USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 705 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 56 LYS NZ :NH3+ 145:sc= -0.3 (180deg=-1.4!) USER MOD Set 1.2: B 75 ASN : amide:sc= 0.129 K(o=-0.17,f=-2.1) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 151:sc= 0.939 (180deg=0.395) USER MOD Set 2.2: B 65 ASN : amide:sc= -1.15 K(o=-0.21,f=-2.2!) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0.263 (180deg=0.256) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 40 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.7) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 47 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -50:sc= -0.0486 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0737 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 65 ASN : amide:sc= 0.024 X(o=0.024,f=0.0064) USER MOD Single : A 66 GLN : amide:sc= -0.072 K(o=-0.072,f=-1.2) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 0.13 (180deg=0.0846) USER MOD Single : B 33 LYS NZ :NH3+ -142:sc= -3.3! (180deg=-4.63!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN :FLIP amide:sc= -0.0316 F(o=-1.4!,f=-0.032) USER MOD Single : B 40 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.35) USER MOD Single : B 45 LYS NZ :NH3+ -174:sc= 0.246 (180deg=0.236) USER MOD Single : B 46 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.094) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 79:sc= -3.04! USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot 166:sc= -0.439 USER MOD Single : B 59 SER OG : rot 180:sc= 0.116 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : B 66 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.46) USER MOD Single : B 70 ASN : amide:sc= -0.0175 K(o=-0.018,f=-0.99) USER MOD Single : B 73 LYS NZ :NH3+ -130:sc= -0.377 (180deg=-2.07) USER MOD ----------------------------------------------------------------- ATOM 518 N ILE A 34 0.828 12.581 -3.902 1.00 0.64 N ATOM 519 CA ILE A 34 0.843 11.161 -3.593 1.00 0.59 C ATOM 520 C ILE A 34 0.801 10.339 -4.877 1.00 0.52 C ATOM 521 O ILE A 34 -0.196 10.345 -5.598 1.00 0.59 O ATOM 522 CB ILE A 34 -0.344 10.781 -2.686 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.195 11.450 -1.321 1.00 1.10 C ATOM 524 CG2 ILE A 34 -0.443 9.274 -2.528 1.00 1.06 C ATOM 525 CD1 ILE A 34 -1.224 12.527 -1.058 1.00 1.67 C ATOM 0 HA ILE A 34 1.768 10.942 -3.059 1.00 0.59 H new ATOM 0 HB ILE A 34 -1.263 11.134 -3.155 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.270 10.690 -0.543 1.00 1.10 H new ATOM 0 HG13 ILE A 34 0.801 11.885 -1.246 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -1.288 9.030 -1.884 1.00 1.06 H new ATOM 0 HG22 ILE A 34 -0.588 8.814 -3.506 1.00 1.06 H new ATOM 0 HG23 ILE A 34 0.476 8.894 -2.081 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -1.056 12.957 -0.071 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -1.135 13.307 -1.814 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -2.223 12.094 -1.100 1.00 1.67 H new ATOM 537 N LYS A 35 1.899 9.648 -5.165 1.00 0.50 N ATOM 538 CA LYS A 35 1.995 8.835 -6.373 1.00 0.49 C ATOM 539 C LYS A 35 2.191 7.361 -6.038 1.00 0.44 C ATOM 540 O LYS A 35 3.029 7.009 -5.208 1.00 0.47 O ATOM 541 CB LYS A 35 3.160 9.320 -7.245 1.00 0.59 C ATOM 542 CG LYS A 35 3.598 10.746 -6.953 1.00 0.92 C ATOM 543 CD LYS A 35 3.956 11.491 -8.227 1.00 1.10 C ATOM 544 CE LYS A 35 2.715 12.009 -8.935 1.00 1.08 C ATOM 545 NZ LYS A 35 3.057 12.813 -10.140 1.00 1.27 N ATOM 0 H LYS A 35 2.734 9.634 -4.580 1.00 0.50 H new ATOM 0 HA LYS A 35 1.058 8.942 -6.919 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.010 8.653 -7.102 1.00 0.59 H new ATOM 0 HB3 LYS A 35 2.871 9.247 -8.293 1.00 0.59 H new ATOM 0 HG2 LYS A 35 2.798 11.274 -6.434 1.00 0.92 H new ATOM 0 HG3 LYS A 35 4.458 10.734 -6.284 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.616 12.325 -7.989 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.508 10.829 -8.894 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.086 11.168 -9.227 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.132 12.619 -8.245 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 2.184 13.090 -10.632 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.578 13.666 -9.852 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.649 12.245 -10.780 1.00 1.27 H new ATOM 559 N ARG A 36 1.426 6.501 -6.704 1.00 0.52 N ATOM 560 CA ARG A 36 1.532 5.061 -6.493 1.00 0.53 C ATOM 561 C ARG A 36 2.686 4.507 -7.318 1.00 0.56 C ATOM 562 O ARG A 36 3.247 5.216 -8.154 1.00 0.76 O ATOM 563 CB ARG A 36 0.227 4.365 -6.879 1.00 0.64 C ATOM 564 CG ARG A 36 -0.937 4.708 -5.965 1.00 1.17 C ATOM 565 CD ARG A 36 -1.746 5.870 -6.510 1.00 1.51 C ATOM 566 NE ARG A 36 -2.233 5.607 -7.859 1.00 2.02 N ATOM 567 CZ ARG A 36 -2.935 6.482 -8.570 1.00 2.75 C ATOM 568 NH1 ARG A 36 -3.229 7.669 -8.060 1.00 2.99 N ATOM 569 NH2 ARG A 36 -3.345 6.169 -9.790 1.00 3.65 N ATOM 0 H ARG A 36 0.727 6.776 -7.394 1.00 0.52 H new ATOM 0 HA ARG A 36 1.722 4.872 -5.436 1.00 0.53 H new ATOM 0 HB2 ARG A 36 -0.032 4.638 -7.902 1.00 0.64 H new ATOM 0 HB3 ARG A 36 0.383 3.286 -6.867 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.581 3.836 -5.851 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.561 4.958 -4.973 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.591 6.065 -5.850 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -1.131 6.770 -6.515 1.00 1.51 H new ATOM 0 HE ARG A 36 -2.023 4.702 -8.280 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -2.916 7.912 -7.120 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -3.768 8.340 -8.607 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -3.122 5.255 -10.184 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -3.884 6.842 -10.335 1.00 3.65 H new ATOM 583 N VAL A 37 3.052 3.250 -7.087 1.00 0.49 N ATOM 584 CA VAL A 37 4.153 2.656 -7.832 1.00 0.56 C ATOM 585 C VAL A 37 3.954 1.161 -8.090 1.00 0.53 C ATOM 586 O VAL A 37 4.310 0.671 -9.157 1.00 0.55 O ATOM 587 CB VAL A 37 5.503 2.900 -7.117 1.00 0.69 C ATOM 588 CG1 VAL A 37 5.795 1.817 -6.090 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.632 2.997 -8.131 1.00 1.26 C ATOM 0 H VAL A 37 2.611 2.634 -6.403 1.00 0.49 H new ATOM 0 HA VAL A 37 4.169 3.152 -8.803 1.00 0.56 H new ATOM 0 HB VAL A 37 5.430 3.848 -6.584 1.00 0.69 H new ATOM 0 HG11 VAL A 37 6.751 2.021 -5.608 1.00 1.04 H new ATOM 0 HG12 VAL A 37 5.005 1.805 -5.339 1.00 1.04 H new ATOM 0 HG13 VAL A 37 5.839 0.847 -6.586 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.574 3.169 -7.611 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.694 2.067 -8.697 1.00 1.26 H new ATOM 0 HG23 VAL A 37 6.438 3.825 -8.813 1.00 1.26 H new ATOM 599 N ASN A 38 3.389 0.440 -7.120 1.00 0.55 N ATOM 600 CA ASN A 38 3.161 -1.001 -7.269 1.00 0.56 C ATOM 601 C ASN A 38 4.474 -1.731 -7.558 1.00 0.49 C ATOM 602 O ASN A 38 4.995 -1.675 -8.672 1.00 0.57 O ATOM 603 CB ASN A 38 2.155 -1.271 -8.391 1.00 0.74 C ATOM 604 CG ASN A 38 1.917 -2.752 -8.610 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.646 -3.406 -9.356 1.00 1.53 O ATOM 606 ND2 ASN A 38 0.891 -3.289 -7.961 1.00 1.00 N ATOM 0 H ASN A 38 3.082 0.826 -6.227 1.00 0.55 H new ATOM 0 HA ASN A 38 2.753 -1.377 -6.331 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.209 -0.785 -8.152 1.00 0.74 H new ATOM 0 HB3 ASN A 38 2.518 -0.823 -9.316 1.00 0.74 H new ATOM 0 HD21 ASN A 38 0.681 -4.281 -8.071 1.00 1.00 H new ATOM 0 HD22 ASN A 38 0.313 -2.710 -7.353 1.00 1.00 H new ATOM 613 N VAL A 39 5.011 -2.408 -6.547 1.00 0.41 N ATOM 614 CA VAL A 39 6.273 -3.127 -6.703 1.00 0.44 C ATOM 615 C VAL A 39 6.101 -4.635 -6.555 1.00 0.42 C ATOM 616 O VAL A 39 5.038 -5.123 -6.170 1.00 0.48 O ATOM 617 CB VAL A 39 7.318 -2.653 -5.676 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.719 -2.746 -6.262 1.00 1.24 C ATOM 619 CG2 VAL A 39 7.019 -1.236 -5.215 1.00 0.63 C ATOM 0 H VAL A 39 4.596 -2.474 -5.617 1.00 0.41 H new ATOM 0 HA VAL A 39 6.619 -2.908 -7.713 1.00 0.44 H new ATOM 0 HB VAL A 39 7.265 -3.308 -4.806 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.446 -2.407 -5.523 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.932 -3.780 -6.533 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.784 -2.117 -7.150 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.770 -0.923 -4.490 1.00 0.63 H new ATOM 0 HG22 VAL A 39 7.039 -0.563 -6.072 1.00 0.63 H new ATOM 0 HG23 VAL A 39 6.033 -1.205 -4.752 1.00 0.63 H new ATOM 629 N ASN A 40 7.174 -5.363 -6.862 1.00 0.46 N ATOM 630 CA ASN A 40 7.185 -6.817 -6.767 1.00 0.51 C ATOM 631 C ASN A 40 8.162 -7.267 -5.686 1.00 0.44 C ATOM 632 O ASN A 40 9.349 -6.941 -5.740 1.00 0.56 O ATOM 633 CB ASN A 40 7.584 -7.431 -8.111 1.00 0.67 C ATOM 634 CG ASN A 40 6.492 -8.298 -8.704 1.00 1.45 C ATOM 635 OD1 ASN A 40 5.930 -9.158 -8.027 1.00 2.02 O ATOM 636 ND2 ASN A 40 6.189 -8.077 -9.977 1.00 2.13 N ATOM 0 H ASN A 40 8.055 -4.961 -7.182 1.00 0.46 H new ATOM 0 HA ASN A 40 6.183 -7.155 -6.504 1.00 0.51 H new ATOM 0 HB2 ASN A 40 7.830 -6.633 -8.812 1.00 0.67 H new ATOM 0 HB3 ASN A 40 8.486 -8.029 -7.979 1.00 0.67 H new ATOM 0 HD21 ASN A 40 5.464 -8.631 -10.432 1.00 2.13 H new ATOM 0 HD22 ASN A 40 6.681 -7.353 -10.500 1.00 2.13 H new ATOM 643 N PHE A 41 7.664 -8.009 -4.703 1.00 0.40 N ATOM 644 CA PHE A 41 8.505 -8.490 -3.612 1.00 0.45 C ATOM 645 C PHE A 41 8.623 -10.008 -3.629 1.00 0.45 C ATOM 646 O PHE A 41 7.628 -10.719 -3.760 1.00 0.56 O ATOM 647 CB PHE A 41 7.946 -8.027 -2.264 1.00 0.62 C ATOM 648 CG PHE A 41 7.943 -6.534 -2.086 1.00 0.54 C ATOM 649 CD1 PHE A 41 8.980 -5.756 -2.578 1.00 0.98 C ATOM 650 CD2 PHE A 41 6.902 -5.910 -1.421 1.00 1.14 C ATOM 651 CE1 PHE A 41 8.975 -4.386 -2.412 1.00 1.10 C ATOM 652 CE2 PHE A 41 6.892 -4.539 -1.251 1.00 1.16 C ATOM 653 CZ PHE A 41 7.930 -3.775 -1.746 1.00 0.75 C ATOM 0 H PHE A 41 6.686 -8.290 -4.639 1.00 0.40 H new ATOM 0 HA PHE A 41 9.501 -8.069 -3.752 1.00 0.45 H new ATOM 0 HB2 PHE A 41 6.926 -8.398 -2.158 1.00 0.62 H new ATOM 0 HB3 PHE A 41 8.534 -8.477 -1.464 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.801 -6.228 -3.097 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.088 -6.502 -1.030 1.00 1.14 H new ATOM 0 HE1 PHE A 41 9.788 -3.792 -2.803 1.00 1.10 H new ATOM 0 HE2 PHE A 41 6.073 -4.065 -0.731 1.00 1.16 H new ATOM 0 HZ PHE A 41 7.925 -2.703 -1.613 1.00 0.75 H new ATOM 663 N ASP A 42 9.850 -10.495 -3.485 1.00 0.45 N ATOM 664 CA ASP A 42 10.110 -11.928 -3.472 1.00 0.47 C ATOM 665 C ASP A 42 9.409 -12.586 -2.286 1.00 0.40 C ATOM 666 O ASP A 42 9.111 -11.924 -1.292 1.00 