USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot 17:sc= -2.39! USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -4.59! C(o=-8.4!,f=-7!) USER MOD Set 2.1: A 50 GLN : amide:sc= -5.72! C(o=-6.5!,f=-6.8!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.736 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.369 K(o=-6.1,f=-9.5!) USER MOD Set 3.2: A 59 THR OG1 : rot -107:sc= 1.23 USER MOD Set 3.3: A 97 GLN : amide:sc= -6.96! C(o=-6.1!,f=-9.8!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -6.59! C(o=-15!,f=-16!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -7.99! C(o=-15!,f=-17!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.227 K(o=0.23,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -104:sc= -1.02 USER MOD Single : A 61 GLN : amide:sc= -7.35! C(o=-7.4!,f=-7.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.531) USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0665) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= -0.0402 (180deg=-0.329) USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= -0.0892 (180deg=-1.49) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.19 F(o=-3.7!,f=-1.2) USER MOD Single : A 85 THR OG1 : rot -32:sc= -0.895 USER MOD Single : A 89 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-5.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc=-0.00438 F(o=-0.8,f=-0.0044) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.712 K(o=-0.71,f=-1.4) USER MOD Single : A 107 CYS SG : rot -15:sc= -0.152 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.336 F(o=-1.9,f=-0.34) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -1.72 F(o=-4.9,f=-1.7) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.756 -12.461 -13.376 1.00 0.00 N ATOM 607 CA ASP A 42 0.141 -12.081 -12.110 1.00 0.00 C ATOM 608 C ASP A 42 0.767 -10.800 -11.570 1.00 0.00 C ATOM 609 O ASP A 42 1.474 -10.817 -10.562 1.00 0.00 O ATOM 610 CB ASP A 42 0.291 -13.209 -11.088 1.00 0.00 C ATOM 611 CG ASP A 42 -0.886 -14.166 -11.106 1.00 0.00 C ATOM 612 OD1 ASP A 42 -2.038 -13.687 -11.157 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.655 -15.393 -11.069 1.00 0.00 O ATOM 0 HA ASP A 42 -0.920 -11.901 -12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.208 -13.761 -11.293 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.393 -12.781 -10.091 1.00 0.00 H new ATOM 618 N TYR A 43 0.507 -9.693 -12.254 1.00 0.00 N ATOM 619 CA TYR A 43 1.045 -8.399 -11.857 1.00 0.00 C ATOM 620 C TYR A 43 0.364 -7.883 -10.593 1.00 0.00 C ATOM 621 O TYR A 43 -0.575 -8.495 -10.086 1.00 0.00 O ATOM 622 CB TYR A 43 0.873 -7.392 -12.994 1.00 0.00 C ATOM 623 CG TYR A 43 1.336 -7.912 -14.338 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.490 -8.680 -14.452 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.619 -7.632 -15.495 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.915 -9.151 -15.678 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.038 -8.101 -16.726 1.00 0.00 C ATOM 628 CZ TYR A 43 2.186 -8.860 -16.811 1.00 0.00 C ATOM 629 OH TYR A 43 2.607 -9.328 -18.035 1.00 0.00 O ATOM 0 H TYR A 43 -0.076 -9.666 -13.090 1.00 0.00 H new ATOM 0 HA TYR A 43 2.106 -8.523 -11.642 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.178 -7.112 -13.064 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.429 -6.486 -12.753 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.063 -8.912 -13.566 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.281 -7.038 -15.431 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.814 -9.745 -15.749 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.470 -7.874 -17.616 1.00 0.00 H new ATOM 0 HH TYR A 43 1.981 -9.035 -18.730 1.00 0.00 H new ATOM 639 N ILE A 44 0.846 -6.749 -10.093 1.00 0.00 N ATOM 640 CA ILE A 44 0.285 -6.144 -8.890 1.00 0.00 C ATOM 641 C ILE A 44 -0.453 -4.852 -9.229 1.00 0.00 C ATOM 642 O ILE A 44 0.164 -3.816 -9.479 1.00 0.00 O ATOM 643 CB ILE A 44 1.380 -5.856 -7.841 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.093 -7.149 -7.435 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.782 -5.177 -6.618 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.150 -8.284 -7.093 1.00 0.00 C ATOM 0 H ILE A 44 1.623 -6.231 -10.502 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.420 -6.859 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 44 2.112 -5.184 -8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.746 -7.464 -8.249 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.731 -6.947 -6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.569 -4.982 -5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.320 -4.235 -6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.028 -5.827 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.728 -9.166 -6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.514 -7.989 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.529 -8.515 -7.959 1.00 0.00 H new ATOM 658 N HIS A 45 -1.779 -4.929 -9.243 1.00 0.00 N ATOM 659 CA HIS A 45 -2.617 -3.778 -9.563 1.00 0.00 C ATOM 660 C HIS A 45 -2.667 -2.776 -8.414 1.00 0.00 C ATOM 661 O HIS A 45 -2.903 -3.140 -7.263 1.00 0.00 O ATOM 662 CB HIS A 45 -4.033 -4.248 -9.899 1.00 0.00 C ATOM 663 CG HIS A 45 -4.454 -3.943 -11.302 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.111 -4.730 -12.380 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.206 -2.932 -11.800 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.632 -4.219 -13.480 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.303 -3.129 -13.155 1.00 0.00 N ATOM 0 H HIS A 45 -2.300 -5.781 -9.035 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.177 -3.275 -10.424 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.097 -5.324 -9.736 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.735 -3.779 -9.209 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.543 -5.576 -12.335 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.647 -2.123 -11.237 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.527 -4.623 -14.476 1.00 0.00 H new ATOM 676 N ILE A 46 -2.459 -1.509 -8.745 1.00 0.00 N ATOM 677 CA ILE A 46 -2.500 -0.435 -7.750 1.00 0.00 C ATOM 678 C ILE A 46 -3.917 0.160 -7.670 1.00 0.00 C ATOM 679 O ILE A 46 -4.790 -0.421 -7.026 1.00 0.00 O ATOM 680 CB ILE A 46 -1.463 0.664 -8.067 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.054 0.063 -8.102 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.544 1.793 -7.049 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.463 -0.372 -6.746 1.00 0.00 C ATOM 0 H ILE A 46 -2.260 -1.195 -9.695 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.242 -0.860 -6.780 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.687 1.082 -9.048 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.053 -0.796 -8.773 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.633 0.797 -8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.804 2.556 -7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.541 2.233 -7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.345 1.399 -6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.465 -0.786 -6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.496 0.487 -6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.200 -1.130 -6.330 1.00 0.00 H new ATOM 695 N ARG A 47 -4.153 1.301 -8.339 1.00 0.00 N ATOM 696 CA ARG A 47 -5.473 1.940 -8.354 1.00 0.00 C ATOM 697 C ARG A 47 -5.692 2.847 -7.148 1.00 0.00 C ATOM 698 O ARG A 47 -5.549 2.429 -6.000 1.00 0.00 O ATOM 699 CB ARG A 47 -6.588 0.890 -8.422 1.00 0.00 C ATOM 700 CG ARG A 47 -7.797 1.336 -9.226 1.00 0.00 C ATOM 701 CD ARG A 47 -8.501 0.154 -9.873 1.00 0.00 C ATOM 702 NE ARG A 47 -9.946 0.352 -9.956 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.797 -0.575 -10.386 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.355 -1.765 -10.773 1.00 0.00 N ATOM 705 NH2 ARG A 47 -12.097 -0.312 -10.431 1.00 0.00 N ATOM 0 H ARG A 47 -3.443 1.798 -8.877 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.507 2.562 -9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.188 -0.024 -8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.907 0.645 -7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.494 1.864 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.484 2.041 -9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.099 -0.003 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.292 -0.750 -9.300 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.324 1.254 -9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.357 -1.973 -10.742 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.013 -2.471 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.443 0.601 -10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.750 -1.023 -10.761 1.00 0.00 H new ATOM 719 N ILE A 48 -6.063 4.093 -7.434 1.00 0.00 N ATOM 720 CA ILE A 48 -6.334 5.084 -6.395 1.00 0.00 C ATOM 721 C ILE A 48 -7.843 5.275 -6.227 1.00 0.00 C ATOM 722 O ILE A 48 -8.616 4.989 -7.141 1.00 0.00 O ATOM 723 CB ILE A 48 -5.669 6.444 -6.737 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.258 6.515 -6.155 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.500 7.620 -6.231 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.531 7.792 -6.520 1.00 0.00 C ATOM 0 H ILE A 48 -6.184 4.442 -8.385 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.911 4.717 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.611 6.513 -7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.314 6.433 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.681 5.661 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.002 8.555 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.487 7.594 -6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.605 7.552 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.535 7.783 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.446 7.865 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.088 8.649 -6.142 1.00 0.00 H new ATOM 738 N GLN A 49 -8.255 5.769 -5.063 1.00 0.00 N ATOM 739 CA GLN A 49 -9.670 6.004 -4.795 1.00 0.00 C ATOM 740 C GLN A 49 -9.873 7.300 -4.014 1.00 0.00 C ATOM 741 O GLN A 49 -9.789 7.320 -2.786 1.00 0.00 O ATOM 742 CB GLN A 49 -10.276 4.827 -4.028 1.00 0.00 C ATOM 743 CG GLN A 49 -9.663 4.608 -2.656 1.00 0.00 C ATOM 744 CD GLN A 49 -9.464 3.139 -2.337 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.514 2.512 -2.805 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.366 2.581 -1.538 1.00 0.00 N ATOM 0 H GLN A 49 -7.632 6.013 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.180 6.098 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.347 4.992 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.154 3.919 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.703 5.121 -2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.305 5.057 -1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.138 3.139 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.287 1.595 -1.290 1.00 0.00 H new ATOM 755 N GLN A 50 -10.144 8.383 -4.738 1.00 0.00 N ATOM 756 CA GLN A 50 -10.364 9.685 -4.119 1.00 0.00 C ATOM 757 C GLN A 50 -11.856 9.945 -3.926 1.00 0.00 C ATOM 758 O GLN A 50 -12.608 10.055 -4.895 1.00 0.00 O ATOM 759 CB GLN A 50 -9.736 10.789 -4.976 1.00 0.00 C ATOM 760 CG GLN A 50 -8.800 11.706 -4.206 1.00 0.00 C ATOM 761 CD GLN A 50 -7.743 12.339 -5.088 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.510 11.897 -6.213 1.00 0.00 O ATOM 763 NE2 GLN A 50 -7.092 13.379 -4.579 1.00 0.00 N ATOM 0 H GLN A 50 -10.216 8.383 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.888 9.687 -3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.185 10.330 -5.797 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.531 11.387 -5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.383 12.491 -3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.313 11.138 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.317 13.713 -3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.367 13.844 -5.125 1.00 0.00 H new ATOM 772 N ARG A 51 -12.279 10.031 -2.668 1.00 0.00 N ATOM 773 CA ARG A 51 -13.683 10.264 -2.341 1.00 0.00 C ATOM 774 C ARG A 51 -14.216 11.527 -3.017 1.00 0.00 C ATOM 775 O ARG A 51 -14.860 11.454 -4.063 1.00 0.00 O ATOM 776 CB ARG A 51 -13.865 10.361 -0.822 1.00 0.00 C ATOM 777 CG ARG A 51 -13.520 9.078 -0.083 1.00 0.00 C ATOM 778 CD ARG A 51 -14.293 7.889 -0.633 1.00 0.00 C ATOM 779 NE ARG A 51 -14.600 6.907 0.404 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.547 7.074 1.326 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.280 8.180 1.342 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.761 6.131 2.234 1.00 0.00 N ATOM 0 H ARG A 51 -11.668 9.943 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.256 9.417 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.240 11.169 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.899 10.628 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.450 8.887 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.742 9.198 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.220 8.238 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.711 7.413 -1.422 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.058 6.043 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.120 8.908 0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.004 8.302 2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.201 5.279 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.486 6.258 2.940 1.00 0.00 H new ATOM 796 N ASN A 52 -13.950 12.684 -2.414 1.00 0.00 N ATOM 797 CA ASN A 52 -14.413 13.956 -2.965 1.00 0.00 C ATOM 798 C ASN A 52 -13.302 14.649 -3.748 1.00 0.00 C ATOM 799 O ASN A 52 -13.325 15.867 -3.928 1.00 0.00 O ATOM 800 CB ASN A 52 -14.920 14.888 -1.852 1.00 0.00 C ATOM 801 CG ASN A 52 -15.063 14.195 -0.507 1.00 0.00 C ATOM 802 OD1 ASN A 52 -14.128 13.560 -0.019 1.00 0.00 O ATOM 803 ND2 ASN A 52 -16.237 14.320 0.099 1.00 0.00 N ATOM 0 H ASN A 52 -13.419 12.767 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.238 13.737 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.232 15.727 -1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.885 15.301 -2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.392 13.880 1.006 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.984 14.856 -0.342 1.00 0.00 H new ATOM 810 N GLY A 53 -12.330 13.871 -4.205 1.00 0.00 N ATOM 811 CA GLY A 53 -11.225 14.432 -4.954 1.00 0.00 C ATOM 812 C GLY A 53 -10.083 14.864 -4.057 1.00 0.00 C ATOM 813 O GLY A 53 -9.189 15.594 -4.486 1.00 0.00 O ATOM 0 H GLY A 53 -12.288 12.861 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.863 13.694 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.576 15.289 -5.529 1.00 0.00 H new ATOM 817 N ARG A 54 -10.113 14.415 -2.805 1.00 0.00 N ATOM 818 CA ARG A 54 -9.075 14.761 -1.846 1.00 0.00 C ATOM 819 C ARG A 54 -8.709 13.561 -0.978 1.00 0.00 C ATOM 820 O ARG A 54 -7.531 13.275 -0.766 1.00 0.00 O ATOM 821 CB ARG A 54 -9.536 15.929 -0.973 1.00 0.00 C ATOM 822 CG ARG A 54 -10.915 15.733 -0.361 1.00 0.00 C ATOM 823 CD ARG A 54 -10.832 15.471 1.134 1.00 0.00 C ATOM 824 NE ARG A 54 -10.682 16.707 1.897 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.727 16.768 3.226 1.00 0.00 C ATOM 826 NH1 ARG A 54 -10.916 15.668 3.941 1.00 0.00 N ATOM 827 NH2 ARG A 54 -10.583 17.935 3.840 1.00 0.00 N ATOM 0 H ARG A 54 -10.846 13.811 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.184 15.061 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.812 16.080 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.541 16.839 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.523 16.619 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.415 14.897 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.731 14.949 1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.988 14.812 1.341 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.534 17.575 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.028 14.769 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.950 15.721 4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.438 18.784 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.617 17.983 4.858 1.00 0.00 H new ATOM 841 N LYS A 55 -9.723 12.855 -0.484 1.00 0.00 N ATOM 842 CA LYS A 55 -9.497 11.681 0.350 1.00 0.00 C ATOM 843 C LYS A 55 -9.036 10.504 -0.502 1.00 0.00 C ATOM 844 O LYS A 55 -9.746 9.509 -0.647 1.00 0.00 O ATOM 845 CB LYS A 55 -10.773 11.313 1.110 1.00 0.00 C ATOM 846 CG LYS A 55 -10.536 10.373 2.281 1.00 0.00 C ATOM 847 CD LYS A 55 -9.633 11.001 3.331 1.00 0.00 C ATOM 848 CE LYS A 55 -10.215 12.303 3.862 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.603 12.695 5.162 1.00 0.00 N ATOM 0 H LYS A 55 -10.705 13.076 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.715 11.917 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.243 12.225 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.476 10.848 0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.491 10.108 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.086 9.448 1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.491 10.302 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.650 11.190 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.056 13.096 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.293 12.195 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.026 13.587 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.777 11.950 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.578 12.823 5.039 1.00 0.00 H new ATOM 863 N THR A 56 -7.844 10.634 -1.074 1.00 0.00 N ATOM 864 CA THR A 56 -7.282 9.594 -1.924 1.00 0.00 C ATOM 865 C THR A 56 -6.798 8.407 -1.097 1.00 0.00 C ATOM 866 O THR A 56 -6.272 8.574 0.002 1.00 0.00 O ATOM 867 CB THR A 56 -6.133 10.168 -2.754 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.133 11.583 -2.704 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.185 9.762 -4.210 1.00 0.00 C ATOM 0 H THR A 56 -7.247 11.454 -0.963 1.00 0.00 H new ATOM 0 HA THR A 56 -8.065 9.237 -2.593 1.00 0.00 H new ATOM 0 HB THR A 56 -5.226 9.758 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.390 11.929 -3.240 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.342 10.203 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.134 8.676 -4.287 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.117 10.114 -4.653 1.00 0.00 H new ATOM 877 N LEU A 57 -6.985 7.207 -1.637 1.00 0.00 N ATOM 878 CA LEU A 57 -6.572 5.987 -0.954 1.00 0.00 C ATOM 879 C LEU A 57 -5.994 4.978 -1.945 1.00 0.00 C ATOM 880 O LEU A 57 -6.725 4.190 -2.541 1.00 0.00 O ATOM 881 CB LEU A 57 -7.761 5.370 -0.214 1.00 0.00 C ATOM 882 CG LEU A 57 -7.814 5.666 1.286 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.232 5.505 1.812 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.855 4.758 2.041 1.00 0.00 C ATOM 0 H LEU A 57 -7.420 7.054 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.796 6.245 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.682 5.730 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.736 4.289 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.506 6.699 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.250 5.720 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.894 6.197 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.569 4.483 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.905 4.982 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.133 3.717 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.839 4.924 1.683 1.00 0.00 H new ATOM 896 N THR A 58 -4.677 5.010 -2.118 1.00 0.00 N ATOM 897 CA THR A 58 -4.007 4.099 -3.040 1.00 0.00 C ATOM 898 C THR A 58 -4.043 2.666 -2.515 1.00 0.00 C ATOM 899 O THR A 58 -3.521 2.377 -1.440 1.00 0.00 O ATOM 900 CB THR A 58 -2.559 4.540 -3.252 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.507 5.855 -3.780 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.788 3.641 -4.195 1.00 0.00 C ATOM 0 H THR A 58 -4.053 5.655 -1.633 1.00 0.00 H new ATOM 0 HA THR A 58 -4.536 4.128 -3.993 1.00 0.00 H new ATOM 0 HB THR A 58 -2.097 4.488 -2.266 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.290 5.816 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.769 4.012 -4.300 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.766 2.627 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.274 3.635 -5.171 1.00 0.00 H new ATOM 910 N THR A 59 -4.662 1.772 -3.282 1.00 0.00 N ATOM 911 CA THR A 59 -4.759 0.372 -2.884 1.00 0.00 C ATOM 912 C THR A 59 -3.770 -0.490 -3.659 1.00 0.00 C ATOM 913 O THR A 59 -3.211 -0.062 -4.668 1.00 0.00 O ATOM 914 CB THR A 59 -6.182 -0.154 -3.100 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.893 0.672 -4.004 1.00 0.00 O ATOM 916 CG2 THR A 59 -6.988 -0.239 -1.823 1.00 0.00 C ATOM 0 H THR A 59 -5.101 1.991 -4.176 1.00 0.00 H new ATOM 0 HA THR A 59 -4.514 0.314 -1.823 1.00 0.00 H new ATOM 0 HB THR A 59 -6.059 -1.160 -3.501 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.555 1.201 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.985 -0.619 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.492 -0.912 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.069 0.752 -1.377 1.00 0.00 H new ATOM 924 N VAL A 60 -3.563 -1.711 -3.177 1.00 0.00 N ATOM 925 CA VAL A 60 -2.645 -2.644 -3.820 1.00 0.00 C ATOM 926 C VAL A 60 -3.264 -4.032 -3.944 1.00 0.00 C ATOM 927 O VAL A 60 -3.568 -4.679 -2.942 1.00 0.00 O ATOM 928 CB VAL A 60 -1.321 -2.756 -3.044 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.334 -3.647 -3.785 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.730 -1.377 -2.809 1.00 0.00 C ATOM 0 H VAL A 60 -4.019 -2.078 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.443 -2.248 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.526 -3.214 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.595 -3.712 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.759 -4.644 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.130 -3.224 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.206 -1.471 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.541 -0.894 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.431 -0.774 -2.231 1.00 