USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 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 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 115 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 GLN :FLIP amide:sc= -3.96! C(o=-6.4!,f=-3.8!) USER MOD Set 2.2: A 101 SER OG : rot -113:sc= 0.184 USER MOD Set 3.1: A 94 THR OG1 : rot 180:sc= -1.77! USER MOD Set 3.2: A 97 GLN : amide:sc= -0.427 X(o=-2.2,f=-2.5) USER MOD Set 4.1: A 69 ASN :FLIP amide:sc= -6.49! C(o=-18!,f=-16!) USER MOD Set 4.2: A 73 HIS :FLIP no HE2:sc= -9.58! C(o=-18!,f=-16!) USER MOD Single : A 1 MET CE :methyl 166:sc=-0.00295 (180deg=-0.262) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.000743 (180deg=-0.149) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= -0.0255 (180deg=-0.257) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.1!) USER MOD Single : A 16 GLN : amide:sc= -2.1! X(o=-2.1!,f=-1.6) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.851 F(o=-2.3!,f=-0.85) USER MOD Single : A 24 SER OG : rot -165:sc= 0.0664 USER MOD Single : A 27 ASN :FLIP amide:sc= -4.88! C(o=-7.8!,f=-4.9!) USER MOD Single : A 34 THR OG1 : rot -49:sc= 0.372 USER MOD Single : A 35 CYS SG : rot 180:sc= -1.52 USER MOD Single : A 36 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.037) USER MOD Single : A 37 ASN : amide:sc= -0.421 K(o=-0.42,f=-1.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -4.65! C(o=-6.3!,f=-4.7!) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00867 USER MOD Single : A 50 SER OG : rot 180:sc= 0.265 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0258) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.605 K(o=-0.61,f=-1.3) USER MOD Single : A 60 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 144:sc= 1.32 (180deg=0.377) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -14.8! C(o=-16!,f=-15!) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.176) USER MOD Single : A 88 GLN : amide:sc= -0.0384 K(o=-0.038,f=-0.76) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -163:sc= -8.3! (180deg=-9.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00223 USER MOD Single : A 99 GLN : amide:sc= 0.661 K(o=0.66,f=-0.63) USER MOD Single : A 100 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.5!) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -14! C(o=-16!,f=-14!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -3.39! C(o=-3.4!,f=-3.6!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.133 -19.256 -11.816 1.00 0.00 N ATOM 2 CA MET A 1 -11.726 -19.593 -11.686 1.00 0.00 C ATOM 3 C MET A 1 -10.855 -18.335 -11.715 1.00 0.00 C ATOM 4 O MET A 1 -9.906 -18.216 -10.943 1.00 0.00 O ATOM 5 CB MET A 1 -11.316 -20.525 -12.829 1.00 0.00 C ATOM 6 CG MET A 1 -11.313 -21.985 -12.372 1.00 0.00 C ATOM 7 SD MET A 1 -11.127 -23.065 -13.781 1.00 0.00 S ATOM 8 CE MET A 1 -9.419 -22.749 -14.191 1.00 0.00 C ATOM 0 H1 MET A 1 -13.712 -20.090 -11.592 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.367 -18.485 -11.159 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.328 -18.951 -12.791 1.00 0.00 H new ATOM 0 HA MET A 1 -11.579 -20.092 -10.728 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.003 -20.404 -13.666 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.324 -20.251 -13.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.500 -22.152 -11.666 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.242 -22.213 -11.849 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.063 -23.513 -14.882 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.332 -21.768 -14.658 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.816 -22.773 -13.283 1.00 0.00 H new ATOM 9 N LEU A 2 -11.212 -17.429 -12.614 1.00 0.00 N ATOM 10 CA LEU A 2 -10.474 -16.185 -12.754 1.00 0.00 C ATOM 11 C LEU A 2 -10.158 -15.625 -11.366 1.00 0.00 C ATOM 12 O LEU A 2 -10.726 -16.069 -10.369 1.00 0.00 O ATOM 13 CB LEU A 2 -11.238 -15.209 -13.651 1.00 0.00 C ATOM 14 CG LEU A 2 -11.250 -15.539 -15.145 1.00 0.00 C ATOM 15 CD1 LEU A 2 -12.318 -14.726 -15.878 1.00 0.00 C ATOM 16 CD2 LEU A 2 -9.861 -15.349 -15.759 1.00 0.00 C ATOM 0 H LEU A 2 -12.001 -17.531 -13.252 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.520 -16.361 -13.251 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.269 -15.158 -13.302 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.808 -14.216 -13.522 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.512 -16.591 -15.261 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.305 -14.980 -16.938 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.299 -14.955 -15.462 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.112 -13.662 -15.757 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.897 -15.590 -16.821 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.546 -14.313 -15.632 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.150 -16.008 -15.261 1.00 0.00 H new ATOM 17 N LEU A 3 -9.251 -14.659 -11.344 1.00 0.00 N ATOM 18 CA LEU A 3 -8.853 -14.035 -10.095 1.00 0.00 C ATOM 19 C LEU A 3 -10.102 -13.672 -9.290 1.00 0.00 C ATOM 20 O LEU A 3 -11.219 -13.748 -9.800 1.00 0.00 O ATOM 21 CB LEU A 3 -7.927 -12.846 -10.360 1.00 0.00 C ATOM 22 CG LEU A 3 -8.366 -11.506 -9.766 1.00 0.00 C ATOM 23 CD1 LEU A 3 -7.170 -10.738 -9.202 1.00 0.00 C ATOM 24 CD2 LEU A 3 -9.147 -10.681 -10.792 1.00 0.00 C ATOM 0 H LEU A 3 -8.781 -14.294 -12.172 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.274 -14.732 -9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.938 -13.087 -9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.823 -12.726 -11.438 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.041 -11.706 -8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.510 -9.790 -8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.695 -11.328 -8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.451 -10.548 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.447 -9.734 -10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.516 -10.489 -11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.034 -11.233 -11.103 1.00 0.00 H new ATOM 25 N GLU A 4 -9.873 -13.285 -8.043 1.00 0.00 N ATOM 26 CA GLU A 4 -10.966 -12.910 -7.162 1.00 0.00 C ATOM 27 C GLU A 4 -10.776 -11.477 -6.660 1.00 0.00 C ATOM 28 O GLU A 4 -10.039 -10.697 -7.261 1.00 0.00 O ATOM 29 CB GLU A 4 -11.089 -13.889 -5.993 1.00 0.00 C ATOM 30 CG GLU A 4 -12.469 -14.548 -5.971 1.00 0.00 C ATOM 31 CD GLU A 4 -12.628 -15.449 -4.744 1.00 0.00 C ATOM 32 OE1 GLU A 4 -12.570 -14.898 -3.625 1.00 0.00 O ATOM 33 OE2 GLU A 4 -12.803 -16.669 -4.955 1.00 0.00 O ATOM 0 H GLU A 4 -8.946 -13.223 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.896 -12.955 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.318 -14.655 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.919 -13.362 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.242 -13.780 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.610 -15.135 -6.878 1.00 0.00 H new ATOM 34 N LYS A 5 -11.454 -11.175 -5.563 1.00 0.00 N ATOM 35 CA LYS A 5 -11.369 -9.849 -4.973 1.00 0.00 C ATOM 36 C LYS A 5 -9.977 -9.652 -4.370 1.00 0.00 C ATOM 37 O LYS A 5 -9.678 -8.592 -3.823 1.00 0.00 O ATOM 38 CB LYS A 5 -12.508 -9.632 -3.975 1.00 0.00 C ATOM 39 CG LYS A 5 -12.398 -10.604 -2.798 1.00 0.00 C ATOM 40 CD LYS A 5 -13.539 -10.391 -1.802 1.00 0.00 C ATOM 41 CE LYS A 5 -13.012 -9.858 -0.468 1.00 0.00 C ATOM 42 NZ LYS A 5 -14.070 -9.908 0.566 1.00 0.00 N ATOM 0 H LYS A 5 -12.064 -11.825 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.497 -9.083 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.484 -8.606 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.466 -9.769 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.419 -11.630 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.441 -10.465 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.262 -9.689 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.065 -11.332 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.154 -10.449 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.664 -8.832 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.695 -9.543 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.877 -9.325 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.382 -10.891 0.696 1.00 0.00 H new ATOM 43 N ALA A 6 -9.163 -10.691 -4.489 1.00 0.00 N ATOM 44 CA ALA A 6 -7.810 -10.645 -3.963 1.00 0.00 C ATOM 45 C ALA A 6 -7.200 -9.272 -4.252 1.00 0.00 C ATOM 46 O ALA A 6 -6.358 -8.791 -3.496 1.00 0.00 O ATOM 47 CB ALA A 6 -6.988 -11.786 -4.567 1.00 0.00 C ATOM 0 H ALA A 6 -9.415 -11.569 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.815 -10.782 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.973 -11.751 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.446 -12.741 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.960 -11.679 -5.651 1.00 0.00 H new ATOM 48 N TYR A 7 -7.650 -8.679 -5.347 1.00 0.00 N ATOM 49 CA TYR A 7 -7.160 -7.370 -5.745 1.00 0.00 C ATOM 50 C TYR A 7 -7.784 -6.267 -4.888 1.00 0.00 C ATOM 51 O TYR A 7 -7.685 -5.086 -5.220 1.00 0.00 O ATOM 52 CB TYR A 7 -7.600 -7.179 -7.199 1.00 0.00 C ATOM 53 CG TYR A 7 -9.067 -7.526 -7.455 1.00 0.00 C ATOM 54 CD1 TYR A 7 -10.062 -6.874 -6.757 1.00 0.00 C ATOM 55 CD2 TYR A 7 -9.396 -8.490 -8.387 1.00 0.00 C ATOM 56 CE1 TYR A 7 -11.445 -7.201 -6.998 1.00 0.00 C ATOM 57 CE2 TYR A 7 -10.777 -8.816 -8.629 1.00 0.00 C ATOM 58 CZ TYR A 7 -11.734 -8.156 -7.922 1.00 0.00 C ATOM 0 H TYR A 7 -8.349 -9.081 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.078 -7.312 -5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.427 -6.142 -7.487 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.973 -7.797 -7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.805 -6.118 -6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.617 -9.000 -8.935 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -12.234 -6.699 -6.457 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -11.048 -9.568 -9.356 1.00 0.00 H new ATOM 59 N ARG A 8 -8.411 -6.691 -3.801 1.00 0.00 N ATOM 60 CA ARG A 8 -9.050 -5.753 -2.892 1.00 0.00 C ATOM 61 C ARG A 8 -8.799 -6.165 -1.441 1.00 0.00 C ATOM 62 O ARG A 8 -9.613 -6.865 -0.841 1.00 0.00 O ATOM 63 CB ARG A 8 -10.558 -5.685 -3.142 1.00 0.00 C ATOM 64 CG ARG A 8 -11.055 -4.238 -3.114 1.00 0.00 C ATOM 65 CD ARG A 8 -12.435 -4.144 -2.461 1.00 0.00 C ATOM 66 NE ARG A 8 -13.439 -3.716 -3.461 1.00 0.00 N ATOM 67 CZ ARG A 8 -14.083 -4.554 -4.285 1.00 0.00 C ATOM 0 H ARG A 8 -8.491 -7.671 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.618 -4.769 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.791 -6.134 -4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.082 -6.268 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.346 -3.617 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.102 -3.846 -4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.715 -5.111 -2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.408 -3.435 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.654 -2.721 -3.527 1.00 0.00 H new ATOM 68 N ILE A 9 -7.668 -5.713 -0.918 1.00 0.00 N ATOM 69 CA ILE A 9 -7.299 -6.027 0.452 1.00 0.00 C ATOM 70 C ILE A 9 -8.231 -5.280 1.409 1.00 0.00 C ATOM 71 O ILE A 9 -8.105 -4.070 1.587 1.00 0.00 O ATOM 72 CB ILE A 9 -5.816 -5.737 0.687 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.937 -6.773 -0.016 1.00 0.00 C ATOM 74 CG2 ILE A 9 -5.506 -5.642 2.182 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.453 -6.434 0.145 1.00 0.00 C ATOM 0 H ILE A 9 -6.995 -5.132 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.426 -7.092 0.647 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.584 -4.767 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.134 -7.762 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.192 -6.813 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.445 -5.435 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.094 -4.838 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.758 -6.585 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.851 -7.186 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.254 -5.455 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.196 -6.419 1.204 1.00 0.00 H new ATOM 76 N LYS A 10 -9.145 -6.034 2.002 1.00 0.00 N ATOM 77 CA LYS A 10 -10.097 -5.460 2.937 1.00 0.00 C ATOM 78 C LYS A 10 -9.682 -5.816 4.366 1.00 0.00 C ATOM 79 O LYS A 10 -10.397 -5.510 5.319 1.00 0.00 O ATOM 80 CB LYS A 10 -11.522 -5.894 2.585 1.00 0.00 C ATOM 81 CG LYS A 10 -12.535 -4.815 2.974 1.00 0.00 C ATOM 82 CD LYS A 10 -13.895 -5.080 2.324 1.00 0.00 C ATOM 83 CE LYS A 10 -15.035 -4.794 3.303 1.00 0.00 C ATOM 84 NZ LYS A 10 -15.049 -5.798 4.390 1.00 0.00 N ATOM 0 H LYS A 10 -9.246 -7.038 1.853 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.092 -4.372 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.591 -6.095 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.760 -6.825 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.645 -4.788 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.166 -3.837 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.006 -4.455 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.948 -6.117 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.919 -3.795 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.988 -4.808 2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.009 -5.870 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.759 -6.723 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.389 -5.508 5.139 1.00 0.00 H new ATOM 85 N LYS A 11 -8.527 -6.457 4.469 1.00 0.00 N ATOM 86 CA LYS A 11 -8.007 -6.858 5.765 1.00 0.00 C ATOM 87 C LYS A 11 -6.679 -6.140 6.021 1.00 0.00 C ATOM 88 O LYS A 11 -6.315 -5.221 5.290 1.00 0.00 O ATOM 89 CB LYS A 11 -7.910 -8.381 5.856 1.00 0.00 C ATOM 90 CG LYS A 11 -9.300 -9.021 5.827 1.00 0.00 C ATOM 91 CD LYS A 11 -9.347 -10.182 4.832 1.00 0.00 C ATOM 92 CE LYS A 11 -10.627 -10.134 3.993 1.00 0.00 C ATOM 93 NZ LYS A 11 -11.710 -10.893 4.656 1.00 0.00 N ATOM 0 H LYS A 11 -7.937 -6.709 3.676 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.691 -6.558 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.313 -8.761 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.395 -8.662 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.560 -9.380 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.044 -8.272 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.477 -10.140 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.296 -11.129 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.936 -9.099 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.436 -10.550 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.571 -10.850 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.419 -11.885 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.903 -10.478 5.590 1.00 0.00 H new ATOM 94 N ASN A 12 -5.992 -6.590 7.061 1.00 0.00 N ATOM 95 CA ASN A 12 -4.712 -6.003 7.422 1.00 0.00 C ATOM 96 C ASN A 12 -3.598 -7.017 7.156 1.00 0.00 C ATOM 97 O ASN A 12 -2.553 -6.668 6.611 1.00 0.00 O ATOM 98 CB ASN A 12 -4.674 -5.637 8.907 1.00 0.00 C ATOM 99 CG ASN A 12 -5.197 -4.218 9.136 1.00 0.00 C ATOM 100 OD1 ASN A 12 -5.212 -3.383 8.245 1.00 0.00 O ATOM 101 ND2 ASN A 12 -5.625 -3.991 10.374 1.00 0.00 N ATOM 0 H ASN A 12 -6.297 -7.353 7.665 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.573 -5.102 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.276 -6.346 9.475 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.652 -5.716 9.279 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.994 -3.074 10.626 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.585 -4.734 11.072 1.00 0.00 H new ATOM 102 N ALA A 13 -3.859 -8.254 7.555 1.00 0.00 N ATOM 103 CA ALA A 13 -2.892 -9.321 7.367 1.00 0.00 C ATOM 104 C ALA A 13 -2.375 -9.288 5.926 1.00 0.00 C ATOM 105 O ALA A 13 -1.179 -9.437 5.688 1.00 0.00 O ATOM 106 CB ALA A 13 -3.534 -10.662 7.724 1.00 0.00 C ATOM 0 H ALA A 13 -4.727 -8.540 8.008 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.036 -9.183 8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.808 -11.462 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.857 -10.645 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.396 -10.836 7.079 1.00 0.00 H new ATOM 107 N ASP A 14 -3.306 -9.091 5.003 1.00 0.00 N ATOM 108 CA ASP A 14 -2.960 -9.036 3.592 1.00 0.00 C ATOM 109 C ASP A 14 -1.929 -7.928 3.368 1.00 0.00 C ATOM 110 O ASP A 14 -1.095 -8.025 2.469 1.00 0.00 O ATOM 111 CB ASP A 14 -4.187 -8.720 2.737 1.00 0.00 C ATOM 112 CG ASP A 14 -4.967 -9.943 2.247 1.00 0.00 C ATOM 113 OD1 ASP A 14 -4.550 -11.064 2.611 1.00 0.00 O ATOM 114 OD2 ASP A 14 -5.962 -9.729 1.521 1.00 0.00 O ATOM 0 H ASP A 14 -4.298 -8.968 5.204 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.561 -10.008 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.860 -8.086 3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.868 -8.140 1.871 1.00 0.00 H new ATOM 115 N PHE A 15 -2.020 -6.900 4.198 1.00 0.00 N ATOM 116 CA PHE A 15 -1.106 -5.776 4.101 1.00 0.00 C ATOM 117 C PHE A 15 0.173 -6.038 4.900 1.00 0.00 C ATOM 118 O PHE A 15 1.270 -5.717 4.446 1.00 0.00 O ATOM 119 CB PHE A 15 -1.824 -4.562 4.696 1.00 0.00 C ATOM 120 CG PHE A 15 -2.157 -3.474 3.673 1.00 0.00 C ATOM 121 CD1 PHE A 15 -2.889 -3.779 2.569 1.00 0.00 C ATOM 122 CD2 PHE A 15 -1.720 -2.201 3.870 1.00 0.00 C ATOM 123 CE1 PHE A 15 -3.197 -2.769 1.620 1.00 0.00 C ATOM 124 CE2 PHE A 15 -2.029 -1.191 2.921 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.761 -1.495 1.816 1.00 0.00 C ATOM 0 H PHE A 15 -2.714 -6.822 4.942 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.826 -5.614 3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.747 -4.895 5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.200 -4.131 5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.236 -4.790 2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.139 -1.959 4.747 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.778 -3.012 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.682 -0.180 3.077 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.996 -0.726 1.095 1.00 0.00 H new ATOM 126 N GLN A 16 -0.011 -6.618 6.077 1.00 0.00 N ATOM 127 CA GLN A 16 1.114 -6.927 6.943 1.00 0.00 C ATOM 128 C GLN A 16 2.045 -7.934 6.265 1.00 0.00 C ATOM 129 O GLN A 16 3.266 -7.825 6.370 1.00 0.00 O ATOM 130 CB GLN A 16 0.635 -7.449 8.299 1.00 0.00 C ATOM 131 CG GLN A 16 0.625 -8.979 8.325 1.00 0.00 C ATOM 132 CD GLN A 16 -0.072 -9.501 9.583 1.00 0.00 C ATOM 133 OE1 GLN A 16 0.063 -8.963 10.668 1.00 0.00 O ATOM 134 NE2 GLN A 16 -0.824 -10.579 9.375 1.00 0.00 N ATOM 0 H GLN A 16 -0.922 -6.882 6.451 1.00 0.00 H new ATOM 0 HA GLN A 16 1.673 -6.008 7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.286 -7.073 9.088 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.367 -7.072 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.116 -9.358 7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.648 -9.354 8.290 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.893 -10.980 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.331 -11.005 10.151 1.00 0.00 H new ATOM 135 N ARG A 17 1.432 -8.893 5.585 1.00 0.00 N ATOM 136 CA ARG A 17 2.191 -9.920 4.890 1.00 0.00 C ATOM 137 C ARG A 17 3.122 -9.282 3.857 1.00 0.00 C ATOM 138 O ARG A 17 4.155 -9.854 3.511 1.00 0.00 O ATOM 139 CB ARG A 17 1.262 -10.910 4.187 1.00 0.00 C ATOM 140 CG ARG A 17 0.487 -10.228 3.058 1.00 0.00 C ATOM 141 CD ARG A 17 0.762 -10.908 1.716 1.00 0.00 C ATOM 142 NE ARG A 17 -0.445 -11.631 1.257 1.00 0.00 N ATOM 143 CZ ARG A 17 -0.758 -12.882 1.625 1.00 0.00 C ATOM 0 H ARG A 17 0.419 -8.980 5.501 1.00 0.00 H new ATOM 0 HA ARG A 17 2.780 -10.458 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.845 -11.738 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.563 -11.334 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.581 -10.260 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.769 -9.177 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.054 -10.164 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.596 -11.603 1.815 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.079 -11.147 0.621 1.00 0.00 H new ATOM 144 N ILE A 18 2.724 -8.107 3.393 1.00 0.00 N ATOM 145 CA ILE A 18 3.510 -7.386 2.406 1.00 0.00 C ATOM 146 C ILE A 18 4.707 -6.729 3.096 1.00 0.00 C ATOM 147 O ILE A 18 5.855 -7.005 2.750 1.00 0.00 O ATOM 148 CB ILE A 18 2.628 -6.402 1.634 1.00 0.00 C ATOM 149 CG1 ILE A 18 1.197 -6.929 1.510 1.00 0.00 C ATOM 150 CG2 ILE A 18 3.238 -6.074 0.270 1.00 0.00 C ATOM 151 CD1 ILE A 18 0.457 -6.241 0.362 1.00 0.00 C ATOM 0 H ILE A 18 1.867 -7.636 3.682 1.00 0.00 H new ATOM 0 HA ILE A 18 3.909 -8.073 1.660 1.00 0.00 H new ATOM 0 HB ILE A 18 2.580 -5.471 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.216 -8.006 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.662 -6.761 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.592 -5.373 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.222 -5.626 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.335 -6.989 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.558 -6.634 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.419 -5.167 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.981 -6.431 -0.575 1.00 0.00 H new ATOM 152 N TYR A 19 4.399 -5.872 4.057 1.00 0.00 N ATOM 153 CA TYR A 19 5.436 -5.173 4.798 1.00 0.00 C ATOM 154 C TYR A 19 6.357 -6.162 5.517 1.00 0.00 C ATOM 155 O TYR A 19 7.435 -5.789 5.975 1.00 0.00 O ATOM 156 CB TYR A 19 4.708 -4.322 5.841 1.00 0.00 C ATOM 157 CG TYR A 19 4.284 -2.943 5.332 1.00 0.00 C ATOM 158 CD1 TYR A 19 3.294 -2.835 4.376 1.00 0.00 C ATOM 159 CD2 TYR A 19 4.890 -1.807 5.828 1.00 0.00 C ATOM 160 CE1 TYR A 