USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=17 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 112 GLN : amide:sc= -0.893 K(o=-1.2,f=-5.2!) USER MOD Set 1.2: A 114 ASN : amide:sc= -0.292 K(o=-1.2,f=-8.3!) USER MOD Set 2.1: A 98 ASN : amide:sc= -1.99 K(o=-2.6,f=-5.4!) USER MOD Set 2.2: A 99 ASN : amide:sc= -0.656 K(o=-2.6,f=-5.4) USER MOD Set 3.1: A 61 HIS : no HD1:sc= -9! C(o=-16!,f=-22!) USER MOD Set 3.2: A 80 CYS SG : rot 47:sc= -7.37! USER MOD Set 4.1: A 55 SER OG : rot -33:sc= -0.153 USER MOD Set 4.2: A 56 ASN : amide:sc= -0.988 K(o=-1.1,f=-0.33) USER MOD Single : A 39 ASN : amide:sc= -0.261 K(o=-0.26,f=-4.3!) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= -3.98! (180deg=-4.64!) USER MOD Single : A 46 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.14) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0309 (180deg=-0.255) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -170:sc= -1.67! USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 60 ASN : amide:sc= -1.06 K(o=-1.1,f=-2) USER MOD Single : A 64 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 69 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.047) 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 172:sc= 0 (180deg=-0.0999) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= -10.1! (180deg=-10.9!) USER MOD Single : A 77 SER OG : rot -93:sc= -0.279 USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.923) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.919 K(o=-0.92,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0416) USER MOD Single : A 105 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.14) USER MOD Single : A 107 LYS NZ :NH3+ -138:sc= -1.1 (180deg=-4.48!) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= -0.521 (180deg=-0.648) USER MOD Single : A 115 HIS : no HD1:sc=5.52e-05 X(o=5.5e-05,f=-0.4) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 126 THR OG1 : rot -138:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -6.141 1.618 1.777 1.00 0.33 N ATOM 516 CA PRO A 36 -6.057 1.620 0.322 1.00 0.40 C ATOM 517 C PRO A 36 -5.649 0.268 -0.221 1.00 0.35 C ATOM 518 O PRO A 36 -5.948 -0.079 -1.363 1.00 0.48 O ATOM 519 CB PRO A 36 -4.977 2.651 0.010 1.00 0.47 C ATOM 520 CG PRO A 36 -4.240 2.863 1.288 1.00 0.27 C ATOM 521 CD PRO A 36 -5.213 2.583 2.389 1.00 0.30 C ATOM 0 HA PRO A 36 -7.020 1.849 -0.133 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -4.308 2.293 -0.773 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -5.416 3.582 -0.348 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.378 2.199 1.354 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -3.862 3.883 1.354 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.719 2.166 3.267 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.728 3.488 2.712 1.00 0.30 H new ATOM 529 N ALA A 37 -4.960 -0.488 0.615 1.00 0.27 N ATOM 530 CA ALA A 37 -4.482 -1.800 0.237 1.00 0.31 C ATOM 531 C ALA A 37 -5.602 -2.833 0.258 1.00 0.29 C ATOM 532 O ALA A 37 -5.597 -3.769 -0.535 1.00 0.35 O ATOM 533 CB ALA A 37 -3.354 -2.215 1.157 1.00 0.37 C ATOM 0 H ALA A 37 -4.719 -0.210 1.566 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.111 -1.748 -0.787 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -2.996 -3.204 0.870 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.538 -1.497 1.079 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.715 -2.244 2.185 1.00 0.37 H new ATOM 539 N GLU A 38 -6.565 -2.664 1.159 1.00 0.28 N ATOM 540 CA GLU A 38 -7.670 -3.608 1.249 1.00 0.30 C ATOM 541 C GLU A 38 -8.523 -3.554 -0.014 1.00 0.25 C ATOM 542 O GLU A 38 -9.114 -4.556 -0.413 1.00 0.25 O ATOM 543 CB GLU A 38 -8.522 -3.346 2.495 1.00 0.38 C ATOM 544 CG GLU A 38 -9.671 -2.373 2.279 1.00 0.39 C ATOM 545 CD GLU A 38 -10.537 -2.219 3.512 1.00 0.86 C ATOM 546 OE1 GLU A 38 -9.995 -1.851 4.576 1.00 1.46 O ATOM 547 OE2 GLU A 38 -11.757 -2.465 3.415 1.00 1.36 O ATOM 0 H GLU A 38 -6.602 -1.894 1.827 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.252 -4.611 1.339 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.927 -4.294 2.849 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.878 -2.959 3.285 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.271 -1.400 1.996 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.285 -2.719 1.448 1.00 0.39 H new ATOM 554 N ASN A 39 -8.585 -2.379 -0.639 1.00 0.28 N ATOM 555 CA ASN A 39 -9.350 -2.220 -1.871 1.00 0.30 C ATOM 556 C ASN A 39 -8.709 -3.051 -2.972 1.00 0.24 C ATOM 557 O ASN A 39 -9.352 -3.924 -3.562 1.00 0.22 O ATOM 558 CB ASN A 39 -9.408 -0.748 -2.284 1.00 0.37 C ATOM 559 CG ASN A 39 -10.146 0.109 -1.273 1.00 1.22 C ATOM 560 OD1 ASN A 39 -10.139 -0.175 -0.075 1.00 2.04 O ATOM 561 ND2 ASN A 39 -10.788 1.168 -1.754 1.00 2.00 N ATOM 0 H ASN A 39 -8.119 -1.532 -0.315 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.370 -2.565 -1.703 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -8.394 -0.368 -2.407 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -9.899 -0.665 -3.254 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -11.302 1.783 -1.123 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -10.767 1.366 -2.754 1.00 2.00 H new ATOM 568 N PHE A 40 -7.433 -2.781 -3.240 1.00 0.23 N ATOM 569 CA PHE A 40 -6.703 -3.533 -4.246 1.00 0.21 C ATOM 570 C PHE A 40 -6.818 -5.012 -3.908 1.00 0.17 C ATOM 571 O PHE A 40 -6.989 -5.855 -4.786 1.00 0.19 O ATOM 572 CB PHE A 40 -5.231 -3.089 -4.294 1.00 0.23 C ATOM 573 CG PHE A 40 -4.237 -4.194 -4.052 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.813 -5.005 -5.093 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.732 -4.422 -2.783 1.00 1.48 C ATOM 576 CE1 PHE A 40 -2.904 -6.023 -4.869 1.00 2.32 C ATOM 577 CE2 PHE A 40 -2.823 -5.437 -2.553 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.409 -6.238 -3.597 1.00 2.54 C ATOM 0 H PHE A 40 -6.891 -2.052 -2.776 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.126 -3.348 -5.233 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -5.030 -2.644 -5.269 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.076 -2.308 -3.549 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.196 -4.840 -6.089 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -4.053 -3.798 -1.962 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.581 -6.649 -5.688 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.437 -5.603 -1.558 1.00 2.20 H new ATOM 0 HZ PHE A 40 -1.699 -7.032 -3.420 1.00 2.54 H new ATOM 588 N ARG A 41 -6.742 -5.303 -2.612 1.00 0.15 N ATOM 589 CA ARG A 41 -6.857 -6.663 -2.125 1.00 0.18 C ATOM 590 C ARG A 41 -8.225 -7.226 -2.478 1.00 0.21 C ATOM 591 O ARG A 41 -8.371 -8.414 -2.760 1.00 0.25 O ATOM 592 CB ARG A 41 -6.660 -6.710 -0.617 1.00 0.24 C ATOM 593 CG ARG A 41 -5.212 -6.662 -0.171 1.00 0.32 C ATOM 594 CD ARG A 41 -5.123 -6.365 1.313 1.00 0.33 C ATOM 595 NE ARG A 41 -3.755 -6.431 1.818 1.00 1.36 N ATOM 596 CZ ARG A 41 -3.428 -6.190 3.084 1.00 1.65 C ATOM 597 NH1 ARG A 41 -4.366 -5.861 3.964 1.00 1.07 N ATOM 598 NH2 ARG A 41 -2.164 -6.274 3.474 1.00 2.77 N ATOM 0 H ARG A 41 -6.600 -4.606 -1.881 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.082 -7.266 -2.599 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.194 -5.873 -0.167 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -7.116 -7.622 -0.232 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.727 -7.614 -0.387 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.677 -5.897 -0.734 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.530 -5.372 1.506 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -5.743 -7.076 1.860 1.00 0.33 H new ATOM 0 HE ARG A 41 -3.010 -6.675 1.165 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -5.340 -5.793 3.669 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -4.113 -5.677 4.935 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -1.439 -6.524 2.802 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -1.917 -6.088 4.446 1.00 2.77 H new ATOM 612 N VAL A 42 -9.236 -6.363 -2.441 1.00 0.21 N ATOM 613 CA VAL A 42 -10.587 -6.773 -2.780 1.00 0.24 C ATOM 614 C VAL A 42 -10.629 -7.244 -4.223 1.00 0.20 C ATOM 615 O VAL A 42 -11.091 -8.342 -4.507 1.00 0.26 O ATOM 616 CB VAL A 42 -11.615 -5.636 -2.561 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.853 -5.842 -3.425 1.00 0.35 C ATOM 618 CG2 VAL A 42 -12.008 -5.557 -1.095 1.00 0.35 C ATOM 0 H VAL A 42 -9.142 -5.381 -2.181 1.00 0.21 H new ATOM 0 HA VAL A 42 -10.863 -7.591 -2.114 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.147 -4.697 -2.855 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.558 -5.029 -3.251 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.565 -5.854 -4.476 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.323 -6.791 -3.167 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.731 -4.754 -0.955 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.452 -6.503 -0.786 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -11.123 -5.358 -0.491 1.00 0.35 H new ATOM 628 N LEU A 43 -10.119 -6.422 -5.131 1.00 0.15 N ATOM 629 CA LEU A 43 -10.112 -6.785 -6.545 1.00 0.15 C ATOM 630 C LEU A 43 -9.340 -8.081 -6.783 1.00 0.12 C ATOM 631 O LEU A 43 -9.796 -8.946 -7.533 1.00 0.14 O ATOM 632 CB LEU A 43 -9.527 -5.660 -7.396 1.00 0.16 C ATOM 633 CG LEU A 43 -10.310 -4.353 -7.354 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.654 -3.393 -6.386 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.409 -3.739 -8.742 1.00 0.24 C ATOM 0 H LEU A 43 -9.710 -5.512 -4.920 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.148 -6.945 -6.844 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.507 -5.467 -7.065 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.468 -5.999 -8.430 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.323 -4.560 -7.009 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.218 -2.461 -6.360 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.638 -3.835 -5.390 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.633 -3.191 -6.710 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -10.972 -2.807 -8.688 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.408 -3.537 -9.123 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -10.918 -4.432 -9.411 1.00 0.24 H new ATOM 647 N VAL A 44 -8.176 -8.226 -6.146 1.00 0.11 N ATOM 648 CA VAL A 44 -7.374 -9.435 -6.321 1.00 0.12 C ATOM 649 C VAL A 44 -8.087 -10.658 -5.750 1.00 0.15 C ATOM 650 O VAL A 44 -7.938 -11.768 -6.261 1.00 0.20 O ATOM 651 CB VAL A 44 -5.970 -9.325 -5.678 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.264 -8.055 -6.112 1.00 0.14 C ATOM 653 CG2 VAL A 44 -6.047 -9.397 -4.165 1.00 0.14 C ATOM 0 H VAL A 44 -7.774 -7.533 -5.515 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.245 -9.550 -7.397 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.387 -10.177 -6.029 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.281 -8.007 -5.644 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.150 -8.054 -7.196 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.853 -7.189 -5.809 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -5.044 -9.317 -3.745 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.663 -8.578 -3.793 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.490 -10.348 -3.868 1.00 0.14 H new ATOM 663 N LYS A 45 -8.865 -10.452 -4.687 1.00 0.19 N ATOM 664 CA LYS A 45 -9.592 -11.547 -4.051 1.00 0.26 C ATOM 665 C LYS A 45 -10.996 -11.687 -4.637 1.00 0.27 C ATOM 666 O LYS A 45 -11.704 -12.651 -4.349 1.00 0.32 O ATOM 667 CB LYS A 45 -9.666 -11.333 -2.534 1.00 0.32 C ATOM 668 CG LYS A 45 -10.716 -10.322 -2.096 1.00 0.34 C ATOM 669 CD LYS A 45 -10.894 -10.323 -0.585 1.00 0.42 C ATOM 670 CE LYS A 45 -9.678 -9.750 0.127 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.643 -8.263 0.062 1.00 0.75 N ATOM 0 H LYS A 45 -9.007 -9.541 -4.251 1.00 0.19 H new ATOM 0 HA LYS A 45 -9.048 -12.471 -4.248 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.876 -12.289 -2.054 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.690 -11.004 -2.177 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.424 -9.326 -2.429 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.667 -10.553 -2.576 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.777 -9.740 -0.323 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -11.070 -11.342 -0.240 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -9.686 -10.067 1.170 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -8.771 -10.154 -0.322 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -9.182 -7.889 0.916 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -9.109 -7.965 -0.779 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -10.614 -7.895 0.004 1.00 0.75 H new ATOM 685 N GLN A 46 -11.391 -10.717 -5.459 1.00 0.26 N ATOM 686 CA GLN A 46 -12.709 -10.733 -6.087 1.00 0.31 C ATOM 687 C GLN A 46 -12.588 -10.857 -7.604 1.00 0.34 C ATOM 688 O GLN A 46 -11.503 -11.096 -8.133 1.00 0.38 O ATOM 689 CB GLN A 46 -13.486 -9.461 -5.734 1.00 0.30 C ATOM 690 CG GLN A 46 -13.783 -9.319 -4.252 1.00 0.30 C ATOM 691 CD GLN A 46 -14.620 -10.462 -3.704 1.00 0.37 C ATOM 692 OE1 GLN A 46 -14.499 -10.828 -2.535 1.00 1.06 O ATOM 693 NE2 GLN A 46 -15.475 -11.031 -4.547 1.00 1.27 N ATOM 0 H GLN A 46 -10.817 -9.911 -5.705 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.250 -11.600 -5.707 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.916 -8.594 -6.066 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.426 -9.455 -6.286 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.843 -9.267 -3.702 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.305 -8.378 -4.080 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -15.543 -10.696 -5.508 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -16.063 -11.803 -4.233 1.00 1.27 H new ATOM 702 N LYS A 47 -13.713 -10.699 -8.296 1.00 0.40 N ATOM 703 CA LYS A 47 -13.742 -10.783 -9.753 1.00 0.46 C ATOM 704 C LYS A 47 -13.472 -9.414 -10.368 1.00 0.42 C ATOM 705 O LYS A 47 -13.339 -9.282 -11.585 1.00 0.47 O ATOM 706 CB LYS A 47 -15.103 -11.290 -10.224 1.00 0.52 C ATOM 707 CG LYS A 47 -16.230 -10.301 -9.968 1.00 0.53 C ATOM 708 CD LYS A 47 -17.551 -10.802 -10.530 1.00 0.85 C ATOM 709 CE LYS A 47 -18.677 -9.811 -10.275 1.00 1.64 C ATOM 710 NZ LYS A 47 -18.400 -8.484 -10.894 1.00 2.55 N ATOM 0 H LYS A 47 -14.620 -10.511 -7.869 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.966 -11.479 -10.073 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -15.054 -11.507 -11.291 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.329 -12.228 -9.718 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.330 -10.132 -8.896 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -15.982 -9.341 -10.420 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.450 -10.972 -11.602 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -17.800 -11.762 -10.077 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -19.609 -10.210 -10.674 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.817 -9.689 -9.201 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -19.272 -7.918 -10.907 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -17.673 -7.987 -10.340 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -18.061 -8.619 -11.868 1.00 2.55 H new ATOM 724 N LYS A 48 -13.406 -8.404 -9.510 1.00 0.36 N ATOM 725 CA LYS A 48 -13.170 -7.031 -9.936 1.00 0.40 C ATOM 726 C LYS A 48 -12.013 -6.928 -10.929 1.00 0.53 C ATOM 727 O LYS A 48 -12.227 -6.846 -12.139 1.00 1.19 O ATOM 728 CB LYS A 48 -12.886 -6.152 -8.719 1.00 0.32 C ATOM 729 CG LYS A 48 -13.973 -5.131 -8.428 1.00 0.73 C ATOM 730 CD LYS A 48 -15.190 -5.773 -7.783 1.00 0.46 C ATOM 731 CE LYS A 48 -14.912 -6.162 -6.339 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.144 -6.628 -5.642 1.00 1.46 N ATOM 0 H LYS A 48 -13.514 -8.513 -8.502 1.00 0.36 H new ATOM 0 HA LYS A 48 -14.071 -6.685 -10.443 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.757 -6.790 -7.845 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -11.942 -5.629 -8.873 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.578 -4.357 -7.770 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -14.269 -4.640 -9.355 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -16.031 -5.080 -7.819 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.480 -6.657 -8.350 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.160 -6.951 -6.314 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.495 -5.307 -5.807 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.912 -6.884 -4.661 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.853 -5.867 -5.643 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.528 -7.459 -6.135 1.00 1.46 H new ATOM 746 N ALA A 49 -10.788 -6.931 -10.409 1.00 0.26 N ATOM 747 CA ALA A 49 -9.599 -6.822 -11.248 1.00 0.22 C ATOM 748 C ALA A 49 -8.556 -7.869 -10.885 1.00 0.20 C ATOM 749 O ALA A 49 -8.667 -8.545 -9.862 1.00 0.24 O ATOM 750 CB ALA A 49 -8.995 -5.437 -11.112 1.00 0.21 C ATOM 0 H ALA A 49 -10.593 -7.008 -9.411 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.906 -6.994 -12.280 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.108 -5.364 -11.741 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.724 -4.690 -11.424 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.718 -5.261 -10.073 1.00 0.21 H new ATOM 756 N SER A 50 -7.543 -7.995 -11.733 1.00 0.21 N ATOM 757 CA SER A 50 -6.460 -8.936 -11.492 1.00 0.21 C ATOM 758 C SER A 50 -5.443 -8.308 -10.550 1.00 0.18 C ATOM 759 O SER A 50 -5.506 -7.112 -10.278 1.00 0.19 O ATOM 760 CB SER A 50 -5.790 -9.328 -12.811 1.00 0.25 C ATOM 761 OG SER A 50 -5.495 -8.185 -13.593 1.00 0.27 O ATOM 0 H SER A 50 -7.450 -7.456 -12.594 1.00 0.21 H new ATOM 0 HA SER A 50 -6.866 -9.838 -11.033 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.872 -9.879 -12.606 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.445 -9.996 -13.371 1.00 0.25 H new ATOM 0 HG SER A 50 -5.215 -8.465 -14.489 1.00 0.27 H new ATOM 767 N PHE A 51 -4.509 -9.106 -10.053 1.00 0.19 N ATOM 768 CA PHE A 51 -3.494 -8.598 -9.139 1.00 0.20 C ATOM 769 C PHE A 51 -2.679 -7.489 -9.799 1.00 0.23 C ATOM 770 O PHE A 51 -1.954 -6.760 -9.127 1.00 0.26 O ATOM 771 CB PHE A 51 -2.576 -9.730 -8.674 1.00 0.23 C ATOM 772 CG PHE A 51 -1.945 -9.477 -7.334 1.00 0.23 C ATOM 773 CD1 PHE A 51 -0.789 -8.723 -7.234 1.00 0.98 C ATOM 774 CD2 PHE A 51 -2.500 -9.998 -6.176 1.00 0.98 C ATOM 775 CE1 PHE A 51 -0.198 -8.492 -6.009 1.00 1.05 C ATOM 776 CE2 PHE A 51 -1.912 -9.769 -4.947 1.00 0.97 C ATOM 777 CZ PHE A 51 -0.798 -9.007 -4.847 1.00 0.43 C ATOM 0 H PHE A 51 -4.432 -10.101 -10.265 1.00 0.19 H new ATOM 0 HA PHE A 51 -3.999 -8.181 -8.268 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.149 -10.656 -8.628 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.790 -9.878 -9.415 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -0.343 -8.310 -8.127 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -3.402 -10.589 -6.235 1.00 0.98 H new ATOM 0 HE1 PHE A 51 0.716 -7.921 -5.944 1.00 1.05 H new ATOM 0 HE2 PHE A 51 -2.345 -10.202 -4.058 1.00 0.97 H new ATOM 0 HZ PHE A 51 -0.372 -8.795 -3.878 1.00 0.43 H new ATOM 787 N GLU A 52 -2.796 -7.368 -11.119 1.00 0.25 N ATOM 788 CA GLU A 52 -2.064 -6.344 -11.859 1.00 0.28 C ATOM 789 C GLU A 52 -2.824 -5.013 -11.897 1.00 0.25 C ATOM 790 O GLU A 52 -2.259 -3.964 -11.592 1.00 0.28 O ATOM 791 CB GLU A 52 -1.744 -6.849 -13.270 1.00 0.33 C ATOM 792 CG GLU A 52 -2.833 -6.591 -14.301 1.00 0.35 C ATOM 793 CD GLU A 52 -2.535 -7.241 -15.638 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.723 -6.679 -16.403 1.00 0.83 O ATOM 795 OE2 GLU A 52 -3.112 -8.311 -15.919 1.00 0.80 O ATOM 0 H GLU A 52 -3.389 -7.964 -11.696 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.127 -6.151 -11.337 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.822 -6.377 -13.610 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.554 -7.921 -13.223 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.783 -6.967 -13.922 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -2.948 -5.516 -14.441 1.00 0.35 H new ATOM 802 N GLU A 53 -4.093 -5.050 -12.293 1.00 0.24 N ATOM 803 CA GLU A 53 -4.911 -3.839 -12.341 1.00 0.23 C ATOM 804 C GLU A 53 -5.192 -3.372 -10.926 1.00 0.19 C ATOM 805 O GLU A 53 -5.084 -2.187 -10.608 1.00 0.21 O ATOM 806 CB GLU A 53 -6.224 -4.108 -13.078 1.00 0.27 C ATOM 807 CG GLU A 53 -7.234 -2.979 -12.949 1.00 1.06 C ATOM 808 CD GLU A 53 -8.364 -3.088 -13.955 1.00 1.05 C ATOM 809 OE1 GLU A 53 -9.353 -3.791 -13.663 1.00 1.23 O ATOM 810 OE2 GLU A 53 -8.260 -2.466 -15.034 1.00 1.26 O ATOM 0 H GLU A 53 -4.576 -5.900 -12.584 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.370 -3.062 -12.881 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.011 -4.276 -14.134 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.666 -5.027 -12.692 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.649 -2.981 -11.941 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.725 -2.024 -13.082 1.00 1.06 H new ATOM 817 N ALA A 54 -5.567 -4.321 -10.081 1.00 0.19 N ATOM 818 CA ALA A 54 -5.832 -4.032 -8.688 1.00 0.16 C ATOM 819 C ALA A 54 -4.623 -3.346 -8.082 1.00 0.18 C ATOM 820 O ALA A 54 -4.743 -2.341 -7.376 1.00 0.17 O ATOM 821 CB ALA A 54 -6.154 -5.314 -7.945 1.00 0.16 C ATOM 0 H ALA A 54 -5.694 -5.299 -10.341 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.692 -3.368 -8.606 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.352 -5.087 -6.897 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -7.034 -5.780 -8.388 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.308 -5.997 -8.015 1.00 0.16 H new ATOM 827 N SER A 55 -3.443 -3.890 -8.379 1.00 0.26 N ATOM 828 CA SER A 55 -2.213 -3.311 -7.880 1.00 0.31 C ATOM 829 C SER A 55 -2.041 -1.935 -8.470 1.00 0.33 C ATOM 830 O SER A 55 -1.638 -0.994 -7.792 1.00 0.39 O ATOM 831 CB SER A 55 -1.009 -4.171 -8.243 1.00 0.43 C ATOM 832 OG SER A 55 -0.768 -4.165 -9.636 1.00 1.20 O ATOM 0 H SER A 55 -3.321 -4.722 -8.957 1.00 0.26 H new ATOM 0 HA SER A 55 -2.274 -3.254 -6.793 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.127 -3.803 -7.719 1.00 0.43 H new ATOM 0 HB3 SER A 55 -1.177 -5.194 -7.906 1.00 0.43 H new ATOM 0 HG SER A 55 -1.620 -4.098 -10.115 1.00 1.20 H new ATOM 838 N ASN A 56 -2.352 -1.836 -9.748 1.00 0.32 N ATOM 839 CA ASN A 56 -2.254 -0.581 -10.454 1.00 0.35 C ATOM 840 C ASN A 56 -3.053 0.484 -9.727 1.00 0.30 C ATOM 841 O ASN A 56 -2.655 1.642 -9.687 1.00 0.34 O ATOM 842 CB ASN A 56 -2.737 -0.763 -11.900 1.00 0.40 C ATOM 843 CG ASN A 56 -1.614 -1.138 -12.846 1.00 0.49 C ATOM 844 OD1 ASN A 56 -1.637 -0.784 -14.024 1.00 1.19 O ATOM 845 ND2 ASN A 56 -0.622 -1.859 -12.336 1.00 1.19 N ATOM 0 H ASN A 56 -2.676 -2.617 -10.318 1.00 0.32 H new ATOM 0 HA ASN A 56 -1.215 -0.254 -10.484 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.505 -1.536 -11.928 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -3.203 0.161 -12.243 1.00 0.40 H new ATOM 0 HD21 ASN A 56 0.160 -2.140 -12.927 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -0.642 -2.131 -11.353 1.00 1.19 H new ATOM 852 N GLN A 57 -4.170 0.078 -9.128 1.00 0.25 N ATOM 853 CA GLN A 57 -5.007 1.004 -8.375 1.00 0.24 C ATOM 854 C GLN A 57 -4.373 1.314 -7.021 1.00 0.20 C ATOM 855 O GLN A 57 -4.463 2.439 -6.533 1.00 0.19 O ATOM 856 CB GLN A 57 -6.410 0.422 -8.180 1.00 0.27 C ATOM 857 CG GLN A 57 -7.319 1.298 -7.332 1.00 0.85 C ATOM 858 CD GLN A 57 -8.756 0.816 -7.323 1.00 1.10 C ATOM 859 OE1 GLN A 57 -9.144 -0.002 -6.488 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.557 1.325 -8.253 1.00 1.57 N ATOM 0 H GLN A 57 -4.514 -0.882 -9.150 1.00 0.25 H new ATOM 0 HA GLN A 57 -5.091 1.931 -8.943 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.871 0.272 -9.156 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.326 -0.559 -7.713 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.942 1.322 -6.310 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -7.286 2.320 -7.709 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -9.193 