0.00 H new ATOM 940 N GLN A 61 -3.438 -4.486 -5.179 1.00 0.00 N ATOM 941 CA GLN A 61 -4.010 -5.804 -5.434 1.00 0.00 C ATOM 942 C GLN A 61 -2.954 -6.734 -6.015 1.00 0.00 C ATOM 943 O GLN A 61 -2.127 -6.320 -6.828 1.00 0.00 O ATOM 944 CB GLN A 61 -5.210 -5.715 -6.386 1.00 0.00 C ATOM 945 CG GLN A 61 -5.670 -4.295 -6.678 1.00 0.00 C ATOM 946 CD GLN A 61 -7.025 -4.239 -7.362 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.778 -3.279 -7.190 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.344 -5.263 -8.149 1.00 0.00 N ATOM 0 H GLN A 61 -3.192 -3.963 -6.019 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.359 -6.207 -4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.950 -6.201 -7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.042 -6.274 -5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.717 -3.735 -5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.930 -3.802 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.693 -6.039 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.240 -5.272 -8.636 1.00 0.00 H new ATOM 957 N GLY A 62 -2.982 -7.989 -5.590 1.00 0.00 N ATOM 958 CA GLY A 62 -2.016 -8.955 -6.074 1.00 0.00 C ATOM 959 C GLY A 62 -1.032 -9.373 -4.998 1.00 0.00 C ATOM 960 O GLY A 62 -0.448 -10.454 -5.066 1.00 0.00 O ATOM 0 H GLY A 62 -3.656 -8.356 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.541 -9.835 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.471 -8.530 -6.917 1.00 0.00 H new ATOM 964 N ILE A 63 -0.851 -8.510 -4.003 1.00 0.00 N ATOM 965 CA ILE A 63 0.066 -8.785 -2.904 1.00 0.00 C ATOM 966 C ILE A 63 -0.508 -9.834 -1.956 1.00 0.00 C ATOM 967 O ILE A 63 -1.718 -9.892 -1.735 1.00 0.00 O ATOM 968 CB ILE A 63 0.393 -7.492 -2.118 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.212 -6.523 -2.985 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.130 -7.806 -0.821 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.218 -7.199 -3.894 1.00 0.00 C ATOM 0 H ILE A 63 -1.329 -7.612 -3.936 1.00 0.00 H new ATOM 0 HA ILE A 63 0.986 -9.175 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.550 -7.011 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.528 -5.933 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.739 -5.827 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.346 -6.878 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.508 -8.445 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.064 -8.320 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.753 -6.444 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.928 -7.767 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.698 -7.874 -4.574 1.00 0.00 H new ATOM 983 N ALA A 64 0.373 -10.657 -1.401 1.00 0.00 N ATOM 984 CA ALA A 64 -0.035 -11.705 -0.476 1.00 0.00 C ATOM 985 C ALA A 64 -0.211 -11.151 0.933 1.00 0.00 C ATOM 986 O ALA A 64 0.590 -10.340 1.396 1.00 0.00 O ATOM 987 CB ALA A 64 0.982 -12.836 -0.478 1.00 0.00 C ATOM 0 H ALA A 64 1.377 -10.618 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.996 -12.097 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.664 -13.612 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.057 -13.256 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.955 -12.451 -0.172 1.00 0.00 H new ATOM 993 N ASP A 65 -1.261 -11.599 1.611 1.00 0.00 N ATOM 994 CA ASP A 65 -1.540 -11.151 2.971 1.00 0.00 C ATOM 995 C ASP A 65 -0.462 -11.632 3.941 1.00 0.00 C ATOM 996 O ASP A 65 -0.397 -11.177 5.083 1.00 0.00 O ATOM 997 CB ASP A 65 -2.911 -11.654 3.425 1.00 0.00 C ATOM 998 CG ASP A 65 -3.082 -13.145 3.204 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.173 -13.565 2.031 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.126 -13.892 4.203 1.00 0.00 O ATOM 0 H ASP A 65 -1.933 -12.272 1.242 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.540 -10.061 2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.046 -11.428 4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.690 -11.117 2.883 1.00 0.00 H new ATOM 1005 N ASP A 66 0.380 -12.557 3.483 1.00 0.00 N ATOM 1006 CA ASP A 66 1.448 -13.095 4.318 1.00 0.00 C ATOM 1007 C ASP A 66 2.749 -12.314 4.134 1.00 0.00 C ATOM 1008 O ASP A 66 3.834 -12.841 4.378 1.00 0.00 O ATOM 1009 CB ASP A 66 1.676 -14.574 3.991 1.00 0.00 C ATOM 1010 CG ASP A 66 1.012 -15.496 4.995 1.00 0.00 C ATOM 1011 OD1 ASP A 66 -0.170 -15.843 4.791 1.00 0.00 O ATOM 1012 OD2 ASP A 66 1.675 -15.871 5.985 1.00 0.00 O ATOM 0 H ASP A 66 0.342 -12.947 2.541 1.00 0.00 H new ATOM 0 HA ASP A 66 1.140 -12.997 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.289 -14.787 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.747 -14.777 3.967 1.00 0.00 H new ATOM 1017 N TYR A 67 2.639 -11.056 3.706 1.00 0.00 N ATOM 1018 CA TYR A 67 3.812 -10.216 3.501 1.00 0.00 C ATOM 1019 C TYR A 67 4.247 -9.535 4.799 1.00 0.00 C ATOM 1020 O TYR A 67 4.906 -8.495 4.767 1.00 0.00 O ATOM 1021 CB TYR A 67 3.508 -9.152 2.450 1.00 0.00 C ATOM 1022 CG TYR A 67 3.704 -9.605 1.021 1.00 0.00 C ATOM 1023 CD1 TYR A 67 3.774 -10.954 0.687 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.818 -8.673 0.004 1.00 0.00 C ATOM 1025 CE1 TYR A 67 3.953 -11.353 -0.625 1.00 0.00 C ATOM 1026 CE2 TYR A 67 3.995 -9.061 -1.307 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.064 -10.403 -1.618 1.00 0.00 C ATOM 1028 OH TYR A 67 4.242 -10.795 -2.925 1.00 0.00 O ATOM 0 H TYR A 67 1.751 -10.600 3.496 1.00 0.00 H new ATOM 0 HA TYR A 67 4.626 -10.856 3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.477 -8.821 2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.145 -8.286 2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.687 -11.700 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.767 -7.621 0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.006 -12.403 -0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.079 -8.318 -2.086 1.00 0.00 H new ATOM 0 HH TYR A 67 4.300 -10.003 -3.499 1.00 0.00 H new ATOM 1038 N ASP A 68 3.874 -10.121 5.939 1.00 0.00 N ATOM 1039 CA ASP A 68 4.221 -9.574 7.251 1.00 0.00 C ATOM 1040 C ASP A 68 3.279 -8.439 7.660 1.00 0.00 C ATOM 1041 O ASP A 68 3.202 -8.089 8.838 1.00 0.00 O ATOM 1042 CB ASP A 68 5.671 -9.084 7.260 1.00 0.00 C ATOM 1043 CG ASP A 68 6.246 -8.999 8.661 1.00 0.00 C ATOM 1044 OD1 ASP A 68 5.665 -9.615 9.580 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.277 -8.318 8.839 1.00 0.00 O ATOM 0 H ASP A 68 3.327 -10.981 5.978 1.00 0.00 H new ATOM 0 HA ASP A 68 4.110 -10.377 7.979 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.283 -9.758 6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.722 -8.102 6.789 1.00 0.00 H new ATOM 1050 N LYS A 69 2.561 -7.872 6.692 1.00 0.00 N ATOM 1051 CA LYS A 69 1.624 -6.783 6.961 1.00 0.00 C ATOM 1052 C LYS A 69 2.349 -5.538 7.466 1.00 0.00 C ATOM 1053 O LYS A 69 2.491 -4.555 6.738 1.00 0.00 O ATOM 1054 CB LYS A 69 0.570 -7.226 7.979 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.462 -6.154 8.292 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.316 -6.535 9.491 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.559 -5.344 10.403 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.660 -5.748 11.832 1.00 0.00 N ATOM 0 H LYS A 69 2.611 -8.150 5.712 1.00 0.00 H new ATOM 0 HA LYS A 69 1.130 -6.530 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.059 -8.111 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.069 -7.519 8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.043 -5.208 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.102 -5.999 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.271 -6.932 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.824 -7.330 10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.747 -4.626 10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.477 -4.839 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.826 -4.906 12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.450 -6.414 11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.774 -6.207 12.126 1.00 0.00 H new ATOM 1072 N LYS A 70 2.800 -5.582 8.717 1.00 0.00 N ATOM 1073 CA LYS A 70 3.506 -4.454 9.317 1.00 0.00 C ATOM 1074 C LYS A 70 4.656 -3.985 8.429 1.00 0.00 C ATOM 1075 O LYS A 70 4.813 -2.791 8.180 1.00 0.00 O ATOM 1076 CB LYS A 70 4.037 -4.835 10.700 1.00 0.00 C ATOM 1077 CG LYS A 70 5.089 -5.932 10.668 1.00 0.00 C ATOM 1078 CD LYS A 70 5.501 -6.352 12.069 1.00 0.00 C ATOM 1079 CE LYS A 70 6.603 -5.461 12.619 1.00 0.00 C ATOM 1080 NZ LYS A 70 6.181 -4.758 13.863 1.00 0.00 N ATOM 0 H LYS A 70 2.689 -6.386 9.334 1.00 0.00 H new ATOM 0 HA LYS A 70 2.797 -3.632 9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.462 -3.950 11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.204 -5.161 11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.699 -6.795 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.964 -5.582 10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.636 -6.312 12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.843 -7.387 12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.488 -6.063 12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.886 -4.726 11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.960 -4.161 14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.352 -4.163 13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.935 -5.459 14.591 1.00 0.00 H new ATOM 1094 N LYS A 71 5.454 -4.931 7.951 1.00 0.00 N ATOM 1095 CA LYS A 71 6.587 -4.610 7.090 1.00 0.00 C ATOM 1096 C LYS A 71 6.144 -3.865 5.830 1.00 0.00 C ATOM 1097 O LYS A 71 6.971 -3.299 5.117 1.00 0.00 O ATOM 1098 CB LYS A 71 7.339 -5.887 6.706 1.00 0.00 C ATOM 1099 CG LYS A 71 8.843 -5.788 6.903 1.00 0.00 C ATOM 1100 CD LYS A 71 9.525 -5.152 5.701 1.00 0.00 C ATOM 1101 CE LYS A 71 10.280 -6.182 4.877 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.030 -5.554 3.756 1.00 0.00 N ATOM 0 H LYS A 71 5.339 -5.926 8.144 1.00 0.00 H new ATOM 0 HA LYS A 71 7.253 -3.954 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.957 -6.717 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.132 -6.121 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.056 -5.200 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.255 -6.783 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.779 -4.661 5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.215 -4.379 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.974 -6.723 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.577 -6.914 4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.911 -6.125 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.665 -4.595 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.040 -5.502 4.000 1.00 0.00 H new ATOM 1116 N LEU A 72 4.840 -3.872 5.554 1.00 0.00 N ATOM 1117 CA LEU A 72 4.310 -3.196 4.375 1.00 0.00 C ATOM 1118 C LEU A 72 3.778 -1.813 4.730 1.00 0.00 C ATOM 1119 O LEU A 72 4.230 -0.811 4.184 1.00 0.00 O ATOM 1120 CB LEU A 72 3.199 -4.034 3.734 1.00 0.00 C ATOM 1121 CG LEU A 72 3.647 -5.347 3.071 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.054 -5.733 3.510 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.661 -6.462 3.391 1.00 0.00 