0.35 O ATOM 667 CB ASP A 42 11.619 -12.184 -3.407 1.00 0.62 C ATOM 668 CG ASP A 42 11.956 -13.645 -3.192 1.00 0.70 C ATOM 669 OD1 ASP A 42 11.554 -14.477 -4.030 1.00 1.35 O ATOM 670 OD2 ASP A 42 12.625 -13.955 -2.185 1.00 1.38 O ATOM 0 H ASP A 42 10.682 -9.916 -3.375 1.00 0.45 H new ATOM 0 HA ASP A 42 9.717 -12.365 -4.390 1.00 0.47 H new ATOM 0 HB2 ASP A 42 12.082 -11.841 -4.333 1.00 0.62 H new ATOM 0 HB3 ASP A 42 12.049 -11.593 -2.598 1.00 0.62 H new ATOM 675 N GLU A 43 9.148 -13.887 -2.395 1.00 0.46 N ATOM 676 CA GLU A 43 8.481 -14.626 -1.326 1.00 0.48 C ATOM 677 C GLU A 43 9.217 -14.439 -0.005 1.00 0.40 C ATOM 678 O GLU A 43 8.598 -14.278 1.045 1.00 0.42 O ATOM 679 CB GLU A 43 8.410 -16.116 -1.671 1.00 0.65 C ATOM 680 CG GLU A 43 6.992 -16.658 -1.739 1.00 1.08 C ATOM 681 CD GLU A 43 6.359 -16.823 -0.373 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.520 -17.905 0.230 1.00 1.45 O ATOM 683 OE2 GLU A 43 5.701 -15.871 0.095 1.00 1.28 O ATOM 0 H GLU A 43 9.388 -14.450 -3.211 1.00 0.46 H new ATOM 0 HA GLU A 43 7.469 -14.235 -1.224 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.900 -16.282 -2.631 1.00 0.65 H new ATOM 0 HB3 GLU A 43 8.970 -16.680 -0.925 1.00 0.65 H new ATOM 0 HG2 GLU A 43 6.379 -15.985 -2.339 1.00 1.08 H new ATOM 0 HG3 GLU A 43 7.000 -17.621 -2.249 1.00 1.08 H new ATOM 690 N GLU A 44 10.541 -14.460 -0.073 1.00 0.38 N ATOM 691 CA GLU A 44 11.376 -14.293 1.108 1.00 0.42 C ATOM 692 C GLU A 44 11.265 -12.874 1.658 1.00 0.37 C ATOM 693 O GLU A 44 11.279 -12.663 2.871 1.00 0.43 O ATOM 694 CB GLU A 44 12.834 -14.608 0.765 1.00 0.52 C ATOM 695 CG GLU A 44 13.799 -14.386 1.916 1.00 0.60 C ATOM 696 CD GLU A 44 14.215 -15.681 2.582 1.00 1.56 C ATOM 697 OE1 GLU A 44 14.587 -16.627 1.857 1.00 2.34 O ATOM 698 OE2 GLU A 44 14.167 -15.750 3.826 1.00 2.19 O ATOM 0 H GLU A 44 11.062 -14.592 -0.940 1.00 0.38 H new ATOM 0 HA GLU A 44 11.028 -14.985 1.875 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.904 -15.646 0.440 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.141 -13.989 -0.078 1.00 0.52 H new ATOM 0 HG2 GLU A 44 14.685 -13.869 1.548 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.334 -13.734 2.655 1.00 0.60 H new ATOM 705 N LYS A 45 11.160 -11.904 0.755 1.00 0.32 N ATOM 706 CA LYS A 45 11.054 -10.503 1.144 1.00 0.35 C ATOM 707 C LYS A 45 9.688 -10.197 1.751 1.00 0.30 C ATOM 708 O LYS A 45 9.558 -9.301 2.585 1.00 0.35 O ATOM 709 CB LYS A 45 11.298 -9.597 -0.066 1.00 0.39 C ATOM 710 CG LYS A 45 12.736 -9.611 -0.558 1.00 0.56 C ATOM 711 CD LYS A 45 13.488 -8.366 -0.114 1.00 0.68 C ATOM 712 CE LYS A 45 14.213 -7.706 -1.276 1.00 1.04 C ATOM 713 NZ LYS A 45 15.204 -8.621 -1.909 1.00 1.09 N ATOM 0 H LYS A 45 11.146 -12.063 -0.252 1.00 0.32 H new ATOM 0 HA LYS A 45 11.815 -10.309 1.900 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.642 -9.907 -0.879 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.022 -8.575 0.195 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.243 -10.498 -0.179 1.00 0.56 H new ATOM 0 HG3 LYS A 45 12.749 -9.677 -1.646 1.00 0.56 H new ATOM 0 HD2 LYS A 45 12.789 -7.657 0.329 1.00 0.68 H new ATOM 0 HD3 LYS A 45 14.207 -8.632 0.661 1.00 0.68 H new ATOM 0 HE2 LYS A 45 13.486 -7.387 -2.023 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.722 -6.809 -0.923 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 15.310 -8.376 -2.914 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 16.122 -8.523 -1.430 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 14.873 -9.603 -1.825 1.00 1.09 H new ATOM 727 N HIS A 46 8.670 -10.939 1.323 1.00 0.28 N ATOM 728 CA HIS A 46 7.315 -10.736 1.823 1.00 0.31 C ATOM 729 C HIS A 46 7.109 -11.426 3.166 1.00 0.32 C ATOM 730 O HIS A 46 6.455 -10.883 4.057 1.00 0.34 O ATOM 731 CB HIS A 46 6.287 -11.245 0.811 1.00 0.38 C ATOM 732 CG HIS A 46 4.995 -10.491 0.853 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.810 -11.049 1.282 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.707 -9.209 0.525 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.850 -10.144 1.217 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.369 -9.018 0.761 1.00 0.58 N ATOM 0 H HIS A 46 8.758 -11.685 0.633 1.00 0.28 H new ATOM 0 HA HIS A 46 7.174 -9.665 1.966 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.709 -11.175 -0.192 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.091 -12.300 1.002 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.402 -8.473 0.148 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.817 -10.298 1.490 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.858 -8.148 0.609 1.00 0.58 H new ATOM 745 N THR A 47 7.669 -12.623 3.310 1.00 0.33 N ATOM 746 CA THR A 47 7.542 -13.376 4.552 1.00 0.40 C ATOM 747 C THR A 47 8.168 -12.612 5.710 1.00 0.39 C ATOM 748 O THR A 47 7.600 -12.540 6.800 1.00 0.43 O ATOM 749 CB THR A 47 8.202 -14.763 4.448 1.00 0.47 C ATOM 750 OG1 THR A 47 7.774 -15.424 3.251 1.00 0.72 O ATOM 751 CG2 THR A 47 7.848 -15.618 5.655 1.00 0.60 C ATOM 0 H THR A 47 8.213 -13.091 2.585 1.00 0.33 H new ATOM 0 HA THR A 47 6.476 -13.511 4.734 1.00 0.40 H new ATOM 0 HB THR A 47 9.283 -14.625 4.419 1.00 0.47 H new ATOM 0 HG1 THR A 47 8.351 -15.157 2.505 1.00 0.72 H new ATOM 0 HG21 THR A 47 8.324 -16.594 5.562 1.00 0.60 H new ATOM 0 HG22 THR A 47 8.199 -15.128 6.563 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.767 -15.745 5.706 1.00 0.60 H new ATOM 759 N ARG A 48 9.341 -12.036 5.464 1.00 0.35 N ATOM 760 CA ARG A 48 10.042 -11.269 6.484 1.00 0.38 C ATOM 761 C ARG A 48 9.435 -9.877 6.614 1.00 0.34 C ATOM 762 O ARG A 48 9.672 -9.174 7.595 1.00 0.38 O ATOM 763 CB ARG A 48 11.530 -11.166 6.147 1.00 0.42 C ATOM 764 CG ARG A 48 12.425 -11.157 7.375 1.00 0.73 C ATOM 765 CD ARG A 48 13.786 -10.556 7.067 1.00 0.80 C ATOM 766 NE ARG A 48 14.713 -11.546 6.529 1.00 0.90 N ATOM 767 CZ ARG A 48 15.377 -12.417 7.280 1.00 1.43 C ATOM 768 NH1 ARG A 48 15.214 -12.427 8.596 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.207 -13.282 6.715 1.00 1.87 N ATOM 0 H ARG A 48 9.824 -12.087 4.567 1.00 0.35 H new ATOM 0 HA ARG A 48 9.935 -11.787 7.437 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.810 -12.004 5.508 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.703 -10.256 5.573 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.946 -10.587 8.171 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.550 -12.175 7.743 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.669 -9.742 6.351 1.00 0.80 H new ATOM 0 HD3 ARG A 48 14.205 -10.123 7.976 1.00 0.80 H new ATOM 0 HE ARG A 48 14.859 -11.570 5.520 1.00 0.90 H new ATOM 0 HH11 ARG A 48 14.576 -11.764 9.036 1.00 1.83 H new ATOM 0 HH12 ARG A 48 15.726 -13.098 9.168 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.336 -13.279 5.703 1.00 1.87 H new ATOM 0 HH22 ARG A 48 16.717 -13.951 7.292 1.00 1.87 H new ATOM 783 N PHE A 49 8.643 -9.490 5.619 1.00 0.32 N ATOM 784 CA PHE A 49 7.992 -8.186 5.622 1.00 0.32 C ATOM 785 C PHE A 49 6.892 -8.143 6.676 1.00 0.36 C ATOM 786 O PHE A 49 6.803 -7.198 7.457 1.00 0.39 O ATOM 787 CB PHE A 49 7.405 -7.884 4.242 1.00 0.33 C ATOM 788 CG PHE A 49 7.720 -6.504 3.730 1.00 0.39 C ATOM 789 CD1 PHE A 49 9.023 -6.031 3.722 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.711 -5.685 3.251 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.313 -4.766 3.245 1.00 0.94 C ATOM 792 CE2 PHE A 49 6.994 -4.419 2.774 1.00 0.92 C ATOM 793 CZ PHE A 49 8.297 -3.960 2.771 1.00 0.67 C ATOM 0 H PHE A 49 8.437 -10.062 4.800 1.00 0.32 H new ATOM 0 HA PHE A 49 8.738 -7.428 5.863 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.781 -8.619 3.530 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.323 -8.006 4.284 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.821 -6.658 4.093 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.691 -6.040 3.250 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.332 -4.409 3.243 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.198 -3.790 2.404 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.521 -2.971 2.398 1.00 0.67 H new ATOM 803 N LYS A 50 6.057 -9.178 6.691 1.00 0.39 N ATOM 804 CA LYS A 50 4.961 -9.263 7.649 1.00 0.45 C ATOM 805 C LYS A 50 5.485 -9.576 9.046 1.00 0.42 C ATOM 806 O LYS A 50 4.954 -9.088 10.043 1.00 0.42 O ATOM 807 CB LYS A 50 3.961 -10.337 7.220 1.00 0.54 C ATOM 808 CG LYS A 50 3.419 -10.141 5.814 1.00 0.93 C ATOM 809 CD LYS A 50 1.926 -10.420 5.750 1.00 1.47 C ATOM 810 CE LYS A 50 1.644 -11.902 5.572 1.00 1.37 C ATOM 811 NZ LYS A 50 1.102 -12.517 6.815 1.00 2.17 N ATOM 0 H LYS A 50 6.119 -9.969 6.050 1.00 0.39 H new ATOM 0 HA LYS A 50 4.459 -8.296 7.673 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.441 -11.313 7.282 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.128 -10.347 7.923 1.00 0.54 H new ATOM 0 HG2 LYS A 50 3.614 -9.120 5.487 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.944 -10.802 5.125 1.00 0.93 H new ATOM 0 HD2 LYS A 50 1.449 -10.065 6.663 1.00 1.47 H new ATOM 0 HD3 LYS A 50 1.486 -9.863 4.923 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.932 -12.041 4.758 1.00 1.37 H new ATOM 0 HE3 LYS A 50 2.562 -12.414 5.284 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 0.923 -13.528 6.652 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 1.791 -12.407 7.586 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 0.213 -12.046 7.076 1.00 2.17 H new ATOM 825 N ALA A 51 6.528 -10.396 9.110 1.00 0.43 N ATOM 826 CA ALA A 51 7.121 -10.776 10.386 1.00 0.46 C ATOM 827 C ALA A 51 7.774 -9.577 11.067 1.00 0.44 C ATOM 828 O ALA A 51 7.505 -9.292 12.234 1.00 0.47 O ATOM 829 CB ALA A 51 8.137 -11.889 10.183 1.00 0.53 C ATOM 0 H ALA A 51 6.980 -10.810 8.294 1.00 0.43 H new ATOM 0 HA ALA A 51 6.325 -11.139 11.036 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.573 -12.164 11.144 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.643 -12.757 9.747 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.925 -11.545 9.513 1.00 0.53 H new ATOM 835 N ALA A 52 8.637 -8.884 10.331 1.00 0.46 N ATOM 836 CA ALA A 52 9.334 -7.718 10.862 1.00 0.53 C ATOM 837 C ALA A 52 8.363 -6.591 11.194 1.00 0.53 C ATOM 838 O ALA A 52 8.473 -5.956 12.244 1.00 0.65 O ATOM 839 CB ALA A 52 10.384 -7.235 9.874 1.00 0.58 C ATOM 0 H ALA A 52 8.871 -9.110 9.364 1.00 0.46 H new ATOM 0 HA ALA A 52 9.827 -8.017 11.787 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.896 -6.364 10.284 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.108 -8.030 9.694 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.902 -6.964 