 C ATOM 1736 O GLU A 109 12.633 12.366 -9.367 1.00 0.45 O ATOM 1737 CB GLU A 109 13.862 9.278 -9.191 1.00 0.62 C ATOM 1738 CG GLU A 109 13.700 7.788 -8.947 1.00 1.29 C ATOM 1739 CD GLU A 109 14.850 6.976 -9.510 1.00 1.62 C ATOM 1740 OE1 GLU A 109 15.853 6.791 -8.789 1.00 1.75 O ATOM 1741 OE2 GLU A 109 14.747 6.524 -10.669 1.00 2.41 O ATOM 0 H GLU A 109 11.735 8.378 -8.194 1.00 0.38 H new ATOM 0 HA GLU A 109 13.345 10.650 -7.630 1.00 0.48 H new ATOM 0 HB2 GLU A 109 13.785 9.470 -10.261 1.00 0.62 H new ATOM 0 HB3 GLU A 109 14.864 9.578 -8.885 1.00 0.62 H new ATOM 0 HG2 GLU A 109 13.622 7.606 -7.875 1.00 1.29 H new ATOM 0 HG3 GLU A 109 12.767 7.449 -9.397 1.00 1.29 H new ATOM 1748 N ILE A 110 11.392 10.733 -10.302 1.00 0.44 N ATOM 1749 CA ILE A 110 10.765 11.607 -11.284 1.00 0.42 C ATOM 1750 C ILE A 110 9.979 12.727 -10.605 1.00 0.39 C ATOM 1751 O ILE A 110 9.878 13.835 -11.134 1.00 0.45 O ATOM 1752 CB ILE A 110 9.822 10.804 -12.212 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.600 10.200 -13.383 1.00 0.51 C ATOM 1754 CG2 ILE A 110 8.681 11.671 -12.732 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.662 9.205 -12.976 1.00 0.55 C ATOM 0 H ILE A 110 11.093 9.759 -10.356 1.00 0.44 H new ATOM 0 HA ILE A 110 11.562 12.050 -11.881 1.00 0.42 H new ATOM 0 HB ILE A 110 9.391 9.996 -11.621 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.897 9.709 -14.056 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.070 11.006 -13.946 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.038 11.076 -13.380 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.099 12.049 -11.891 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.089 12.509 -13.296 1.00 0.42 H new ATOM 0 HD11 ILE A 110 12.165 8.826 -13.865 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.390 9.694 -12.328 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.198 8.377 -12.440 1.00 0.55 H new ATOM 1767 N LYS A 111 9.437 12.437 -9.426 1.00 0.36 N ATOM 1768 CA LYS A 111 8.643 13.415 -8.696 1.00 0.37 C ATOM 1769 C LYS A 111 9.360 13.952 -7.457 1.00 0.40 C ATOM 1770 O LYS A 111 10.572 13.800 -7.301 1.00 0.48 O ATOM 1771 CB LYS A 111 7.301 12.801 -8.300 1.00 0.39 C ATOM 1772 CG LYS A 111 6.211 12.993 -9.341 1.00 0.51 C ATOM 1773 CD LYS A 111 4.825 12.883 -8.724 1.00 0.65 C ATOM 1774 CE LYS A 111 4.536 11.469 -8.243 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.153 11.337 -7.706 1.00 1.28 N ATOM 0 H LYS A 111 9.534 11.536 -8.959 1.00 0.36 H new ATOM 0 HA LYS A 111 8.483 14.262 -9.363 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.438 11.734 -8.122 1.00 0.39 H new ATOM 0 HB3 LYS A 111 6.974 13.242 -7.358 1.00 0.39 H new ATOM 0 HG2 LYS A 111 6.324 13.969 -9.812 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.321 12.245 -10.127 1.00 0.51 H new ATOM 0 HD2 LYS A 111 4.743 13.576 -7.887 1.00 0.65 H new ATOM 0 HD3 LYS A 111 4.075 13.179 -9.458 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.674 10.770 -9.068 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.253 11.195 -7.470 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 2.996 10.359 -7.389 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.029 11.986 -6.903 