2.000 -8.925 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.536 1.040 -8.295 1.00 1.57 H new ATOM 869 N LEU A 58 -3.743 0.309 -6.411 1.00 0.19 N ATOM 870 CA LEU A 58 -3.081 0.502 -5.119 1.00 0.17 C ATOM 871 C LEU A 58 -1.942 1.510 -5.263 1.00 0.17 C ATOM 872 O LEU A 58 -1.871 2.485 -4.510 1.00 0.18 O ATOM 873 CB LEU A 58 -2.524 -0.836 -4.583 1.00 0.19 C ATOM 874 CG LEU A 58 -2.572 -1.065 -3.053 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.395 -1.925 -2.575 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.559 0.248 -2.307 1.00 0.20 C ATOM 0 H LEU A 58 -3.677 -0.638 -6.785 1.00 0.19 H new ATOM 0 HA LEU A 58 -3.817 0.882 -4.411 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.074 -1.646 -5.062 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.486 -0.922 -4.904 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.503 -1.592 -2.842 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.461 -2.065 -1.496 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.429 -2.896 -3.070 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.457 -1.426 -2.819 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.593 0.057 -1.234 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.648 0.795 -2.549 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.426 0.841 -2.598 1.00 0.20 H new ATOM 888 N ILE A 59 -1.055 1.289 -6.241 1.00 0.19 N ATOM 889 CA ILE A 59 0.061 2.204 -6.441 1.00 0.20 C ATOM 890 C ILE A 59 -0.476 3.547 -6.933 1.00 0.18 C ATOM 891 O ILE A 59 -0.003 4.605 -6.521 1.00 0.16 O ATOM 892 CB ILE A 59 1.090 1.667 -7.461 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.433 0.217 -7.138 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.347 2.524 -7.440 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.649 -0.657 -8.345 1.00 0.38 C ATOM 0 H ILE A 59 -1.090 0.502 -6.889 1.00 0.19 H new ATOM 0 HA ILE A 59 0.572 2.313 -5.485 1.00 0.20 H new ATOM 0 HB ILE A 59 0.656 1.712 -8.460 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.334 0.198 -6.525 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.629 -0.208 -6.536 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.064 2.135 -8.163 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.091 3.551 -7.699 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.787 2.500 -6.443 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.888 -1.670 -8.022 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.742 -0.673 -8.950 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.473 -0.261 -8.938 1.00 0.38 H new ATOM 907 N ASN A 60 -1.477 3.487 -7.824 1.00 0.20 N ATOM 908 CA ASN A 60 -2.107 4.693 -8.363 1.00 0.20 C ATOM 909 C ASN A 60 -2.625 5.559 -7.230 1.00 0.17 C ATOM 910 O ASN A 60 -2.442 6.777 -7.228 1.00 0.18 O ATOM 911 CB ASN A 60 -3.253 4.338 -9.308 1.00 0.22 C ATOM 912 CG ASN A 60 -2.800 4.202 -10.749 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.663 3.815 -11.020 1.00 0.81 O ATOM 914 ND2 ASN A 60 -3.688 4.524 -11.680 1.00 1.05 N ATOM 0 H ASN A 60 -1.865 2.615 -8.184 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.355 5.245 -8.927 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.709 3.402 -8.985 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -4.023 5.107 -9.244 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -3.440 4.456 -12.667 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -4.619 4.840 -11.409 1.00 1.05 H new ATOM 921 N HIS A 61 -3.287 4.927 -6.271 1.00 0.16 N ATOM 922 CA HIS A 61 -3.793 5.649 -5.123 1.00 0.16 C ATOM 923 C HIS A 61 -2.607 6.273 -4.408 1.00 0.13 C ATOM 924 O HIS A 61 -2.629 7.445 -4.014 1.00 0.12 O ATOM 925 CB HIS A 61 -4.556 4.706 -4.194 1.00 0.20 C ATOM 926 CG HIS A 61 -4.128 4.824 -2.772 1.00 0.22 C ATOM 927 ND1 HIS A 61 -2.988 4.231 -2.289 1.00 0.23 N ATOM 928 CD2 HIS A 61 -4.661 5.514 -1.749 1.00 0.26 C ATOM 929 CE1 HIS A 61 -2.832 4.554 -1.023 1.00 0.28 C ATOM 930 NE2 HIS A 61 -3.835 5.338 -0.668 1.00 0.30 N ATOM 0 H HIS A 61 -3.482 3.926 -6.268 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.489 6.427 -5.438 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.623 4.917 -4.266 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.411 3.679 -4.528 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -5.569 6.098 -1.774 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.023 4.233 -0.384 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -3.972 5.745 0.257 1.00 0.30 H new ATOM 939 N ILE A 62 -1.562 5.465 -4.258 1.00 0.14 N ATOM 940 CA ILE A 62 -0.342 5.912 -3.623 1.00 0.13 C ATOM 941 C ILE A 62 0.278 7.039 -4.432 1.00 0.11 C ATOM 942 O ILE A 62 1.072 7.815 -3.916 1.00 0.12 O ATOM 943 CB ILE A 62 0.659 4.758 -3.472 1.00 0.14 C ATOM 944 CG1 ILE A 62 0.110 3.741 -2.479 1.00 0.18 C ATOM 945 CG2 ILE A 62 2.013 5.280 -3.018 1.00 0.14 C ATOM 946 CD1 ILE A 62 0.759 2.390 -2.579 1.00 0.75 C ATOM 0 H ILE A 62 -1.543 4.495 -4.571 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.589 6.276 -2.626 1.00 0.13 H new ATOM 0 HB ILE A 62 0.797 4.273 -4.438 1.00 0.14 H new ATOM 0 HG12 ILE A 62 0.244 4.125 -1.468 1.00 0.18 H new ATOM 0 HG13 ILE A 62 -0.963 3.632 -2.639 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.709 4.447 -2.917 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.397 5.986 -3.755 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.906 5.782 -2.056 1.00 0.14 H new ATOM 0 HD11 ILE A 62 0.318 1.719 -1.842 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.603 1.985 -3.579 1.00 0.75 H new ATOM 0 HD13 ILE A 62 1.828 2.485 -2.389 1.00 0.75 H new ATOM 958 N GLU A 63 -0.084 7.115 -5.709 1.00 0.12 N ATOM 959 CA GLU A 63 0.417 8.169 -6.575 1.00 0.13 C ATOM 960 C GLU A 63 -0.325 9.459 -6.276 1.00 0.12 C ATOM 961 O GLU A 63 0.270 10.535 -6.250 1.00 0.11 O ATOM 962 CB GLU A 63 0.273 7.791 -8.048 1.00 0.17 C ATOM 963 CG GLU A 63 1.278 6.746 -8.489 1.00 0.17 C ATOM 964 CD GLU A 63 1.145 6.383 -9.956 1.00 0.21 C ATOM 965 OE1 GLU A 63 1.748 7.081 -10.797 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.435 5.402 -10.263 1.00 0.70 O ATOM 0 H GLU A 63 -0.721 6.460 -6.163 1.00 0.12 H new ATOM 0 HA GLU A 63 1.480 8.310 -6.379 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.735 7.416 -8.225 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.393 8.685 -8.661 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.286 7.116 -8.301 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.150 5.848 -7.884 1.00 0.17 H new ATOM 973 N GLN A 64 -1.636 9.347 -6.061 1.00 0.14 N ATOM 974 CA GLN A 64 -2.440 10.510 -5.710 1.00 0.14 C ATOM 975 C GLN A 64 -1.856 11.117 -4.444 1.00 0.11 C ATOM 976 O GLN A 64 -1.620 12.327 -4.355 1.00 0.10 O ATOM 977 CB GLN A 64 -3.902 10.116 -5.494 1.00 0.18 C ATOM 978 CG GLN A 64 -4.790 11.273 -5.065 1.00 0.91 C ATOM 979 CD GLN A 64 -6.235 10.860 -4.855 1.00 1.57 C ATOM 980 OE1 GLN A 64 -7.155 11.649 -5.066 1.00 2.40 O ATOM 981 NE2 GLN A 64 -6.441 9.617 -4.433 1.00 2.11 N ATOM 0 H GLN A 64 -2.156 8.472 -6.124 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.418 11.237 -6.522 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -4.295 9.691 -6.418 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.950 9.333 -4.737 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.401 11.700 -4.141 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -4.747 12.057 -5.821 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -5.649 8.996 -4.271 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -7.392 9.284 -4.272 1.00 2.11 H new ATOM 990 N PHE A 65 -1.615 10.258 -3.461 1.00 0.11 N ATOM 991 CA PHE A 65 -1.008 10.703 -2.223 1.00 0.11 C ATOM 992 C PHE A 65 0.392 11.231 -2.532 1.00 0.10 C ATOM 993 O PHE A 65 0.727 12.366 -2.208 1.00 0.12 O ATOM 994 CB PHE A 65 -0.915 9.556 -1.204 1.00 0.14 C ATOM 995 CG PHE A 65 0.444 9.452 -0.583 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.957 10.494 0.178 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.227 8.339 -0.806 1.00 0.14 C ATOM 998 CE1 PHE A 65 2.223 10.417 0.709 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.495 8.262 -0.285 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.995 9.301 0.472 1.00 0.16 C ATOM 0 H PHE A 65 -1.829 9.262 -3.500 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.626 11.487 -1.787 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.658 9.708 -0.421 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.159 8.615 -1.697 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.356 11.374 0.355 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.840 7.521 -1.395 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.610 11.227 1.309 1.00 0.18 H new ATOM 0 HE2 PHE A 65 3.101 7.387 -0.468 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.993 9.239 0.880 1.00 0.16 H new ATOM 1010 N LEU A 66 1.212 10.385 -3.151 1.00 0.09 N ATOM 1011 CA LEU A 66 2.571 10.767 -3.493 1.00 0.10 C ATOM 1012 C LEU A 66 2.556 12.057 -4.302 1.00 0.11 C ATOM 1013 O LEU A 66 3.579 12.718 -4.463 1.00 0.17 O ATOM 1014 CB LEU A 66 3.305 9.629 -4.224 1.00 0.11 C ATOM 1015 CG LEU A 66 3.962 8.585 -3.307 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.717 7.556 -4.132 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.898 9.238 -2.292 1.00 0.08 C ATOM 0 H LEU A 66 0.957 9.436 -3.423 1.00 0.09 H new ATOM 0 HA LEU A 66 3.129 10.952 -2.575 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.596 9.121 -4.878 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.073 10.064 -4.863 1.00 0.11 H new ATOM 0 HG LEU A 66 3.167 8.084 -2.754 1.00 0.10 H new ATOM 0 HD11 LEU A 66 5.177 6.824 -3.468 1.00 0.12 H new ATOM 0 HD12 LEU A 66 4.025 7.051 -4.806 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.492 8.054 -4.715 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.344 8.469 -1.661 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.685 9.778 -2.818 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.333 9.934 -1.671 1.00 0.08 H new ATOM 1029 N ASP A 67 1.382 12.403 -4.826 1.00 0.09 N ATOM 1030 CA ASP A 67 1.224 13.648 -5.553 1.00 0.10 C ATOM 1031 C ASP A 67 1.063 14.773 -4.536 1.00 0.11 C ATOM 1032 O ASP A 67 1.618 15.859 -4.700 1.00 0.13 O ATOM 1033 CB ASP A 67 0.017 13.596 -6.493 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.103 14.844 -7.348 1.00 0.12 C ATOM 1035 OD1 ASP A 67 -0.747 15.813 -6.895 1.00 0.17 O ATOM 1036 OD2 ASP A 67 0.448 14.849 -8.468 1.00 0.18 O ATOM 0 H ASP A 67 0.535 11.839 -4.758 1.00 0.09 H new ATOM 0 HA ASP A 67 2.103 13.821 -6.173 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.100 12.722 -7.139 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.893 13.472 -5.906 1.00 0.11 H new ATOM 1041 N THR A 68 0.289 14.496 -3.477 1.00 0.10 N ATOM 1042 CA THR A 68 0.086 15.472 -2.405 1.00 0.12 C ATOM 1043 C THR A 68 1.398 15.730 -1.667 1.00 0.13 C ATOM 1044 O THR A 68 2.445 15.193 -2.035 1.00 0.13 O ATOM 1045 CB THR A 68 -0.994 15.024 -1.381 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.562 16.174 -0.744 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.435 14.091 -0.309 1.00 0.13 C ATOM 0 H THR A 68 -0.201 13.612 -3.343 1.00 0.10 H new ATOM 0 HA THR A 68 -0.266 16.387 -2.882 1.00 0.12 H new ATOM 0 HB THR A 68 -1.753 14.475 -1.939 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.244 15.888 -0.100 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.232 13.809 0.379 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.030 13.196 -0.781 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.356 14.601 0.241 1.00 0.13 H new ATOM 1055 N ASN A 69 1.336 16.549 -0.626 1.00 0.15 N ATOM 1056 CA ASN A 69 2.516 16.879 0.164 1.00 0.17 C ATOM 1057 C ASN A 69 2.404 16.327 1.586 1.00 0.18 C ATOM 1058 O ASN A 69 3.292 16.531 2.412 1.00 0.20 O ATOM 1059 CB ASN A 69 2.698 18.392 0.205 1.00 0.19 C ATOM 1060 CG ASN A 69 3.102 18.967 -1.140 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.746 20.096 -1.477 1.00 0.91 O ATOM 1062 ND2 ASN A 69 3.855 18.194 -1.917 1.00 1.16 N ATOM 0 H ASN A 69 0.478 16.999 -0.307 1.00 0.15 H new ATOM 0 HA ASN A 