8.935 1.00 0.58 H new ATOM 845 N CYS A 53 7.415 -6.344 10.294 1.00 0.48 N ATOM 846 CA CYS A 53 6.429 -5.287 10.498 1.00 0.56 C ATOM 847 C CYS A 53 5.568 -5.575 11.723 1.00 0.49 C ATOM 848 O CYS A 53 5.195 -4.662 12.458 1.00 0.53 O ATOM 849 CB CYS A 53 5.549 -5.127 9.253 1.00 0.68 C ATOM 850 SG CYS A 53 4.009 -6.072 9.297 1.00 1.29 S ATOM 0 H CYS A 53 7.309 -6.859 9.420 1.00 0.48 H new ATOM 0 HA CYS A 53 6.964 -4.353 10.670 1.00 0.56 H new ATOM 0 HB2 CYS A 53 5.309 -4.071 9.126 1.00 0.68 H new ATOM 0 HB3 CYS A 53 6.122 -5.431 8.377 1.00 0.68 H new ATOM 0 HG CYS A 53 4.267 -7.307 9.609 1.00 1.29 H new ATOM 856 N ALA A 54 5.259 -6.848 11.941 1.00 0.45 N ATOM 857 CA ALA A 54 4.446 -7.251 13.082 1.00 0.52 C ATOM 858 C ALA A 54 5.199 -7.034 14.390 1.00 0.53 C ATOM 859 O ALA A 54 4.593 -6.880 15.451 1.00 0.63 O ATOM 860 CB ALA A 54 4.030 -8.708 12.946 1.00 0.63 C ATOM 0 H ALA A 54 5.559 -7.618 11.343 1.00 0.45 H new ATOM 0 HA ALA A 54 3.550 -6.630 13.098 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.424 -8.995 13.805 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.449 -8.837 12.033 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.919 -9.338 12.903 1.00 0.63 H new ATOM 866 N ARG A 55 6.526 -7.022 14.304 1.00 0.53 N ATOM 867 CA ARG A 55 7.371 -6.827 15.477 1.00 0.66 C ATOM 868 C ARG A 55 7.474 -5.350 15.844 1.00 0.65 C ATOM 869 O ARG A 55 7.418 -4.987 17.018 1.00 0.75 O ATOM 870 CB ARG A 55 8.769 -7.389 15.219 1.00 0.77 C ATOM 871 CG ARG A 55 8.847 -8.902 15.320 1.00 1.38 C ATOM 872 CD ARG A 55 10.186 -9.420 14.828 1.00 1.87 C ATOM 873 NE ARG A 55 11.304 -8.810 15.543 1.00 2.37 N ATOM 874 CZ ARG A 55 12.480 -9.402 15.712 1.00 2.79 C ATOM 875 NH1 ARG A 55 12.693 -10.613 15.218 1.00 2.91 N ATOM 876 NH2 ARG A 55 13.446 -8.784 16.376 1.00 3.58 N ATOM 0 H ARG A 55 7.040 -7.145 13.432 1.00 0.53 H new ATOM 0 HA ARG A 55 6.912 -7.359 16.311 1.00 0.66 H new ATOM 0 HB2 ARG A 55 9.096 -7.083 14.225 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.465 -6.950 15.934 1.00 0.77 H new ATOM 0 HG2 ARG A 55 8.695 -9.208 16.355 1.00 1.38 H new ATOM 0 HG3 ARG A 55 8.044 -9.349 14.734 1.00 1.38 H new ATOM 0 HD2 ARG A 55 10.224 -10.502 14.952 1.00 1.87 H new ATOM 0 HD3 ARG A 55 10.284 -9.217 13.761 1.00 1.87 H new ATOM 0 HE ARG A 55 11.174 -7.877 15.934 1.00 2.37 H new ATOM 0 HH11 ARG A 55 11.952 -11.093 14.706 1.00 2.91 H new ATOM 0 HH12 ARG A 55 13.598 -11.066 15.349 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.287 -7.852 16.758 1.00 3.58 H new ATOM 0 HH22 ARG A 55 14.349 -9.240 16.505 1.00 3.58 H new ATOM 890 N LYS A 56 7.635 -4.504 14.832 1.00 0.59 N ATOM 891 CA LYS A 56 7.758 -3.065 15.048 1.00 0.64 C ATOM 892 C LYS A 56 6.387 -2.400 15.120 1.00 0.54 C ATOM 893 O LYS A 56 6.287 -1.191 15.332 1.00 0.67 O ATOM 894 CB LYS A 56 8.584 -2.430 13.929 1.00 0.71 C ATOM 895 CG LYS A 56 9.948 -3.073 13.738 1.00 1.15 C ATOM 896 CD LYS A 56 10.469 -2.861 12.327 1.00 1.46 C ATOM 897 CE LYS A 56 11.595 -1.840 12.298 1.00 2.01 C ATOM 898 NZ LYS A 56 12.661 -2.161 13.287 1.00 2.32 N ATOM 0 H LYS A 56 7.683 -4.789 13.854 1.00 0.59 H new ATOM 0 HA LYS A 56 8.265 -2.911 16.001 1.00 0.64 H new ATOM 0 HB2 LYS A 56 8.026 -2.497 12.995 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.719 -1.370 14.145 1.00 0.71 H new ATOM 0 HG2 LYS A 56 10.653 -2.653 14.455 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.881 -4.141 13.946 1.00 1.15 H new ATOM 0 HD2 LYS A 56 10.825 -3.809 11.923 1.00 1.46 H new ATOM 0 HD3 LYS A 56 9.655 -2.526 11.684 1.00 1.46 H new ATOM 0 HE2 LYS A 56 12.027 -1.804 11.298 1.00 2.01 H new ATOM 0 HE3 LYS A 56 11.192 -0.849 12.507 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.587 -1.891 12.899 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.488 -1.635 14.167 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.653 -3.182 13.487 1.00 2.32 H new ATOM 912 N GLY A 57 5.336 -3.193 14.940 1.00 0.48 N ATOM 913 CA GLY A 57 3.989 -2.656 14.986 1.00 0.47 C ATOM 914 C GLY A 57 3.749 -1.624 13.901 1.00 0.51 C ATOM 915 O GLY A 57 3.234 -0.538 14.168 1.00 0.58 O ATOM 0 H GLY A 57 5.393 -4.196 14.763 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.271 -3.469 14.878 1.00 0.47 H new ATOM 0 HA3 GLY A 57 3.813 -2.203 15.962 1.00 0.47 H new ATOM 919 N THR A 58 4.132 -1.966 12.676 1.00 0.59 N ATOM 920 CA THR A 58 3.968 -1.068 11.540 1.00 0.73 C ATOM 921 C THR A 58 3.173 -1.730 10.422 1.00 0.56 C ATOM 922 O THR A 58 3.330 -2.922 10.156 1.00 0.53 O ATOM 923 CB THR A 58 5.335 -0.627 10.982 1.00 1.06 C ATOM 924 OG1 THR A 58 6.202 -0.247 12.056 1.00 2.01 O ATOM 925 CG2 THR A 58 5.179 0.536 10.015 1.00 0.61 C ATOM 0 H THR A 58 4.560 -2.862 12.444 1.00 0.59 H new ATOM 0 HA THR A 58 3.423 -0.196 11.901 1.00 0.73 H new ATOM 0 HB THR A 58 5.770 -1.469 10.443 1.00 1.06 H new ATOM 0 HG1 THR A 58 7.069 0.030 11.694 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.158 0.828 9.636 1.00 0.61 H new ATOM 0 HG22 THR A 58 4.543 0.234 9.183 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.724 1.381 10.532 1.00 0.61 H new ATOM 933 N SER A 59 2.322 -0.948 9.765 1.00 0.55 N ATOM 934 CA SER A 59 1.507 -1.457 8.668 1.00 0.50 C ATOM 935 C SER A 59 2.390 -1.852 7.490 1.00 0.44 C ATOM 936 O SER A 59 3.395 -1.197 7.217 1.00 0.43 O ATOM 937 CB SER A 59 0.488 -0.405 8.229 1.00 0.61 C ATOM 938 OG SER A 59 0.246 0.532 9.263 1.00 0.72 O ATOM 0 H SER A 59 2.179 0.040 9.973 1.00 0.55 H new ATOM 0 HA SER A 59 0.972 -2.340 9.017 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.854 0.113 7.343 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.446 -0.893 7.950 1.00 0.61 H new ATOM 0 HG SER A 59 -0.408 1.195 8.957 1.00 0.72 H new ATOM 944 N ILE A 60 2.015 -2.927 6.802 1.00 0.46 N ATOM 945 CA ILE A 60 2.783 -3.411 5.659 1.00 0.50 C ATOM 946 C ILE A 60 3.027 -2.301 4.638 1.00 0.47 C ATOM 947 O ILE A 60 4.065 -2.274 3.975 1.00 0.50 O ATOM 948 CB ILE A 60 2.077 -4.598 4.972 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.011 -5.259 3.956 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.789 -4.146 4.298 1.00 1.01 C ATOM 951 CD1 ILE A 60 2.982 -6.770 4.006 1.00 0.96 C ATOM 0 H ILE A 60 1.184 -3.479 7.016 1.00 0.46 H new ATOM 0 HA ILE A 60 3.745 -3.748 6.045 1.00 0.50 H new ATOM 0 HB ILE A 60 1.820 -5.331 5.736 1.00 0.61 H new ATOM 0 HG12 ILE A 60 2.736 -4.931 2.954 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.030 -4.917 4.135 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.309 -5.000 3.820 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.117 -3.723 5.044 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.018 -3.391 3.546 1.00 1.01 H new ATOM 0 HD11 ILE A 60 3.667 -7.172 3.260 1.00 0.96 H new ATOM 0 HD12 ILE A 60 3.286 -7.107 4.997 1.00 0.96 H new ATOM 0 HD13 ILE A 60 1.972 -7.122 3.798 1.00 0.96 H new ATOM 963 N THR A 61 2.070 -1.385 4.520 1.00 0.45 N ATOM 964 CA THR A 61 2.188 -0.274 3.585 1.00 0.45 C ATOM 965 C THR A 61 3.163 0.775 4.107 1.00 0.42 C ATOM 966 O THR A 61 3.957 1.333 3.348 1.00 0.41 O ATOM 967 CB THR A 61 0.826 0.392 3.327 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.227 -0.563 3.494 1.00 0.68 O ATOM 969 CG2 THR A 61 0.767 0.978 1.924 1.00 0.77 C ATOM 0 H THR A 61 1.205 -1.391 5.061 1.00 0.45 H new ATOM 0 HA THR A 61 2.563 -0.686 2.648 1.00 0.45 H new ATOM 0 HB THR A 61 0.700 1.200 4.048 1.00 0.51 H new ATOM 0 HG1 THR A 61 -1.091 -0.130 3.330 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.206 1.444 1.765 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.551 1.727 1.809 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.913 0.184 1.192 1.00 0.77 H new ATOM 977 N ASP A 62 3.098 1.035 5.409 1.00 0.42 N ATOM 978 CA ASP A 62 3.978 2.015 6.037 1.00 0.42 C ATOM 979 C ASP A 62 5.421 1.524 6.034 1.00 0.36 C ATOM 980 O ASP A 62 6.357 2.322 6.002 1.00 0.35 O ATOM 981 CB ASP A 62 3.523 2.300 7.470 1.00 0.47 C ATOM 982 CG ASP A 62 4.141 3.565 8.031 1.00 0.61 C ATOM 983 OD1 ASP A 62 3.963 4.636 7.414 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.803 3.485 9.087 1.00 1.06 O ATOM 0 H ASP A 62 2.446 0.582 6.049 1.00 0.42 H new ATOM 0 HA ASP A 62 3.925 2.939 5.460 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.437 2.388 7.493 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.788 1.456 8.107 1.00 0.47 H new ATOM 989 N VAL A 63 5.593 0.204 6.060 1.00 0.34 N ATOM 990 CA VAL A 63 6.923 -0.390 6.050 1.00 0.32 C ATOM 991 C VAL A 63 7.657 -0.032 4.766 1.00 0.31 C ATOM 992 O VAL A 63 8.820 0.370 4.796 1.00 0.35 O ATOM 993 CB VAL A 63 6.861 -1.926 6.184 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.253 -2.535 6.092 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.188 -2.320 7.488 1.00 0.66 C ATOM 0 H VAL A 63 4.829 -0.471 6.088 1.00 0.34 H new ATOM 0 HA VAL A 63 7.461 0.013 6.908 1.00 0.32 H new ATOM 0 HB VAL A 63 6.266 -2.316 5.358 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.183 -3.618 6.189 1.00 0.68 H new ATOM 0 HG12 VAL A 63 8.697 -2.285 5.128 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.877 -2.138 6.893 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.153 -3.407 7.566 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.754 -1.914 8.327 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.173 -1.922 7.509 1.00 0.66 H new ATOM 1005 N VAL A 64 6.965 -0.172 3.639 1.00 0.29 N ATOM 1006 CA VAL A 64 7.546 0.144 2.342 1.00 0.29 C ATOM 1007 C VAL A 64 7.964 1.607 2.284 1.00 0.31 C ATOM 1008 O VAL A 64 9.074 1.931 1.867 1.00 0.34 O ATOM 1009 CB VAL A 64 6.566 -0.143 1.187 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.318 -0.290 -0.127 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.741 -1.389 1.478 1.00 0.38 C ATOM 0 H VAL A 64 6.001 -0.503 3.600 1.00 0.29 H new ATOM 0 HA VAL A 64 8.420 -0.497 2.223 1.00 0.29 H new ATOM 0 HB VAL A 64 5.884 0.702 1.098 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.610 -0.492 -0.931 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.858 0.632 -0.342 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.026 -1.115 -0.051 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.056 -1.573 0.650 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.405 -2.245 1.597 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.171 -1.242 2.395 1.00 0.38 H new ATOM 1021 N ASN A 65 7.066 2.487 2.715 1.00 0.32 N ATOM 1022 CA ASN A 65 7.337 3.920 2.722 1.00 0.35 C ATOM 1023 C ASN A 65 8.535 4.239 3.612 1.00 0.38 C ATOM 1024 O ASN A 65 9.206 5.254 3.425 1.00 0.40 O ATOM 1025 CB ASN A 65 6.106 4.687 3.207 1.00 0.40 C ATOM 1026 CG ASN A 65 5.775 5.872 