19 2.894 -1.537 3.897 1.00 0.00 C ATOM 161 CE2 TYR A 19 4.491 -0.509 5.349 1.00 0.00 C ATOM 162 CZ TYR A 19 3.513 -0.438 4.407 1.00 0.00 C ATOM 0 H TYR A 19 3.446 -5.645 4.340 1.00 0.00 H new ATOM 0 HA TYR A 19 6.051 -4.575 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.823 -4.860 6.181 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.356 -4.195 6.708 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.819 -3.724 3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.664 -1.891 6.576 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.120 -1.438 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.958 0.388 5.729 1.00 0.00 H new ATOM 163 N LYS A 20 5.897 -7.402 5.592 1.00 0.00 N ATOM 164 CA LYS A 20 6.667 -8.447 6.247 1.00 0.00 C ATOM 165 C LYS A 20 8.050 -8.537 5.598 1.00 0.00 C ATOM 166 O LYS A 20 9.020 -7.989 6.117 1.00 0.00 O ATOM 167 CB LYS A 20 5.894 -9.767 6.237 1.00 0.00 C ATOM 168 CG LYS A 20 6.756 -10.909 6.779 1.00 0.00 C ATOM 169 CD LYS A 20 6.592 -11.049 8.294 1.00 0.00 C ATOM 170 CE LYS A 20 6.513 -12.521 8.703 1.00 0.00 C ATOM 171 NZ LYS A 20 7.734 -12.921 9.438 1.00 0.00 N ATOM 0 H LYS A 20 5.002 -7.707 5.211 1.00 0.00 H new ATOM 0 HA LYS A 20 6.824 -8.205 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.992 -9.669 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.574 -9.998 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.477 -11.843 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.803 -10.725 6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.431 -10.572 8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.689 -10.530 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.635 -12.684 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.394 -13.145 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.664 -13.923 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.566 -12.784 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.831 -12.338 10.294 1.00 0.00 H new ATOM 172 N LYS A 21 8.096 -9.236 4.473 1.00 0.00 N ATOM 173 CA LYS A 21 9.343 -9.407 3.749 1.00 0.00 C ATOM 174 C LYS A 21 9.169 -8.897 2.316 1.00 0.00 C ATOM 175 O LYS A 21 10.082 -9.011 1.498 1.00 0.00 O ATOM 176 CB LYS A 21 9.816 -10.859 3.831 1.00 0.00 C ATOM 177 CG LYS A 21 11.239 -10.941 4.390 1.00 0.00 C ATOM 178 CD LYS A 21 11.856 -12.314 4.119 1.00 0.00 C ATOM 179 CE LYS A 21 13.062 -12.563 5.027 1.00 0.00 C ATOM 180 NZ LYS A 21 13.390 -14.004 5.070 1.00 0.00 N ATOM 0 H LYS A 21 7.289 -9.690 4.046 1.00 0.00 H new ATOM 0 HA LYS A 21 10.134 -8.813 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.139 -11.431 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.784 -11.312 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.857 -10.165 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.224 -10.751 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.108 -13.091 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.163 -12.379 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.921 -11.999 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.847 -12.203 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.211 -14.155 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.575 -14.535 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.615 -14.338 4.111 1.00 0.00 H new ATOM 181 N GLY A 22 7.992 -8.348 2.056 1.00 0.00 N ATOM 182 CA GLY A 22 7.688 -7.821 0.736 1.00 0.00 C ATOM 183 C GLY A 22 8.879 -7.048 0.167 1.00 0.00 C ATOM 184 O GLY A 22 9.805 -6.700 0.897 1.00 0.00 O ATOM 0 H GLY A 22 7.238 -8.256 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.427 -8.639 0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.819 -7.166 0.793 1.00 0.00 H new ATOM 185 N HIS A 23 8.816 -6.803 -1.135 1.00 0.00 N ATOM 186 CA HIS A 23 9.878 -6.078 -1.811 1.00 0.00 C ATOM 187 C HIS A 23 9.324 -4.773 -2.384 1.00 0.00 C ATOM 188 O HIS A 23 8.705 -4.769 -3.446 1.00 0.00 O ATOM 189 CB HIS A 23 10.545 -6.956 -2.873 1.00 0.00 C ATOM 190 CG HIS A 23 11.581 -6.237 -3.701 1.00 0.00 C ATOM 191 ND1 HIS A 23 11.530 -5.037 -4.349 1.00 0.00 N flip ATOM 192 CD2 HIS A 23 12.843 -6.754 -3.936 1.00 0.00 C flip ATOM 193 CE1 HIS A 23 12.698 -4.832 -4.945 1.00 0.00 C flip ATOM 194 NE2 HIS A 23 13.513 -5.896 -4.691 1.00 0.00 N flip ATOM 0 H HIS A 23 8.047 -7.094 -1.738 1.00 0.00 H new ATOM 0 HA HIS A 23 10.658 -5.818 -1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.015 -7.808 -2.382 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.777 -7.353 -3.536 1.00 0.00 H new ATOM 0 HD2 HIS A 23 13.218 -7.697 -3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.960 -3.966 -5.534 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.470 -6.011 -5.024 1.00 0.00 H new ATOM 195 N SER A 24 9.566 -3.693 -1.653 1.00 0.00 N ATOM 196 CA SER A 24 9.099 -2.384 -2.075 1.00 0.00 C ATOM 197 C SER A 24 10.147 -1.718 -2.969 1.00 0.00 C ATOM 198 O SER A 24 11.333 -2.028 -2.878 1.00 0.00 O ATOM 199 CB SER A 24 8.788 -1.495 -0.868 1.00 0.00 C ATOM 200 OG SER A 24 9.957 -1.197 -0.110 1.00 0.00 O ATOM 0 H SER A 24 10.079 -3.699 -0.772 1.00 0.00 H new ATOM 0 HA SER A 24 8.178 -2.516 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.331 -0.566 -1.210 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.059 -1.993 -0.229 1.00 0.00 H new ATOM 0 HG SER A 24 9.697 -0.844 0.766 1.00 0.00 H new ATOM 201 N VAL A 25 9.669 -0.814 -3.813 1.00 0.00 N ATOM 202 CA VAL A 25 10.549 -0.102 -4.723 1.00 0.00 C ATOM 203 C VAL A 25 10.247 1.396 -4.651 1.00 0.00 C ATOM 204 O VAL A 25 9.730 1.880 -3.645 1.00 0.00 O ATOM 205 CB VAL A 25 10.413 -0.671 -6.136 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.673 -2.179 -6.147 1.00 0.00 C ATOM 207 CG2 VAL A 25 9.039 -0.348 -6.728 1.00 0.00 C ATOM 0 H VAL A 25 8.684 -0.559 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 25 11.590 -0.238 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 25 11.168 -0.196 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.570 -2.559 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.682 -2.377 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.952 -2.677 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.969 -0.764 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.261 -0.783 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.907 0.733 -6.773 1.00 0.00 H new ATOM 208 N ALA A 26 10.581 2.088 -5.729 1.00 0.00 N ATOM 209 CA ALA A 26 10.352 3.521 -5.801 1.00 0.00 C ATOM 210 C ALA A 26 11.098 4.093 -7.007 1.00 0.00 C ATOM 211 O ALA A 26 12.277 3.804 -7.207 1.00 0.00 O ATOM 212 CB ALA A 26 10.783 4.173 -4.486 1.00 0.00 C ATOM 0 H ALA A 26 11.009 1.683 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 26 9.292 3.734 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.611 5.248 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.202 3.753 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.843 3.983 -4.316 1.00 0.00 H new ATOM 213 N ASN A 27 10.381 4.895 -7.782 1.00 0.00 N ATOM 214 CA ASN A 27 10.960 5.510 -8.964 1.00 0.00 C ATOM 215 C ASN A 27 11.348 6.955 -8.643 1.00 0.00 C ATOM 216 O ASN A 27 12.513 7.329 -8.762 1.00 0.00 O ATOM 217 CB ASN A 27 9.957 5.534 -10.119 1.00 0.00 C ATOM 218 CG ASN A 27 9.085 6.791 -10.061 1.00 0.00 C ATOM 219 OD1 ASN A 27 8.156 6.761 -9.110 1.00 0.00 O flip ATOM 220 