C ATOM 0 H LEU A 72 4.136 -4.336 6.128 1.00 0.00 H new ATOM 0 HA LEU A 72 5.125 -3.078 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.460 -4.270 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.697 -3.423 2.984 1.00 0.00 H new ATOM 0 HG LEU A 72 3.665 -5.194 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.344 -6.665 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.752 -4.945 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.074 -5.865 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.990 -7.386 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.613 -6.606 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.673 -6.193 3.017 1.00 0.00 H new ATOM 1135 N VAL A 73 2.815 -1.767 5.646 1.00 0.00 N ATOM 1136 CA VAL A 73 2.222 -0.504 6.068 1.00 0.00 C ATOM 1137 C VAL A 73 3.126 0.210 7.068 1.00 0.00 C ATOM 1138 O VAL A 73 3.443 1.387 6.899 1.00 0.00 O ATOM 1139 CB VAL A 73 0.819 -0.726 6.680 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.428 0.408 7.621 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.216 -0.884 5.576 1.00 0.00 C ATOM 0 H VAL A 73 2.429 -2.590 6.109 1.00 0.00 H new ATOM 0 HA VAL A 73 2.115 0.125 5.184 1.00 0.00 H new ATOM 0 HB VAL A 73 0.854 -1.642 7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.564 0.215 8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.151 0.471 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.417 1.349 7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.200 -1.040 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.233 0.016 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.042 -1.742 4.955 1.00 0.00 H new ATOM 1151 N LYS A 74 3.545 -0.507 8.106 1.00 0.00 N ATOM 1152 CA LYS A 74 4.420 0.071 9.122 1.00 0.00 C ATOM 1153 C LYS A 74 5.638 0.707 8.463 1.00 0.00 C ATOM 1154 O LYS A 74 6.044 1.815 8.815 1.00 0.00 O ATOM 1155 CB LYS A 74 4.865 -0.995 10.124 1.00 0.00 C ATOM 1156 CG LYS A 74 5.067 -0.461 11.533 1.00 0.00 C ATOM 1157 CD LYS A 74 3.773 -0.494 12.330 1.00 0.00 C ATOM 1158 CE LYS A 74 3.651 0.712 13.246 1.00 0.00 C ATOM 1159 NZ LYS A 74 4.791 0.804 14.200 1.00 0.00 N ATOM 0 H LYS A 74 3.295 -1.483 8.266 1.00 0.00 H new ATOM 0 HA LYS A 74 3.862 0.838 9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.120 -1.791 10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.797 -1.441 9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.826 -1.055 12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.441 0.562 11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.924 -0.520 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.733 -1.408 12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.606 1.621 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.716 0.652 13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.604 1.557 14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.903 -0.103 14.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.664 1.023 13.678 1.00 0.00 H new ATOM 1173 N ALA A 75 6.201 0.001 7.488 1.00 0.00 N ATOM 1174 CA ALA A 75 7.359 0.497 6.760 1.00 0.00 C ATOM 1175 C ALA A 75 6.963 1.665 5.866 1.00 0.00 C ATOM 1176 O ALA A 75 7.610 2.711 5.874 1.00 0.00 O ATOM 1177 CB ALA A 75 7.984 -0.617 5.934 1.00 0.00 C ATOM 0 H ALA A 75 5.873 -0.916 7.185 1.00 0.00 H new ATOM 0 HA ALA A 75 8.097 0.848 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.849 -0.229 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.299 -1.426 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.252 -0.995 5.220 1.00 0.00 H new ATOM 1183 N PHE A 76 5.886 1.483 5.098 1.00 0.00 N ATOM 1184 CA PHE A 76 5.397 2.534 4.203 1.00 0.00 C ATOM 1185 C PHE A 76 5.339 3.882 4.922 1.00 0.00 C ATOM 1186 O PHE A 76 5.796 4.897 4.397 1.00 0.00 O ATOM 1187 CB PHE A 76 4.007 2.177 3.666 1.00 0.00 C ATOM 1188 CG PHE A 76 3.664 2.881 2.385 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.056 2.354 1.166 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.960 4.074 2.399 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.753 3.001 -0.014 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.655 4.727 1.222 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.052 4.191 0.012 1.00 0.00 C ATOM 0 H PHE A 76 5.339 0.623 5.078 1.00 0.00 H new ATOM 0 HA PHE A 76 6.094 2.613 3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.953 1.100 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.260 2.425 4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.606 1.425 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.646 4.498 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.064 2.577 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.106 5.657 1.247 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.815 4.701 -0.910 1.00 0.00 H new ATOM 1203 N LYS A 77 4.778 3.882 6.129 1.00 0.00 N ATOM 1204 CA LYS A 77 4.663 5.103 6.922 1.00 0.00 C ATOM 1205 C LYS A 77 6.039 5.663 7.269 1.00 0.00 C ATOM 1206 O LYS A 77 6.189 6.856 7.527 1.00 0.00 O ATOM 1207 CB LYS A 77 3.881 4.832 8.208 1.00 0.00 C ATOM 1208 CG LYS A 77 2.489 4.267 7.975 1.00 0.00 C ATOM 1209 CD LYS A 77 2.140 3.196 8.996 1.00 0.00 C ATOM 1210 CE LYS A 77 1.120 3.700 10.006 1.00 0.00 C ATOM 1211 NZ LYS A 77 1.746 4.562 11.046 1.00 0.00 N ATOM 0 H LYS A 77 4.396 3.050 6.579 1.00 0.00 H new ATOM 0 HA LYS A 77 4.128 5.840 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.447 4.134 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.796 5.761 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.756 5.072 8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.430 3.846 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.744 2.319 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.044 2.880 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.344 4.263 9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.633 2.850 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.017 4.884 11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.469 4.018 11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.189 5.386 10.593 1.00 0.00 H new ATOM 1225 N LYS A 78 7.041 4.795 7.281 1.00 0.00 N ATOM 1226 CA LYS A 78 8.403 5.203 7.603 1.00 0.00 C ATOM 1227 C LYS A 78 9.127 5.738 6.370 1.00 0.00 C ATOM 1228 O LYS A 78 10.149 6.414 6.486 1.00 0.00 O ATOM 1229 CB LYS A 78 9.178 4.020 8.180 1.00 0.00 C ATOM 1230 CG LYS A 78 10.227 4.418 9.205 1.00 0.00 C ATOM 1231 CD LYS A 78 11.298 3.349 9.351 1.00 0.00 C ATOM 1232 CE LYS A 78 10.705 2.021 9.797 1.00 0.00 C ATOM 1233 NZ LYS A 78 9.810 2.180 10.976 1.00 0.00 N ATOM 0 H LYS A 78 6.937 3.802 7.071 1.00 0.00 H new ATOM 0 HA LYS A 78 8.349 6.002 8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.475 3.328 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.664 3.483 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.689 5.359 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.748 4.589 10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.813 3.217 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.044 3.677 10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.145 1.579 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.510 1.328 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.858 1.325 11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.114 3.003 11.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.832 2.323 10.653 1.00 0.00 H new ATOM 1247 N LYS A 79 8.604 5.417 5.192 1.00 0.00 N ATOM 1248 CA LYS A 79 9.219 5.853 3.943 1.00 0.00 C ATOM 1249 C LYS A 79 8.448 7.000 3.293 1.00 0.00 C ATOM 1250 O LYS A 79 9.046 7.886 2.681 1.00 0.00 O ATOM 1251 CB LYS A 79 9.314 4.676 2.969 1.00 0.00 C ATOM 1252 CG LYS A 79 10.635 4.610 2.223 1.00 0.00 C ATOM 1253 CD LYS A 79 10.446 4.117 0.797 1.00 0.00 C ATOM 1254 CE LYS A 79 11.417 4.792 -0.160 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.770 4.172 -0.108 1.00 0.00 N ATOM 0 H LYS A 79 7.759 4.858 5.075 1.00 0.00 H new ATOM 0 HA LYS A 79 10.218 6.219 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.171 3.747 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.501 4.747 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.096 5.598 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.319 3.946 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.591 3.037 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.423 4.312 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.028 4.729 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.493 5.851 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.262 4.336 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.317 4.597 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.677 3.149 0.054 1.00 0.00 H new ATOM 1269 N PHE A 80 7.123 6.976 3.406 1.00 0.00 N ATOM 1270 CA PHE A 80 6.292 8.015 2.801 1.00 0.00 C ATOM 1271 C PHE A 80 5.479 8.783 3.842 1.00 0.00 C ATOM 1272 O PHE A 80 4.877 9.810 3.527 1.00 0.00 O ATOM 1273 CB PHE A 80 5.350 7.399 1.765 1.00 0.00 C ATOM 1274 CG PHE A 80 6.005 6.355 0.907 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.002 5.024 1.289 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.626 6.707 -0.281 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.607 4.061 0.504 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.233 5.750 -1.070 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.224 4.426 -0.677 1.00 0.00 C ATOM 0 H PHE A 80 6.604 6.255 3.907 1.00 0.00 H new ATOM 0 HA PHE A 80 6.964 8.723 2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.498 6.954 2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.958 8.190 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.521 4.735 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.635 7.741 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.598 3.026 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.714 6.037 -1.993 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.699 3.676 -1.293 1.00 0.00 H new ATOM 1289 N ALA A 81 5.454 8.290 5.075 1.00 0.00 N ATOM 1290 CA ALA A 81 4.701 8.949 6.136 1.00 0.00 C ATOM 1291 C ALA A 81 3.213 8.970 5.806 1.00 0.00 C ATOM 1292 O ALA A 81 2.497 9.901 6.176 1.00 0.00 O ATOM 1293 CB ALA A 81 5.218 10.363 6.353 1.00 0.00 C ATOM 0 H ALA A 81 5.943 7.442 5.364 1.00 0.00 H new ATOM 0 HA ALA A 81 4.839 8.384 7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.646 10.842 7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.270 10.326 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.109 10.936 5.432 1.00 0.00 H new ATOM 1299 N CYS A 82 2.756 7.935 5.110 1.00 0.00 N ATOM 1300 CA CYS A 82 1.353 7.827 4.730 1.00 0.00 C ATOM 1301 C CYS A 82 0.658 6.746 5.548 1.00 0.00 C ATOM 1302 O CYS A 82 1.306 5.844 6.077 1.00 0.00 O ATOM 1303 CB CYS A 82 1.227 7.515 3.238 1.00 0.00 C ATOM 1304 SG CYS A 82 2.253 8.560 2.176 1.00 0.00 S ATOM 0 H CYS A 82 3.338 7.158 4.797 1.00 0.00 H new ATOM 0 HA CYS A 82 0.870 8.783 4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.496 6.472 3.072 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.184 7.627 2.941 1.00 0.00 H new ATOM 0 HG CYS A 82 3.163 9.148 2.894 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.663 