69 3.384 16.418 -0.308 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.768 18.858 0.531 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.457 18.643 0.946 1.00 0.19 H new ATOM 0 HD21 ASN A 69 4.159 18.531 -2.830 1.00 1.16 H new ATOM 0 HD22 ASN A 69 4.128 17.264 -1.600 1.00 1.16 H new ATOM 1069 N GLU A 70 1.307 15.631 1.856 1.00 0.17 N ATOM 1070 CA GLU A 70 1.062 15.052 3.176 1.00 0.19 C ATOM 1071 C GLU A 70 1.836 13.748 3.350 1.00 0.17 C ATOM 1072 O GLU A 70 1.974 12.974 2.403 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.434 14.785 3.352 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.325 15.852 2.732 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.523 17.050 3.640 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -0.668 17.957 3.620 1.00 0.76 O ATOM 1077 OE2 GLU A 70 -2.536 17.080 4.370 1.00 0.73 O ATOM 0 H GLU A 70 0.568 15.452 1.176 1.00 0.17 H new ATOM 0 HA GLU A 70 1.402 15.761 3.931 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.676 13.820 2.908 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.658 14.711 4.416 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.887 16.183 1.791 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.296 15.416 2.496 1.00 0.22 H new ATOM 1084 N THR A 71 2.343 13.505 4.560 1.00 0.12 N ATOM 1085 CA THR A 71 3.091 12.282 4.833 1.00 0.10 C ATOM 1086 C THR A 71 2.303 11.230 5.628 1.00 0.13 C ATOM 1087 O THR A 71 2.758 10.100 5.729 1.00 0.13 O ATOM 1088 CB THR A 71 4.416 12.546 5.560 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.191 13.327 6.739 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.400 13.256 4.643 1.00 0.11 C ATOM 0 H THR A 71 2.249 14.134 5.358 1.00 0.12 H new ATOM 0 HA THR A 71 3.291 11.880 3.840 1.00 0.10 H new ATOM 0 HB THR A 71 4.843 11.586 5.850 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.044 13.486 7.194 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.333 13.434 5.178 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.596 12.635 3.769 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.978 14.209 4.324 1.00 0.11 H new ATOM 1098 N PRO A 72 1.147 11.549 6.255 1.00 0.17 N ATOM 1099 CA PRO A 72 0.370 10.528 6.960 1.00 0.23 C ATOM 1100 C PRO A 72 0.281 9.274 6.125 1.00 0.17 C ATOM 1101 O PRO A 72 0.278 8.147 6.623 1.00 0.17 O ATOM 1102 CB PRO A 72 -1.012 11.158 7.029 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.747 12.616 7.144 1.00 0.32 C ATOM 1104 CD PRO A 72 0.514 12.881 6.360 1.00 0.18 C ATOM 0 HA PRO A 72 0.796 10.254 7.925 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.598 10.929 6.139 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.576 10.788 7.885 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.581 13.195 6.747 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.625 12.908 8.187 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.294 13.299 5.377 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.162 13.593 6.872 1.00 0.18 H new ATOM 1112 N TYR A 73 0.207 9.523 4.835 1.00 0.16 N ATOM 1113 CA TYR A 73 0.082 8.500 3.833 1.00 0.16 C ATOM 1114 C TYR A 73 1.435 7.948 3.362 1.00 0.13 C ATOM 1115 O TYR A 73 1.463 6.924 2.702 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.722 9.074 2.672 1.00 0.18 C ATOM 1117 CG TYR A 73 -2.024 9.696 3.123 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.923 8.987 3.908 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.354 10.997 2.759 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -4.116 9.556 4.320 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.541 11.573 3.168 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.421 10.835 3.957 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.601 11.420 4.357 1.00 0.50 O ATOM 0 H TYR A 73 0.233 10.467 4.450 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.435 7.645 4.269 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.124 9.825 2.156 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -0.931 8.283 1.952 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.688 7.975 4.202 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.671 11.566 2.146 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.804 8.988 4.928 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.784 12.585 2.879 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.648 12.334 4.006 1.00 0.50 H new ATOM 1133 N PHE A 74 2.553 8.630 3.658 1.00 0.11 N ATOM 1134 CA PHE A 74 3.863 8.128 3.217 1.00 0.10 C ATOM 1135 C PHE A 74 4.264 6.867 3.983 1.00 0.09 C ATOM 1136 O PHE A 74 4.764 5.904 3.391 1.00 0.08 O ATOM 1137 CB PHE A 74 4.946 9.245 3.208 1.00 0.11 C ATOM 1138 CG PHE A 74 5.822 9.445 4.427 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.375 9.234 5.717 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.125 9.890 4.249 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.206 9.456 6.803 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.956 10.116 5.327 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.496 9.899 6.606 1.00 0.17 C ATOM 0 H PHE A 74 2.579 9.503 4.184 1.00 0.11 H new ATOM 0 HA PHE A 74 3.774 7.821 2.175 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.604 9.055 2.361 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.439 10.190 3.012 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.364 8.891 5.881 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.495 10.062 3.249 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.843 9.282 7.805 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.966 10.463 5.167 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.144 10.075 7.452 1.00 0.17 H new ATOM 1153 N MET A 75 4.012 6.840 5.283 1.00 0.09 N ATOM 1154 CA MET A 75 4.305 5.648 6.065 1.00 0.09 C ATOM 1155 C MET A 75 3.214 4.647 5.763 1.00 0.09 C ATOM 1156 O MET A 75 3.447 3.445 5.643 1.00 0.11 O ATOM 1157 CB MET A 75 4.357 5.948 7.567 1.00 0.14 C ATOM 1158 CG MET A 75 3.794 7.305 7.952 1.00 0.30 C ATOM 1159 SD MET A 75 3.223 7.361 9.663 1.00 0.52 S ATOM 1160 CE MET A 75 4.723 6.929 10.540 1.00 1.81 C ATOM 0 H MET A 75 3.612 7.615 5.812 1.00 0.09 H new ATOM 0 HA MET A 75 5.287 5.259 5.797 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.805 5.174 8.100 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.393 5.889 7.902 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.559 8.067 7.803 1.00 0.30 H new ATOM 0 HG3 MET A 75 2.965 7.552 7.288 1.00 0.30 H new ATOM 0 HE1 MET A 75 4.569 7.060 11.611 1.00 1.81 H new ATOM 0 HE2 MET A 75 4.978 5.889 10.334 1.00 1.81 H new ATOM 0 HE3 MET A 75 5.537 7.575 10.209 1.00 1.81 H new ATOM 1170 N LYS A 76 2.011 5.175 5.625 1.00 0.09 N ATOM 1171 CA LYS A 76 0.867 4.367 5.280 1.00 0.10 C ATOM 1172 C LYS A 76 1.061 3.859 3.858 1.00 0.10 C ATOM 1173 O LYS A 76 0.490 2.843 3.461 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.401 5.198 5.403 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.675 4.410 5.226 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.553 5.032 4.162 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.905 4.940 2.801 1.00 0.33 C ATOM 1178 NZ LYS A 76 -0.919 6.020 2.566 1.00 0.96 N ATOM 0 H LYS A 76 1.806 6.166 5.749 1.00 0.09 H new ATOM 0 HA LYS A 76 0.771 3.517 5.955 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.415 5.676 6.383 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.373 5.995 4.660 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.436 3.383 4.951 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.216 4.369 6.171 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.519 4.528 4.143 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.743 6.077 4.408 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -1.410 3.974 2.703 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -2.676 4.983 2.032 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -0.833 6.195 1.544 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -1.236 6.889 3.041 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 0.006 5.735 2.947 1.00 0.96 H new ATOM 1192 N SER A 77 1.886 4.586 3.093 1.00 0.09 N ATOM 1193 CA SER A 77 2.204 4.182 1.734 1.00 0.09 C ATOM 1194 C SER A 77 3.023 2.930 1.845 1.00 0.08 C ATOM 1195 O SER A 77 2.754 1.922 1.197 1.00 0.09 O ATOM 1196 CB SER A 77 3.003 5.245 0.973 1.00 0.10 C ATOM 1197 OG SER A 77 4.395 5.045 1.129 1.00 0.10 O ATOM 0 H SER A 77 2.338 5.449 3.397 1.00 0.09 H new ATOM 0 HA SER A 77 1.280 4.032 1.176 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.744 5.211 -0.085 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.732 6.237 1.335 1.00 0.10 H new ATOM 0 HG SER A 77 4.719 5.575 1.887 1.00 0.10 H new ATOM 1203 N ILE A 78 4.039 3.012 2.697 1.00 0.09 N ATOM 1204 CA ILE A 78 4.890 1.876 2.953 1.00 0.09 C ATOM 1205 C ILE A 78 4.008 0.687 3.310 1.00 0.11 C ATOM 1206 O ILE A 78 4.251 -0.432 2.874 1.00 0.12 O ATOM 1207 CB ILE A 78 5.897 2.172 4.096 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.303 1.761 3.678 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.507 1.471 5.389 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.843 2.597 2.547 1.00 0.13 C ATOM 0 H ILE A 78 4.286 3.854 3.216 1.00 0.09 H new ATOM 0 HA ILE A 78 5.475 1.654 2.061 1.00 0.09 H new ATOM 0 HB ILE A 78 5.876 3.245 4.284 1.00 0.08 H new ATOM 0 HG12 ILE A 78 7.971 1.843 4.536 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.296 0.713 3.378 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.237 1.704 6.164 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.521 1.813 5.705 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.483 0.394 5.226 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.847 2.259 2.292 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.194 2.495 1.677 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.879 3.643 2.852 1.00 0.13 H new ATOM 1222 N ASP A 79 2.954 0.966 4.078 1.00 0.11 N ATOM 1223 CA ASP A 79 2.014 -0.063 4.503 1.00 0.13 C ATOM 1224 C ASP A 79 1.320 -0.724 3.312 1.00 0.13 C ATOM 1225 O ASP A 79 1.285 -1.949 3.221 1.00 0.16 O ATOM 1226 CB ASP A 79 0.981 0.526 5.462 1.00 0.13 C ATOM 1227 CG ASP A 79 1.433 0.463 6.908 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.245 -0.597 7.542 1.00 0.68 O ATOM 1229 OD2 ASP A 79 1.974 1.472 7.405 1.00 0.69 O ATOM 0 H ASP A 79 2.732 1.902 4.418 1.00 0.11 H new ATOM 0 HA ASP A 79 2.582 -0.835 5.022 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.786 1.563 5.190 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.040 -0.014 5.354 1.00 0.13 H new ATOM 1234 N CYS A 80 0.741 0.069 2.407 1.00 0.14 N ATOM 1235 CA CYS A 80 0.086 -0.514 1.237 1.00 0.16 C ATOM 1236 C CYS A 80 1.094 -1.317 0.417 1.00 0.14 C ATOM 1237 O CYS A 80 0.744 -2.327 -0.192 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.631 0.538 0.394 1.00 0.23 C ATOM 1239 SG CYS A 80 0.068 2.188 0.492 1.00 0.65 S ATOM 0 H CYS A 80 0.712 1.087 2.459 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.689 -1.196 1.587 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -0.622 0.216 -0.647 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -1.675 0.582 0.705 1.00 0.23 H new ATOM 0 HG CYS A 80 1.359 2.121 0.355 1.00 0.65 H new ATOM 1245 N ILE A 81 2.348 -0.864 0.400 1.00 0.16 N ATOM 1246 CA ILE A 81 3.399 -1.611 -0.281 1.00 0.17 C ATOM 1247 C ILE A 81 3.517 -2.949 0.434 1.00 0.17 C ATOM 1248 O ILE A 81 3.558 -4.004 -0.187 1.00 0.19 O ATOM 1249 CB ILE A 81 4.769 -0.900 -0.196 1.00 0.18 C ATOM 1250 CG1 ILE A 81 4.939 0.121 -1.318 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.905 -1.915 -0.213 1.00 0.20 C ATOM 1252 CD1 ILE A 81 4.741 1.545 -0.855 1.00 0.32 C ATOM 0 H ILE A 81 2.655 0.002 0.843 1.00 0.16 H new ATOM 0 HA ILE A 81 3.141 -1.710 -1.335 1.00 0.17 H new ATOM 0 HB ILE A 81 4.804 -0.360 0.750 1.00 0.18 H new ATOM 0 HG12 ILE A 81 5.936 0.019 -1.746 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.227 -0.099 -2.113 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.860 -1.393 -0.152 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.804 -2.588 0.639 