ND2 ASN A 27 9.246 7.725 -10.829 1.00 0.00 N flip ATOM 0 H ASN A 27 9.404 5.133 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 27 11.832 4.925 -9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.490 5.500 -11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.326 4.647 -10.076 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.979 7.683 -11.537 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.647 8.548 -10.763 1.00 0.00 H new ATOM 221 N ARG A 28 10.349 7.727 -8.241 1.00 0.00 N ATOM 222 CA ARG A 28 10.571 9.122 -7.902 1.00 0.00 C ATOM 223 C ARG A 28 9.955 9.442 -6.539 1.00 0.00 C ATOM 224 O ARG A 28 10.670 9.595 -5.550 1.00 0.00 O ATOM 225 CB ARG A 28 9.966 10.048 -8.959 1.00 0.00 C ATOM 226 CG ARG A 28 11.026 10.501 -9.964 1.00 0.00 C ATOM 227 CD ARG A 28 10.575 11.759 -10.709 1.00 0.00 C ATOM 228 NE ARG A 28 9.424 11.443 -11.584 1.00 0.00 N ATOM 229 CZ ARG A 28 9.507 10.696 -12.694 1.00 0.00 C ATOM 0 H ARG A 28 9.384 7.413 -8.142 1.00 0.00 H new ATOM 0 HA ARG A 28 11.648 9.287 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.161 9.531 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.524 10.919 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.964 10.699 -9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.220 9.701 -10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.298 12.535 -9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.398 12.154 -11.305 1.00 0.00 H new ATOM 0 HE ARG A 28 8.511 11.817 -11.326 1.00 0.00 H new ATOM 230 N GLN A 29 8.632 9.533 -6.530 1.00 0.00 N ATOM 231 CA GLN A 29 7.911 9.832 -5.304 1.00 0.00 C ATOM 232 C GLN A 29 6.903 8.723 -4.998 1.00 0.00 C ATOM 233 O GLN A 29 6.248 8.744 -3.957 1.00 0.00 O ATOM 234 CB GLN A 29 7.219 11.194 -5.395 1.00 0.00 C ATOM 235 CG GLN A 29 6.068 11.157 -6.403 1.00 0.00 C ATOM 236 CD GLN A 29 6.577 11.402 -7.825 1.00 0.00 C ATOM 237 OE1 GLN A 29 6.049 10.590 -8.735 1.00 0.00 O flip ATOM 238 NE2 GLN A 29 7.397 12.269 -8.078 1.00 0.00 N flip ATOM 0 H GLN A 29 8.042 9.405 -7.352 1.00 0.00 H new ATOM 0 HA GLN A 29 8.628 9.880 -4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.839 11.479 -4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.942 11.954 -5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.567 10.190 -6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.327 11.913 -6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.763 12.859 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.717 12.404 -9.037 1.00 0.00 H new ATOM 239 N PHE A 30 6.810 7.780 -5.924 1.00 0.00 N ATOM 240 CA PHE A 30 5.893 6.664 -5.766 1.00 0.00 C ATOM 241 C PHE A 30 6.646 5.383 -5.400 1.00 0.00 C ATOM 242 O PHE A 30 7.670 5.068 -6.003 1.00 0.00 O ATOM 243 CB PHE A 30 5.193 6.465 -7.111 1.00 0.00 C ATOM 244 CG PHE A 30 3.673 6.620 -7.051 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.124 7.838 -6.796 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.870 5.542 -7.254 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.712 7.982 -6.740 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.459 5.686 -7.200 1.00 0.00 C ATOM 249 CZ PHE A 30 0.910 6.904 -6.943 1.00 0.00 C ATOM 0 H PHE A 30 7.355 7.766 -6.786 1.00 0.00 H new ATOM 0 HA PHE A 30 5.183 6.876 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.593 7.183 -7.827 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.432 5.471 -7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.761 8.695 -6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.306 4.575 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.276 8.949 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.822 4.829 -7.363 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.164 7.014 -6.900 1.00 0.00 H new ATOM 250 N VAL A 31 6.108 4.678 -4.416 1.00 0.00 N ATOM 251 CA VAL A 31 6.716 3.438 -3.964 1.00 0.00 C ATOM 252 C VAL A 31 5.677 2.317 -4.015 1.00 0.00 C ATOM 253 O VAL A 31 4.660 2.376 -3.325 1.00 0.00 O ATOM 254 CB VAL A 31 7.321 3.629 -2.571 1.00 0.00 C ATOM 255 CG1 VAL A 31 6.665 4.805 -1.845 1.00 0.00 C ATOM 256 CG2 VAL A 31 7.213 2.345 -1.746 1.00 0.00 C ATOM 0 H VAL A 31 5.257 4.942 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 31 7.535 3.152 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 31 8.379 3.860 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.113 4.919 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.817 5.718 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.597 4.617 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.650 2.508 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.164 2.070 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.748 1.541 -2.252 1.00 0.00 H new ATOM 257 N VAL A 32 5.968 1.321 -4.840 1.00 0.00 N ATOM 258 CA VAL A 32 5.070 0.188 -4.990 1.00 0.00 C ATOM 259 C VAL A 32 5.581 -0.977 -4.140 1.00 0.00 C ATOM 260 O VAL A 32 6.688 -1.468 -4.355 1.00 0.00 O ATOM 261 CB VAL A 32 4.924 -0.171 -6.470 1.00 0.00 C ATOM 262 CG1 VAL A 32 4.180 0.930 -7.229 1.00 0.00 C ATOM 263 CG2 VAL A 32 6.288 -0.448 -7.105 1.00 0.00 C ATOM 0 H VAL A 32 6.812 1.275 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 32 4.072 0.440 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 32 4.332 -1.084 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.089 0.651 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.186 1.059 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.734 1.865 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.155 -0.701 -8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.915 0.440 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.767 -1.281 -6.590 1.00 0.00 H new ATOM 264 N TYR A 33 4.750 -1.387 -3.194 1.00 0.00 N ATOM 265 CA TYR A 33 5.103 -2.486 -2.311 1.00 0.00 C ATOM 266 C TYR A 33 4.524 -3.807 -2.821 1.00 0.00 C ATOM 267 O TYR A 33 3.307 -3.960 -2.913 1.00 0.00 O ATOM 268 CB TYR A 33 4.475 -2.156 -0.956 1.00 0.00 C ATOM 269 CG TYR A 33 5.483 -1.704 0.103 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.231 -0.561 -0.098 1.00 0.00 C ATOM 271 CD2 TYR A 33 5.644 -2.438 1.260 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.179 -0.135 0.897 1.00 0.00 C ATOM 273 CE2 TYR A 33 6.593 -2.013 2.257 1.00 0.00 C ATOM 274 CZ TYR A 33 7.313 -0.882 2.026 1.00 0.00 C ATOM 0 H TYR A 33 3.832 -0.978 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 33 6.186 -2.600 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.731 -1.371 -1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.947 -3.035 -0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.104 0.014 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.058 -3.332 1.418 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.770 0.757 0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.730 -2.579 3.167 1.00 0.00 H new ATOM 275 N THR A 34 5.422 -4.727 -3.138 1.00 0.00 N ATOM 276 CA THR A 34 5.015 -6.030 -3.636 1.00 0.00 C ATOM 277 C THR A 34 5.585 -7.141 -2.751 1.00 0.00 C ATOM 278 O THR A 34 6.455 -6.892 -1.919 1.00 0.00 O ATOM 279 CB THR A 34 5.450 -6.135 -5.098 1.00 0.00 C ATOM 280 OG1 THR A 34 6.872 -6.194 -5.034 1.00 0.00 O ATOM 281 CG2 THR A 34 5.166 -4.854 -5.887 1.00 0.00 C ATOM 0 H THR A 34 6.431 -4.596 -3.060 1.00 0.00 H new ATOM 0 HA THR A 34 3.932 -6.148 -3.595 1.00 0.00 H new ATOM 0 HB THR