6.839 5.650 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.439 5.868 6.406 1.00 0.00 C ATOM 1312 C ASN A 83 -1.769 4.653 5.542 1.00 0.00 C ATOM 1313 O ASN A 83 -2.384 4.779 4.484 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.717 6.529 6.945 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.906 5.587 6.995 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.502 5.332 5.836 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.282 5.096 8.059 1.00 0.00 N flip ATOM 0 H ASN A 83 -1.218 7.578 5.218 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.846 5.520 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.524 6.913 7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.967 7.385 6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.793 5.321 8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.083 4.464 8.074 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.358 3.478 6.005 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.622 2.257 5.268 1.00 0.00 C ATOM 1326 C GLY A 84 -2.579 1.341 6.001 1.00 0.00 C ATOM 1327 O GLY A 84 -2.375 1.031 7.173 1.00 0.00 O ATOM 0 H GLY A 84 -0.846 3.349 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.037 2.507 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.683 1.732 5.090 1.00 0.00 H new ATOM 1331 N THR A 85 -3.633 0.910 5.316 1.00 0.00 N ATOM 1332 CA THR A 85 -4.623 0.028 5.926 1.00 0.00 C ATOM 1333 C THR A 85 -4.896 -1.193 5.054 1.00 0.00 C ATOM 1334 O THR A 85 -5.415 -1.075 3.945 1.00 0.00 O ATOM 1335 CB THR A 85 -5.924 0.789 6.183 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.393 1.398 4.994 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.782 1.871 7.229 1.00 0.00 C ATOM 0 H THR A 85 -3.824 1.155 4.344 1.00 0.00 H new ATOM 0 HA THR A 85 -4.217 -0.320 6.876 1.00 0.00 H new ATOM 0 HB THR A 85 -6.630 0.043 6.547 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.630 1.650 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.740 2.374 7.365 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.469 1.425 8.173 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.035 2.595 6.904 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.549 -2.368 5.572 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.761 -3.618 4.850 1.00 0.00 C ATOM 1347 C VAL A 86 -6.236 -4.014 4.870 1.00 0.00 C ATOM 1348 O VAL A 86 -6.781 -4.356 5.919 1.00 0.00 O ATOM 1349 CB VAL A 86 -3.920 -4.762 5.452 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.309 -5.009 6.904 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.070 -6.034 4.626 1.00 0.00 C ATOM 0 H VAL A 86 -4.119 -2.480 6.490 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.446 -3.452 3.820 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.872 -4.465 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.704 -5.820 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.139 -4.103 7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.363 -5.281 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.468 -6.828 5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.117 -6.337 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.732 -5.848 3.607 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.878 -3.960 3.706 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.291 -4.310 3.599 1.00 0.00 C ATOM 1363 C ILE A 87 -8.505 -5.468 2.632 1.00 0.00 C ATOM 1364 O ILE A 87 -7.661 -5.747 1.781 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.134 -3.110 3.125 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.562 -2.539 1.826 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.190 -2.038 4.201 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.495 -1.573 1.129 1.00 0.00 C ATOM 0 H ILE A 87 -6.444 -3.678 2.827 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.613 -4.607 4.597 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.150 -3.455 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.623 -2.031 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.330 -3.361 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.789 -1.199 3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.640 -2.451 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.180 -1.694 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.025 -1.208 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.426 -2.082 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.707 -0.732 1.789 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.649 -6.133 2.763 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.988 -7.253 1.898 1.00 0.00 C ATOM 1382 C GLU A 88 -11.108 -6.864 0.939 1.00 0.00 C ATOM 1383 O GLU A 88 -12.246 -7.311 1.080 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.409 -8.460 2.734 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.315 -9.775 1.980 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.802 -10.955 2.799 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -10.816 -10.849 4.043 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.169 -11.984 2.194 1.00 0.00 O ATOM 0 H GLU A 88 -10.358 -5.913 3.463 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.106 -7.519 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.782 -8.514 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.434 -8.317 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.902 -9.707 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.280 -9.946 1.684 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.774 -6.019 -0.030 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.744 -5.552 -1.013 1.00 0.00 C ATOM 1397 C HIS A 89 -12.430 -6.725 -1.715 1.00 0.00 C ATOM 1398 O HIS A 89 -11.774 -7.686 -2.116 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.051 -4.661 -2.045 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.920 -3.560 -2.566 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.427 -3.546 -3.848 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.373 -2.430 -1.971 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.155 -2.456 -4.020 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.138 -1.763 -2.896 1.00 0.00 N ATOM 0 H HIS A 89 -9.835 -5.642 -0.156 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.508 -4.977 -0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.158 -4.226 -1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.720 -5.277 -2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.170 -2.113 -0.959 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.675 -2.179 -4.925 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.616 -0.876 -2.740 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.764 -6.662 -1.876 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.529 -7.721 -2.537 1.00 0.00 C ATOM 1415 C PRO A 90 -14.398 -7.666 -4.057 1.00 0.00 C ATOM 1416 O PRO A 90 -14.690 -8.640 -4.752 1.00 0.00 O ATOM 1417 CB PRO A 90 -15.966 -7.421 -2.114 1.00 0.00 C ATOM 1418 CG PRO A 90 -15.999 -5.944 -1.928 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.631 -5.551 -1.432 1.00 0.00 C ATOM 0 HA PRO A 90 -14.183 -8.716 -2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.679 -7.741 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.226 -7.943 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.233 -5.439 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.769 -5.659 -1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.310 -4.599 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.615 -5.439 -0.348 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.957 -6.519 -4.565 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.785 -6.329 -6.000 1.00 0.00 C ATOM 1429 C GLU A 91 -12.454 -6.906 -6.474 1.00 0.00 C ATOM 1430 O GLU A 91 -12.296 -7.247 -7.646 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.863 -4.841 -6.341 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.997 -4.489 -7.287 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.347 -4.948 -6.774 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.738 -6.096 -7.073 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -17.015 -4.159 -6.072 1.00 0.00 O ATOM 0 H GLU A 91 -13.712 -5.705 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.587 -6.859 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.981 -4.272 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.919 -4.530 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.018 -3.410 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.808 -4.943 -8.260 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.497 -7.008 -5.556 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.177 -7.537 -5.884 1.00 0.00 C ATOM 1444 C TYR A 92 -9.830 -8.726 -4.994 1.00 0.00 C ATOM 1445 O TYR A 92 -9.464 -9.795 -5.484 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.116 -6.443 -5.732 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.630 -5.057 -6.052 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.308 -4.809 -7.237 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.446 -4.003 -5.166 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.787 -3.547 -7.533 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.921 -2.738 -5.456 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.591 -2.516 -6.641 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.068 -1.258 -6.932 1.00 0.00 O ATOM 0 H TYR A 92 -11.611 -6.732 -4.581 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.195 -7.876 -6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.737 -6.455 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.275 -6.670 -6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.464 -5.615 -7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.924 -4.175 -4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.313 -3.370 -8.460 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.768 -1.928 -4.759 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.847 -0.647 -6.199 1.00 0.00 H new ATOM 1463 N GLY A 93 -9.951 -8.534 -3.686 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.648 -9.600 -2.748 1.00 0.00 C ATOM 1465 C GLY A 93 -8.305 -9.416 -2.070 1.00 0.00 C ATOM 1466 O GLY A 93 -7.259 -9.638 -2.679 1.00 0.00 O ATOM 0 H GLY A 93 -10.254 -7.659 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.430 -9.645 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.658 -10.555 -3.273 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.334 -9.012 -0.804 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.110 -8.800 -0.040 1.00 0.00 C ATOM 1472 C GLU A 94 -6.217 -7.764 -0.716 1.00 0.00 C ATOM 1473 O GLU A 94 -5.376 -8.104 -1.549 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.350 -10.118 0.118 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.239 -10.060 1.154 1.00 0.00 C ATOM 1476 CD GLU A 94 -3.856 -10.076 0.529 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -3.484 -11.111 -0.062 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.147 -9.054 0.633 1.00 0.00 O ATOM 0 H GLU A 94 -9.192 -8.825 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.387 -8.426 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.054 -10.902 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.923 -10.399 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.353 -9.156 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.336 -10.907 1.833 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.404 -6.498 -0.355 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.615 -5.416 -0.929 1.00 0.00 C ATOM 1487 C VAL A 95 -5.328 -4.334 0.107 1.00 0.00 C ATOM 1488 O VAL A 95 -6.206 -3.954 0.881 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.332 -4.778 -2.134 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.480 -5.788 -3.262 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.690 -4.229 -1.722 1.00 0.00 C ATOM 0 H VAL A 95 -7.095 -6.197 0.332 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.674 -5.854 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.725 -3.948 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.989 -5.320 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.494 -6.129 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.064 -6.640 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.180 -3.783 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.307 -5.039 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.557 -3.471 -0.950 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.096 -3.835 0.109 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.703 -2.790 1.045 1.00 0.00 C ATOM 1503 C ILE A 96 -4.355 -1.469 0.654 1.00 0.00 C ATOM 1504 O ILE A 96 -4.749 -1.282 -0.495 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.162 -2.638 1.099 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.563 -3.759 1.961 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.749 -1.263 1.624 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.320 -3.373 3.406 1.00 0.00 C ATOM 0 H ILE A 96 -3.356 -4.137 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.045 -3.075 2.040 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.772 -2.721 0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.233 -4.619 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.619 -4.077 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.661 -1.194 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.148 -0.489 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.143 -1.125 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.896 -4.222 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.625 -2.534 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.264 -3.085 3.869 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.481 -0.562 1.614 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.101 0.731 1.356 1.00 0.00 C ATOM 1522 C GLN A 97 -4.275 1.869 1.945 1.00 0.00 C ATOM 1523 O GLN A 97 -4.412 2.204 3.121 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.518 0.765 1.935 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.569 1.253 0.952 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.757 1.896 1.642 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -8.595 2.712 2.549 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.959 1.530 1.214 1.00 0.00 N ATOM 0 H GLN A 97 -4.164 -0.697 2.574 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.149 0.867 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.787 -0.236 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.527 1.411 2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.117 1.972 0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.914 0.414 0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.046 0.850 0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.795 1.929 1.640 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.428 2.469 1.116 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.595 3.579 1.552 1.00 0.00 C ATOM 1539 C LEU A 98 -3.357 4.890 1.432 1.00 0.00 C ATOM 1540 O LEU A 98 -4.301 4.998 0.651 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.314 3.645 0.725 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.533 2.333 0.641 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.310 2.293 -0.627 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.338 2.151 1.878 1.00 0.00 C ATOM 0 H LEU A 98 -3.302 2.204 0.139 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.329 3.418 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.567 3.965 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.664 4.411 1.149 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.244 1.508 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.859 1.352 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.340 2.374 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.015 3.124 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.887 1.212 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.043 2.979 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.292 2.131 2.767 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.948 5.882 2.211 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.605 7.186 2.189 1.00 0.00 C ATOM 1558 C GLN A 99 -2.921 8.130 1.204 1.00 0.00 C ATOM 1559 O GLN A 99 -1.697 8.127 1.073 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.611 7.804 3.589 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.003 7.950 4.183 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.456 9.396 4.263 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.168 10.166 3.220 1.00 0.00 O flip ATOM 1564 NE2 GLN A 99 -6.057 9.816 5.252 1.00 0.00 N flip ATOM 0 H GLN A 99 -2.168 5.812 2.864 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.634 7.037 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.005 7.187 4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.138 8.785 3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.712 7.384 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.015 7.514 5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.257 9.189 6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.354 10.791 5.292 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.722 8.935 0.515 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.182 9.876 -0.449 1.00 0.00 C ATOM 1575 C GLY A 100 -2.897 9.231 -1.790 1.00 0.00 C ATOM 1576 O GLY A 100 -3.069 8.023 -1.954 1.00 0.00 O ATOM 0 H GLY A 100 -4.738 8.953 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.887 10.696 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.263 10.309 -0.054 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.456 10.036 -2.751 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.145 9.531 -4.083 1.00 0.00 C ATOM 1582 C ASP A 101 -0.768 8.877 -4.105 1.00 0.00 C ATOM 1583 O ASP A 101 0.197 9.447 -4.615 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.207 10.661 -5.113 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.354 11.851 -4.718 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.542 12.372 -3.599 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.497 12.262 -5.529 1.00 0.00 O ATOM 0 H ASP A 101 -2.306 11.038 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.890 8.779 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.875 10.285 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.241 10.983 -5.233 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.687 7.674 -3.547 1.00 0.00 N ATOM 1593 CA GLN A 102 0.564 6.930 -3.496 1.00 0.00 C ATOM 1594 C GLN A 102 0.731 6.052 -4.733 1.00 0.00 C ATOM 1595 O GLN A 102 1.639 5.226 -4.799 1.00 0.00 O ATOM 1596 CB GLN A 102 0.606 6.064 -2.236 1.00 0.00 C ATOM 1597 CG GLN A 102 1.317 6.717 -1.059 1.00 0.00 C ATOM 1598 CD GLN A 102 0.993 8.191 -0.916 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.282 8.531 -1.052 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.878 9.016 -0.687 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.479 7.192 -3.122 1.00 0.00 H new ATOM 0 HA GLN A 102 1.385 7.647 -3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.415 5.820 -1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.103 5.123 -2.471 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.040 6.199 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.394 6.597 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.847 8.711 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.643 10.004 -0.595 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.150 6.234 -5.715 1.00 0.00 N ATOM 1610 CA ARG A 103 -0.095 5.456 -6.947 1.00 0.00 C ATOM 1611 C ARG A 103 1.322 5.432 -7.515 1.00 0.00 C ATOM 1612 O ARG A 103 1.718 4.478 -8.183 1.00 0.00 O ATOM 1613 CB ARG A 103 -1.063 6.042 -7.977 1.00 0.00 C ATOM 1614 CG ARG A 103 -1.160 5.230 -9.258 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.343 5.854 -10.377 1.00 0.00 C ATOM 1616 NE ARG A 103 -0.883 7.146 -10.794 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.390 7.864 -11.800 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.652 7.422 -12.493 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -0.941 9.030 -12.114 1.00 0.00 N ATOM 0 H ARG A 103 -0.910 6.914 -5.680 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.388 4.431 -6.719 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.054 6.117 -7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.747 7.056 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.810 4.214 -9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.203 5.157 -9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.688 5.982 -10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.322 5.177 -11.231 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.684 7.519 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 103 1.080 6.527 -12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.025 7.977 -13.263 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.742 9.375 -11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.564 9.581 -12.885 1.00 0.00 H new ATOM 1633 N LYS A 104 2.080 6.488 -7.241 1.00 0.00 N ATOM 1634 CA LYS A 104 3.453 6.590 -7.722 1.00 0.00 C ATOM 1635 C LYS A 104 4.452 6.222 -6.627 1.00 0.00 C ATOM 1636 O LYS A 104 5.597 5.874 -6.914 1.00 0.00 O ATOM 1637 CB LYS A 104 3.732 8.006 -8.227 1.00 0.00 C ATOM 1638 CG LYS A 104 2.930 8.380 -9.463 1.00 0.00 C ATOM 1639 CD LYS A 104 1.953 9.513 -9.180 1.00 0.00 C ATOM 1640 CE LYS A 104 2.431 10.827 -9.779 1.00 0.00 C ATOM 1641 NZ LYS A 104 1.694 11.168 -11.028 1.00 0.00 N ATOM 0 H LYS A 104 1.767 7.286 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 104 3.573 5.884 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.510 8.717 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.795 8.100 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.610 8.677 -10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.382 7.508 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.974 9.261 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.829 9.627 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.300 11.627 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.498 10.762 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.049 12.070 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.839 10.417 