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 2.467 11.574 -8.451 1.00 1.28 H new ATOM 1789 N GLN A 112 8.577 14.586 -6.586 1.00 0.43 N ATOM 1790 CA GLN A 112 9.079 15.192 -5.351 1.00 0.56 C ATOM 1791 C GLN A 112 8.795 14.332 -4.146 1.00 0.65 C ATOM 1792 O GLN A 112 8.259 14.812 -3.147 1.00 1.51 O ATOM 1793 CB GLN A 112 8.378 16.521 -5.144 1.00 0.66 C ATOM 1794 CG GLN A 112 9.008 17.682 -5.897 1.00 0.69 C ATOM 1795 CD GLN A 112 10.397 18.019 -5.393 1.00 1.29 C ATOM 1796 OE1 GLN A 112 10.560 18.844 -4.493 1.00 2.15 O ATOM 1797 NE2 GLN A 112 11.408 17.379 -5.970 1.00 2.03 N ATOM 0 H GLN A 112 7.571 14.695 -6.716 1.00 0.43 H new ATOM 0 HA GLN A 112 10.158 15.309 -5.451 1.00 0.56 H new ATOM 0 HB2 GLN A 112 7.338 16.423 -5.455 1.00 0.66 H new ATOM 0 HB3 GLN A 112 8.372 16.754 -4.079 1.00 0.66 H new ATOM 0 HG2 GLN A 112 9.060 17.437 -6.958 1.00 0.69 H new ATOM 0 HG3 GLN A 112 8.369 18.560 -5.804 1.00 0.69 H new ATOM 0 HE21 GLN A 112 11.227 16.703 -6.712 1.00 2.03 H new ATOM 0 HE22 GLN A 112 12.366 17.563 -5.671 1.00 2.03 H new ATOM 1806 N LEU A 113 9.160 13.076 -4.218 1.00 0.37 N ATOM 1807 CA LEU A 113 8.870 12.183 -3.126 1.00 0.29 C ATOM 1808 C LEU A 113 10.086 11.382 -2.704 1.00 0.30 C ATOM 1809 O LEU A 113 10.075 10.152 -2.716 1.00 0.44 O ATOM 1810 CB LEU A 113 7.713 11.284 -3.532 1.00 0.24 C ATOM 1811 CG LEU A 113 6.383 12.016 -3.750 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.976 12.769 -2.497 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.425 12.943 -4.956 1.00 0.36 C ATOM 0 H LEU A 113 9.650 12.655 -5.007 1.00 0.37 H new ATOM 0 HA LEU A 113 8.586 12.768 -2.251 1.00 0.29 H new ATOM 0 HB2 LEU A 113 7.980 10.762 -4.451 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.573 10.524 -2.763 1.00 0.24 H new ATOM 0 HG LEU A 113 5.628 11.259 -3.961 1.00 0.21 H new ATOM 0 HD11 LEU A 113 5.030 13.282 -2.672 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.861 12.066 -1.672 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.744 13.500 -2.246 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.460 13.438 -5.068 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.203 13.693 -4.812 1.00 0.36 H new ATOM 0 HD23 LEU A 113 6.642 12.363 -5.853 1.00 0.36 H new ATOM 1825 N ASN A 114 11.135 12.098 -2.320 1.00 0.19 N ATOM 1826 CA ASN A 114 12.358 11.461 -1.872 1.00 0.18 C ATOM 1827 C ASN A 114 12.189 10.965 -0.442 1.00 0.16 C ATOM 1828 O ASN A 114 12.634 9.872 -0.102 1.00 0.18 O ATOM 1829 CB ASN A 114 13.538 12.430 -1.964 1.00 0.20 C ATOM 1830 CG ASN A 114 13.751 12.952 -3.372 1.00 0.27 C ATOM 1831 OD1 ASN A 114 13.455 12.268 -4.351 1.00 1.10 O ATOM 1832 ND2 ASN A 114 14.270 14.171 -3.480 1.00 1.22 N ATOM 0 H ASN A 114 11.160 13.118 -2.311 1.00 0.19 H new ATOM 0 HA ASN A 114 12.566 10.610 -2.521 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.368 13.270 -1.290 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.444 11.928 -1.625 1.00 0.20 H new ATOM 0 HD21 ASN A 114 14.438 14.574 -4.402 1.00 1.22 H new ATOM 0 HD22 ASN A 114 14.501 14.703 -2.641 1.00 1.22 H new ATOM 1839 N HIS A 115 11.538 11.784 0.392 1.00 0.16 N ATOM 1840 CA HIS A 115 11.287 11.420 1.787 1.00 0.14 C ATOM 1841 C HIS A 115 10.686 10.026 