A 34 4.937 -6.973 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.203 -5.480 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.494 -4.982 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.096 -4.645 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.705 -4.021 -5.435 1.00 0.00 H new ATOM 282 N CYS A 35 5.071 -8.344 -2.962 1.00 0.00 N ATOM 283 CA CYS A 35 5.519 -9.494 -2.194 1.00 0.00 C ATOM 284 C CYS A 35 6.177 -10.486 -3.155 1.00 0.00 C ATOM 285 O CYS A 35 6.073 -10.339 -4.372 1.00 0.00 O ATOM 286 CB CYS A 35 4.370 -10.133 -1.413 1.00 0.00 C ATOM 287 SG CYS A 35 3.305 -11.102 -2.544 1.00 0.00 S ATOM 0 H CYS A 35 4.349 -8.547 -3.653 1.00 0.00 H new ATOM 0 HA CYS A 35 6.247 -9.176 -1.447 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.767 -10.780 -0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.781 -9.360 -0.919 1.00 0.00 H new ATOM 0 HG CYS A 35 2.333 -11.641 -1.869 1.00 0.00 H new ATOM 288 N ASN A 36 6.840 -11.474 -2.572 1.00 0.00 N ATOM 289 CA ASN A 36 7.515 -12.490 -3.361 1.00 0.00 C ATOM 290 C ASN A 36 6.477 -13.447 -3.949 1.00 0.00 C ATOM 291 O ASN A 36 6.318 -13.525 -5.166 1.00 0.00 O ATOM 292 CB ASN A 36 8.477 -13.309 -2.497 1.00 0.00 C ATOM 293 CG ASN A 36 9.025 -14.508 -3.274 1.00 0.00 C ATOM 294 OD1 ASN A 36 9.423 -14.408 -4.423 1.00 0.00 O ATOM 295 ND2 ASN A 36 9.023 -15.645 -2.583 1.00 0.00 N ATOM 0 H ASN A 36 6.924 -11.592 -1.562 1.00 0.00 H new ATOM 0 HA ASN A 36 8.076 -11.987 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.302 -12.678 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.962 -13.656 -1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.369 -16.503 -3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.675 -15.658 -1.624 1.00 0.00 H new ATOM 296 N ASN A 37 5.795 -14.150 -3.057 1.00 0.00 N ATOM 297 CA ASN A 37 4.776 -15.099 -3.472 1.00 0.00 C ATOM 298 C ASN A 37 5.450 -16.332 -4.080 1.00 0.00 C ATOM 299 O ASN A 37 6.668 -16.480 -4.001 1.00 0.00 O ATOM 300 CB ASN A 37 3.858 -14.490 -4.535 1.00 0.00 C ATOM 301 CG ASN A 37 2.397 -14.523 -4.081 1.00 0.00 C ATOM 302 OD1 ASN A 37 2.013 -15.262 -3.190 1.00 0.00 O ATOM 303 ND2 ASN A 37 1.608 -13.679 -4.740 1.00 0.00 N ATOM 0 H ASN A 37 5.928 -14.081 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 37 4.186 -15.366 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.158 -13.461 -4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.964 -15.039 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.616 -13.623 -4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.995 -13.088 -5.476 1.00 0.00 H new ATOM 304 N LYS A 38 4.627 -17.185 -4.671 1.00 0.00 N ATOM 305 CA LYS A 38 5.127 -18.399 -5.291 1.00 0.00 C ATOM 306 C LYS A 38 4.356 -18.661 -6.587 1.00 0.00 C ATOM 307 O LYS A 38 4.957 -18.842 -7.645 1.00 0.00 O ATOM 308 CB LYS A 38 5.080 -19.565 -4.301 1.00 0.00 C ATOM 309 CG LYS A 38 3.721 -19.635 -3.601 1.00 0.00 C ATOM 310 CD LYS A 38 2.894 -20.811 -4.126 1.00 0.00 C ATOM 311 CE LYS A 38 1.406 -20.612 -3.826 1.00 0.00 C ATOM 312 NZ LYS A 38 1.122 -20.900 -2.403 1.00 0.00 N ATOM 0 H LYS A 38 3.617 -17.059 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 38 6.176 -18.283 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.271 -20.501 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.870 -19.449 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.867 -19.739 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.177 -18.704 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.042 -20.913 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.240 -21.737 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.115 -19.588 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.810 -21.267 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.109 -20.760 -2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.381 -21.884 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.677 -20.258 -1.801 1.00 0.00 H new ATOM 313 N GLU A 39 3.038 -18.674 -6.460 1.00 0.00 N ATOM 314 CA GLU A 39 2.178 -18.911 -7.608 1.00 0.00 C ATOM 315 C GLU A 39 0.716 -18.646 -7.240 1.00 0.00 C ATOM 316 O GLU A 39 -0.071 -19.581 -7.106 1.00 0.00 O ATOM 317 CB GLU A 39 2.361 -20.331 -8.146 1.00 0.00 C ATOM 318 CG GLU A 39 2.914 -20.311 -9.572 1.00 0.00 C ATOM 319 CD GLU A 39 2.282 -21.417 -10.421 1.00 0.00 C ATOM 320 OE1 GLU A 39 1.067 -21.302 -10.689 1.00 0.00 O ATOM 321 OE2 GLU A 39 3.030 -22.351 -10.783 1.00 0.00 O ATOM 0 H GLU A 39 2.544 -18.524 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 39 2.463 -18.219 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.039 -20.885 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.406 -20.855 -8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.718 -19.341 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.996 -20.439 -9.548 1.00 0.00 H new ATOM 322 N ILE A 40 0.400 -17.369 -7.089 1.00 0.00 N ATOM 323 CA ILE A 40 -0.954 -16.970 -6.739 1.00 0.00 C ATOM 324 C ILE A 40 -1.825 -16.982 -7.997 1.00 0.00 C ATOM 325 O ILE A 40 -1.389 -17.437 -9.054 1.00 0.00 O ATOM 326 CB ILE A 40 -0.944 -15.625 -6.011 1.00 0.00 C ATOM 327 CG1 ILE A 40 -2.169 -15.483 -5.106 1.00 0.00 C ATOM 328 CG2 ILE A 40 -0.827 -14.465 -7.003 1.00 0.00 C ATOM 329 CD1 ILE A 40 -1.752 -15.251 -3.652 1.00 0.00 C ATOM 0 H ILE A 40 1.057 -16.597 -7.202 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.393 -17.682 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.063 -15.590 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.784 -14.651 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.782 -16.382 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.822 -13.520 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.099 -14.563 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.675 -14.485 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.641 -15.153 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.157 -16.096 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.160 -14.338 -3.584 1.00 0.00 H new ATOM 330 N ASP A 41 -3.040 -16.477 -7.841 1.00 0.00 N ATOM 331 CA ASP A 41 -3.977 -16.424 -8.951 1.00 0.00 C ATOM 332 C ASP A 41 -4.679 -15.066 -8.955 1.00 0.00 C ATOM 333 O ASP A 41 -5.620 -14.852 -9.719 1.00 0.00 O ATOM 334 CB ASP A 41 -5.046 -17.511 -8.820 1.00 0.00 C ATOM 335 CG ASP A 41 -4.577 -18.926 -9.163 1.00 0.00 C ATOM 336 OD1 ASP A 41 -3.647 -19.030 -9.991 1.00 0.00 O ATOM 337 OD2 ASP A 41 -5.158 -19.871 -8.589 1.00 0.00 O ATOM 0 H ASP A 41 -3.397 -16.101 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.418 -16.578 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.422 -17.508 -7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.884 -17.255 -9.469 1.00 0.00 H new ATOM 338 N HIS A 42 -4.196 -14.183 -8.094 1.00 0.00 N ATOM 339 CA HIS A 42 -4.767 -12.851 -7.989 1.00 0.00 C ATOM 340 C HIS A 42 -3.771 -11.919 -7.295 1.00 0.00 C ATOM 341 O HIS A 42 -2.862 -12.379 -6.605 1.00 0.00 O ATOM 342 CB HIS A 42 -6.125 -12.895 -7.287 1.00 0.00 C ATOM 343 CG HIS A 42 -6.227 -13.950 -6.211 1.00 0.00 C ATOM 344 ND1 HIS A 42 -5.479 -14.154 -5.089 1.00 0.00 N flip ATOM 345 CD2 HIS A 42 -7.186 -14.948 -6.229 1.00 0.00 C flip ATOM 346 CE1 HIS A 42 -5.957 -15.217 -4.454 1.00 0.00 C flip ATOM 347 NE2 HIS A 42 -7.014 -15.711 -5.159 1.00 0.00 N flip ATOM 