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.864 -2.491 -1.137 1.00 0.20 H new ATOM 0 HD11 ILE A 81 4.875 2.223 -1.698 1.00 0.32 H new ATOM 0 HD12 ILE A 81 3.735 1.660 -0.453 1.00 0.32 H new ATOM 0 HD13 ILE A 81 5.471 1.780 -0.080 1.00 0.32 H new ATOM 1264 N ARG A 82 3.574 -2.868 1.767 1.00 0.18 N ATOM 1265 CA ARG A 82 3.661 -4.044 2.622 1.00 0.20 C ATOM 1266 C ARG A 82 2.575 -5.033 2.223 1.00 0.26 C ATOM 1267 O ARG A 82 2.806 -6.241 2.159 1.00 0.36 O ATOM 1268 CB ARG A 82 3.493 -3.634 4.091 1.00 0.18 C ATOM 1269 CG ARG A 82 4.786 -3.522 4.876 1.00 0.18 C ATOM 1270 CD ARG A 82 5.454 -2.177 4.659 1.00 0.16 C ATOM 1271 NE ARG A 82 6.480 -1.899 5.664 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.585 -2.620 5.817 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.814 -3.664 5.034 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.466 -2.299 6.755 1.00 0.85 N ATOM 0 H ARG A 82 3.561 -1.985 2.278 1.00 0.18 H new ATOM 0 HA ARG A 82 4.637 -4.514 2.502 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.978 -2.674 4.128 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.848 -4.361 4.584 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.581 -3.661 5.938 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.466 -4.320 4.575 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.904 -2.153 3.667 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.700 -1.391 4.686 1.00 0.16 H new ATOM 0 HE ARG A 82 6.338 -1.103 6.285 1.00 0.33 H new ATOM 0 HH11 ARG A 82 7.141 -3.916 4.311 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.664 -4.215 5.155 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.296 -1.497 7.361 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.314 -2.855 6.870 1.00 0.85 H new ATOM 1288 N ALA A 83 1.386 -4.496 1.964 1.00 0.22 N ATOM 1289 CA ALA A 83 0.251 -5.299 1.530 1.00 0.27 C ATOM 1290 C ALA A 83 0.629 -6.055 0.281 1.00 0.31 C ATOM 1291 O ALA A 83 0.537 -7.278 0.207 1.00 0.40 O ATOM 1292 CB ALA A 83 -0.929 -4.400 1.221 1.00 0.25 C ATOM 0 H ALA A 83 1.185 -3.500 2.049 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.021 -5.995 2.324 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -1.774 -5.007 0.897 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.205 -3.842 2.116 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -0.658 -3.703 0.428 1.00 0.25 H new ATOM 1298 N PHE A 84 1.056 -5.280 -0.698 1.00 0.30 N ATOM 1299 CA PHE A 84 1.493 -5.801 -1.975 1.00 0.40 C ATOM 1300 C PHE A 84 2.478 -6.912 -1.790 1.00 0.36 C ATOM 1301 O PHE A 84 2.372 -7.979 -2.390 1.00 0.36 O ATOM 1302 CB PHE A 84 2.237 -4.712 -2.720 1.00 0.65 C ATOM 1303 CG PHE A 84 1.436 -3.943 -3.687 1.00 1.18 C ATOM 1304 CD1 PHE A 84 0.385 -4.552 -4.332 1.00 2.00 C ATOM 1305 CD2 PHE A 84 1.710 -2.620 -3.939 1.00 2.05 C ATOM 1306 CE1 PHE A 84 -0.382 -3.854 -5.216 1.00 3.01 C ATOM 1307 CE2 PHE A 84 0.946 -1.914 -4.819 1.00 3.01 C ATOM 1308 CZ PHE A 84 -0.007 -2.494 -5.516 1.00 3.37 C ATOM 0 H PHE A 84 1.109 -4.264 -0.627 1.00 0.30 H new ATOM 0 HA PHE A 84 0.611 -6.151 -2.511 1.00 0.40 H new ATOM 0 HB2 PHE A 84 2.657 -4.019 -1.991 1.00 0.65 H new ATOM 0 HB3 PHE A 84 3.075 -5.166 -3.249 1.00 0.65 H new ATOM 0 HD1 PHE A 84 0.166 -5.591 -4.136 1.00 2.00 H new ATOM 0 HD2 PHE A 84 2.535 -2.137 -3.437 1.00 2.05 H new ATOM 0 HE1 PHE A 84 -1.246 -4.306 -5.679 1.00 3.01 H new ATOM 0 HE2 PHE A 84 1.126 -0.857 -4.947 1.00 3.01 H new ATOM 0 HZ PHE A 84 -0.506 -1.955 -6.308 1.00 3.37 H new ATOM 1318 N ARG A 85 3.445 -6.628 -0.947 1.00 0.39 N ATOM 1319 CA ARG A 85 4.519 -7.538 -0.710 1.00 0.43 C ATOM 1320 C ARG A 85 4.025 -8.930 -0.317 1.00 0.38 C ATOM 1321 O ARG A 85 4.313 -9.916 -0.999 1.00 0.37 O ATOM 1322 CB ARG A 85 5.464 -6.990 0.358 1.00 0.56 C ATOM 1323 CG ARG A 85 6.126 -5.681 -0.038 1.00 0.88 C ATOM 1324 CD ARG A 85 7.071 -5.191 1.040 1.00 0.72 C ATOM 1325 NE ARG A 85 8.198 -6.104 1.225 1.00 1.07 N ATOM 1326 CZ ARG A 85 9.071 -6.014 2.222 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.943 -5.065 3.136 1.00 1.31 N ATOM 1328 NH2 ARG A 85 10.072 -6.878 2.308 1.00 1.75 N ATOM 0 H ARG A 85 3.500 -5.761 -0.413 1.00 0.39 H new ATOM 0 HA ARG A 85 5.062 -7.640 -1.649 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.908 -6.842 1.284 1.00 0.56 H new ATOM 0 HB3 ARG A 85 6.236 -7.731 0.565 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.674 -5.816 -0.970 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.362 -4.927 -0.224 1.00 0.88 H new ATOM 0 HD2 ARG A 85 7.444 -4.201 0.775 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.529 -5.087 1.980 1.00 0.72 H new ATOM 0 HE ARG A 85 8.321 -6.856 0.547 1.00 1.07 H new ATOM 0 HH11 ARG A 85 8.172 -4.400 3.076 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.615 -4.999 3.900 1.00 1.31 H new ATOM 0 HH21 ARG A 85 10.173 -7.613 1.608 1.00 1.75 H new ATOM 0 HH22 ARG A 85 10.742 -6.808 3.074 1.00 1.75 H new ATOM 1342 N GLU A 86 3.281 -9.003 0.784 1.00 0.38 N ATOM 1343 CA GLU A 86 2.765 -10.276 1.281 1.00 0.36 C ATOM 1344 C GLU A 86 1.739 -10.885 0.328 1.00 0.31 C ATOM 1345 O GLU A 86 1.903 -12.016 -0.121 1.00 0.44 O ATOM 1346 CB GLU A 86 2.138 -10.087 2.663 1.00 0.41 C ATOM 1347 CG GLU A 86 3.087 -9.487 3.687 1.00 1.13 C ATOM 1348 CD GLU A 86 2.424 -9.257 5.030 1.00 1.53 C ATOM 1349 OE1 GLU A 86 1.795 -8.192 5.206 1.00 1.89 O ATOM 1350 OE2 GLU A 86 2.535 -10.140 5.907 1.00 1.91 O ATOM 0 H GLU A 86 3.022 -8.195 1.350 1.00 0.38 H new ATOM 0 HA GLU A 86 3.607 -10.965 1.351 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.263 -9.443 2.570 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.787 -11.052 3.028 1.00 0.41 H new ATOM 0 HG2 GLU A 86 3.942 -10.150 3.817 1.00 1.13 H new ATOM 0 HG3 GLU A 86 3.472 -8.540 3.309 1.00 1.13 H new ATOM 1357 N GLU A 87 0.695 -10.125 0.007 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.359 -10.607 -0.887 1.00 0.15 C ATOM 1359 C GLU A 87 0.226 -11.207 -2.159 1.00 0.14 C ATOM 1360 O GLU A 87 -0.187 -12.283 -2.581 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.323 -9.472 -1.236 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.452 -9.304 -0.231 1.00 0.24 C ATOM 1363 CD GLU A 87 -1.958 -9.239 1.201 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -1.535 -8.147 1.634 1.00 1.83 O ATOM 1365 OE2 GLU A 87 -1.996 -10.279 1.889 1.00 1.06 O ATOM 0 H GLU A 87 0.555 -9.175 0.351 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.907 -11.391 -0.364 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.764 -8.539 -1.302 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -1.749 -9.658 -2.222 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -3.005 -8.394 -0.462 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.150 -10.135 -0.333 1.00 0.24 H new ATOM 1372 N ALA A 88 1.190 -10.522 -2.767 1.00 0.18 N ATOM 1373 CA ALA A 88 1.805 -11.029 -3.986 1.00 0.17 C ATOM 1374 C ALA A 88 2.298 -12.452 -3.775 1.00 0.17 C ATOM 1375 O ALA A 88 2.140 -13.309 -4.643 1.00 0.18 O ATOM 1376 CB ALA A 88 2.935 -10.132 -4.451 1.00 0.19 C ATOM 0 H ALA A 88 1.557 -9.628 -2.441 1.00 0.18 H new ATOM 0 HA ALA A 88 1.047 -11.034 -4.769 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.372 -10.540 -5.363 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.548 -9.133 -4.649 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.699 -10.078 -3.676 1.00 0.19 H new ATOM 1382 N ILE A 89 2.900 -12.692 -2.614 1.00 0.20 N ATOM 1383 CA ILE A 89 3.379 -14.021 -2.272 1.00 0.23 C ATOM 1384 C ILE A 89 2.206 -14.985 -2.242 1.00 0.24 C ATOM 1385 O ILE A 89 2.222 -16.034 -2.886 1.00 0.31 O ATOM 1386 CB ILE A 89 4.074 -14.036 -0.897 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.392 -13.262 -0.953 1.00 0.74 C ATOM 1388 CG2 ILE A 89 4.301 -15.469 -0.441 1.00 0.60 C ATOM 1389 CD1 ILE A 89 6.013 -13.019 0.406 1.00 1.52 C ATOM 0 H ILE A 89 3.066 -11.984 -1.898 1.00 0.20 H new ATOM 0 HA ILE A 89 4.105 -14.322 -3.027 1.00 0.23 H new ATOM 0 HB ILE A 89 3.428 -13.544 -0.171 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.100 -13.812 -1.573 1.00 0.74 H new ATOM 0 HG13 ILE A 89 5.219 -12.303 -1.441 1.00 0.74 H new ATOM 0 HG21 ILE A 89 4.793 -15.468 0.532 1.00 0.60 H new ATOM 0 HG22 ILE A 89 3.342 -15.982 -0.362 1.00 0.60 H new ATOM 0 HG23 ILE A 89 4.931 -15.986 -1.165 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.944 -12.465 0.287 1.00 1.52 H new ATOM 0 HD12 ILE A 89 5.324 -12.442 1.023 1.00 1.52 H new ATOM 0 HD13 ILE A 89 6.218 -13.975 0.888 1.00 1.52 H new ATOM 1401 N LYS A 90 1.186 -14.608 -1.479 1.00 0.24 N ATOM 1402 CA LYS A 90 -0.020 -15.407 -1.358 1.00 0.29 C ATOM 1403 C LYS A 90 -0.779 -15.464 -2.682 1.00 0.30 C ATOM 1404 O LYS A 90 -1.720 -16.244 -2.836 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.918 -14.851 -0.248 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.709 -15.519 1.108 1.00 0.33 C ATOM 1407 CD LYS A 90 0.718 -15.369 1.610 1.00 0.66 C ATOM 1408 CE LYS A 90 1.029 -13.928 1.963 1.00 1.74 C ATOM 1409 NZ LYS A 90 2.438 -13.755 2.409 1.00 2.42 N ATOM 0 H LYS A 90 1.175 -13.747 -0.933 1.00 0.24 H new ATOM 0 HA LYS A 90 0.273 -16.424 -1.096 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -0.735 -13.781 -0.147 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.960 -14.969 -0.544 1.00 0.35 H new ATOM 0 HG2 LYS A 90 -1.395 -15.084 1.835 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.955 -16.578 1.031 1.00 0.33 H new ATOM 0 HD2 LYS A 90 0.866 -16.000 2.486 1.00 0.66 H new ATOM 0 HD3 LYS A 90 1.413 -15.717 0.846 1.00 0.66 H new ATOM 0 HE2 LYS A 90 0.843 -13.294 1.096 1.00 1.74 H new ATOM 0 HE3 LYS A 90 0.355 -13.595 2.752 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 2.821 -12.872 2.015 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 2.471 -13.714 3.448 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 3.009 -14.558 2.076 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.366 -14.631 -3.635 1.00 0.18 N ATOM 1424 CA PHE A 91 -1.009 -14.583 -4.943 1.00 0.19 C ATOM 1425 C PHE A 91 -0.051 -14.992 -6.056 1.00 0.20 C ATOM 1426 O PHE A 91 -0.322 -14.757 -7.234 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.576 -13.190 -5.207 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.942 -12.996 -4.615 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -3.090 -12.643 -3.285 1.00 0.73 C ATOM 1430 CD2 PHE A 91 -4.077 -13.162 -5.390 1.00 0.83 C ATOM 1431 CE1 PHE A 91 -4.345 -12.458 -2.739 1.00 0.74 C ATOM 1432 CE2 PHE A 91 -5.333 -12.978 -4.852 1.00 0.90 C ATOM 1433 CZ PHE A 91 -5.469 -12.650 -3.517 1.00 0.43 C ATOM 0 H PHE A 91 0.412 -13.980 -3.524 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.829 -15.301 -4.936 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.897 -12.443 -4.796 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.624 -13.020 -6.283 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -2.214 -12.511 -2.667 1.00 0.73 H new ATOM 0 HD2 PHE A 91 -3.977 -13.439 -6.429 1.00 0.83 H new ATOM 0 HE1 PHE A 91 -4.447 -12.164 -1.705 1.00 0.74 H new ATOM 0 HE2 PHE A 91 -6.209 -13.090 -5.473 1.00 0.90 H new ATOM 0 HZ PHE A 91 -6.452 -12.544 -3.083 1.00 0.43 H new ATOM 1443 N SER A 92 1.061 -15.619 -5.672 1.00 0.20 N ATOM 1444 CA SER A 92 2.066 -16.072 -6.633 1.00 0.23 C ATOM 1445 C SER A 92 2.322 -15.013 -7.700 1.00 0.27 C ATOM 1446 O SER A 92 1.902 -15.158 -8.849 1.00 0.61 O ATOM 1447 CB SER A 92 1.625 -17.381 -7.289 1.00 0.24 C ATOM 1448 OG SER A 92 1.467 -18.407 -6.326 1.00 0.25 O ATOM 0 H SER A 92 1.289 -15.825 -4.699 1.00 0.20 H new ATOM 0 HA SER A 92 2.996 -16.243 -6.090 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.685 -17.227 -7.818 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.363 -17.686 -8.032 1.00 0.24 H new ATOM 0 HG SER A 92 1.183 -19.233 -6.771 1.00 0.25 H new ATOM 1454 N GLU A 93 3.008 -13.945 -7.310 1.00 0.20 N ATOM 1455 CA GLU A 93 3.317 -12.856 -8.227 1.00 0.18 C ATOM 1456 C GLU A 93 4.659 -12.217 -7.884 1.00 0.18 C ATOM 1457 O GLU A 93 4.731 -11.313 -7.052 1.00 0.19 O ATOM 1458 CB GLU A 93 2.205 -11.805 -8.186 1.00 0.19 C ATOM 1459 CG GLU A 93 0.974 -12.185 -8.994 1.00 0.27 C ATOM 1460 CD GLU A 93 1.266 -12.317 -10.476 1.00 0.74 C ATOM 1461 OE1 GLU A 93 1.291 -11.278 -11.171 1.00 0.96 O ATOM 1462 OE2 GLU A 93 1.469 -13.457 -10.942 1.00 1.46 O ATOM 0 H GLU A 93 3.361 -13.810 -6.363 1.00 0.20 H new ATOM 0 HA GLU A 93 3.384 -13.266 -9.235 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.911 -11.640 -7.149 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.597 -10.859 -8.561 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.576 -13.129 -8.621 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.200 -11.432 -8.846 1.00 0.27 H new ATOM 1469 N GLU A 94 5.722 -12.699 -8.525 1.00 0.21 N ATOM 1470 CA GLU A 94 7.063 -12.175 -8.285 1.00 0.24 C ATOM 1471 C GLU A 94 7.333 -10.942 -9.142 1.00 0.25 C ATOM 1472 O GLU A 94 8.080 -10.050 -8.744 1.00 0.31 O ATOM 1473 CB GLU A 94 8.119 -13.253 -8.555 1.00 0.28 C ATOM 1474 CG GLU A 94 7.912 -14.019 -9.853 1.00 0.33 C ATOM 1475 CD GLU A 94 8.287 -13.213 -11.081 1.00 0.92 C ATOM 1476 OE1 GLU A 94 9.472 -12.840 -11.207 1.00 1.53 O ATOM 1477 OE2 GLU A 94 7.395 -12.956 -11.916 1.00 1.46 O ATOM 0 H GLU A 94 5.680 -13.450 -9.213 1.00 0.21 H new ATOM 0 HA GLU A 94 7.124 -11.880 -7.237 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.103 -12.784 -8.576 1.00 0.28 H new ATOM 0 HB3 GLU A 94 8.120 -13.960 -7.725 1.00 0.28 H new ATOM 0 HG2 GLU A 94 8.507 -14.932 -9.829 1.00 0.33 H new ATOM 0 HG3 GLU A 94 6.867 -14.321 -9.928 1.00 0.33 H new ATOM 1484 N GLN A 95 6.717 -10.897 -10.321 1.00 0.25 N ATOM 1485 CA GLN A 95 6.890 -9.769 -11.228 1.00 0.28 C ATOM 1486 C GLN A 95 6.261 -8.514 -10.643 1.00 0.23 C ATOM 1487 O GLN A 95 6.840 -7.430 -10.705 1.00 0.20 O ATOM 1488 CB GLN A 95 6.278 -10.083 -12.595 1.00 0.33 C ATOM 1489 CG GLN A 95 4.821 -10.514 -12.526 1.00 0.73 C ATOM 1490 CD GLN A 95 4.245 -10.863 -13.886 1.00 0.78 C ATOM 1491 OE1 GLN A 95 3.369 -11.722 -13.998 1.00 1.54 O ATOM 1492 NE2 GLN A 95 4.730 -10.194 -14.928 1.00 1.03 N ATOM 0 H GLN A 95 6.096 -11.627 -10.668 1.00 0.25 H new ATOM 0 HA GLN A 95 7.958 -9.593 -11.358 1.00 0.28 H new ATOM 0 HB2 GLN A 95 6.357 -9.201 -13.230 1.00 0.33 H new ATOM 0 HB3 GLN A 95 6.859 -10.872 -13.071 1.00 0.33 H new ATOM 0 HG2 GLN A 95 4.733 -11.378 -11.867 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.231 -9.713 -12.081 1.00 0.73 H new ATOM 0 HE21 GLN A 95 5.456 -9.491 -14.790 1.00 1.03 H new ATOM 0 HE22 GLN A 95 4.376 -10.384 -15.866 1.00 1.03 H new ATOM 1501 N ARG A 96 5.069 -8.671 -10.078 1.00 0.25 N ATOM 1502 CA ARG A 96 4.360 -7.558 -9.461 1.00 0.22 C ATOM 1503 C ARG A 96 5.231 -6.879 -8.423 1.00 0.20 C ATOM 1504 O ARG A 96 5.176 -5.664 -8.257 1.00 0.26 O ATOM 1505 CB ARG A 96 3.068 -8.052 -8.810 1.00 0.25 C ATOM 1506 CG ARG A 96 2.565 -7.165 -7.700 1.00 0.95 C ATOM 1507 CD ARG A 96 1.799 -5.980 -8.235 1.00 0.63 C ATOM 1508 NE ARG A 96 2.653 -5.043 -8.961 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.440 -4.676 -10.220 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.413 -5.173 -10.896 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.256 -3.812 -10.808 1.00 2.99 N ATOM 0 H ARG A 96 4.573 -9.561 -10.035 1.00 0.25 H new ATOM 0 HA ARG A 96 4.115 -6.835 -10.239 1.00 0.22 H new ATOM 0 HB2 ARG A 96 2.296 -8.134 -9.575 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.232 -9.054 -8.415 1.00 0.25 H new ATOM 0 HG2 ARG A 96 1.923 -7.743 -7.035 1.00 0.95 H new ATOM 0 HG3 ARG A 96 3.408 -6.814 -7.104 1.00 0.95 H new ATOM 0 HD2 ARG A 96 1.007 -6.332 -8.896 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.316 -5.460 -7.408 1.00 0.63 H new ATOM 0 HE ARG A 96 3.458 -4.649 -8.474 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.783 -5.840 -10.450 1.00 2.57 H new ATOM 0 HH12 ARG A 96 1.253 -4.889 -11.862 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.049 -3.428 -10.294 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.091 -3.531 -11.775 1.00 2.99 H new ATOM 1525 N PHE A 97 6.040 -7.666 -7.734 1.00 0.27 N ATOM 1526 CA PHE A 97 6.903 -7.135 -6.695 1.00 0.31 C ATOM 1527 C PHE A 97 7.934 -6.169 -7.262 1.00 0.25 C ATOM 1528 O PHE A 97 7.972 -4.998 -6.880 1.00 0.22 O ATOM 1529 CB PHE A 97 7.597 -8.278 -5.950 1.00 0.45 C ATOM 1530 CG PHE A 97 7.930 -7.967 -4.517 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.769 -6.910 -4.206 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.402 -8.726 -3.484 1.00 1.29 C ATOM 1533 CE1 PHE A 97 9.075 -6.615 -2.892 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.706 -8.435 -2.168 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.548 -7.406 -1.867 1.00 0.67 C ATOM 0 H PHE A 97 6.117 -8.673 -7.876 1.00 0.27 H new ATOM 0 HA PHE A 97 6.279 -6.579 -5.995 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.955 -9.158 -5.979 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.516 -8.536 -6.477 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.189 -6.310 -5.000 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.746 -9.554 -3.710 1.00 1.29 H new ATOM 0 HE1 PHE A 97 9.717 -5.779 -2.658 1.00 0.92 H new ATOM 0 HE2 PHE A 97 7.274 -9.026 -1.374 1.00 1.39 H new ATOM 0 HZ PHE A 97 8.807 -7.202 -0.839 1.00 0.67 H new ATOM 1545 N ASN A 98 8.769 -6.653 -8.176 1.00 0.28 N ATOM 1546 CA ASN A 98 9.794 -5.807 -8.767 1.00 0.26 C ATOM 1547 C ASN A 98 9.165 -4.714 -9.612 1.00 0.21 C ATOM 1548 O ASN A 98 9.779 -3.679 -9.861 1.00 0.21 O ATOM 1549 CB ASN A 98 10.761 -6.637 -9.613 1.00 0.34 C ATOM 1550 CG ASN A 98 10.048 -7.475 -10.654 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.680 -8.621 -10.398 1.00 1.03 O ATOM 1552 ND2 ASN A 98 9.851 -6.908 -11.839 1.00 1.22 N ATOM 0 H ASN A 98 8.756 -7.614 -8.518 1.00 0.28 H new ATOM 0 HA ASN A 98 10.355 -5.341 -7.957 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.468 -5.972 -10.109 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.341 -7.290 -8.961 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.378 -7.426 -12.580 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.173 -5.955 -12.008 1.00 1.22 H new ATOM 1559 N ASN A 99 7.929 -4.937 -10.037 1.00 0.18 N ATOM 1560 CA ASN A 99 7.236 -3.962 -10.858 1.00 0.20 C ATOM 1561 C ASN A 99 6.690 -2.816 -10.019 1.00 0.19 C ATOM 1562 O ASN A 99 6.874 -1.650 -10.368 1.00 0.24 O ATOM 1563 CB ASN A 99 6.106 -4.626 -11.647 1.00 0.22 C ATOM 1564 CG ASN A 99 6.594 -5.262 -12.934 1.00 0.63 C ATOM 1565 OD1 ASN A 99 7.731 -5.726 -13.020 1.00 1.41 O ATOM 1566 ND2 ASN A 99 5.735 -5.284 -13.948 1.00 1.14 N ATOM 0 H ASN A 99 7.392 -5.778 -9.827 1.00 0.18 H new ATOM 0 HA ASN A 99 7.960 -3.550 -11.561 1.00 0.20 H new ATOM 0 HB2 ASN A 99 5.632 -5.386 -11.027 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.343 -3.883 -11.879 1.00 0.22 H new ATOM 0 HD21 ASN A 99 6.009 -5.697 -14.840 1.00 1.14 H new ATOM 0 HD22 ASN A 99 4.802 -4.888 -13.834 1.00 1.14 H new ATOM 1573 N PHE A 100 6.038 -3.132 -8.903 1.00 0.18 N ATOM 1574 CA PHE A 100 5.480 -2.084 -8.064 1.00 0.23 C ATOM 1575 C PHE A 100 6.592 -1.348 -7.339 1.00 0.18 C ATOM 1576 O PHE A 100 6.478 -0.155 -7.081 1.00 0.21 O ATOM 1577 CB PHE A 100 4.437 -2.639 -7.077 1.00 0.38 C ATOM 1578 CG PHE A 100 4.988 -3.062 -5.742 1.00 1.36 C ATOM 1579 CD1 PHE A 100 5.169 -2.136 -4.730 1.00 1.99 C ATOM 1580 CD2 PHE A 100 5.317 -4.384 -5.498 1.00 2.09 C ATOM 1581 CE1 PHE A 100 5.671 -2.518 -3.505 1.00 2.95 C ATOM 1582 CE2 PHE A 100 5.820 -4.772 -4.271 1.00 3.08 C ATOM 1583 CZ PHE A 100 5.997 -3.838 -3.273 1.00 3.43 C ATOM 0 H PHE A 100 5.887 -4.083 -8.567 1.00 0.18 H new ATOM 0 HA PHE A 100 4.959 -1.375 -8.707 1.00 0.23 H new ATOM 0 HB2 PHE A 100 3.673 -1.879 -6.914 1.00 0.38 H new ATOM 0 HB3 PHE A 100 3.943 -3.495 -7.537 1.00 0.38 H new ATOM 0 HD1 PHE A 100 4.914 -1.101 -4.902 1.00 1.99 H new ATOM 0 HD2 PHE A 100 5.179 -5.121 -6.276 1.00 2.09 H new ATOM 0 HE1 PHE A 100 5.809 -1.783 -2.726 1.00 2.95 H new ATOM 0 HE2 PHE A 100 6.074 -5.807 -4.094 1.00 3.08 H new ATOM 0 HZ PHE A 100 6.390 -4.139 -2.313 1.00 3.43 H new ATOM 1593 N LEU A 101 7.681 -2.054 -7.037 1.00 0.18 N ATOM 1594 CA LEU A 101 8.801 -1.433 -6.346 1.00 0.21 C ATOM 1595 C LEU A 101 9.602 -0.566 -7.296 1.00 0.20 C ATOM 1596 O LEU A 101 9.927 0.572 -6.972 1.00 0.21 O ATOM 1597 CB LEU A 101 9.711 -2.490 -5.712 1.00 0.28 C ATOM 1598 CG LEU A 101 10.825 -1.975 -4.774 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.489 -0.613 -4.174 1.00 0.92 C ATOM 1600 CD2 LEU A 101 11.049 -2.998 -3.672 1.00 0.92 C ATOM 0 H LEU A 101 7.808 -3.042 -7.258 1.00 0.18 H new ATOM 0 HA LEU A 101 8.394 -0.805 -5.553 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.086 -3.183 -5.149 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.179 -3.061 -6.514 1.00 0.28 H new ATOM 0 HG LEU A 101 11.735 -1.845 -5.360 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.301 -0.292 -3.522 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.357 0.115 -4.975 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.568 -0.687 -3.596 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.834 -2.646 -3.003 1.00 0.92 H new ATOM 0 HD22 LEU A 101 10.126 -3.134 -3.109 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.348 -3.949 -4.113 1.00 0.92 H new ATOM 1612 N LYS A 102 9.909 -1.087 -8.478 1.00 0.20 N ATOM 1613 CA LYS A 102 10.690 -0.316 -9.426 1.00 0.23 C ATOM 1614 C LYS A 102 9.868 0.814 -10.017 1.00 0.22 C ATOM 1615 O LYS A 102 10.422 1.821 -10.445 1.00 0.26 O ATOM 1616 CB LYS A 102 11.261 -1.206 -10.534 1.00 0.27 C ATOM 1617 CG LYS A 102 12.324 -2.195 -10.060 1.00 0.28 C ATOM 1618 CD LYS A 102 13.340 -1.558 -9.114 1.00 0.33 C ATOM 1619 CE LYS A 102 13.961 -0.299 -9.704 1.00 1.44 C ATOM 1620 NZ LYS A 102 14.619 -0.559 -11.013 1.00 2.40 N ATOM 0 H LYS A 102 9.635 -2.017 -8.794 1.00 0.20 H new ATOM 0 HA LYS A 102 11.528 0.120 -8.882 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.444 -1.762 -10.995 1.00 0.27 H new ATOM 0 HB3 LYS A 102 11.692 -0.571 -11.308 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.838 -3.031 -9.556 1.00 0.28 H new ATOM 0 HG3 LYS A 102 12.846 -2.604 -10.925 1.00 0.28 H new ATOM 0 HD2 LYS A 102 12.852 -1.313 -8.170 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.126 -2.278 -8.889 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.189 0.460 -9.831 1.00 1.44 H new ATOM 0 HE3 LYS A 102 14.693 0.105 -9.005 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 15.129 0.294 -11.321 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.291 -1.347 -10.913 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 13.898 -0.806 -11.721 1.00 2.40 H new ATOM 1634 N ALA A 103 8.550 0.654 -10.036 1.00 0.19 N ATOM 1635 CA ALA A 103 7.686 1.695 -10.569 1.00 0.21 C ATOM 1636 C ALA A 103 7.455 2.787 -9.537 1.00 0.18 C ATOM 1637 O ALA A 103 7.532 3.977 -9.853 1.00 0.20 O ATOM 1638 CB ALA A 103 6.361 1.117 -11.040 1.00 0.24 C ATOM 0 H ALA A 103 8.064 -0.175 -9.693 1.00 0.19 H new ATOM 0 HA ALA A 103 8.188 2.137 -11.430 1.00 0.21 H new ATOM 0 HB1 ALA A 103 5.734 1.917 -11.434 1.00 0.24 H new ATOM 0 HB2 ALA A 103 6.543 0.380 -11.822 1.00 0.24 H new ATOM 0 HB3 ALA A 103 5.854 0.638 -10.202 1.00 0.24 H new ATOM 1644 N LEU A 104 7.186 2.391 -8.298 1.00 0.16 N ATOM 1645 CA LEU A 104 6.954 3.368 -7.252 1.00 0.16 C ATOM 1646 C LEU A 104 8.237 4.138 -6.982 1.00 0.16 C ATOM 1647 O LEU A 104 8.219 5.352 -6.781 1.00 0.16 O ATOM 1648 CB LEU A 104 6.444 2.696 -5.966 1.00 0.19 C ATOM 1649 CG LEU A 104 7.464 1.842 -5.193 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.337 2.703 -4.296 1.00 0.23 C ATOM 1651 CD2 LEU A 104 6.749 0.792 -4.361 1.00 0.24 C ATOM 0 H LEU A 104 7.125 1.417 -8.001 1.00 0.16 H new ATOM 0 HA LEU A 104 6.183 4.061 -7.587 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.072 3.473 -5.298 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.594 2.064 -6.224 1.00 0.19 H new ATOM 0 HG LEU A 104 8.106 1.348 -5.923 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.047 2.070 -3.763 1.00 0.23 H new ATOM 0 HD12 LEU A 104 8.880 3.427 -4.903 1.00 0.23 H new ATOM 0 HD13 LEU A 104 7.711 3.231 -3.577 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.483 