1.851 1.00 0.13 C ATOM 1842 O HIS A 115 11.065 9.202 2.688 1.00 0.12 O ATOM 1843 CB HIS A 115 10.341 12.425 2.438 1.00 0.15 C ATOM 1844 CG HIS A 115 10.878 13.821 2.473 1.00 0.28 C ATOM 1845 ND1 HIS A 115 11.567 14.334 3.552 1.00 1.33 N ATOM 1846 CD2 HIS A 115 10.828 14.814 1.554 1.00 0.92 C ATOM 1847 CE1 HIS A 115 11.916 15.583 3.297 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.479 15.898 2.090 1.00 0.51 N ATOM 0 H HIS A 115 11.177 12.700 0.124 1.00 0.16 H new ATOM 0 HA HIS A 115 12.232 11.431 2.330 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.395 12.423 1.897 1.00 0.15 H new ATOM 0 HB3 HIS A 115 10.127 12.102 3.457 1.00 0.15 H new ATOM 0 HD2 HIS A 115 10.363 14.763 0.581 1.00 0.92 H new ATOM 0 HE1 HIS A 115 12.464 16.235 3.961 1.00 1.14 H new ATOM 0 HE2 HIS A 115 11.605 16.800 1.631 1.00 0.51 H new ATOM 1857 N PHE A 116 9.731 9.776 0.967 1.00 0.13 N ATOM 1858 CA PHE A 116 9.102 8.473 0.884 1.00 0.13 C ATOM 1859 C PHE A 116 10.197 7.426 0.734 1.00 0.12 C ATOM 1860 O PHE A 116 10.328 6.510 1.550 1.00 0.16 O ATOM 1861 CB PHE A 116 8.135 8.438 -0.305 1.00 0.15 C ATOM 1862 CG PHE A 116 7.700 7.057 -0.713 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.403 6.089 0.237 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.589 6.727 -2.053 1.00 0.73 C ATOM 1865 CE1 PHE A 116 7.008 4.824 -0.145 1.00 0.77 C ATOM 1866 CE2 PHE A 116 7.193 5.463 -2.439 1.00 0.72 C ATOM 1867 CZ PHE A 116 6.902 4.510 -1.485 1.00 0.21 C ATOM 0 H PHE A 116 9.377 10.461 0.299 1.00 0.13 H new ATOM 0 HA PHE A 116 8.525 8.265 1.785 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.251 9.025 -0.056 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.610 8.923 -1.158 1.00 0.15 H new ATOM 0 HD1 PHE A 116 7.482 6.329 1.287 1.00 0.73 H new ATOM 0 HD2 PHE A 116 7.815 7.468 -2.805 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.782 4.079 0.604 1.00 0.77 H new ATOM 0 HE2 PHE A 116 7.111 5.220 -3.488 1.00 0.72 H new ATOM 0 HZ PHE A 116 6.592 3.520 -1.786 1.00 0.21 H new ATOM 1877 N TRP A 117 11.006 7.596 -0.306 1.00 0.14 N ATOM 1878 CA TRP A 117 12.116 6.698 -0.567 1.00 0.15 C ATOM 1879 C TRP A 117 12.949 6.520 0.699 1.00 0.15 C ATOM 1880 O TRP A 117 13.411 5.420 0.997 1.00 0.19 O ATOM 1881 CB TRP A 117 12.975 7.250 -1.711 1.00 0.19 C ATOM 1882 CG TRP A 117 14.273 6.527 -1.916 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.520 6.980 -1.594 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.455 5.234 -2.502 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.467 6.050 -1.946 1.00 0.60 N ATOM 1886 CE2 TRP A 117 15.838 4.967 -2.504 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.584 4.272 -3.025 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.369 3.784 -3.009 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.114 3.097 -3.526 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.494 2.862 -3.515 1.00 0.92 C ATOM 0 H TRP A 117 10.910 8.353 -0.983 1.00 0.14 H new ATOM 0 HA TRP A 117 11.730 5.723 -0.865 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.399 7.206 -2.635 1.00 0.19 H new ATOM 0 HB3 TRP A 117 13.186 8.302 -1.516 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.731 7.932 -1.130 