2.323 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.627 6.716 2.052 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.528 5.943 1.870 1.00 0.48 N ATOM 0 H ASN A 65 6.142 2.232 3.065 1.00 0.32 H new ATOM 0 HA ASN A 65 7.571 4.229 1.703 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.251 4.012 3.239 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.277 5.034 4.226 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.246 6.720 1.273 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.853 5.220 2.120 1.00 0.48 H new ATOM 1035 N GLN A 66 8.797 3.363 4.578 1.00 0.39 N ATOM 1036 CA GLN A 66 9.913 3.547 5.499 1.00 0.42 C ATOM 1037 C GLN A 66 11.242 3.261 4.811 1.00 0.40 C ATOM 1038 O GLN A 66 12.152 4.089 4.831 1.00 0.44 O ATOM 1039 CB GLN A 66 9.752 2.638 6.716 1.00 0.44 C ATOM 1040 CG GLN A 66 9.242 3.362 7.949 1.00 0.87 C ATOM 1041 CD GLN A 66 9.504 2.591 9.227 1.00 1.45 C ATOM 1042 OE1 GLN A 66 10.515 1.899 9.353 1.00 2.20 O ATOM 1043 NE2 GLN A 66 8.590 2.705 10.183 1.00 1.61 N ATOM 0 H GLN A 66 8.250 2.518 4.743 1.00 0.39 H new ATOM 0 HA GLN A 66 9.911 4.587 5.826 1.00 0.42 H new ATOM 0 HB2 GLN A 66 9.063 1.830 6.468 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.713 2.178 6.946 1.00 0.44 H new ATOM 0 HG2 GLN A 66 9.719 4.340 8.015 1.00 0.87 H new ATOM 0 HG3 GLN A 66 8.171 3.536 7.847 1.00 0.87 H new ATOM 0 HE21 GLN A 66 7.767 3.290 10.035 1.00 1.61 H new ATOM 0 HE22 GLN A 66 8.710 2.208 11.065 1.00 1.61 H new ATOM 1052 N LEU A 67 11.349 2.082 4.203 1.00 0.36 N ATOM 1053 CA LEU A 67 12.573 1.692 3.509 1.00 0.35 C ATOM 1054 C LEU A 67 12.859 2.642 2.352 1.00 0.31 C ATOM 1055 O LEU A 67 14.017 2.930 2.049 1.00 0.32 O ATOM 1056 CB LEU A 67 12.487 0.249 3.000 1.00 0.38 C ATOM 1057 CG LEU A 67 11.074 -0.323 2.880 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.734 -0.594 1.426 1.00 1.04 C ATOM 1059 CD2 LEU A 67 10.941 -1.593 3.708 1.00 1.01 C ATOM 0 H LEU A 67 10.606 1.383 4.177 1.00 0.36 H new ATOM 0 HA LEU A 67 13.394 1.751 4.224 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.965 0.198 2.022 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.063 -0.389 3.670 1.00 0.38 H new ATOM 0 HG LEU A 67 10.369 0.413 3.266 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.725 -1.001 1.358 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.789 0.336 0.860 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.443 -1.312 1.014 1.00 1.04 H new ATOM 0 HD21 LEU A 67 9.929 -1.986 3.611 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.655 -2.336 3.352 1.00 1.01 H new ATOM 0 HD23 LEU A 67 11.144 -1.368 4.755 1.00 1.01 H new ATOM 1071 N VAL A 68 11.800 3.141 1.720 1.00 0.29 N ATOM 1072 CA VAL A 68 11.951 4.076 0.613 1.00 0.28 C ATOM 1073 C VAL A 68 12.562 5.378 1.114 1.00 0.30 C ATOM 1074 O VAL A 68 13.477 5.924 0.502 1.00 0.32 O ATOM 1075 CB VAL A 68 10.599 4.384 -0.068 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.751 5.498 -1.096 1.00 0.81 C ATOM 1077 CG2 VAL A 68 10.027 3.136 -0.719 1.00 0.69 C ATOM 0 H VAL A 68 10.834 2.914 1.955 1.00 0.29 H new ATOM 0 HA VAL A 68 12.606 3.608 -0.122 1.00 0.28 H new ATOM 0 HB VAL A 68 9.904 4.720 0.701 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.786 5.697 -1.562 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.109 6.402 -0.603 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.467 5.193 -1.860 1.00 0.81 H new ATOM 0 HG21 VAL A 68 9.075 3.376 -1.192 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.723 2.766 -1.472 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.872 2.369 0.039 1.00 0.69 H new ATOM 1087 N ASP A 69 12.047 5.861 2.240 1.00 0.33 N ATOM 1088 CA ASP A 69 12.533 7.095 2.844 1.00 0.39 C ATOM 1089 C ASP A 69 13.984 6.948 3.290 1.00 0.36 C ATOM 1090 O ASP A 69 14.783 7.874 3.157 1.00 0.37 O ATOM 1091 CB ASP A 69 11.655 7.469 4.040 1.00 0.50 C ATOM 1092 CG ASP A 69 11.713 8.947 4.367 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.624 9.767 3.430 1.00 1.11 O ATOM 1094 OD2 ASP A 69 11.847 9.285 5.561 1.00 1.33 O ATOM 0 H ASP A 69 11.289 5.413 2.755 1.00 0.33 H new ATOM 0 HA ASP A 69 12.483 7.887 2.097 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.623 7.187 3.830 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.971 6.895 4.911 1.00 0.50 H new ATOM 1099 N ASN A 70 14.315 5.776 3.822 1.00 0.35 N ATOM 1100 CA ASN A 70 15.667 5.499 4.296 1.00 0.37 C ATOM 1101 C ASN A 70 16.671 5.507 3.147 1.00 0.33 C ATOM 1102 O ASN A 70 17.671 6.221 3.188 1.00 0.40 O ATOM 1103 CB ASN A 70 15.709 4.143 5.002 1.00 0.44 C ATOM 1104 CG ASN A 70 15.873 4.275 6.503 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.930 4.672 6.991 1.00 0.95 O ATOM 1106 ND2 ASN A 70 14.824 3.938 7.243 1.00 1.69 N ATOM 0 H ASN A 70 13.663 5.000 3.936 1.00 0.35 H new ATOM 0 HA ASN A 70 15.942 6.287 4.998 1.00 0.37 H new ATOM 0 HB2 ASN A 70 14.791 3.596 4.787 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.533 3.553 4.600 1.00 0.44 H new ATOM 0 HD21 ASN A 70 14.875 4.003 8.260 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.967 3.614 6.795 1.00 1.69 H new ATOM 1113 N TRP A 71 16.399 4.695 2.134 1.00 0.30 N ATOM 1114 CA TRP A 71 17.278 4.584 0.975 1.00 0.36 C ATOM 1115 C TRP A 71 17.347 5.889 0.185 1.00 0.35 C ATOM 1116 O TRP A 71 18.358 6.181 -0.454 1.00 0.40 O ATOM 1117 CB TRP A 71 16.792 3.454 0.068 1.00 0.42 C ATOM 1118 CG TRP A 71 17.776 3.073 -0.995 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.858 2.253 -0.856 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.765 3.498 -2.362 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.523 2.143 -2.053 1.00 0.72 N ATOM 1122 CE2 TRP A 71 18.871 2.898 -2.993 1.00 0.68 C ATOM 1123 CE3 TRP A 71 16.929 4.328 -3.112 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.160 3.102 -4.339 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.216 4.529 -4.448 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.324 3.918 -5.050 1.00 0.77 C ATOM 0 H TRP A 71 15.572 4.100 2.091 1.00 0.30 H new ATOM 0 HA TRP A 71 18.282 4.365 1.338 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.572 2.578 0.679 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.857 3.755 -0.405 1.00 0.42 H new ATOM 0 HD1 TRP A 71 19.149 1.762 0.061 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.364 1.590 -2.216 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.074 4.804 -2.656 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.014 2.633 -4.805 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 16.576 5.168 -5.038 1.00 0.73 H new ATOM 0 HH2 TRP A 71 18.522 4.095 -6.097 1.00 0.77 H new ATOM 1137 N LEU A 72 16.266 6.664 0.218 1.00 0.36 N ATOM 1138 CA LEU A 72 16.211 7.926 -0.515 1.00 0.42 C ATOM 1139 C LEU A 72 16.842 9.072 0.271 1.00 0.49 C ATOM 1140 O LEU A 72 17.064 10.152 -0.274 1.00 0.61 O ATOM 1141 CB LEU A 72 14.764 8.277 -0.861 1.00 0.45 C ATOM 1142 CG LEU A 72 14.453 8.341 -2.356 1.00 0.42 C ATOM 1143 CD1 LEU A 72 14.484 6.949 -2.966 1.00 1.23 C ATOM 1144 CD2 LEU A 72 13.102 8.996 -2.591 1.00 1.38 C ATOM 0 H LEU A 72 15.420 6.442 0.742 1.00 0.36 H new ATOM 0 HA LEU A 72 16.785 7.791 -1.431 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.107 7.539 -0.400 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.523 9.241 -0.414 1.00 0.45 H new ATOM 0 HG LEU A 72 15.218 8.947 -2.842 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.260 7.013 -4.031 1.00 1.23 H new ATOM 0 HD12 LEU A 72 15.474 6.514 -2.829 1.00 1.23 H new ATOM 0 HD13 LEU A 72 13.740 6.321 -2.476 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.897 9.033 -3.661 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.325 8.416 -2.092 1.00 1.38 H new ATOM 0 HD23 LEU A 72 13.114 10.009 -2.188 1.00 1.38 H new ATOM 1156 N LYS A 73 17.125 8.842 1.547 1.00 0.51 N ATOM 1157 CA LYS A 73 17.726 9.875 2.384 1.00 0.64 C ATOM 1158 C LYS A 73 19.143 9.494 2.797 1.00 0.63 C ATOM 1159 O LYS A 73 19.906 10.333 3.275 1.00 0.74 O ATOM 1160 CB LYS A 73 16.869 10.122 3.626 1.00 0.82 C ATOM 1161 CG LYS A 73 15.639 10.972 3.353 1.00 0.97 C ATOM 1162 CD LYS A 73 14.530 10.683 4.350 1.00 1.32 C ATOM 1163 CE LYS A 73 14.304 11.854 5.290 1.00 1.19 C ATOM 1164 NZ LYS A 73 12.878 12.279 5.311 1.00 1.42 N ATOM 0 H LYS A 73 16.950 7.957 2.023 1.00 0.51 H new ATOM 0 HA LYS A 73 17.775 10.792 1.797 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.554 9.163 4.038 1.00 0.82 H new ATOM 0 HB3 LYS A 73 17.478 10.611 4.387 1.00 0.82 H new ATOM 0 HG2 LYS A 73 15.907 12.027 3.401 1.00 0.97 H new ATOM 0 HG3 LYS A 73 15.280 10.780 2.342 1.00 0.97 H new ATOM 0 HD2 LYS A 73 13.607 10.462 3.814 1.00 1.32 H new ATOM 0 HD3 LYS A 73 14.783 9.795 4.929 1.00 1.32 H new ATOM 0 HE2 LYS A 73 14.615 11.577 6.297 1.00 1.19 H new ATOM 0 HE3 LYS A 73 14.929 12.693 4.983 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.711 12.895 6.132 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.658 12.799 4.438 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 12.267 11.440 5.378 1.00 1.42 H new ATOM 1178 N GLU A 74 19.488 8.225 2.610 1.00 0.60 N ATOM 1179 CA GLU A 74 20.815 7.735 2.963 1.00 0.77 C ATOM 1180 C GLU A 74 21.718 7.672 1.737 1.00 0.85 C ATOM 1181 O GLU A 74 22.912 7.960 1.816 1.00 1.00 O ATOM 1182 CB GLU A 74 20.715 6.350 3.607 1.00 0.93 C ATOM 1183 CG GLU A 74 21.536 6.209 4.878 1.00 1.00 C ATOM 1184 CD GLU A 74 21.174 7.242 5.925 1.00 1.39 C ATOM 1185 OE1 GLU A 74 19.981 7.335 6.279 1.00 2.41 O ATOM 1186 OE2 GLU A 74 22.084 7.960 6.389 1.00 1.30 O ATOM 0 H GLU A 74 18.868 7.517 2.216 1.00 0.60 H new ATOM 0 HA GLU A 74 21.252 8.432 3.678 1.00 0.77 H new ATOM 0 HB2 GLU A 74 19.670 6.139 3.834 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.043 5.600 2.888 1.00 0.93 H new ATOM 0 HG2 GLU A 74 21.389 5.211 5.292 1.00 1.00 H new ATOM 0 HG3 GLU A 74 22.594 6.300 4.634 1.00 1.00 H new ATOM 1719 N LYS B 33 6.699 -17.072 -5.557 1.00 1.35 N ATOM 1720 CA LYS B 33 7.987 -16.393 -5.414 1.00 0.80 C ATOM 1721 C LYS B 33 7.869 -14.875 -5.529 1.00 0.59 C ATOM 1722 O LYS B 33 8.734 -14.149 -5.046 1.00 0.58 O ATOM 1723 CB LYS B 33 8.977 -16.900 -6.459 1.00 1.23 C ATOM 1724 CG LYS B 33 9.290 -18.381 -6.338 1.00 2.23 C ATOM 1725 CD LYS B 33 10.079 -18.683 -5.077 1.00 3.13 C ATOM 1726 CE LYS B 33 9.293 -19.571 -4.129 1.00 4.15 C ATOM 1727 NZ LYS B 33 7.856 -19.187 -4.066 1.00 4.99 N ATOM 0 HA LYS B 33 8.348 -16.624 -4.412 1.00 0.80 H new ATOM 0 HB2 LYS B 33 8.575 -16.703 -7.453 1.00 1.23 H new ATOM 0 HB3 LYS B 33 9.904 -16.334 -6.372 1.00 1.23 H new ATOM 0 HG2 LYS B 33 8.361 -18.951 -6.332 1.00 2.23 H