0.195 -3.820 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.084 1.282 -3.650 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.166 0.144 -5.016 1.00 0.24 H new ATOM 1663 N GLN A 105 9.356 3.420 -7.006 1.00 0.18 N ATOM 1664 CA GLN A 105 10.651 4.021 -6.751 1.00 0.22 C ATOM 1665 C GLN A 105 11.096 4.878 -7.924 1.00 0.24 C ATOM 1666 O GLN A 105 11.525 6.018 -7.731 1.00 0.26 O ATOM 1667 CB GLN A 105 11.663 2.933 -6.405 1.00 0.27 C ATOM 1668 CG GLN A 105 13.082 3.223 -6.838 1.00 0.35 C ATOM 1669 CD GLN A 105 13.985 2.006 -6.742 1.00 1.13 C ATOM 1670 OE1 GLN A 105 15.189 2.128 -6.525 1.00 1.76 O ATOM 1671 NE2 GLN A 105 13.404 0.821 -6.901 1.00 1.92 N ATOM 0 H GLN A 105 9.387 2.419 -7.200 1.00 0.18 H new ATOM 0 HA GLN A 105 10.576 4.691 -5.894 1.00 0.22 H new ATOM 0 HB2 GLN A 105 11.652 2.777 -5.326 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.342 1.999 -6.865 1.00 0.27 H new ATOM 0 HG2 GLN A 105 13.077 3.586 -7.866 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.490 4.023 -6.220 1.00 0.35 H new ATOM 0 HE21 GLN A 105 12.401 0.764 -7.080 1.00 1.92 H new ATOM 0 HE22 GLN A 105 13.961 -0.032 -6.844 1.00 1.92 H new ATOM 1680 N GLU A 106 11.000 4.349 -9.143 1.00 0.25 N ATOM 1681 CA GLU A 106 11.369 5.143 -10.299 1.00 0.29 C ATOM 1682 C GLU A 106 10.544 6.416 -10.262 1.00 0.29 C ATOM 1683 O GLU A 106 10.995 7.480 -10.675 1.00 0.35 O ATOM 1684 CB GLU A 106 11.125 4.393 -11.608 1.00 0.31 C ATOM 1685 CG GLU A 106 9.657 4.199 -11.917 1.00 0.29 C ATOM 1686 CD GLU A 106 9.421 3.538 -13.261 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.501 2.294 -13.334 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.155 4.266 -14.242 1.00 0.41 O ATOM 0 H GLU A 106 10.679 3.402 -9.347 1.00 0.25 H new ATOM 0 HA GLU A 106 12.435 5.365 -10.260 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.593 4.941 -12.426 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.611 3.419 -11.557 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.203 3.592 -11.134 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.156 5.167 -11.900 1.00 0.29 H new ATOM 1695 N LYS A 107 9.321 6.288 -9.742 1.00 0.23 N ATOM 1696 CA LYS A 107 8.428 7.424 -9.611 1.00 0.23 C ATOM 1697 C LYS A 107 9.030 8.447 -8.654 1.00 0.24 C ATOM 1698 O LYS A 107 9.079 9.638 -8.960 1.00 0.30 O ATOM 1699 CB LYS A 107 7.069 6.959 -9.096 1.00 0.22 C ATOM 1700 CG LYS A 107 5.995 8.033 -9.118 1.00 0.62 C ATOM 1701 CD LYS A 107 5.012 7.877 -7.963 1.00 1.05 C ATOM 1702 CE LYS A 107 4.590 6.427 -7.765 1.00 1.11 C ATOM 1703 NZ LYS A 107 4.163 5.791 -9.044 1.00 2.14 N ATOM 0 H LYS A 107 8.934 5.406 -9.407 1.00 0.23 H new ATOM 0 HA LYS A 107 8.294 7.889 -10.588 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.735 6.114 -9.698 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.184 6.597 -8.074 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.463 9.016 -9.066 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.455 7.987 -10.064 1.00 0.62 H new ATOM 0 HD2 LYS A 107 5.468 8.250 -7.046 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.130 8.489 -8.152 1.00 1.05 H new ATOM 0 HE2 LYS A 107 5.419 5.863 -7.339 1.00 1.11 H new ATOM 0 HE3 LYS A 107 3.771 6.382 -7.047 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 3.313 5.215 -8.878 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 3.950 6.529 -9.745 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 4.928 5.184 -9.402 1.00 2.14 H new ATOM 1717 N VAL A 108 9.483 7.979 -7.483 1.00 0.22 N ATOM 1718 CA VAL A 108 10.097 8.875 -6.505 1.00 0.26 C ATOM 1719 C VAL A 108 11.311 9.564 -7.125 1.00 0.33 C ATOM 1720 O VAL A 108 11.690 10.661 -6.719 1.00 0.40 O ATOM 1721 CB VAL A 108 10.526 8.146 -5.200 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.612 6.980 -4.891 1.00 0.22 C ATOM 1723 CG2 VAL A 108 11.981 7.698 -5.259 1.00 0.28 C ATOM 0 H VAL A 108 9.436 7.001 -7.197 1.00 0.22 H new ATOM 0 HA VAL A 108 9.340 9.609 -6.230 1.00 0.26 H new ATOM 0 HB VAL A 108 10.435 8.866 -4.386 1.00 0.26 H new ATOM 0 HG11 VAL A 108 9.941 6.493 -3.973 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.591 7.341 -4.765 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.645 6.264 -5.713 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.244 7.193 -4.330 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.117 7.013 -6.096 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.624 8.568 -5.394 1.00 0.28 H new ATOM 1733 N GLU A 109 11.921 8.897 -8.105 1.00 0.38 N ATOM 1734 CA GLU A 109 13.082 9.444 -8.801 1.00 0.48 C ATOM 1735 C GLU A 109 12.664 10.584 -9.726 1.00 0.45 C ATOM 1736 O GLU A 109 13.205 11.689 -9.653 1.00 0.45 O ATOM 1737 CB GLU A 109 13.779 8.350 -9.613 1.00 0.62 C ATOM 1738 CG GLU A 109 15.034 8.822 -10.326 1.00 1.29 C ATOM 1739 CD GLU A 109 16.090 9.342 -9.371 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.073 10.555 -9.070 1.00 2.41 O ATOM 1741 OE2 GLU A 109 16.935 8.538 -8.924 1.00 1.75 O ATOM 0 H GLU A 109 11.629 7.977 -8.434 1.00 0.38 H new ATOM 0 HA GLU A 109 13.776 9.831 -8.055 1.00 0.48 H new ATOM 0 HB2 GLU A 109 14.038 7.526 -8.948 1.00 0.62 H new ATOM 0 HB3 GLU A 109 13.080 7.956 -10.350 1.00 0.62 H new ATOM 0 HG2 GLU A 109 15.449 7.998 -10.906 1.00 1.29 H new ATOM 0 HG3 GLU A 109 14.771 9.609 -11.033 1.00 1.29 H new ATOM 1748 N ILE A 110 11.695 10.302 -10.593 1.00 0.44 N ATOM 1749 CA ILE A 110 11.186 11.292 -11.538 1.00 0.42 C ATOM 1750 C ILE A 110 10.708 12.544 -10.808 1.00 0.39 C ATOM 1751 O ILE A 110 11.058 13.666 -11.176 1.00 0.45 O ATOM 1752 CB ILE A 110 10.026 10.705 -12.378 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.560 9.917 -13.579 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.081 11.802 -12.851 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.525 8.807 -13.223 1.00 0.55 C ATOM 0 H ILE A 110 11.244 9.390 -10.660 1.00 0.44 H new ATOM 0 HA ILE A 110 12.004 11.563 -12.206 1.00 0.42 H new ATOM 0 HB ILE A 110 9.469 10.023 -11.735 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.717 9.488 -14.120 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.057 10.609 -14.259 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.276 11.360 -13.439 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.660 12.317 -11.987 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.630 12.515 -13.466 1.00 0.42 H new ATOM 0 HD11 ILE A 110 11.852 8.303 -14.133 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.390 9.228 -12.710 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.029 8.090 -12.569 1.00 0.55 H new ATOM 1767 N LYS A 111 9.904 12.338 -9.772 1.00 0.36 N ATOM 1768 CA LYS A 111 9.374 13.438 -8.977 1.00 0.37 C ATOM 1769 C LYS A 111 10.115 13.558 -7.654 1.00 0.40 C ATOM 1770 O LYS A 111 11.218 13.036 -7.497 1.00 0.48 O ATOM 1771 CB LYS A 111 7.886 13.220 -8.701 1.00 0.39 C ATOM 1772 CG LYS A 111 6.972 13.724 -9.804 1.00 0.51 C ATOM 1773 CD LYS A 111 5.640 14.194 -9.243 1.00 0.65 C ATOM 1774 CE LYS A 111 4.819 13.035 -8.698 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.482 13.480 -8.216 1.00 1.28 N ATOM 0 H LYS A 111 9.604 11.414 -9.462 1.00 0.36 H new ATOM 0 HA LYS A 111 9.511 14.358 -9.544 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.707 12.155 -8.553 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.623 13.720 -7.769 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.456 14.544 -10.334 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.803 12.930 -10.531 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.815 14.921 -8.450 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.076 14.704 -10.024 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.692 12.282 -9.476 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.360 12.560 -7.880 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.022 12.702 -7.701 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.596 14.296 -7.581 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 2.893 13.753 -9.029 1.00 1.28 H new ATOM 1789 N GLN A 112 9.504 14.259 -6.709 1.00 0.43 N ATOM 1790 CA GLN A 112 10.087 14.430 -5.389 1.00 0.56 C ATOM 1791 C GLN A 112 9.769 13.223 -4.527 1.00 0.65 C ATOM 1792 O GLN A 112 10.090 12.093 -4.898 1.00 1.51 O ATOM 1793 CB GLN A 112 9.565 15.717 -4.745 1.00 0.66 C ATOM 1794 CG GLN A 112 10.165 16.985 -5.329 1.00 0.69 C ATOM 1795 CD GLN A 112 11.605 17.204 -4.906 1.00 1.29 C ATOM 1796 OE1 GLN A 112 12.351 16.251 -4.676 1.00 2.15 O ATOM 1797 NE2 GLN A 112 12.003 18.465 -4.795 1.00 2.03 N ATOM 0 H GLN A 112 8.602 14.719 -6.834 1.00 0.43 H new ATOM 0 HA GLN A 112 11.170 14.513 -5.481 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.481 15.754 -4.857 1.00 0.66 H new ATOM 0 HB3 GLN A 112 9.774 15.687 -3.676 1.00 0.66 H new ATOM 0 HG2 GLN A 112 10.114 16.938 -6.417 1.00 0.69 H new ATOM 0 HG3 GLN A 112 9.566 17.841 -5.019 1.00 0.69 H new ATOM 0 HE21 GLN A 112 11.352 19.225 -4.995 1.00 2.03 H new ATOM 0 HE22 GLN A 112 12.960 18.675 -4.510 1.00 2.03 H new ATOM 1806 N LEU A 113 9.154 13.457 -3.372 1.00 0.37 N ATOM 1807 CA LEU A 113 8.766 12.371 -2.493 1.00 0.29 C ATOM 1808 C LEU A 113 9.974 11.602 -1.984 1.00 0.30 C ATOM 1809 O LEU A 113 9.838 10.478 -1.504 1.00 0.44 O ATOM 1810 CB LEU A 113 7.837 11.421 -3.234 1.00 0.24 C ATOM 1811 CG LEU A 113 6.499 12.019 -3.654 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.717 12.476 -2.431 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.672 13.169 -4.638 1.00 0.36 C ATOM 0 H LEU A 113 8.916 14.387 -3.028 1.00 0.37 H new ATOM 0 HA LEU A 113 8.254 12.803 -1.633 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.350 11.057 -4.124 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.647 10.555 -2.600 1.00 0.24 H new ATOM 0 HG LEU A 113 5.936 11.238 -4.165 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.764 12.901 -2.746 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.536 11.624 -1.776 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.291 13.231 -1.894 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.694 13.565 -4.910 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.267 13.957 -4.176 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.180 12.809 -5.533 1.00 0.36 H new ATOM 1825 N ASN A 114 11.151 12.199 -2.095 1.00 0.19 N ATOM 1826 CA ASN A 114 12.364 11.542 -1.636 1.00 0.18 C ATOM 1827 C ASN A 114 12.194 11.084 -0.194 1.00 0.16 C ATOM 1828 O ASN A 114 12.760 10.072 0.210 1.00 0.18 O ATOM 1829 CB ASN A 114 13.572 12.471 -1.762 1.00 0.20 C ATOM 1830 CG ASN A 114 13.751 13.009 -3.169 1.00 0.27 C ATOM 1831 OD1 ASN A 114 12.783 13.180 -3.911 1.00 1.10 O ATOM 1832 ND2 ASN A 114 14.995 13.279 -3.545 1.00 1.22 N ATOM 0 H ASN A 114 11.291 13.127 -2.494 1.00 0.19 H new ATOM 0 HA ASN A 114 12.543 10.671 -2.266 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.458 13.305 -1.070 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.472 11.932 -1.466 1.00 0.20 H new ATOM 0 HD21 ASN A 114 15.178 13.643 -4.480 1.00 1.22 H new ATOM 0 HD22 ASN A 114 15.768 13.123 -2.899 1.00 1.22 H new ATOM 1839 N HIS A 115 11.402 11.836 0.574 1.00 0.16 N ATOM 1840 CA HIS A 115 11.133 11.489 1.966 1.00 0.14 C ATOM 1841 C HIS A 115 10.528 10.094 2.034 1.00 0.13 C ATOM 1842 O HIS A 115 10.910 9.271 2.873 1.00 0.12 O ATOM 1843 CB HIS A 115 10.184 12.507 2.597 1.00 0.15 C ATOM 1844 CG HIS A 115 10.700 13.911 2.559 1.00 0.28 C ATOM 1845 ND1 HIS A 115 10.461 14.774 1.509 1.00 1.33 N ATOM 1846 CD2 HIS A 115 11.445 14.606 3.451 1.00 0.92 C ATOM 1847 CE1 HIS A 115 11.038 15.937 1.756 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.640 15.861 2.929 1.00 0.51 N ATOM 0 H HIS A 115 10.938 12.686 0.254 1.00 0.16 H new ATOM 0 HA HIS A 115 12.070 11.503 2.523 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.225 12.467 2.080 1.00 0.15 H new ATOM 0 HB3 HIS A 115 9.999 12.225 3.633 1.00 0.15 H new ATOM 0 HD2 HIS A 115 11.817 14.241 4.397 1.00 0.92 H new ATOM 0 HE1 HIS A 115 11.020 16.802 1.109 1.00 1.14 H new ATOM 0 HE2 HIS A 115 12.165 16.613 3.375 1.00 0.51 H new ATOM 1857 N PHE A 116 9.566 9.837 1.153 1.00 0.13 