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.474 6.149 -1.814 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.518 4.444 -3.037 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.433 3.600 -3.002 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.452 2.347 -3.933 1.00 0.88 H new ATOM 0 HH2 TRP A 117 15.876 1.934 -3.914 1.00 0.92 H new ATOM 1901 N GLU A 118 13.098 7.608 1.460 1.00 0.14 N ATOM 1902 CA GLU A 118 13.874 7.581 2.697 1.00 0.15 C ATOM 1903 C GLU A 118 13.316 6.558 3.682 1.00 0.14 C ATOM 1904 O GLU A 118 14.041 5.667 4.131 1.00 0.17 O ATOM 1905 CB GLU A 118 13.908 8.963 3.356 1.00 0.17 C ATOM 1906 CG GLU A 118 14.435 10.067 2.453 1.00 0.20 C ATOM 1907 CD GLU A 118 15.801 9.751 1.876 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.812 10.039 2.552 1.00 0.64 O ATOM 1909 OE2 GLU A 118 15.860 9.218 0.748 1.00 0.86 O ATOM 0 H GLU A 118 12.691 8.517 1.239 1.00 0.14 H new ATOM 0 HA GLU A 118 14.890 7.290 2.431 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.901 9.224 3.681 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.529 8.912 4.251 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.730 10.231 1.638 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.491 10.997 3.018 1.00 0.20 H new ATOM 1916 N ILE A 119 12.029 6.675 4.024 1.00 0.11 N ATOM 1917 CA ILE A 119 11.434 5.735 4.970 1.00 0.13 C ATOM 1918 C ILE A 119 11.541 4.311 4.452 1.00 0.14 C ATOM 1919 O ILE A 119 11.686 3.376 5.239 1.00 0.19 O ATOM 1920 CB ILE A 119 9.963 6.054 5.318 1.00 0.15 C ATOM 1921 CG1 ILE A 119 9.046 5.817 4.116 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.843 7.481 5.825 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.612 6.244 4.347 1.00 0.14 C ATOM 0 H ILE A 119 11.396 7.392 3.669 1.00 0.11 H new ATOM 0 HA ILE A 119 12.006 5.840 5.892 1.00 0.13 H new ATOM 0 HB ILE A 119 9.642 5.378 6.110 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.442 6.358 3.257 1.00 0.10 H new ATOM 0 HG13 ILE A 119 9.063 4.757 3.861 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.802 7.695 6.067 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.456 7.602 6.718 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.185 8.171 5.054 1.00 0.22 H new ATOM 0 HD11 ILE A 119 7.024 6.045 3.451 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.196 5.685 5.185 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.581 7.310 4.571 1.00 0.14 H new ATOM 1935 N VAL A 120 11.473 4.132 3.132 1.00 0.13 N ATOM 1936 CA VAL A 120 11.600 2.787 2.582 1.00 0.20 C ATOM 1937 C VAL A 120 13.006 2.241 2.865 1.00 0.21 C ATOM 1938 O VAL A 120 13.155 1.071 3.205 1.00 0.25 O ATOM 1939 CB VAL A 120 11.267 2.697 1.071 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.549 3.938 0.584 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.509 2.436 0.246 1.00 0.76 C ATOM 0 H VAL A 120 11.336 4.875 2.446 1.00 0.13 H new ATOM 0 HA VAL A 120 10.854 2.170 3.084 1.00 0.20 H new ATOM 0 HB VAL A 120 10.593 1.850 0.941 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.332 3.839 -0.480 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.616 4.059 1.135 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.181 4.811 0.745 1.00 