new ATOM 0 HG3 LYS B 33 9.858 -18.706 -7.210 1.00 2.23 H new ATOM 0 HD2 LYS B 33 11.017 -19.171 -5.341 1.00 3.13 H new ATOM 0 HD3 LYS B 33 10.336 -17.750 -4.575 1.00 3.13 H new ATOM 0 HE2 LYS B 33 9.377 -20.609 -4.451 1.00 4.15 H new ATOM 0 HE3 LYS B 33 9.728 -19.511 -3.131 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 7.512 -19.287 -3.090 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 7.747 -18.199 -4.372 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 7.303 -19.806 -4.693 1.00 4.99 H new ATOM 1741 N ILE B 34 6.816 -14.391 -6.176 1.00 0.67 N ATOM 1742 CA ILE B 34 6.639 -12.952 -6.341 1.00 0.59 C ATOM 1743 C ILE B 34 5.305 -12.471 -5.784 1.00 0.57 C ATOM 1744 O ILE B 34 4.282 -13.146 -5.903 1.00 0.68 O ATOM 1745 CB ILE B 34 6.747 -12.533 -7.819 1.00 0.78 C ATOM 1746 CG1 ILE B 34 6.147 -13.607 -8.726 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.199 -12.273 -8.190 1.00 1.45 C ATOM 1748 CD1 ILE B 34 5.083 -13.081 -9.661 1.00 1.92 C ATOM 0 H ILE B 34 6.080 -14.964 -6.590 1.00 0.67 H new ATOM 0 HA ILE B 34 7.444 -12.483 -5.775 1.00 0.59 H new ATOM 0 HB ILE B 34 6.183 -11.611 -7.959 1.00 0.78 H new ATOM 0 HG12 ILE B 34 6.944 -14.061 -9.314 1.00 1.38 H new ATOM 0 HG13 ILE B 34 5.718 -14.396 -8.108 1.00 1.38 H new ATOM 0 HG21 ILE B 34 8.260 -11.978 -9.238 1.00 1.45 H new ATOM 0 HG22 ILE B 34 8.597 -11.474 -7.564 1.00 1.45 H new ATOM 0 HG23 ILE B 34 8.782 -13.181 -8.034 1.00 1.45 H new ATOM 0 HD11 ILE B 34 4.702 -13.897 -10.274 1.00 1.92 H new ATOM 0 HD12 ILE B 34 4.267 -12.653 -9.079 1.00 1.92 H new ATOM 0 HD13 ILE B 34 5.512 -12.313 -10.305 1.00 1.92 H new ATOM 1760 N LYS B 35 5.332 -11.285 -5.184 1.00 0.54 N ATOM 1761 CA LYS B 35 4.142 -10.671 -4.608 1.00 0.58 C ATOM 1762 C LYS B 35 4.014 -9.233 -5.096 1.00 0.59 C ATOM 1763 O LYS B 35 4.983 -8.648 -5.577 1.00 0.67 O ATOM 1764 CB LYS B 35 4.215 -10.701 -3.080 1.00 0.70 C ATOM 1765 CG LYS B 35 3.374 -11.799 -2.450 1.00 0.94 C ATOM 1766 CD LYS B 35 4.056 -13.153 -2.552 1.00 1.25 C ATOM 1767 CE LYS B 35 3.407 -14.172 -1.631 1.00 1.12 C ATOM 1768 NZ LYS B 35 2.529 -15.114 -2.377 1.00 1.30 N ATOM 0 H LYS B 35 6.178 -10.724 -5.084 1.00 0.54 H new ATOM 0 HA LYS B 35 3.266 -11.236 -4.926 1.00 0.58 H new ATOM 0 HB2 LYS B 35 5.254 -10.832 -2.777 1.00 0.70 H new ATOM 0 HB3 LYS B 35 3.889 -9.737 -2.690 1.00 0.70 H new ATOM 0 HG2 LYS B 35 3.190 -11.561 -1.402 1.00 0.94 H new ATOM 0 HG3 LYS B 35 2.403 -11.842 -2.942 1.00 0.94 H new ATOM 0 HD2 LYS B 35 4.009 -13.509 -3.581 1.00 1.25 H new ATOM 0 HD3 LYS B 35 5.111 -13.051 -2.298 1.00 1.25 H new ATOM 0 HE2 LYS B 35 4.181 -14.734 -1.108 1.00 1.12 H new ATOM 0 HE3 LYS B 35 2.821 -13.654 -0.872 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 2.105 -15.793 -1.713 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 1.775 -14.581 -2.855 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 3.092 -15.627 -3.085 1.00 1.30 H new ATOM 1782 N ARG B 36 2.822 -8.665 -4.975 1.00 0.63 N ATOM 1783 CA ARG B 36 2.591 -7.295 -5.414 1.00 0.65 C ATOM 1784 C ARG B 36 2.112 -6.423 -4.261 1.00 0.63 C ATOM 1785 O ARG B 36 1.226 -6.811 -3.500 1.00 0.77 O ATOM 1786 CB ARG B 36 1.569 -7.266 -6.548 1.00 0.72 C ATOM 1787 CG ARG B 36 0.372 -8.166 -6.305 1.00 1.52 C ATOM 1788 CD ARG B 36 0.392 -9.372 -7.226 1.00 1.83 C ATOM 1789 NE ARG B 36 -0.263 -9.093 -8.498 1.00 2.61 N ATOM 1790 CZ ARG B 36 0.389 -8.739 -9.599 1.00 3.31 C ATOM 1791 NH1 ARG B 36 1.710 -8.623 -9.586 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -0.281 -8.500 -10.716 1.00 4.33 N ATOM 0 H ARG B 36 2.004 -9.128 -4.579 1.00 0.63 H new ATOM 0 HA ARG B 36 3.538 -6.895 -5.776 1.00 0.65 H new ATOM 0 HB2 ARG B 36 1.222 -6.242 -6.688 1.00 0.72 H new ATOM 0 HB3 ARG B 36 2.058 -7.566 -7.475 1.00 0.72 H new ATOM 0 HG2 ARG B 36 0.369 -8.499 -5.267 1.00 1.52 H new ATOM 0 HG3 ARG B 36 -0.547 -7.602 -6.461 1.00 1.52 H new ATOM 0 HD2 ARG B 36 1.424 -9.674 -7.407 1.00 1.83 H new ATOM 0 HD3 ARG B 36 -0.105 -10.210 -6.738 1.00 1.83 H new ATOM 0 HE ARG B 36 -1.279 -9.174 -8.545 1.00 2.61 H new ATOM 0 HH11 ARG B 36 2.230 -8.806 -8.728 1.00 3.37 H new ATOM 0 HH12 ARG B 36 2.206 -8.351 -10.434 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -1.297 -8.588 -10.730 1.00 4.33 H new ATOM 0 HH22 ARG B 36 0.219 -8.228 -11.562 1.00 4.33 H new ATOM 1806 N VAL B 37 2.708 -5.242 -4.142 1.00 0.53 N ATOM 1807 CA VAL B 37 2.349 -4.307 -3.085 1.00 0.56 C ATOM 1808 C VAL B 37 2.234 -2.889 -3.631 1.00 0.49 C ATOM 1809 O VAL B 37 3.220 -2.305 -4.081 1.00 0.49 O ATOM 1810 CB VAL B 37 3.384 -4.328 -1.943 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.024 -3.313 -0.868 1.00 0.92 C ATOM 1812 CG2 VAL B 37 3.493 -5.724 -1.349 1.00 1.36 C ATOM 0 H VAL B 37 3.443 -4.910 -4.766 1.00 0.53 H new ATOM 0 HA VAL B 37 1.383 -4.622 -2.691 1.00 0.56 H new ATOM 0 HB VAL B 37 4.354 -4.053 -2.356 1.00 0.71 H new ATOM 0 HG11 VAL B 37 3.768 -3.346 -0.073 1.00 0.92 H new ATOM 0 HG12 VAL B 37 3.002 -2.314 -1.303 1.00 0.92 H new ATOM 0 HG13 VAL B 37 2.043 -3.551 -0.457 1.00 0.92 H new ATOM 0 HG21 VAL B 37 4.228 -5.721 -0.544 1.00 1.36 H new ATOM 0 HG22 VAL B 37 2.524 -6.028 -0.954 1.00 1.36 H new ATOM 0 HG23 VAL B 37 3.805 -6.425 -2.123 1.00 1.36 H new ATOM 1822 N ASN B 38 1.025 -2.342 -3.587 1.00 0.54 N ATOM 1823 CA ASN B 38 0.782 -0.992 -4.074 1.00 0.54 C ATOM 1824 C ASN B 38 1.067 0.033 -2.983 1.00 0.52 C ATOM 1825 O ASN B 38 0.357 0.103 -1.981 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.662 -0.851 -4.558 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.999 0.572 -4.956 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -0.461 1.014 -6.086 1.00 1.67 O flip ATOM 1829 ND2 ASN B 38 -1.731 1.267 -4.255 1.00 1.37 N flip ATOM 0 H ASN B 38 0.199 -2.813 -3.219 1.00 0.54 H new ATOM 0 HA ASN B 38 1.455 -0.807 -4.911 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.824 -1.512 -5.410 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.341 -1.176 -3.769 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -2.123 0.887 -3.394 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -1.946 2.224 -4.535 1.00 1.37 H new ATOM 1836 N VAL B 39 2.114 0.826 -3.182 1.00 0.48 N ATOM 1837 CA VAL B 39 2.494 1.846 -2.215 1.00 0.49 C ATOM 1838 C VAL B 39 2.471 3.230 -2.845 1.00 0.46 C ATOM 1839 O VAL B 39 2.821 3.397 -4.013 1.00 0.48 O ATOM 1840 CB VAL B 39 3.899 1.585 -1.632 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.933 1.929 -0.151 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.322 0.141 -1.859 1.00 0.54 C ATOM 0 H VAL B 39 2.714 0.781 -4.005 1.00 0.48 H new ATOM 0 HA VAL B 39 1.763 1.799 -1.408 1.00 0.49 H new ATOM 0 HB VAL B 39 4.608 2.229 -2.152 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.931 1.739 0.244 1.00 0.77 H new ATOM 0 HG12 VAL B 39 3.684 2.982 -0.016 1.00 0.77 H new ATOM 0 HG13 VAL B 39 3.209 1.313 0.382 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.315 -0.017 -1.439 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.612 -0.527 -1.372 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.343 -0.068 -2.929 1.00 0.54 H new ATOM 1852 N ASN B 40 2.059 4.222 -2.065 1.00 0.52 N ATOM 1853 CA ASN B 40 1.995 5.591 -2.551 1.00 0.57 C ATOM 1854 C ASN B 40 2.964 6.481 -1.783 1.00 0.56 C ATOM 1855 O ASN B 40 2.843 6.650 -0.569 1.00 0.72 O ATOM 1856 CB ASN B 40 0.570 6.135 -2.442 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.030 5.933 -1.066 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -0.005 6.835 -0.229 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.577 4.749 -0.826 1.00 1.99 N ATOM 0 H ASN B 40 1.765 4.103 -1.096 1.00 0.52 H new ATOM 0 HA ASN B 40 2.286 5.593 -3.601 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.573 7.199 -2.680 1.00 0.77 H new ATOM 0 HB3 ASN B 40 -0.060 5.644 -3.184 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.000 4.557 0.082 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -0.575 4.030 -1.550 1.00 1.99 H new ATOM 1866 N PHE B 41 3.933 7.041 -2.499 1.00 0.48 N ATOM 1867 CA PHE B 41 4.935 7.905 -1.890 1.00 0.55 C ATOM 1868 C PHE B 41 4.616 9.375 -2.134 1.00 0.60 C ATOM 1869 O PHE B 41 3.662 9.709 -2.836 1.00 0.76 O ATOM 1870 CB PHE B 41 6.323 7.576 -2.443 1.00 0.66 C ATOM 1871 CG PHE B 41 6.587 6.102 -2.574 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.503 5.269 -1.469 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.916 5.551 -3.801 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.743 3.914 -1.586 1.00 1.08 C ATOM 1875 CE2 PHE B 41 7.157 4.196 -3.924 1.00 1.26 C ATOM 1876 CZ PHE B 41 7.071 3.376 -2.816 1.00 0.93 C ATOM 0 H PHE B 41 4.045 6.911 -3.504 1.00 0.48 H new ATOM 0 HA PHE B 41 4.924 7.726 -0.815 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.435 8.045 -3.421 1.00 0.66 H new ATOM 0 HB3 PHE B 41 7.078 8.015 -1.791 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.247 5.684 -0.506 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.985 6.187 -4.671 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.674 3.276 -0.718 1.00 1.08 H new ATOM 0 HE2 PHE B 41 7.413 3.778 -4.887 1.00 1.26 H new ATOM 0 HZ PHE B 41 7.260 2.317 -2.911 1.00 0.93 H new ATOM 1886 N ASP B 42 5.425 10.246 -1.546 1.00 0.56 N ATOM 1887 CA ASP B 42 5.246 11.685 -1.688 1.00 0.59 C ATOM 1888 C ASP B 42 5.812 12.172 -3.020 1.00 0.54 C ATOM 1889 O ASP B 42 6.671 11.517 -3.613 1.00 0.51 O ATOM 1890 CB ASP B 42 5.929 12.404 -0.522 1.00 0.68 C ATOM 1891 CG ASP B 42 5.921 13.911 -0.672 1.00 1.22 C ATOM 1892 OD1 ASP B 42 4.865 14.468 -1.035 1.00 1.66 O ATOM 1893 OD2 ASP B 42 6.972 14.536 -0.422 1.00 2.03 O ATOM 0 H ASP B 42 6.217 9.979 -0.962 1.00 0.56 H new ATOM 0 HA ASP B 42 4.180 11.911 -1.673 1.00 0.59 H new ATOM 0 HB2 ASP B 42 5.428 12.134 0.408 1.00 0.68 H new ATOM 0 HB3 ASP B 42 6.959 12.058 -0.442 1.00 0.68 H new ATOM 1898 N GLU B 43 5.328 13.324 -3.484 1.00 0.63 N ATOM 1899 CA GLU B 43 5.790 13.900 -4.745 1.00 0.67 C ATOM 1900 C GLU B 43 7.309 14.020 -4.750 1.00 0.56 C ATOM 1901 O GLU B 43 7.965 13.710 -5.744 1.00 0.60 O ATOM 1902 CB GLU B 43 5.163 15.278 -4.964 1.00 0.87 C ATOM 1903 CG GLU B 43 4.292 15.361 -6.206 1.00 1.09 C ATOM 1904 CD GLU B 43 5.098 15.401 -7.491 1.00 1.11 C ATOM 1905 OE1 GLU B 43 6.277 15.809 -7.441 1.00 1.63 O ATOM 1906 OE2 GLU B 43 4.548 15.027 -8.547 1.00 1.73 O ATOM 0 H GLU B 43 4.616 13.876 -3.005 1.00 0.63 H new ATOM 0 HA GLU B 43 5.484 13.238 -5.555 1.00 0.67 H new ATOM 0 HB2 GLU B 43 4.563 15.537 -4.092 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.957 16.021 -5.037 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.621 14.503 -6.231 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.668 16.252 -6.147 1.00 1.09 H new ATOM 1913 N GLU B 44 7.857 14.466 -3.624 1.00 0.52 N ATOM 1914 CA GLU B 44 9.296 14.623 -3.483 1.00 0.54 C ATOM 1915 C GLU B 44 9.987 13.268 -3.559 1.00 0.53 C ATOM 1916 O GLU B 44 11.076 13.144 -4.116 1.00 0.57 O ATOM 1917 CB GLU B 44 9.624 15.302 -2.155 1.00 0.62 C ATOM 1918 CG GLU B 44 11.045 15.828 -2.074 1.00 0.91 C ATOM 1919 CD GLU B 44 11.104 17.263 -1.596 1.00 1.74 C ATOM 1920 OE1 GLU B 44 10.444 17.578 -0.584 1.00 2.36 O ATOM 1921 OE2 GLU B 44 11.807 18.073 -2.235 1.00 2.52 O ATOM 0 H GLU B 44 7.322 14.725 -2.795 1.00 0.52 H new ATOM 0 HA GLU B 44 9.658 15.248 -4.299 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.931 16.128 -1.998 1.00 0.62 H new ATOM 0 HB3 GLU B 44 9.462 14.592 -1.344 1.00 0.62 H new ATOM 0 HG2 GLU B 44 11.624 15.199 -1.398 1.00 0.91 H new ATOM 0 HG3 GLU B 44 11.513 15.756 -3.056 1.00 0.91 H new ATOM 1928 N LYS B 45 9.337 12.253 -2.998 1.00 0.52 N ATOM 1929 CA LYS B 45 9.878 10.902 -3.007 1.00 0.56 C ATOM 1930 C LYS B 45 9.978 10.381 -4.435 1.00 0.55 C ATOM 1931 O LYS B 45 10.874 9.605 -4.762 1.00 0.59 O ATOM 1932 CB LYS B 45 8.998 9.972 -2.171 1.00 0.61 C ATOM 1933 CG LYS B 45 9.785 8.945 -1.378 1.00 0.75 C ATOM 1934 CD LYS B 45 9.043 8.523 -0.122 1.00 0.96 C ATOM 1935 CE LYS B 45 9.809 8.911 1.131 1.00 1.30 C ATOM 1936 NZ LYS B 45 9.067 9.914 1.945 1.00 1.74 N ATOM 0 H LYS B 45 8.434 12.343 -2.532 1.00 0.52 H new ATOM 0 HA LYS B 45 10.877 10.927 -2.571 1.00 0.56 H new ATOM 0 HB2 LYS B 45 8.401 10.571 -1.483 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.301 9.454 -2.830 1.00 0.61 H new ATOM 0 HG2 LYS B 45 9.975 8.071 -2.001 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.756 9.360 -1.106 1.00 0.75 H new ATOM 0 HD2 LYS B 45 8.057 8.988 -0.106 1.00 0.96 H new ATOM 0 HD3 LYS B 45 8.886 7.444 -0.135 1.00 0.96 H new ATOM 0 HE2 LYS B 45 9.996 8.022 1.733 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.781 9.317 0.852 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 9.664 10.229 2.736 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 8.821 10.731 1.350 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 8.197 9.483 2.318 1.00 1.74 H new ATOM 1950 N HIS B 46 9.050 10.820 -5.281 1.00 0.52 N ATOM 1951 CA HIS B 46 9.030 10.407 -6.678 1.00 0.55 C ATOM 1952 C HIS B 46 10.148 11.092 -7.455 1.00 0.56 C ATOM 1953 O HIS B 46 10.867 10.451 -8.221 1.00 0.58 O ATOM 1954 CB HIS B 46 7.678 10.733 -7.313 1.00 0.59 C ATOM 1955 CG HIS B 46 7.354 9.872 -8.494 1.00 0.70 C ATOM 1956 ND1 HIS B 46 7.106 10.382 -9.751 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.242 8.528 -8.605 1.00 0.81 C ATOM 1958 CE1 HIS B 46 6.854 9.388 -10.584 1.00 1.07 C ATOM 1959 NE2 HIS B 46 6.932 8.253 -9.914 1.00 0.99 N ATOM 0 H HIS B 46 8.302 11.463 -5.021 1.00 0.52 H new ATOM 0 HA HIS B 46 9.186 9.329 -6.716 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.895 10.618 -6.563 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.672 11.778 -7.622 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.372 7.806 -7.812 1.00 0.81 H new ATOM 0 HE1 HIS B 46 6.623 9.487 -11.634 1.00 1.07 H new ATOM 0 HE2 HIS B 46 6.786 7.323 -10.305 1.00 0.99 H new ATOM 1968 N THR B 47 10.293 12.397 -7.244 1.00 0.59 N ATOM 1969 CA THR B 47 11.331 13.167 -7.918 1.00 0.64 C ATOM 1970 C THR B 47 12.712 12.655 -7.531 1.00 0.62 C ATOM 1971 O THR B 47 13.592 12.506 -8.378 1.00 0.65 O ATOM 1972 CB THR B 47 11.237 14.665 -7.576 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.866 15.052 -7.435 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.897 15.506 -8.657 1.00 0.79 C ATOM 0 H THR B 47 9.706 12.942 -6.613 1.00 0.59 H new ATOM 0 HA THR B 47 11.178 13.043 -8.990 1.00 0.64 H new ATOM 0 HB THR B 47 11.759 14.834 -6.634 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.816 16.006 -7.216 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.819 16.561 -8.395 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.948 15.230 -8.742 1.00 0.79 H new ATOM 0 HG23 THR B 47 11.398 15.331 -9.610 1.00 0.79 H new ATOM 1982 N ARG B 48 12.888 12.377 -6.244 1.00 0.59 N ATOM 1983 CA ARG B 48 14.154 11.869 -5.736 1.00 0.61 C ATOM 1984 C ARG B 48 14.390 10.450 -6.230 1.00 0.54 C ATOM 1985 O ARG B 48 15.530 10.034 -6.440 1.00 0.56 O ATOM 1986 CB ARG B 48 14.163 11.900 -4.208 1.00 0.66 C ATOM 1987 CG ARG B 48 15.307 12.711 -3.626 1.00 0.93 C ATOM 1988 CD ARG B 48 15.220 12.786 -2.113 1.00 1.46 C ATOM 1989 NE ARG B 48 15.097 14.160 -1.639 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.106 14.854 -1.123 1.00 1.70 C ATOM 1991 NH1 ARG B 48 17.309 14.306 -1.023 1.00 1.82 N ATOM 1992 NH2 ARG B 48 15.913 16.097 -0.705 1.00 2.26 N ATOM 0 H ARG B 48 12.167 12.496 -5.533 1.00 0.59 H new ATOM 0 HA ARG B 48 14.957 12.507 -6.105 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.218 12.314 -3.855 1.00 0.66 H new ATOM 0 HB3 ARG B 48 14.224 10.879 -3.832 1.00 0.66 H new ATOM 0 HG2 ARG B 48 16.257 12.262 -3.915 1.00 0.93 H new ATOM 0 HG3 ARG B 48 15.290 13.718 -4.043 1.00 0.93 H new ATOM 0 HD2 ARG B 48 14.363 12.206 -1.770 1.00 1.46 H new ATOM 0 HD3 ARG B 48 16.108 12.330 -1.676 1.00 1.46 H new ATOM 0 HE ARG B 48 14.186 14.613 -1.707 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.462 13.349 -1.343 1.00 1.82 H new ATOM 0 HH12 ARG B 48 18.082 14.841 -0.627 1.00 1.82 H new ATOM 0 HH21 ARG B 48 14.989 16.522 -0.779 1.00 2.26 H new ATOM 0 HH22 ARG B 48 16.689 16.628 -0.309 1.00 2.26 H new ATOM 2006 N PHE B 49 13.300 9.713 -6.425 1.00 0.49 N ATOM 2007 CA PHE B 49 13.382 8.341 -6.909 1.00 0.45 C ATOM 2008 C PHE B 49 13.905 8.321 -8.338 1.00 0.47 C ATOM 2009 O PHE B 49 14.711 7.466 -8.704 1.00 0.48 O ATOM 2010 CB PHE B 49 12.006 7.668 -6.851 1.00 0.48 C ATOM 2011 CG PHE B 49 12.005 6.280 -6.258 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.181 5.671 -5.837 1.00 0.83 C ATOM 2013 CD2 PHE B 49 10.815 5.583 -6.125 1.00 1.06 C ATOM 2014 CE1 PHE B 49 13.164 4.400 -5.295 1.00 0.87 C ATOM 2015 CE2 PHE B 49 10.794 4.312 -5.585 1.00 1.27 C ATOM 2016 CZ PHE B 49 11.971 3.720 -5.169 1.00 0.85 C ATOM 0 H PHE B 49 12.350 10.044 -6.255 1.00 0.49 H new ATOM 0 HA PHE B 49 14.070 7.790 -6.268 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.334 8.297 -6.268 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.599 7.617 -7.861 1.00 0.48 H new ATOM 0 HD1 PHE B 49 14.119 6.197 -5.935 1.00 0.83 H new ATOM 0 HD2 PHE B 49 9.891 6.040 -6.448 1.00 1.06 H new ATOM 0 HE1 PHE B 49 14.085 3.939 -4.970 1.00 0.87 H new ATOM 0 HE2 PHE B 49 9.858 3.781 -5.488 1.00 1.27 H new ATOM 0 HZ PHE B 49 11.957 2.726 -4.746 1.00 0.85 H new ATOM 2026 N LYS B 50 13.441 9.274 -9.139 1.00 0.50 N ATOM 2027 CA LYS B 50 13.860 9.379 -10.530 1.00 0.54 C ATOM 2028 C LYS B 50 15.355 9.658 -10.620 1.00 0.53 C ATOM 2029 O LYS B 50 16.060 9.063 -11.435 1.00 0.52 O ATOM 2030 CB LYS B 50 13.079 10.488 -11.236 1.00 0.63 C ATOM 2031 CG LYS B 50 11.674 10.076 -11.640 1.00 0.91 C ATOM 2032 CD LYS B 50 11.691 9.162 -12.853 1.00 1.54 C ATOM 2033 CE LYS B 50 10.993 9.804 -14.040 1.00 2.02 C ATOM 2034 NZ LYS B 50 11.960 10.228 -15.089 1.00 2.55 N ATOM 0 H LYS B 50 12.772 9.987 -8.847 1.00 0.50 H new ATOM 0 HA LYS B 50 13.652 8.429 -11.023 1.00 0.54 H new ATOM 0 HB2 LYS B 50 13.020 11.355 -10.578 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.628 10.799 -12.125 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.189 9.568 -10.807 1.00 0.91 H new ATOM 0 HG3 LYS B 50 11.082 10.964 -11.860 1.00 0.91 H new ATOM 0 HD2 LYS B 50 12.722 8.926 -13.119 1.00 1.54 H new ATOM 0 HD3 LYS B 50 11.202 8.219 -12.607 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.280 9.099 -14.467 1.00 2.02 H new ATOM 0 HE3 LYS B 50 10.422 10.669 -13.701 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 11.445 10.661 -15.882 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 12.625 10.920 -14.689 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 12.487 9.399 -15.431 1.00 2.55 H new ATOM 2048 N ALA B 51 15.830 10.563 -9.772 1.00 0.56 N ATOM 2049 CA ALA B 51 17.241 10.922 -9.746 1.00 0.61 C ATOM 2050 C ALA B 51 18.087 9.752 -9.262 1.00 0.57 C ATOM 2051 O ALA B 51 19.192 9.526 -9.755 1.00 0.58 O ATOM 2052 CB ALA B 51 17.460 12.140 -8.863 1.00 0.71 C ATOM 0 H ALA B 51 15.256 11.062 -9.092 1.00 0.56 H new ATOM 0 HA ALA B 51 17.552 11.168 -10.761 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.519 12.397 -8.853 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.887 12.981 -9.254 1.00 0.71 H new ATOM 0 HB3 ALA B 51 17.131 11.917 -7.848 1.00 0.71 H new ATOM 2058 N ALA B 52 17.558 9.005 -8.297 1.00 0.55 N ATOM 2059 CA ALA B 52 18.261 7.853 -7.750 1.00 0.59 C ATOM 2060 C ALA B 52 18.267 6.703 -8.750 1.00 0.51 C ATOM 2061 O ALA B 52 19.199 5.900 -8.785 1.00 0.54 O ATOM 2062 CB ALA B 52 17.621 7.414 -6.441 1.00 0.67 C ATOM 0 H ALA B 52 16.644 9.179 -7.879 1.00 0.55 H new ATOM 0 HA ALA B 52 19.293 8.142 -7.553 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.158 6.552 -6.045 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.666 8.232 -5.722 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.580 7.143 -6.618 1.00 0.67 H new ATOM 2068 N CYS B 53 17.220 6.640 -9.567 1.00 0.48 N ATOM 2069 CA CYS B 53 17.096 5.598 -10.580 1.00 0.53 C ATOM 2070 C CYS B 53 18.137 5.792 -11.672 1.00 0.50 C ATOM 2071 O CYS B 53 18.805 4.845 -12.088 1.00 0.56 O ATOM 2072 CB CYS B 53 15.695 5.616 -11.193 1.00 0.68 C ATOM 2073 SG CYS B 53 14.427 4.838 -10.166 1.00 1.15 S ATOM 0 H CYS B 53 16.443 7.301 -9.547 1.00 0.48 H new ATOM 0 HA CYS B 53 17.262 4.633 -10.101 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.408 6.650 -11.385 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.726 5.110 -12.158 1.00 0.68 H new ATOM 0 HG CYS B 53 14.066 5.659 -9.225 1.00 1.15 H new ATOM 2079 N ALA B 54 18.270 7.032 -12.134 1.00 0.51 N ATOM 2080 CA ALA B 54 19.230 7.361 -13.179 1.00 0.59 C ATOM 2081 C ALA B 54 20.655 7.314 -12.643 1.00 0.59 C ATOM 2082 O ALA B 54 21.589 6.964 -13.366 1.00 0.70 O ATOM 2083 CB ALA B 54 18.926 8.735 -13.759 1.00 0.69 C ATOM 0 H ALA B 54 17.723 7.826 -11.800 1.00 0.51 H new ATOM 0 HA ALA B 54 19.142 6.617 -13.971 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.651 8.969 -14.539 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.922 8.737 -14.184 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.987 9.485 -12.970 1.00 0.69 H new ATOM 2089 N ARG B 55 20.814 7.667 -11.372 1.00 0.55 N ATOM 2090 CA ARG B 55 22.125 7.663 -10.735 1.00 0.64 C ATOM 