N ATOM 1858 CA PHE A 116 8.949 8.527 1.086 1.00 0.13 C ATOM 1859 C PHE A 116 10.054 7.498 0.925 1.00 0.12 C ATOM 1860 O PHE A 116 10.165 6.554 1.707 1.00 0.16 O ATOM 1861 CB PHE A 116 7.956 8.456 -0.082 1.00 0.15 C ATOM 1862 CG PHE A 116 7.647 7.059 -0.550 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.289 6.078 0.360 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.713 6.727 -1.895 1.00 0.73 C ATOM 1865 CE1 PHE A 116 7.004 4.794 -0.060 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.428 5.445 -2.320 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.083 4.484 -1.428 1.00 0.21 C ATOM 0 H PHE A 116 9.203 10.515 0.483 1.00 0.13 H new ATOM 0 HA PHE A 116 8.386 8.327 1.998 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.026 8.940 0.217 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.357 9.027 -0.920 1.00 0.15 H new ATOM 0 HD1 PHE A 116 7.232 6.320 1.411 1.00 0.73 H new ATOM 0 HD2 PHE A 116 7.990 7.480 -2.618 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.723 4.036 0.656 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.480 5.205 -3.372 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.869 3.482 -1.769 1.00 0.21 H new ATOM 1877 N TRP A 117 10.893 7.717 -0.080 1.00 0.14 N ATOM 1878 CA TRP A 117 12.018 6.837 -0.328 1.00 0.15 C ATOM 1879 C TRP A 117 12.812 6.650 0.959 1.00 0.15 C ATOM 1880 O TRP A 117 13.204 5.536 1.293 1.00 0.19 O ATOM 1881 CB TRP A 117 12.907 7.411 -1.438 1.00 0.19 C ATOM 1882 CG TRP A 117 14.241 6.734 -1.555 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.431 7.177 -1.057 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.520 5.493 -2.217 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.432 6.291 -1.366 1.00 0.60 N ATOM 1886 CE2 TRP A 117 15.899 5.249 -2.077 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.739 4.565 -2.911 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.513 4.115 -2.607 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.350 3.442 -3.436 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.725 3.226 -3.282 1.00 0.92 C ATOM 0 H TRP A 117 10.812 8.496 -0.733 1.00 0.14 H new ATOM 0 HA TRP A 117 11.651 5.865 -0.658 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.383 7.328 -2.390 1.00 0.19 H new ATOM 0 HB3 TRP A 117 13.064 8.474 -1.252 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.566 8.093 -0.500 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.414 6.392 -1.108 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.678 4.722 -3.035 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.573 3.945 -2.488 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.756 2.718 -3.975 1.00 0.88 H new ATOM 0 HH2 TRP A 117 16.172 2.339 -3.705 1.00 0.92 H new ATOM 1901 N GLU A 118 13.000 7.748 1.699 1.00 0.14 N ATOM 1902 CA GLU A 118 13.749 7.716 2.954 1.00 0.15 C ATOM 1903 C GLU A 118 13.200 6.655 3.903 1.00 0.14 C ATOM 1904 O GLU A 118 13.938 5.769 4.337 1.00 0.17 O ATOM 1905 CB GLU A 118 13.724 9.081 3.653 1.00 0.17 C ATOM 1906 CG GLU A 118 14.338 10.210 2.842 1.00 0.20 C ATOM 1907 CD GLU A 118 15.746 9.896 2.376 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.695 10.156 3.144 1.00 0.86 O ATOM 1909 OE2 GLU A 118 15.896 9.392 1.244 1.00 0.64 O ATOM 0 H GLU A 118 12.642 8.670 1.448 1.00 0.14 H new ATOM 0 HA GLU A 118 14.779 7.465 2.700 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.691 9.338 3.887 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.255 9.000 4.602 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.709 10.413 1.975 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.353 11.118 3.444 1.00 0.20 H new ATOM 1916 N ILE A 119 11.908 6.734 4.229 1.00 0.11 N ATOM 1917 CA ILE A 119 11.327 5.752 5.143 1.00 0.13 C ATOM 1918 C ILE A 119 11.462 4.343 4.585 1.00 0.14 C ATOM 1919 O ILE A 119 11.685 3.398 5.342 1.00 0.19 O ATOM 1920 CB ILE A 119 9.854 6.042 5.494 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.959 5.920 4.261 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.727 7.421 6.125 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.518 6.296 4.516 1.00 0.14 C ATOM 0 H ILE A 119 11.262 7.445 3.886 1.00 0.11 H new ATOM 0 HA ILE A 119 11.896 5.832 6.069 1.00 0.13 H new ATOM 0 HB ILE A 119 9.520 5.298 6.217 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.357 6.556 3.470 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.998 4.894 3.895 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.682 7.615 6.369 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.325 7.461 7.035 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.082 8.176 5.424 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.945 6.185 3.596 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.102 5.644 5.284 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.466 7.331 4.853 1.00 0.14 H new ATOM 1935 N VAL A 120 11.338 4.185 3.264 1.00 0.13 N ATOM 1936 CA VAL A 120 11.488 2.855 2.683 1.00 0.20 C ATOM 1937 C VAL A 120 12.909 2.340 2.933 1.00 0.21 C ATOM 1938 O VAL A 120 13.108 1.145 3.133 1.00 0.25 O ATOM 1939 CB VAL A 120 11.136 2.781 1.173 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.415 4.025 0.704 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.367 2.526 0.328 1.00 0.76 C ATOM 0 H VAL A 120 11.141 4.934 2.600 1.00 0.13 H new ATOM 0 HA VAL A 120 10.762 2.214 3.183 1.00 0.20 H new ATOM 0 HB VAL A 120 10.459 1.936 1.047 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.186 3.934 -0.358 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.489 4.142 1.266 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.050 4.896 0.865 1.00 0.82 H new ATOM 0 HG21 VAL A 120 12.083 2.480 -0.723 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.084 3.334 0.476 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.821 1.580 0.623 1.00 0.76 H new ATOM 1951 N VAL A 121 13.902 3.245 2.923 1.00 0.20 N ATOM 1952 CA VAL A 121 15.281 2.836 3.200 1.00 0.24 C ATOM 1953 C VAL A 121 15.380 2.428 4.662 1.00 0.26 C ATOM 1954 O VAL A 121 16.098 1.494 5.022 1.00 0.31 O ATOM 1955 CB VAL A 121 16.331 3.944 2.902 1.00 0.25 C ATOM 1956 CG1 VAL A 121 15.810 4.946 1.893 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.778 4.649 4.173 1.00 0.26 C ATOM 0 H VAL A 121 13.778 4.239 2.731 1.00 0.20 H new ATOM 0 HA VAL A 121 15.512 2.005 2.533 1.00 0.24 H new ATOM 0 HB VAL A 121 17.200 3.449 2.469 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.570 5.706 1.709 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.575 4.434 0.960 1.00 0.24 H new ATOM 0 HG13 VAL A 121 14.910 5.421 2.283 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.511 5.416 3.925 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.917 5.112 4.654 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.227 3.924 4.852 1.00 0.26 H new ATOM 1967 N GLN A 122 14.639 3.151 5.494 1.00 0.25 N ATOM 1968 CA GLN A 122 14.594 2.892 6.922 1.00 0.30 C ATOM 1969 C GLN A 122 13.802 1.617 7.193 1.00 0.35 C ATOM 1970 O GLN A 122 13.930 1.000 8.252 1.00 0.44 O ATOM 1971 CB GLN A 122 13.959 4.092 7.633 1.00 0.29 C ATOM 1972 CG GLN A 122 13.586 3.824 9.078 1.00 0.44 C ATOM 1973 CD GLN A 122 13.326 5.096 9.862 1.00 1.27 C ATOM 1974 OE1 GLN A 122 12.892 6.105 9.304 1.00 1.92 O ATOM 1975 NE2 GLN A 122 13.593 5.056 11.162 1.00 2.12 N ATOM 0 H GLN A 122 14.054 3.931 5.195 1.00 0.25 H new ATOM 0 HA GLN A 122 15.605 2.752 7.305 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.653 4.932 7.597 1.00 0.29 H new ATOM 0 HB3 GLN A 122 13.065 4.394 7.087 1.00 0.29 H new ATOM 0 HG2 GLN A 122 12.696 3.195 9.108 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.389 3.264 9.558 1.00 0.44 H new ATOM 0 HE21 GLN A 122 13.951 4.199 11.583 1.00 2.12 H new ATOM 0 HE22 GLN A 122 13.440 5.882 11.740 1.00 2.12 H new ATOM 1984 N ASP A 123 12.987 1.230 6.217 1.00 0.31 N ATOM 1985 CA ASP A 123 12.164 0.031 6.326 1.00 0.37 C ATOM 1986 C ASP A 123 12.664 -1.074 5.396 1.00 0.40 C ATOM 1987 O ASP A 123 12.132 -2.186 5.405 1.00 0.45 O ATOM 1988 CB ASP A 123 10.709 0.370 5.991 1.00 0.35 C ATOM 1989 CG ASP A 123 10.018 1.128 7.109 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.484 0.472 8.028 1.00 0.86 O ATOM 1991 OD2 ASP A 123 10.009 2.375 7.066 1.00 0.71 O ATOM 0 H ASP A 123 12.879 1.733 5.336 1.00 0.31 H new ATOM 0 HA ASP A 123 12.231 -0.333 7.351 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.679 0.966 5.079 1.00 0.35 H new ATOM 0 HB3 ASP A 123 10.162 -0.551 5.788 1.00 0.35 H new ATOM 1996 N GLY A 124 13.686 -0.768 4.598 1.00 0.38 N ATOM 1997 CA GLY A 124 14.217 -1.751 3.666 1.00 0.43 C ATOM 1998 C GLY A 124 13.155 -2.207 2.690 1.00 0.44 C ATOM 1999 O GLY A 124 12.692 -3.347 2.751 1.00 0.55 O ATOM 0 H GLY A 124 14.154 0.138 4.580 1.00 0.38 H new ATOM 0 HA2 GLY A 124 15.057 -1.322 3.120 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.601 -2.609 4.218 1.00 0.43 H new ATOM 2003 N ILE A 125 12.771 -1.315 1.781 1.00 0.40 N ATOM 2004 CA ILE A 125 11.726 -1.611 0.809 1.00 0.44 C ATOM 2005 C ILE A 125 12.181 -1.351 -0.630 1.00 0.45 C ATOM 2006 O ILE A 125 11.550 -0.581 -1.353 1.00 0.48 O ATOM 2007 CB ILE A 125 10.479 -0.746 1.098 1.00 0.47 C ATOM 2008 CG1 ILE A 125 10.170 -0.729 2.600 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.274 -1.238 0.312 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.789 -2.083 3.165 1.00 0.49 C ATOM 0 H ILE A 125 13.170 -0.380 1.698 1.00 0.40 H new ATOM 0 HA ILE A 125 11.491 -2.671 0.906 1.00 0.44 H new ATOM 0 HB ILE A 125 10.697 0.272 0.776 1.00 0.47 H new ATOM 0 HG12 ILE A 125 11.042 -0.355 3.136 1.00 0.58 H new ATOM 0 HG13 ILE A 125 9.357 -0.027 2.786 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.412 -0.610 0.536 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.491 -1.189 -0.755 1.00 0.68 H new ATOM 0 HG23 ILE A 125 9.054 -2.269 0.591 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.586 -1.988 4.232 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.898 -2.451 2.657 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.609 -2.785 3.013 1.00 0.49 H new ATOM 2022 N THR A 126 13.282 -1.974 -1.050 1.00 0.45 N ATOM 2023 CA THR A 126 13.759 -1.790 -2.419 1.00 0.47 C ATOM 2024 C THR A 126 14.363 -3.068 -3.003 1.00 0.48 C ATOM 2025 O THR A 126 14.988 -3.856 -2.295 1.00 0.57 O ATOM 2026 CB THR A 126 14.774 -0.650 -2.534 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.398 0.436 -1.676 1.00 0.55 O ATOM 2028 CG2 THR A 126 14.845 -0.166 -3.970 1.00 0.53 C ATOM 0 H THR A 126 13.849 -2.597 -0.476 1.00 0.45 H new ATOM 0 HA THR A 126 12.874 -1.528 -2.999 1.00 0.47 H new ATOM 0 HB THR A 126 15.753 -1.020 -2.229 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.529 1.285 -2.147 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.569 0.645 -4.045 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.153 -0.988 -4.616 1.00 0.53 H new ATOM 0 HG23 THR A 126 13.864 0.193 -4.282 1.00 0.53 H new ATOM 2036 N LEU A 127 14.164 -3.240 -4.314 1.00 0.47 N ATOM 2037 CA LEU A 127 14.645 -4.402 -5.072 1.00 0.48 C ATOM 2038 C LEU A 127 14.167 -5.715 -4.450 1.00 0.46 C ATOM 2039 O LEU A 127 13.799 -5.764 -3.277 1.00 0.52 O ATOM 2040 CB LEU A 127 16.177 -4.396 -5.225 1.00 0.52 C ATOM 2041 CG LEU A 127 16.982 -5.131 -4.148 1.00 0.66 C ATOM 2042 CD1 LEU A 127 17.018 -6.624 -4.413 1.00 1.29 C ATOM 2043 CD2 LEU A 127 18.399 -4.612 -4.104 1.00 1.19 C ATOM 0 H LEU A 127 13.657 -2.566 -4.888 1.00 0.47 H new ATOM 0 HA LEU A 127 14.215 -4.325 -6.070 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.424 -4.835 -6.192 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.512 -3.359 -5.251 1.00 0.52 H new ATOM 0 HG LEU A 127 16.490 -4.950 -3.192 1.00 0.66 H new ATOM 0 HD11 LEU A 127 17.596 -7.118 -3.632 1.00 1.29 H new ATOM 0 HD12 LEU A 127 16.002 -7.018 -4.416 1.00 1.29 H new ATOM 0 HD13 LEU A 127 17.482 -6.811 -5.381 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.958 -5.144 -3.334 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.875 -4.770 -5.072 1.00 1.19 H new ATOM 0 HD23 LEU A 127 18.389 -3.547 -3.874 1.00 1.19 H new