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.679 11.255 -10.819 1.00 0.00 H new ATOM 1655 N ASN A 105 4.017 6.306 -5.371 1.00 0.00 N ATOM 1656 CA ASN A 105 4.887 5.984 -4.243 1.00 0.00 C ATOM 1657 C ASN A 105 4.834 4.495 -3.911 1.00 0.00 C ATOM 1658 O ASN A 105 5.829 3.910 -3.485 1.00 0.00 O ATOM 1659 CB ASN A 105 4.487 6.802 -3.013 1.00 0.00 C ATOM 1660 CG ASN A 105 5.179 8.150 -2.967 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.392 8.231 -2.773 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.408 9.216 -3.144 1.00 0.00 N ATOM 0 H ASN A 105 3.073 6.592 -5.110 1.00 0.00 H new ATOM 0 HA ASN A 105 5.908 6.236 -4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.407 6.951 -3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.731 6.240 -2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.817 10.150 -3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.407 9.101 -3.302 1.00 0.00 H new ATOM 1669 N ILE A 106 3.669 3.888 -4.099 1.00 0.00 N ATOM 1670 CA ILE A 106 3.497 2.473 -3.810 1.00 0.00 C ATOM 1671 C ILE A 106 4.335 1.609 -4.747 1.00 0.00 C ATOM 1672 O ILE A 106 5.085 0.745 -4.294 1.00 0.00 O ATOM 1673 CB ILE A 106 2.017 2.051 -3.890 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.852 0.613 -3.396 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.488 2.202 -5.308 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.404 0.383 -2.004 1.00 0.00 C ATOM 0 H ILE A 106 2.832 4.354 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 106 3.843 2.316 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 106 1.433 2.707 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.793 0.354 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.352 -0.061 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.442 1.898 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.573 3.243 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.069 1.573 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.252 -0.658 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.470 0.610 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.888 1.031 -1.296 1.00 0.00 H new ATOM 1688 N CYS A 107 4.229 1.856 -6.052 1.00 0.00 N ATOM 1689 CA CYS A 107 5.012 1.101 -7.028 1.00 0.00 C ATOM 1690 C CYS A 107 6.482 1.145 -6.635 1.00 0.00 C ATOM 1691 O CYS A 107 7.223 0.175 -6.806 1.00 0.00 O ATOM 1692 CB CYS A 107 4.825 1.682 -8.431 1.00 0.00 C ATOM 1693 SG CYS A 107 5.217 3.442 -8.560 1.00 0.00 S ATOM 0 H CYS A 107 3.616 2.565 -6.454 1.00 0.00 H new ATOM 0 HA CYS A 107 4.668 0.067 -7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.454 1.129 -9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.792 1.527 -8.742 1.00 0.00 H new ATOM 0 HG CYS A 107 5.288 3.959 -7.369 1.00 0.00 H new ATOM 1699 N GLN A 108 6.881 2.282 -6.076 1.00 0.00 N ATOM 1700 CA GLN A 108 8.247 2.479 -5.617 1.00 0.00 C ATOM 1701 C GLN A 108 8.530 1.566 -4.435 1.00 0.00 C ATOM 1702 O GLN A 108 9.523 0.842 -4.414 1.00 0.00 O ATOM 1703 CB GLN A 108 8.458 3.935 -5.198 1.00 0.00 C ATOM 1704 CG GLN A 108 8.928 4.837 -6.323 1.00 0.00 C ATOM 1705 CD GLN A 108 10.438 4.982 -6.360 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.146 3.891 -6.087 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.963 6.061 -6.633 1.00 0.00 N flip ATOM 0 H GLN A 108 6.271 3.086 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 108 8.929 2.240 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.523 4.327 -4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.189 3.968 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.581 4.435 -7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.474 5.822 -6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.382 6.874 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.979 6.142 -6.656 1.00 0.00 H new ATOM 1716 N PHE A 109 7.639 1.612 -3.454 1.00 0.00 N ATOM 1717 CA PHE A 109 7.764 0.800 -2.255 1.00 0.00 C ATOM 1718 C PHE A 109 7.820 -0.684 -2.604 1.00 0.00 C ATOM 1719 O PHE A 109 8.591 -1.442 -2.016 1.00 0.00 O ATOM 1720 CB PHE A 109 6.579 1.070 -1.329 1.00 0.00 C ATOM 1721 CG PHE A 109 6.689 0.410 0.012 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.666 0.800 0.911 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.809 -0.595 0.375 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.764 0.199 2.150 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.899 -1.198 1.612 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.878 -0.801 2.501 1.00 0.00 C ATOM 0 H PHE A 109 6.813 2.211 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 109 8.693 1.067 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.481 2.146 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.666 0.729 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.359 1.583 0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.043 -0.910 -0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.532 0.510 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.205 -1.979 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.951 -1.272 3.470 1.00 0.00 H new ATOM 1736 N LEU A 110 6.994 -1.089 -3.562 1.00 0.00 N ATOM 1737 CA LEU A 110 6.942 -2.482 -3.990 1.00 0.00 C ATOM 1738 C LEU A 110 8.299 -2.939 -4.507 1.00 0.00 C ATOM 1739 O LEU A 110 8.672 -4.103 -4.358 1.00 0.00 O ATOM 1740 CB LEU A 110 5.877 -2.663 -5.074 1.00 0.00 C ATOM 1741 CG LEU A 110 4.474 -3.004 -4.562 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.113 -2.147 -3.357 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.448 -2.824 -5.670 1.00 0.00 C ATOM 0 H LEU A 110 6.351 -0.472 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 110 6.678 -3.095 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.819 -1.746 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.201 -3.454 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 110 4.469 -4.048 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.113 -2.408 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.831 -2.324 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.137 -1.094 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.456 -3.070 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.459 -1.789 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.692 -3.484 -6.503 1.00 0.00 H new ATOM 1755 N VAL A 111 9.038 -2.014 -5.101 1.00 0.00 N ATOM 1756 CA VAL A 111 10.364 -2.315 -5.625 1.00 0.00 C ATOM 1757 C VAL A 111 11.435 -1.936 -4.606 1.00 0.00 C ATOM 1758 O VAL A 111 12.545 -2.467 -4.619 1.00 0.00 O ATOM 1759 CB VAL A 111 10.627 -1.565 -6.945 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.993 -1.928 -7.509 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.530 -1.867 -7.955 1.00 0.00 C ATOM 0 H VAL A 111 8.742 -1.047 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 111 10.407 -3.387 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 111 10.620 -0.495 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.157 -1.387 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.767 -1.657 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.035 -3.000 -7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.731 -1.330 -8.882 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.504 -2.938 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.568 -1.550 -7.553 1.00 0.00 H new ATOM 1771 N GLU A 112 11.076 -1.014 -3.721 1.00 0.00 N ATOM 1772 CA GLU A 112 11.971 -0.541 -2.676 1.00 0.00 C ATOM 1773 C GLU A 112 12.233 -1.635 -1.647 1.00 0.00 C ATOM 1774 O GLU A 112 13.368 -1.841 -1.216 1.00 0.00 O ATOM 1775 CB GLU A 112 11.339 0.668 -1.993 1.00 0.00 C ATOM 1776 CG GLU A 112 12.023 1.986 -2.300 1.00 0.00 C ATOM 1777 CD GLU A 112 12.260 2.210 -3.783 1.00 0.00 C ATOM 1778 OE1 GLU A 112 11.915 1.317 -4.586 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.792 3.282 -4.142 1.00 0.00 O ATOM 0 H GLU A 112 10.156 -0.574 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 112 12.924 -0.263 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.294 0.736 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 112 11.350 0.509 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.415 2.802 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.979 2.022 -1.777 1.00 0.00 H new ATOM 1786 N ILE A 113 11.168 -2.325 -1.251 1.00 0.00 N ATOM 1787 CA ILE A 113 11.268 -3.391 -0.263 1.00 0.00 C ATOM 1788 C ILE A 113 11.365 -4.763 -0.927 1.00 0.00 C ATOM 1789 O ILE A 113 11.906 -5.706 -0.350 1.00 0.00 O ATOM 1790 CB ILE A 113 10.054 -3.369 0.691 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.796 -3.877 -0.027 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.840 -1.961 1.228 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.505 -3.605 0.718 1.00 0.00 C ATOM 0 H ILE A 113 10.224 -2.163 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 113 12.180 -3.215 0.308 1.00 0.00 H new ATOM 0 HB ILE A 113 10.253 -4.034 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.740 -3.412 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.891 -4.951 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.982 -1.954 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.729 -1.640 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.656 -1.279 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.665 -3.995 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.537 -4.094 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.383 -2.530 0.855 1.00 0.00 H new ATOM 1805 N GLY A 114 10.828 -4.868 -2.138 1.00 0.00 N ATOM 1806 CA GLY A 114 10.854 -6.130 -2.854 1.00 0.00 C ATOM 1807 C GLY A 114 9.514 -6.835 -2.803 1.00 0.00 C ATOM 1808 O GLY A 114 9.447 -8.064 -2.849 1.00 0.00 O ATOM 0 H GLY A 114 10.375 -4.102 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.132 -5.952 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.621 -6.775 -2.425 1.00 0.00 H new ATOM 1812 N LEU A 115 8.446 -6.052 -2.706 1.00 0.00 N ATOM 1813 CA LEU A 115 7.094 -6.595 -2.644 1.00 0.00 C ATOM 1814 C LEU A 115 6.634 -7.063 -4.021 1.00 0.00 C ATOM 1815 O LEU A 115 6.555 -8.263 -4.284 1.00 0.00 O ATOM 1816 CB LEU A 115 6.131 -5.540 -2.091 1.00 0.00 C ATOM 1817 CG LEU A 115 5.246 -5.999 -0.928 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.059 -6.774 0.101 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.560 -4.807 -0.279 1.00 0.00 C ATOM 0 H LEU A 115 8.491 -5.034 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 115 7.098 -7.457 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.713 -4.678 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.487 -5.200 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 115 4.480 -6.665 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.408 -7.089 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.501 -7.652 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.851 -6.136 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.935 -5.151 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.313 -4.116 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.939 -4.298 -1.017 1.00 0.00 H new ATOM 1831 N ALA A 116 6.340 -6.108 -4.896 1.00 0.00 N ATOM 1832 CA ALA A 116 5.897 -6.425 -6.247 1.00 0.00 C ATOM 