2091 C ARG B 55 22.649 6.240 -10.582 1.00 0.59 C ATOM 2092 O ARG B 55 23.833 5.977 -10.789 1.00 0.76 O ATOM 2093 CB ARG B 55 22.052 8.341 -9.368 1.00 0.72 C ATOM 2094 CG ARG B 55 23.232 9.250 -9.081 1.00 1.03 C ATOM 2095 CD ARG B 55 23.619 9.211 -7.613 1.00 1.37 C ATOM 2096 NE ARG B 55 24.116 10.500 -7.147 1.00 1.97 N ATOM 2097 CZ ARG B 55 23.348 11.572 -6.990 1.00 2.64 C ATOM 2098 NH1 ARG B 55 22.051 11.510 -7.257 1.00 2.89 N ATOM 2099 NH2 ARG B 55 23.877 12.710 -6.565 1.00 3.60 N ATOM 0 H ARG B 55 20.050 7.960 -10.762 1.00 0.55 H new ATOM 0 HA ARG B 55 22.813 8.219 -11.372 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.132 8.923 -9.308 1.00 0.72 H new ATOM 0 HB3 ARG B 55 21.996 7.576 -8.594 1.00 0.72 H new ATOM 0 HG2 ARG B 55 24.083 8.947 -9.691 1.00 1.03 H new ATOM 0 HG3 ARG B 55 22.983 10.272 -9.366 1.00 1.03 H new ATOM 0 HD2 ARG B 55 22.754 8.919 -7.017 1.00 1.37 H new ATOM 0 HD3 ARG B 55 24.384 8.450 -7.459 1.00 1.37 H new ATOM 0 HE ARG B 55 25.109 10.583 -6.929 1.00 1.97 H new ATOM 0 HH11 ARG B 55 21.639 10.636 -7.585 1.00 2.89 H new ATOM 0 HH12 ARG B 55 21.465 12.336 -7.135 1.00 2.89 H new ATOM 0 HH21 ARG B 55 24.874 12.763 -6.358 1.00 3.60 H new ATOM 0 HH22 ARG B 55 23.287 13.533 -6.445 1.00 3.60 H new ATOM 2113 N LYS B 56 21.755 5.325 -10.220 1.00 0.47 N ATOM 2114 CA LYS B 56 22.123 3.927 -10.040 1.00 0.52 C ATOM 2115 C LYS B 56 21.967 3.158 -11.347 1.00 0.51 C ATOM 2116 O LYS B 56 22.429 2.023 -11.470 1.00 0.60 O ATOM 2117 CB LYS B 56 21.259 3.287 -8.953 1.00 0.61 C ATOM 2118 CG LYS B 56 22.065 2.586 -7.873 1.00 0.74 C ATOM 2119 CD LYS B 56 21.831 3.212 -6.509 1.00 0.91 C ATOM 2120 CE LYS B 56 22.494 2.403 -5.406 1.00 1.62 C ATOM 2121 NZ LYS B 56 23.904 2.823 -5.181 1.00 1.85 N ATOM 0 H LYS B 56 20.771 5.528 -10.046 1.00 0.47 H new ATOM 0 HA LYS B 56 23.168 3.885 -9.733 1.00 0.52 H new ATOM 0 HB2 LYS B 56 20.640 4.057 -8.492 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.582 2.568 -9.414 1.00 0.61 H new ATOM 0 HG2 LYS B 56 21.793 1.531 -7.842 1.00 0.74 H new ATOM 0 HG3 LYS B 56 23.126 2.635 -8.120 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.223 4.229 -6.502 1.00 0.91 H new ATOM 0 HD3 LYS B 56 20.760 3.281 -6.318 1.00 0.91 H new ATOM 0 HE2 LYS B 56 21.929 2.518 -4.481 1.00 1.62 H new ATOM 0 HE3 LYS B 56 22.467 1.345 -5.666 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 24.321 2.248 -4.421 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 24.450 2.689 -6.056 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 23.928 3.826 -4.908 1.00 1.85 H new ATOM 2135 N GLY B 57 21.310 3.785 -12.318 1.00 0.46 N ATOM 2136 CA GLY B 57 21.100 3.147 -13.604 1.00 0.51 C ATOM 2137 C GLY B 57 20.293 1.871 -13.488 1.00 0.59 C ATOM 2138 O GLY B 57 20.762 0.796 -13.867 1.00 0.75 O ATOM 0 H GLY B 57 20.919 4.724 -12.237 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.587 3.840 -14.271 1.00 0.51 H new ATOM 0 HA3 GLY B 57 22.065 2.924 -14.058 1.00 0.51 H new ATOM 2142 N THR B 58 19.079 1.986 -12.962 1.00 0.63 N ATOM 2143 CA THR B 58 18.208 0.832 -12.794 1.00 0.77 C ATOM 2144 C THR B 58 16.738 1.226 -12.938 1.00 0.62 C ATOM 2145 O THR B 58 16.401 2.411 -12.937 1.00 0.57 O ATOM 2146 CB THR B 58 18.432 0.159 -11.426 1.00 1.02 C ATOM 2147 OG1 THR B 58 17.792 -1.119 -11.398 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.898 1.024 -10.294 1.00 0.92 C ATOM 0 H THR B 58 18.677 2.868 -12.645 1.00 0.63 H new ATOM 0 HA THR B 58 18.461 0.120 -13.580 1.00 0.77 H new ATOM 0 HB THR B 58 19.505 0.032 -11.285 1.00 1.02 H new ATOM 0 HG1 THR B 58 18.116 -1.630 -10.627 1.00 1.92 H new ATOM 0 HG21 THR B 58 18.070 0.523 -9.341 1.00 0.92 H new ATOM 0 HG22 THR B 58 18.412 1.985 -10.297 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.829 1.184 -10.432 1.00 0.92 H new ATOM 2156 N SER B 59 15.872 0.226 -13.067 1.00 0.66 N ATOM 2157 CA SER B 59 14.438 0.465 -13.222 1.00 0.66 C ATOM 2158 C SER B 59 13.824 1.014 -11.937 1.00 0.62 C ATOM 2159 O SER B 59 14.393 0.876 -10.854 1.00 0.66 O ATOM 2160 CB SER B 59 13.726 -0.826 -13.627 1.00 0.78 C ATOM 2161 OG SER B 59 14.659 -1.834 -13.976 1.00 0.87 O ATOM 0 H SER B 59 16.137 -0.759 -13.067 1.00 0.66 H new ATOM 0 HA SER B 59 14.308 1.210 -14.007 1.00 0.66 H new ATOM 0 HB2 SER B 59 13.101 -1.174 -12.805 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.064 -0.631 -14.471 1.00 0.78 H new ATOM 0 HG SER B 59 14.179 -2.650 -14.230 1.00 0.87 H new ATOM 2167 N ILE B 60 12.654 1.635 -12.071 1.00 0.66 N ATOM 2168 CA ILE B 60 11.950 2.207 -10.929 1.00 0.73 C ATOM 2169 C ILE B 60 11.457 1.117 -9.982 1.00 0.76 C ATOM 2170 O ILE B 60 11.250 1.358 -8.794 1.00 0.85 O ATOM 2171 CB ILE B 60 10.752 3.066 -11.382 1.00 0.85 C ATOM 2172 CG1 ILE B 60 10.127 3.788 -10.187 1.00 0.97 C ATOM 2173 CG2 ILE B 60 9.714 2.207 -12.092 1.00 1.00 C ATOM 2174 CD1 ILE B 60 10.653 5.192 -9.987 1.00 0.91 C ATOM 0 H ILE B 60 12.173 1.754 -12.963 1.00 0.66 H new ATOM 0 HA ILE B 60 12.663 2.842 -10.402 1.00 0.73 H new ATOM 0 HB ILE B 60 11.114 3.816 -12.085 1.00 0.85 H new ATOM 0 HG12 ILE B 60 9.046 3.829 -10.322 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.313 3.207 -9.284 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.877 2.831 -12.404 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.165 1.741 -12.968 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.356 1.433 -11.413 1.00 1.00 H new ATOM 0 HD11 ILE B 60 10.166 5.643 -9.123 1.00 0.91 H new ATOM 0 HD12 ILE B 60 11.730 5.157 -9.820 1.00 0.91 H new ATOM 0 HD13 ILE B 60 10.443 5.789 -10.874 1.00 0.91 H new ATOM 2186 N THR B 61 11.270 -0.084 -10.517 1.00 0.79 N ATOM 2187 CA THR B 61 10.802 -1.209 -9.718 1.00 0.85 C ATOM 2188 C THR B 61 11.963 -1.900 -9.015 1.00 0.77 C ATOM 2189 O THR B 61 11.786 -2.527 -7.970 1.00 0.75 O ATOM 2190 CB THR B 61 10.056 -2.241 -10.582 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.627 -1.636 -11.806 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.854 -2.802 -9.838 1.00 1.14 C ATOM 0 H THR B 61 11.435 -0.303 -11.499 1.00 0.79 H new ATOM 0 HA THR B 61 10.115 -0.805 -8.974 1.00 0.85 H new ATOM 0 HB THR B 61 10.740 -3.060 -10.803 1.00 1.01 H new ATOM 0 HG1 THR B 61 9.155 -2.300 -12.351 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.343 -3.529 -10.469 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.188 -3.288 -8.921 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.169 -1.991 -9.590 1.00 1.14 H new ATOM 2200 N ASP B 62 13.153 -1.782 -9.596 1.00 0.74 N ATOM 2201 CA ASP B 62 14.344 -2.397 -9.027 1.00 0.73 C ATOM 2202 C ASP B 62 14.820 -1.632 -7.798 1.00 0.62 C ATOM 2203 O ASP B 62 15.171 -2.234 -6.782 1.00 0.61 O ATOM 2204 CB ASP B 62 15.461 -2.462 -10.069 1.00 0.82 C ATOM 2205 CG ASP B 62 16.378 -3.650 -9.861 1.00 1.16 C ATOM 2206 OD1 ASP B 62 15.884 -4.714 -9.433 1.00 1.68 O ATOM 2207 OD2 ASP B 62 17.590 -3.517 -10.125 1.00 1.81 O ATOM 0 H ASP B 62 13.317 -1.266 -10.460 1.00 0.74 H new ATOM 0 HA ASP B 62 14.085 -3.411 -8.721 1.00 0.73 H new ATOM 0 HB2 ASP B 62 15.022 -2.516 -11.065 1.00 0.82 H new ATOM 0 HB3 ASP B 62 16.046 -1.543 -10.028 1.00 0.82 H new ATOM 2212 N VAL B 63 14.827 -0.302 -7.892 1.00 0.60 N ATOM 2213 CA VAL B 63 15.257 0.536 -6.777 1.00 0.57 C ATOM 2214 C VAL B 63 14.456 0.214 -5.523 1.00 0.56 C ATOM 2215 O VAL B 63 15.012 0.126 -4.429 1.00 0.59 O ATOM 2216 CB VAL B 63 15.116 2.040 -7.087 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.408 2.595 -7.663 1.00 0.81 C ATOM 2218 CG2 VAL B 63 13.953 2.292 -8.030 1.00 1.01 C ATOM 0 H VAL B 63 14.541 0.214 -8.724 1.00 0.60 H new ATOM 0 HA VAL B 63 16.312 0.317 -6.614 1.00 0.57 H new ATOM 0 HB VAL B 63 14.910 2.560 -6.151 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.285 3.657 -7.874 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.215 2.459 -6.943 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.651 2.068 -8.585 1.00 0.81 H new ATOM 0 HG21 VAL B 63 13.874 3.360 -8.233 1.00 1.01 H new ATOM 0 HG22 VAL B 63 14.119 1.756 -8.964 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.029 1.941 -7.570 1.00 1.01 H new ATOM 2228 N VAL B 64 13.150 0.027 -5.691 1.00 0.55 N ATOM 2229 CA VAL B 64 12.285 -0.301 -4.566 1.00 0.56 C ATOM 2230 C VAL B 64 12.688 -1.641 -3.968 1.00 0.55 C ATOM 2231 O VAL B 64 12.672 -1.821 -2.753 1.00 0.57 O ATOM 2232 CB VAL B 64 10.799 -0.353 -4.969 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.911 -0.266 -3.738 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.468 0.760 -5.951 1.00 0.67 C ATOM 0 H VAL B 64 12.672 0.097 -6.589 1.00 0.55 H new ATOM 0 HA VAL B 64 12.407 0.492 -3.828 1.00 0.56 H new ATOM 0 HB VAL B 64 10.610 -1.307 -5.462 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.865 -0.304 -4.041 1.00 0.73 H new ATOM 0 HG12 VAL B 64 10.127 -1.103 -3.074 1.00 0.73 H new ATOM 0 HG13 VAL B 64 10.104 0.671 -3.216 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.414 0.704 -6.222 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.673 1.726 -5.489 1.00 0.67 H new ATOM 0 HG23 VAL B 64 11.079 0.649 -6.847 1.00 0.67 H new ATOM 2244 N ASN B 65 13.066 -2.574 -4.834 1.00 0.55 N ATOM 2245 CA ASN B 65 13.492 -3.894 -4.393 1.00 0.56 C ATOM 2246 C ASN B 65 14.828 -3.800 -3.662 1.00 0.56 C ATOM 2247 O ASN B 65 15.207 -4.703 -2.916 1.00 0.56 O ATOM 2248 CB ASN B 65 13.612 -4.840 -5.588 1.00 0.58 C ATOM 2249 CG ASN B 65 13.924 -6.265 -5.173 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.463 -6.735 -4.133 1.00 0.86 O ATOM 2251 ND2 ASN B 65 14.708 -6.959 -5.987 1.00 1.46 N ATOM 0 H ASN B 65 13.086 -2.440 -5.845 1.00 0.55 H new ATOM 0 HA ASN B 65 12.743 -4.290 -3.707 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.680 -4.826 -6.153 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.395 -4.480 -6.255 1.00 0.58 H new ATOM 0 HD21 ASN B 65 14.952 -7.923 -5.761 1.00 1.46 H new ATOM 0 HD22 ASN B 65 15.067 -6.528 -6.839 1.00 1.46 H new ATOM 2258 N GLN B 66 15.535 -2.694 -3.884 1.00 0.58 N ATOM 2259 CA GLN B 66 16.828 -2.472 -3.250 1.00 0.60 C ATOM 2260 C GLN B 66 16.655 -1.925 -1.838 1.00 0.58 C ATOM 2261 O GLN B 66 17.288 -2.409 -0.901 1.00 0.61 O ATOM 2262 CB GLN B 66 17.679 -1.519 -4.089 1.00 0.65 C ATOM 2263 CG GLN B 66 18.603 -2.238 -5.057 1.00 0.84 C ATOM 2264 CD GLN B 66 19.899 -1.493 -5.293 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.523 -0.996 -4.357 1.00 2.01 O ATOM 2266 NE2 GLN B 66 20.312 -1.415 -6.551 1.00 1.70 N ATOM 0 H GLN B 66 15.232 -1.939 -4.499 1.00 0.58 H new ATOM 0 HA GLN B 66 17.341 -3.431 -3.183 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.022 -0.854 -4.650 1.00 0.65 H new