0.82 H new ATOM 0 HG21 VAL A 120 12.240 2.379 -0.809 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.222 3.247 0.395 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.961 1.494 0.557 1.00 0.76 H new ATOM 1951 N VAL A 121 14.041 3.087 2.727 1.00 0.20 N ATOM 1952 CA VAL A 121 15.409 2.642 3.021 1.00 0.24 C ATOM 1953 C VAL A 121 15.502 2.282 4.497 1.00 0.26 C ATOM 1954 O VAL A 121 16.199 1.344 4.886 1.00 0.31 O ATOM 1955 CB VAL A 121 16.494 3.704 2.682 1.00 0.25 C ATOM 1956 CG1 VAL A 121 16.000 4.698 1.651 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.984 4.424 3.927 1.00 0.26 C ATOM 0 H VAL A 121 13.959 4.057 2.422 1.00 0.20 H new ATOM 0 HA VAL A 121 15.608 1.779 2.386 1.00 0.24 H new ATOM 0 HB VAL A 121 17.338 3.165 2.252 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.785 5.424 1.440 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.737 4.171 0.734 1.00 0.24 H new ATOM 0 HG13 VAL A 121 15.122 5.216 2.036 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.741 5.158 3.649 1.00 0.26 H new ATOM 0 HG22 VAL A 121 16.147 4.930 4.408 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.416 3.701 4.619 1.00 0.26 H new ATOM 1967 N GLN A 122 14.779 3.049 5.307 1.00 0.25 N ATOM 1968 CA GLN A 122 14.738 2.841 6.744 1.00 0.30 C ATOM 1969 C GLN A 122 13.910 1.605 7.074 1.00 0.35 C ATOM 1970 O GLN A 122 14.085 0.982 8.120 1.00 0.44 O ATOM 1971 CB GLN A 122 14.143 4.081 7.420 1.00 0.29 C ATOM 1972 CG GLN A 122 13.889 3.925 8.909 1.00 0.44 C ATOM 1973 CD GLN A 122 12.569 3.243 9.221 1.00 1.27 C ATOM 1974 OE1 GLN A 122 11.575 3.457 8.368 1.00 1.92 O flip ATOM 1975 NE2 GLN A 122 12.445 2.537 10.222 1.00 2.12 N flip ATOM 0 H GLN A 122 14.208 3.829 4.983 1.00 0.25 H new ATOM 0 HA GLN A 122 15.750 2.683 7.116 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.818 4.923 7.266 1.00 0.29 H new ATOM 0 HB3 GLN A 122 13.203 4.332 6.928 1.00 0.29 H new ATOM 0 HG2 GLN A 122 14.702 3.349 9.352 1.00 0.44 H new ATOM 0 HG3 GLN A 122 13.903 4.909 9.379 1.00 0.44 H new ATOM 0 HE21 GLN A 122 13.236 2.400 10.851 1.00 2.12 H new ATOM 0 HE22 GLN A 122 11.551 2.089 10.423 1.00 2.12 H new ATOM 1984 N ASP A 123 13.012 1.257 6.159 1.00 0.31 N ATOM 1985 CA ASP A 123 12.142 0.102 6.335 1.00 0.37 C ATOM 1986 C ASP A 123 12.608 -1.076 5.483 1.00 0.40 C ATOM 1987 O ASP A 123 12.032 -2.161 5.546 1.00 0.45 O ATOM 1988 CB ASP A 123 10.706 0.470 5.957 1.00 0.35 C ATOM 1989 CG ASP A 123 10.040 1.358 6.990 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.896 0.918 8.149 1.00 0.71 O ATOM 1991 OD2 ASP A 123 9.664 2.496 6.638 1.00 0.86 O ATOM 0 H ASP A 123 12.868 1.761 5.284 1.00 0.31 H new ATOM 0 HA ASP A 123 12.183 -0.194 7.383 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.707 0.978 4.993 1.00 0.35 H new ATOM 0 HB3 ASP A 123 10.121 -0.442 5.836 1.00 0.35 H new ATOM 1996 N GLY A 124 13.654 -0.859 4.689 1.00 0.38 N ATOM 1997 CA GLY A 124 14.156 -1.915 3.825 1.00 0.43 C ATOM 1998 C GLY A 124 13.090 -2.392 2.861 1.00 0.44 C ATOM 1999 O GLY A 124 12.792 -3.583 2.787 1.00 0.55 O ATOM 0 H GLY A 124 14.161 0.024 4.628 1.00 0.38 H new ATOM 0 HA2 GLY A 124 15.018 -1.551 3.266 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.500 -2.752 4.433 1.00 0.43 H new ATOM 2003 N ILE A 125 12.517 -1.448 2.118 1.00 0.40 N ATOM 2004 CA ILE A 125 11.454 -1.752 1.169 1.00 0.44 C ATOM 2005 C ILE A 125 11.885 -1.479 -0.268 1.00 0.45 C ATOM 2006 O ILE A 125 11.303 -0.638 -0.955 1.00 0.48 O ATOM 2007 CB ILE A 125 10.196 -0.923 1.487 1.00 0.47 C ATOM 2008 CG1 ILE A 125 9.881 -0.991 2.983 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.010 -1.403 0.670 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.674 -2.400 3.496 1.00 0.49 C ATOM 0 H ILE A 125 12.774 -0.462 2.157 1.00 0.40 H new ATOM 0 HA ILE A 125 11.230 -2.814 1.266 1.00 0.44 H new ATOM 0 HB ILE A 125 10.392 0.115 1.218 1.00 0.47 H new ATOM 0 HG12 ILE A 125 10.696 -0.527 3.539 1.00 0.58 H new ATOM 0 HG13 ILE A 125 8.984 -0.405 3.184 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.134 -0.802 0.913 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.236 -1.304 -0.392 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.808 -2.449 0.902 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.455 -2.370 4.563 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.840 -2.861 2.967 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.578 -2.985 3.327 1.00 0.49 H new ATOM 2022 N THR A 126 12.918 -2.180 -0.718 1.00 0.45 N ATOM 2023 CA THR A 126 13.404 -2.012 -2.078 1.00 0.47 C ATOM 2024 C THR A 126 13.871 -3.338 -2.664 1.00 0.48 C ATOM 2025 O THR A 126 14.017 -4.322 -1.940 1.00 0.57 O ATOM 2026 CB THR A 126 14.531 -0.967 -2.151 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.101 0.241 -1.516 1.00 0.55 O ATOM 2028 CG2 THR A 126 14.910 -0.667 -3.591 1.00 0.53 C ATOM 0 H THR A 126 13.431 -2.866 -0.164 1.00 0.45 H new ATOM 0 HA THR A 126 12.568 -1.648 -2.675 1.00 0.47 H new ATOM 0 HB THR A 126 15.405 -1.372 -1.641 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.217 0.994 -2.133 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.709 0.075 -3.610 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.252 -1.582 -4.075 1.00 0.53 H new ATOM 0 HG23 THR A 126 14.041 -0.279 -4.123 1.00 0.53 H new ATOM 2036 N LEU A 127 14.092 -3.344 -3.983 1.00 0.47 N ATOM 2037 CA LEU A 127 14.553 -4.520 -4.728 1.00 0.48 C ATOM 2038 C LEU A 127 13.972 -5.825 -4.183 1.00 0.46 C ATOM 2039 O LEU A 127 12.991 -5.823 -3.440 1.00 0.52 O ATOM 2040 CB LEU A 127 16.096 -4.575 -4.790 1.00 0.52 C ATOM 2041 CG LEU A 127 16.859 -4.831 -3.480 1.00 0.66 C ATOM 2042 CD1 LEU A 127 18.308 -5.165 -3.774 1.00 1.29 C ATOM 2043 CD2 LEU A 127 16.746 -3.658 -2.530 1.00 1.19 C ATOM 0 H LEU A 127 13.954 -2.522 -4.570 1.00 0.47 H new ATOM 0 HA LEU A 127 14.177 -4.412 -5.746 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.375 -5.356 -5.498 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.448 -3.630 -5.203 1.00 0.52 H new ATOM 0 HG LEU A 127 16.402 -5.687 -2.983 1.00 0.66 H new ATOM 0 HD11 LEU A 127 18.837 -5.344 -2.838 1.00 1.29 H new ATOM 0 HD12 LEU A 127 18.356 -6.059 -4.395 1.00 1.29 H new ATOM 0 HD13 LEU A 127 18.774 -4.332 -4.301 1.00 1.29 H new ATOM 0 HD21 LEU A 127 17.298 -3.876 -1.616 1.00 1.19 H new ATOM 0 HD22 LEU A 127 17.161 -2.767 -3.001 1.00 1.19 H new ATOM 0 HD23 LEU A 127 15.697 -3.485 -2.288 1.00 1.19 H new