1833 C ALA A 116 7.075 -6.411 -7.214 1.00 0.00 C ATOM 1834 O ALA A 116 8.030 -5.655 -7.030 1.00 0.00 O ATOM 1835 CB ALA A 116 4.829 -5.441 -6.700 1.00 0.00 C ATOM 0 H ALA A 116 6.400 -5.110 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 116 5.467 -7.427 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.509 -5.692 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.975 -5.495 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.237 -4.430 -6.689 1.00 0.00 H new ATOM 1841 N LYS A 117 7.005 -7.243 -8.248 1.00 0.00 N ATOM 1842 CA LYS A 117 8.073 -7.309 -9.237 1.00 0.00 C ATOM 1843 C LYS A 117 7.950 -6.163 -10.233 1.00 0.00 C ATOM 1844 O LYS A 117 6.846 -5.717 -10.543 1.00 0.00 O ATOM 1845 CB LYS A 117 8.040 -8.653 -9.969 1.00 0.00 C ATOM 1846 CG LYS A 117 9.106 -9.628 -9.497 1.00 0.00 C ATOM 1847 CD LYS A 117 10.379 -9.506 -10.321 1.00 0.00 C ATOM 1848 CE LYS A 117 11.436 -8.686 -9.599 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.715 -8.634 -10.359 1.00 0.00 N ATOM 0 H LYS A 117 6.225 -7.877 -8.422 1.00 0.00 H new ATOM 0 HA LYS A 117 9.028 -7.217 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.058 -9.107 -9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.166 -8.479 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.332 -9.441 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.724 -10.647 -9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.772 -10.500 -10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.149 -9.041 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.065 -7.673 -9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.617 -9.115 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.409 -8.066 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.083 -9.598 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.548 -8.202 -11.290 1.00 0.00 H new ATOM 1863 N ASP A 118 9.088 -5.684 -10.730 1.00 0.00 N ATOM 1864 CA ASP A 118 9.092 -4.585 -11.690 1.00 0.00 C ATOM 1865 C ASP A 118 8.145 -4.878 -12.848 1.00 0.00 C ATOM 1866 O ASP A 118 7.541 -3.969 -13.418 1.00 0.00 O ATOM 1867 CB ASP A 118 10.504 -4.334 -12.220 1.00 0.00 C ATOM 1868 CG ASP A 118 11.548 -4.331 -11.120 1.00 0.00 C ATOM 1869 OD1 ASP A 118 12.088 -5.414 -10.812 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.825 -3.247 -10.565 1.00 0.00 O ATOM 0 H ASP A 118 10.013 -6.037 -10.485 1.00 0.00 H new ATOM 0 HA ASP A 118 8.748 -3.688 -11.175 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.755 -5.102 -12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.528 -3.377 -12.741 1.00 0.00 H new ATOM 1875 N ASP A 119 8.011 -6.158 -13.180 1.00 0.00 N ATOM 1876 CA ASP A 119 7.126 -6.579 -14.257 1.00 0.00 C ATOM 1877 C ASP A 119 5.681 -6.585 -13.775 1.00 0.00 C ATOM 1878 O ASP A 119 4.750 -6.394 -14.559 1.00 0.00 O ATOM 1879 CB ASP A 119 7.518 -7.970 -14.756 1.00 0.00 C ATOM 1880 CG ASP A 119 8.575 -7.921 -15.843 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.229 -6.868 -15.986 1.00 0.00 O ATOM 1882 OD2 ASP A 119 8.745 -8.935 -16.551 1.00 0.00 O ATOM 0 H ASP A 119 8.505 -6.921 -12.718 1.00 0.00 H new ATOM 0 HA ASP A 119 7.221 -5.873 -15.082 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.889 -8.561 -13.919 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.633 -8.478 -15.137 1.00 0.00 H new ATOM 1887 N GLN A 120 5.505 -6.799 -12.475 1.00 0.00 N ATOM 1888 CA GLN A 120 4.180 -6.824 -11.872 1.00 0.00 C ATOM 1889 C GLN A 120 3.668 -5.410 -11.614 1.00 0.00 C ATOM 1890 O GLN A 120 2.495 -5.217 -11.299 1.00 0.00 O ATOM 1891 CB GLN A 120 4.209 -7.602 -10.558 1.00 0.00 C ATOM 1892 CG GLN A 120 4.476 -9.088 -10.725 1.00 0.00 C ATOM 1893 CD GLN A 120 4.226 -9.861 -9.446 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.037 -9.689 -8.878 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.087 -10.603 -8.974 1.00 0.00 N flip ATOM 0 H GLN A 120 6.268 -6.958 -11.817 1.00 0.00 H new ATOM 0 HA GLN A 120 3.505 -7.318 -12.571 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.977 -7.176 -9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.255 -7.470 -10.048 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.840 -9.483 -11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.508 -9.237 -11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.986 -10.705 -9.444 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.901 -11.116 -8.112 1.00 0.00 H new ATOM 1904 N LEU A 121 4.556 -4.427 -11.739 1.00 0.00 N ATOM 1905 CA LEU A 121 4.197 -3.031 -11.511 1.00 0.00 C ATOM 1906 C LEU A 121 2.975 -2.634 -12.330 1.00 0.00 C ATOM 1907 O LEU A 121 3.099 -2.124 -13.444 1.00 0.00 O ATOM 1908 CB LEU A 121 5.373 -2.116 -11.855 1.00 0.00 C ATOM 1909 CG LEU A 121 6.519 -2.130 -10.844 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.745 -1.430 -11.418 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.089 -1.473 -9.540 1.00 0.00 C ATOM 0 H LEU A 121 5.532 -4.573 -11.998 1.00 0.00 H new ATOM 0 HA LEU A 121 3.952 -2.919 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.765 -2.404 -12.830 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.004 -1.095 -11.949 1.00 0.00 H new ATOM 0 HG LEU A 121 6.782 -3.167 -10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.551 -1.449 -10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.066 -1.943 -12.324 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.495 -0.396 -11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.918 -1.492 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.799 -0.440 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.242 -2.016 -9.121 1.00 0.00 H new ATOM 1923 N LYS A 122 1.797 -2.869 -11.767 1.00 0.00 N ATOM 1924 CA LYS A 122 0.549 -2.534 -12.435 1.00 0.00 C ATOM 1925 C LYS A 122 -0.109 -1.337 -11.757 1.00 0.00 C ATOM 1926 O LYS A 122 -0.915 -1.495 -10.840 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.395 -3.735 -12.430 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.354 -4.536 -13.720 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.878 -3.730 -14.897 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.154 -4.089 -16.184 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.754 -3.413 -17.368 1.00 0.00 N ATOM 0 H LYS A 122 1.681 -3.292 -10.846 1.00 0.00 H new ATOM 0 HA LYS A 122 0.767 -2.270 -13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.137 -4.388 -11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.414 -3.387 -12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.670 -4.851 -13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.949 -5.442 -13.605 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.946 -3.911 -15.017 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.756 -2.666 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.896 -3.809 -16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.185 -5.169 -16.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.231 -3.685 -18.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.749 -3.700 -17.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.701 -2.382 -17.243 1.00 0.00 H new ATOM 1945 N VAL A 123 0.250 -0.141 -12.208 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.287 1.086 -11.644 1.00 0.00 C ATOM 1947 C VAL A 123 -1.427 1.638 -12.493 1.00 0.00 C ATOM 1948 O VAL A 123 -1.278 1.824 -13.701 1.00 0.00 O ATOM 1949 CB VAL A 123 0.800 2.162 -11.503 1.00 0.00 C ATOM 1950 CG1 VAL A 123 0.838 2.706 -10.084 1.00 0.00 C ATOM 1951 CG2 VAL A 123 2.173 1.639 -11.912 1.00 0.00 C ATOM 0 H VAL A 123 0.915 0.003 -12.968 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.669 0.833 -10.655 1.00 0.00 H new ATOM 0 HB VAL A 123 0.542 2.974 -12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.615 3.467 -10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.128 3.147 -9.838 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.054 1.895 -9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.913 2.431 -11.797 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.444 0.795 -11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 123 2.144 1.317 -12.953 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.566 1.900 -11.857 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.725 2.432 -12.563 1.00 0.00 C ATOM 1963 C HIS A 124 -4.365 3.580 -11.789 1.00 0.00 C ATOM 1964 O HIS A 124 -5.478 3.453 -11.278 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.751 1.325 -12.802 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.153 0.071 -13.354 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.371 -0.363 -14.643 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.331 -0.842 -12.785 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.713 -1.490 -14.844 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.072 -1.802 -13.732 1.00 0.00 N ATOM 0 H HIS A 124 -2.710 1.753 -10.858 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.385 2.819 -13.523 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.253 1.096 -11.862 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.514 1.689 -13.491 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.951 0.112 -15.335 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.950 -0.819 -11.775 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.701 -2.060 -15.761 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.659 4.703 -11.711 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.180 5.858 -11.003 1.00 0.00 C ATOM 1981 C GLY A 125 -5.521 6.307 -11.550 1.00 0.00 C ATOM 1982 O GLY A 125 -5.634 6.653 -12.726 1.00 0.00 O ATOM 0 H GLY A 125 -2.736 4.834 -12.125 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.283 5.618 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.467 6.679 -11.075 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.540 6.298 -10.696 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.884 6.702 -11.101 1.00 0.00 C ATOM 1988 C PHE A 126 -7.858 8.025 -11.870 1.00 0.00 C ATOM 1989 O PHE A 126 -8.879 8.359 -12.506 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.797 6.809 -9.872 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.874 8.190 -9.278 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.724 8.853 -8.877 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -10.095 8.824 -9.127 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.794 10.123 -8.338 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -10.172 10.093 -8.588 1.00 0.00 C ATOM 1996 CZ PHE A 126 -9.019 10.744 -8.193 1.00 0.00 C ATOM 1997 OXT PHE A 126 -6.815 8.712 -11.827 1.00 0.00 O ATOM 0 H PHE A 126 -6.462 6.016 -9.719 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.281 5.938 -11.769 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.801 6.489 -10.151 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.442 6.117 -9.109 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.764 8.371 -8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.999 8.320 -9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.891 10.630 -8.030 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -11.132 10.576 -8.475 1.00 0.00 H new ATOM 0 HZ PHE A 126 -9.076 11.737 -7.772 1.00 0.00 H new