ATOM 0 HB3 GLN B 66 18.275 -0.893 -3.424 1.00 0.65 H new ATOM 0 HG2 GLN B 66 18.826 -3.232 -4.669 1.00 0.84 H new ATOM 0 HG3 GLN B 66 18.089 -2.375 -6.009 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.762 -1.843 -7.296 1.00 1.70 H new ATOM 0 HE22 GLN B 66 21.180 -0.928 -6.774 1.00 1.70 H new ATOM 2275 N LEU B 67 15.789 -0.923 -1.684 1.00 0.55 N ATOM 2276 CA LEU B 67 15.542 -0.344 -0.368 1.00 0.55 C ATOM 2277 C LEU B 67 14.998 -1.414 0.565 1.00 0.50 C ATOM 2278 O LEU B 67 15.308 -1.433 1.756 1.00 0.50 O ATOM 2279 CB LEU B 67 14.567 0.837 -0.442 1.00 0.57 C ATOM 2280 CG LEU B 67 13.696 0.901 -1.694 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.232 0.731 -1.329 1.00 0.97 C ATOM 2282 CD2 LEU B 67 13.916 2.214 -2.429 1.00 0.67 C ATOM 0 H LEU B 67 15.255 -0.502 -2.444 1.00 0.55 H new ATOM 0 HA LEU B 67 16.488 0.035 0.018 1.00 0.55 H new ATOM 0 HB2 LEU B 67 13.914 0.800 0.430 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.140 1.762 -0.373 1.00 0.57 H new ATOM 0 HG LEU B 67 13.982 0.085 -2.358 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.624 0.779 -2.232 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.087 -0.235 -0.845 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.932 1.527 -0.647 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.287 2.243 -3.319 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.656 3.046 -1.774 1.00 0.67 H new ATOM 0 HD23 LEU B 67 14.963 2.296 -2.722 1.00 0.67 H new ATOM 2294 N VAL B 68 14.205 -2.325 0.004 1.00 0.48 N ATOM 2295 CA VAL B 68 13.642 -3.423 0.774 1.00 0.45 C ATOM 2296 C VAL B 68 14.745 -4.402 1.143 1.00 0.42 C ATOM 2297 O VAL B 68 14.689 -5.061 2.178 1.00 0.40 O ATOM 2298 CB VAL B 68 12.545 -4.173 -0.011 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.949 -5.293 0.829 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.461 -3.212 -0.468 1.00 1.07 C ATOM 0 H VAL B 68 13.940 -2.321 -0.981 1.00 0.48 H new ATOM 0 HA VAL B 68 13.189 -3.000 1.671 1.00 0.45 H new ATOM 0 HB VAL B 68 13.004 -4.618 -0.894 1.00 0.46 H new ATOM 0 HG11 VAL B 68 11.178 -5.807 0.255 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.732 -6.001 1.100 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.509 -4.874 1.734 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.697 -3.761 -1.019 1.00 1.07 H new ATOM 0 HG22 VAL B 68 11.008 -2.734 0.401 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.898 -2.451 -1.114 1.00 1.07 H new ATOM 2310 N ASP B 69 15.755 -4.479 0.283 1.00 0.47 N ATOM 2311 CA ASP B 69 16.892 -5.362 0.501 1.00 0.49 C ATOM 2312 C ASP B 69 17.812 -4.793 1.575 1.00 0.48 C ATOM 2313 O ASP B 69 18.485 -5.533 2.290 1.00 0.49 O ATOM 2314 CB ASP B 69 17.670 -5.543 -0.803 1.00 0.60 C ATOM 2315 CG ASP B 69 18.105 -6.977 -1.029 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.442 -7.890 -0.498 1.00 1.09 O ATOM 2317 OD2 ASP B 69 19.111 -7.185 -1.740 1.00 1.46 O ATOM 0 H ASP B 69 15.808 -3.935 -0.578 1.00 0.47 H new ATOM 0 HA ASP B 69 16.520 -6.330 0.836 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.050 -5.219 -1.639 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.549 -4.899 -0.790 1.00 0.60 H new ATOM 2322 N ASN B 70 17.836 -3.470 1.676 1.00 0.55 N ATOM 2323 CA ASN B 70 18.673 -2.786 2.653 1.00 0.61 C ATOM 2324 C ASN B 70 17.965 -2.672 3.999 1.00 0.56 C ATOM 2325 O ASN B 70 18.575 -2.304 5.001 1.00 0.60 O ATOM 2326 CB ASN B 70 19.042 -1.393 2.142 1.00 0.74 C ATOM 2327 CG ASN B 70 20.442 -0.978 2.543 1.00 1.37 C ATOM 2328 OD1 ASN B 70 20.979 -1.445 3.545 1.00 1.88 O ATOM 2329 ND2 ASN B 70 21.040 -0.090 1.759 1.00 2.19 N ATOM 0 H ASN B 70 17.282 -2.846 1.089 1.00 0.55 H new ATOM 0 HA ASN B 70 19.580 -3.374 2.792 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.959 -1.375 1.055 1.00 0.74 H new ATOM 0 HB3 ASN B 70 18.327 -0.667 2.529 1.00 0.74 H new ATOM 0 HD21 ASN B 70 21.983 0.231 1.979 1.00 2.19 H new ATOM 0 HD22 ASN B 70 20.557 0.271 0.937 1.00 2.19 H new ATOM 2336 N TRP B 71 16.673 -2.982 4.012 1.00 0.54 N ATOM 2337 CA TRP B 71 15.880 -2.905 5.236 1.00 0.54 C ATOM 2338 C TRP B 71 15.578 -4.298 5.783 1.00 0.47 C ATOM 2339 O TRP B 71 15.523 -4.500 6.995 1.00 0.53 O ATOM 2340 CB TRP B 71 14.571 -2.155 4.963 1.00 0.57 C ATOM 2341 CG TRP B 71 13.656 -2.087 6.149 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.597 -1.092 7.082 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.668 -3.052 6.528 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.634 -1.381 8.019 1.00 0.86 N ATOM 2345 CE2 TRP B 71 12.050 -2.578 7.701 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.246 -4.271 5.990 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 11.034 -3.281 8.343 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.237 -4.967 6.628 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.641 -4.470 7.793 1.00 0.74 C ATOM 0 H TRP B 71 16.152 -3.289 3.190 1.00 0.54 H new ATOM 0 HA TRP B 71 16.459 -2.364 5.984 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.805 -1.141 4.637 1.00 0.57 H new ATOM 0 HB3 TRP B 71 14.048 -2.642 4.140 1.00 0.57 H new ATOM 0 HD1 TRP B 71 14.216 -0.207 7.084 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.393 -0.798 8.821 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.700 -4.662 5.092 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.573 -2.901 9.243 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 10.903 -5.910 6.221 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.854 -5.037 8.268 1.00 0.74 H new ATOM 2360 N LEU B 72 15.368 -5.246 4.881 1.00 0.42 N ATOM 2361 CA LEU B 72 15.049 -6.620 5.261 1.00 0.44 C ATOM 2362 C LEU B 72 16.259 -7.350 5.837 1.00 0.55 C ATOM 2363 O LEU B 72 16.127 -8.138 6.775 1.00 0.65 O ATOM 2364 CB LEU B 72 14.519 -7.383 4.044 1.00 0.50 C ATOM 2365 CG LEU B 72 13.412 -8.394 4.340 1.00 0.47 C ATOM 2366 CD1 LEU B 72 12.049 -7.803 4.018 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.639 -9.676 3.550 1.00 0.60 C ATOM 0 H LEU B 72 15.413 -5.090 3.874 1.00 0.42 H new ATOM 0 HA LEU B 72 14.286 -6.579 6.038 1.00 0.44 H new ATOM 0 HB2 LEU B 72 14.145 -6.661 3.318 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.351 -7.907 3.573 1.00 0.50 H new ATOM 0 HG LEU B 72 13.439 -8.634 5.403 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.273 -8.537 4.235 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.886 -6.913 4.625 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.009 -7.534 2.962 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.842 -10.386 3.772 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.638 -9.451 2.483 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.599 -10.110 3.829 1.00 0.60 H new ATOM 2379 N LYS B 73 17.431 -7.106 5.262 1.00 0.63 N ATOM 2380 CA LYS B 73 18.654 -7.768 5.713 1.00 0.83 C ATOM 2381 C LYS B 73 19.410 -6.942 6.751 1.00 0.97 C ATOM 2382 O LYS B 73 20.443 -7.375 7.259 1.00 1.13 O ATOM 2383 CB LYS B 73 19.568 -8.055 4.519 1.00 0.96 C ATOM 2384 CG LYS B 73 18.816 -8.364 3.233 1.00 0.92 C ATOM 2385 CD LYS B 73 19.238 -9.699 2.644 1.00 1.16 C ATOM 2386 CE LYS B 73 20.362 -9.533 1.633 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.899 -8.852 0.393 1.00 1.79 N ATOM 0 H LYS B 73 17.562 -6.458 4.486 1.00 0.63 H new ATOM 0 HA LYS B 73 18.357 -8.704 6.187 1.00 0.83 H new ATOM 0 HB2 LYS B 73 20.215 -7.194 4.353 1.00 0.96 H new ATOM 0 HB3 LYS B 73 20.215 -8.898 4.762 1.00 0.96 H new ATOM 0 HG2 LYS B 73 17.744 -8.376 3.432 1.00 0.92 H new ATOM 0 HG3 LYS B 73 18.997 -7.572 2.506 1.00 0.92 H new ATOM 0 HD2 LYS B 73 19.562 -10.364 3.444 1.00 1.16 H new ATOM 0 HD3 LYS B 73 18.382 -10.172 2.163 1.00 1.16 H new ATOM 0 HE2 LYS B 73 21.172 -8.958 2.082 1.00 1.41 H new ATOM 0 HE3 LYS B 73 20.769 -10.512 1.379 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 20.199 -9.401 -0.438 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.862 -8.780 0.403 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.312 -7.899 0.346 1.00 1.79 H new ATOM 2401 N GLU B 74 18.902 -5.753 7.063 1.00 0.99 N ATOM 2402 CA GLU B 74 19.555 -4.886 8.040 1.00 1.22 C ATOM 2403 C GLU B 74 18.728 -4.752 9.313 1.00 1.27 C ATOM 2404 O GLU B 74 19.207 -5.042 10.410 1.00 1.50 O ATOM 2405 CB GLU B 74 19.809 -3.504 7.439 1.00 1.37 C ATOM 2406 CG GLU B 74 21.070 -3.432 6.597 1.00 1.81 C ATOM 2407 CD GLU B 74 22.303 -3.133 7.425 1.00 2.23 C ATOM 2408 OE1 GLU B 74 22.710 -4.006 8.219 1.00 2.78 O ATOM 2409 OE2 GLU B 74 22.859 -2.025 7.282 1.00 2.51 O ATOM 0 H GLU B 74 18.048 -5.370 6.658 1.00 0.99 H new ATOM 0 HA GLU B 74 20.507 -5.347 8.302 1.00 1.22 H new ATOM 0 HB2 GLU B 74 18.955 -3.221 6.824 1.00 1.37 H new ATOM 0 HB3 GLU B 74 19.878 -2.773 8.245 1.00 1.37 H new ATOM 0 HG2 GLU B 74 21.208 -4.378 6.074 1.00 1.81 H new ATOM 0 HG3 GLU B 74 20.951 -2.661 5.836 1.00 1.81 H new ATOM 2416 N ASN B 75 17.487 -4.301 9.164 1.00 1.11 N ATOM 2417 CA ASN B 75 16.597 -4.117 10.306 1.00 1.21 C ATOM 2418 C ASN B 75 16.326 -5.441 11.018 1.00 1.14 C ATOM 2419 O ASN B 75 16.021 -5.462 12.211 1.00 1.29 O ATOM 2420 CB ASN B 75 15.283 -3.474 9.850 1.00 1.28 C ATOM 2421 CG ASN B 75 14.084 -4.391 10.018 1.00 1.61 C ATOM 2422 OD1 ASN B 75 13.256 -4.189 10.904 1.00 1.88 O ATOM 2423 ND2 ASN B 75 13.990 -5.405 9.167 1.00 1.97 N ATOM 0 H ASN B 75 17.074 -4.056 8.264 1.00 1.11 H new ATOM 0 HA ASN B 75 17.089 -3.453 11.017 1.00 1.21 H new ATOM 0 HB2 ASN B 75 15.116 -2.559 10.418 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.370 -3.187 8.802 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.207 -6.055 9.233 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.701 -5.534 8.447 1.00 1.97 H new ATOM 2430 N GLU B 76 16.431 -6.542 10.280 1.00 1.01 N ATOM 2431 CA GLU B 76 16.191 -7.865 10.846 1.00 1.08 C ATOM 2432 C GLU B 76 17.493 -8.514 11.301 1.00 1.38 C ATOM 2433 O GLU B 76 18.554 -7.870 11.163 1.00 1.93 O ATOM 2434 CB GLU B 76 15.491 -8.760 9.823 1.00 1.36 C ATOM 2435 CG GLU B 76 14.048 -9.069 10.179 1.00 1.88 C ATOM 2436 CD GLU B 76 13.930 -10.062 11.318 1.00 2.20 C ATOM 2437 OE1 GLU B 76 14.279 -11.243 11.115 1.00 2.52 O ATOM 2438 OE2 GLU B 76 13.490 -9.657 12.414 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.441 -9.659 11.793 1.00 1.90 O ATOM 0 H GLU B 76 16.680 -6.544 9.291 1.00 1.01 H new ATOM 0 HA GLU B 76 15.547 -7.745 11.717 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.521 -8.276 8.847 1.00 1.36 H new ATOM 0 HB3 GLU B 76 16.043 -9.695 9.732 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.539 -8.145 10.453 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.538 -9.466 9.301 1.00 1.88 H new