0 H HIS A 42 -3.416 -14.364 -7.463 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.952 -12.452 -8.986 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.326 -11.919 -6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.901 -13.073 -8.031 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.945 -15.082 -6.986 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.572 -15.624 -3.531 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.574 -16.525 -4.907 1.00 0.00 H new ATOM 348 N PHE A 43 -3.976 -10.626 -7.502 1.00 0.00 N ATOM 349 CA PHE A 43 -3.107 -9.626 -6.904 1.00 0.00 C ATOM 350 C PHE A 43 -3.832 -8.862 -5.795 1.00 0.00 C ATOM 351 O PHE A 43 -4.968 -9.187 -5.453 1.00 0.00 O ATOM 352 CB PHE A 43 -2.723 -8.647 -8.015 1.00 0.00 C ATOM 353 CG PHE A 43 -3.919 -8.051 -8.760 1.00 0.00 C ATOM 354 CD1 PHE A 43 -4.458 -8.713 -9.820 1.00 0.00 C ATOM 355 CD2 PHE A 43 -4.443 -6.861 -8.364 1.00 0.00 C ATOM 356 CE1 PHE A 43 -5.567 -8.159 -10.512 1.00 0.00 C ATOM 357 CE2 PHE A 43 -5.553 -6.308 -9.056 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.091 -6.968 -10.115 1.00 0.00 C ATOM 0 H PHE A 43 -4.731 -10.248 -8.075 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.233 -10.107 -6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.136 -7.836 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.081 -9.160 -8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.042 -9.659 -10.134 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.015 -6.336 -7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.995 -8.683 -11.354 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.970 -5.363 -8.741 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.935 -6.547 -10.642 1.00 0.00 H new ATOM 359 N ARG A 44 -3.147 -7.861 -5.264 1.00 0.00 N ATOM 360 CA ARG A 44 -3.711 -7.047 -4.201 1.00 0.00 C ATOM 361 C ARG A 44 -3.455 -5.564 -4.473 1.00 0.00 C ATOM 362 O ARG A 44 -2.338 -5.081 -4.292 1.00 0.00 O ATOM 363 CB ARG A 44 -3.111 -7.421 -2.844 1.00 0.00 C ATOM 364 CG ARG A 44 -3.695 -8.739 -2.331 1.00 0.00 C ATOM 365 CD ARG A 44 -2.765 -9.385 -1.301 1.00 0.00 C ATOM 366 NE ARG A 44 -2.414 -10.758 -1.728 1.00 0.00 N ATOM 367 CZ ARG A 44 -3.135 -11.847 -1.426 1.00 0.00 C ATOM 0 H ARG A 44 -2.205 -7.595 -5.550 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.785 -7.234 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.028 -7.509 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.308 -6.627 -2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.672 -8.558 -1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.850 -9.422 -3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.860 -8.787 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.251 -9.412 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.570 -10.883 -2.287 1.00 0.00 H new ATOM 368 N LEU A 45 -4.507 -4.884 -4.904 1.00 0.00 N ATOM 369 CA LEU A 45 -4.409 -3.464 -5.203 1.00 0.00 C ATOM 370 C LEU A 45 -4.764 -2.659 -3.952 1.00 0.00 C ATOM 371 O LEU A 45 -5.938 -2.496 -3.625 1.00 0.00 O ATOM 372 CB LEU A 45 -5.264 -3.115 -6.423 1.00 0.00 C ATOM 373 CG LEU A 45 -4.562 -3.194 -7.779 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.528 -2.863 -8.918 1.00 0.00 C ATOM 375 CD2 LEU A 45 -3.318 -2.304 -7.807 1.00 0.00 C ATOM 0 H LEU A 45 -5.431 -5.289 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.386 -3.200 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.124 -3.784 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.650 -2.104 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.227 -4.220 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.003 -2.927 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.355 -3.573 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.916 -1.853 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.838 -2.380 -8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.607 -1.269 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.621 -2.628 -7.034 1.00 0.00 H new ATOM 376 N GLY A 46 -3.725 -2.174 -3.286 1.00 0.00 N ATOM 377 CA GLY A 46 -3.911 -1.388 -2.078 1.00 0.00 C ATOM 378 C GLY A 46 -3.227 -0.026 -2.199 1.00 0.00 C ATOM 379 O GLY A 46 -2.197 0.099 -2.861 1.00 0.00 O ATOM 0 H GLY A 46 -2.752 -2.310 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.976 -1.249 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.505 -1.928 -1.223 1.00 0.00 H new ATOM 380 N ILE A 47 -3.824 0.961 -1.548 1.00 0.00 N ATOM 381 CA ILE A 47 -3.286 2.310 -1.574 1.00 0.00 C ATOM 382 C ILE A 47 -2.789 2.683 -0.176 1.00 0.00 C ATOM 383 O ILE A 47 -3.464 2.418 0.817 1.00 0.00 O ATOM 384 CB ILE A 47 -4.315 3.287 -2.143 1.00 0.00 C ATOM 385 CG1 ILE A 47 -4.696 2.912 -3.577 1.00 0.00 C ATOM 386 CG2 ILE A 47 -3.815 4.730 -2.042 1.00 0.00 C ATOM 387 CD1 ILE A 47 -5.746 1.799 -3.591 1.00 0.00 C ATOM 0 H ILE A 47 -4.676 0.853 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.427 2.365 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.221 3.216 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.083 3.789 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.809 2.587 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.566 5.405 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.636 4.981 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.887 4.834 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.000 1.551 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.346 0.916 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.641 2.137 -3.068 1.00 0.00 H new ATOM 388 N SER A 48 -1.614 3.293 -0.143 1.00 0.00 N ATOM 389 CA SER A 48 -1.019 3.705 1.116 1.00 0.00 C ATOM 390 C SER A 48 -0.450 5.120 0.989 1.00 0.00 C ATOM 391 O SER A 48 0.014 5.512 -0.081 1.00 0.00 O ATOM 392 CB SER A 48 0.077 2.732 1.554 1.00 0.00 C ATOM 393 OG SER A 48 -0.426 1.717 2.420 1.00 0.00 O ATOM 0 H SER A 48 -1.057 3.512 -0.969 1.00 0.00 H new ATOM 0 HA SER A 48 -1.798 3.700 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.524 2.269 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.869 3.282 2.062 1.00 0.00 H new ATOM 0 HG SER A 48 0.303 1.115 2.676 1.00 0.00 H new ATOM 394 N VAL A 49 -0.506 5.848 2.095 1.00 0.00 N ATOM 395 CA VAL A 49 -0.002 7.211 2.120 1.00 0.00 C ATOM 396 C VAL A 49 0.833 7.418 3.385 1.00 0.00 C ATOM 397 O VAL A 49 0.811 6.587 4.290 1.00 0.00 O ATOM 398 CB VAL A 49 -1.163 8.200 2.001 1.00 0.00 C ATOM 399 CG1 VAL A 49 -0.665 9.644 2.081 1.00 0.00 C ATOM 400 CG2 VAL A 49 -1.957 7.964 0.716 1.00 0.00 C ATOM 0 H VAL A 49 -0.893 5.520 2.980 1.00 0.00 H new ATOM 0 HA VAL A 49 0.651 7.393 1.266 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.833 8.030 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.511 10.326 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.167 9.805 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.038 9.832 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.776 8.681 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.301 8.091 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.361 6.951 0.718 1.00 0.00 H new ATOM 401 N SER A 50 1.552 8.531 3.405 1.00 0.00 N ATOM 402 CA SER A 50 2.394 8.858 4.543 1.00 0.00 C ATOM 403 C SER A 50 1.644 9.792 5.496 1.00 0.00 C ATOM 404 O SER A 50 0.643 10.398 5.118 1.00 0.00 O ATOM 405 CB SER A 50 3.705 9.502 4.092 1.00 0.00 C ATOM 406 OG SER A 50 4.470 9.985 5.193 1.00 0.00 O ATOM 0 H SER A 50 1.569 9.218 2.651 1.00 0.00 H new ATOM 0 HA SER A 50 2.637 7.933 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.293 8.774 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.489 10.326 3.412 1.00 0.00 H new ATOM 0 HG SER A 50 5.300 10.387 4.863 1.00 0.00 H new ATOM 407 N LYS A 51 2.158 9.878 6.715 1.00 0.00 N ATOM 408 CA LYS A 51 1.551 10.728 7.725 1.00 0.00 C ATOM 409 C LYS A 51 2.351 12.027 7.841 1.00 0.00 C ATOM 410 O LYS A 51 2.029 12.888 8.658 1.00 0.00 O ATOM 411 CB LYS A 51 1.410 9.971 9.047 1.00 0.00 C ATOM 412 CG LYS A 51 0.183 9.059 9.029 1.00 0.00 C ATOM 413 CD LYS A 51 0.444 7.772 9.815 1.00 0.00 C ATOM 414 CE LYS A 51 1.361 6.830 9.035 1.00 0.00 C ATOM 415 NZ LYS A 51 0.604 6.134 7.970 1.00 0.00 N ATOM 0 H LYS A 51 2.988 9.373 7.025 1.00 0.00 H new ATOM 0 HA LYS A 51 0.538 11.004 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.306 9.377 9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.327 10.681 9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.671 9.584 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.077 8.814 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.898 8.014 10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.502 7.273 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.183 7.395 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.803 6.099 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.204 5.402 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.243 5.691 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.319 6.820 7.242 1.00 0.00 H new ATOM 416 N LYS A 52 3.380 12.126 7.012 1.00 0.00 N ATOM 417 CA LYS A 52 4.229 13.306 7.011 1.00 0.00 C ATOM 418 C LYS A 52 3.898 14.167 5.790 1.00 0.00 C ATOM 419 O LYS A 52 4.214 15.355 5.761 1.00 0.00 O ATOM 420 CB LYS A 52 5.703 12.905 7.101 1.00 0.00 C ATOM 421 CG LYS A 52 6.321 13.375 8.419 1.00 0.00 C ATOM 422 CD LYS A 52 7.449 14.378 8.169 1.00 0.00 C ATOM 423 CE LYS A 52 8.817 13.732 8.401 1.00 0.00 C ATOM 424 NZ LYS A 52 9.622 13.763 7.160 1.00 0.00 N ATOM 0 H LYS A 52 3.645 11.409 6.337 1.00 0.00 H new ATOM 0 HA LYS A 52 4.034 13.916 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.794 11.822 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.252 13.336 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.553 13.834 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.708 12.517 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.388 14.752 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.331 15.236 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.344 14.259 9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.688 12.702 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.547 13.321 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.125 13.241 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.761 14.749 6.861 1.00 0.00 H new ATOM 425 N LEU A 53 3.268 13.533 4.813 1.00 0.00 N ATOM 426 CA LEU A 53 2.892 14.225 3.593 1.00 0.00 C ATOM 427 C LEU A 53 2.444 15.647 3.936 1.00 0.00 C ATOM 428 O LEU A 53 3.100 16.617 3.561 1.00 0.00 O ATOM 429 CB LEU A 53 1.845 13.420 2.821 1.00 0.00 C ATOM 430 CG LEU A 53 2.126 13.207 1.331 1.00 0.00 C ATOM 431 CD1 LEU A 53 2.299 11.720 1.014 1.00 0.00 C ATOM 432 CD2 LEU A 53 1.042 13.855 0.470 1.00 0.00 C ATOM 0 H LEU A 53 3.008 12.547 4.842 1.00 0.00 H new ATOM 0 HA LEU A 53 3.749 14.312 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.745 12.443 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.883 13.923 2.921 1.00 0.00 H new ATOM 0 HG LEU A 53 3.067 13.700 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.498 11.596 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.135 11.320 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.388 11.183 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.266 13.689 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.075 13.413 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.011 14.926 0.669 1.00 0.00 H new ATOM 433 N GLY A 54 1.327 15.726 4.645 1.00 0.00 N ATOM 434 CA GLY A 54 0.783 17.014 5.043 1.00 0.00 C ATOM 435 C GLY A 54 -0.673 16.878 5.495 1.00 0.00 C ATOM 436 O GLY A 54 -0.948 16.316 6.554 1.00 0.00 O ATOM 0 H GLY A 54 0.784 14.920 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.382 17.431 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.845 17.713 4.209 1.00 0.00 H new ATOM 437 N ASN A 55 -1.566 17.401 4.668 1.00 0.00 N ATOM 438 CA ASN A 55 -2.987 17.346 4.969 1.00 0.00 C ATOM 439 C ASN A 55 -3.569 16.040 4.423 1.00 0.00 C ATOM 440 O ASN A 55 -2.837 15.077 4.194 1.00 0.00 O ATOM 441 CB ASN A 55 -3.735 18.508 4.314 1.00 0.00 C ATOM 442 CG ASN A 55 -4.820 19.055 5.243 1.00 0.00 C ATOM 443 OD1 ASN A 55 -4.648 19.162 6.446 1.00 0.00 O ATOM 444 ND2 ASN A 55 -5.945 19.394 4.620 1.00 0.00 N ATOM 0 H ASN A 55 -1.334 17.865 3.790 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.105 17.407 6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.032 19.302 4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.186 18.174 3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.730 19.769 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.023 19.279 3.610 1.00 0.00 H new ATOM 445 N ALA A 56 -4.880 16.049 4.229 1.00 0.00 N ATOM 446 CA ALA A 56 -5.567 14.878 3.714 1.00 0.00 C ATOM 447 C ALA A 56 -5.885 15.089 2.232 1.00 0.00 C ATOM 448 O ALA A 56 -6.091 14.127 1.494 1.00 0.00 O ATOM 449 CB ALA A 56 -6.824 14.616 4.546 1.00 0.00 C ATOM 0 H ALA A 56 -5.484 16.849 4.419 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.932 13.996 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.340 13.737 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.543 14.444 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.486 15.480 4.487 1.00 0.00 H new ATOM 450 N VAL A 57 -5.913 16.354 1.840 1.00 0.00 N ATOM 451 CA VAL A 57 -6.201 16.703 0.460 1.00 0.00 C ATOM 452 C VAL A 57 -5.066 16.204 -0.436 1.00 0.00 C ATOM 453 O VAL A 57 -5.304 15.767 -1.561 1.00 0.00 O ATOM 454 CB VAL A 57 -6.438 18.211 0.340 1.00 0.00 C ATOM 455 CG1 VAL A 57 -5.117 18.980 0.399 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.209 18.545 -0.938 1.00 0.00 C ATOM 0 H VAL A 57 -5.741 17.150 2.454 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.117 16.215 0.126 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.046 18.523 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.314 20.049 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.621 18.779 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.474 18.661 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.364 19.622 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.639 18.211 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.175 18.040 -0.923 1.00 0.00 H new ATOM 457 N LEU A 58 -3.855 16.284 0.096 1.00 0.00 N ATOM 458 CA LEU A 58 -2.683 15.846 -0.640 1.00 0.00 C ATOM 459 C LEU A 58 -2.616 14.318 -0.621 1.00 0.00 C ATOM 460 O LEU A 58 -1.969 13.710 -1.472 1.00 0.00 O ATOM 461 CB LEU A 58 -1.423 16.524 -0.097 1.00 0.00 C ATOM 462 CG LEU A 58 -1.235 16.472 1.420 1.00 0.00 C ATOM 463 CD1 LEU A 58 -1.508 15.066 1.959 1.00 0.00 C ATOM 464 CD2 LEU A 58 0.152 16.979 1.819 1.00 0.00 C ATOM 0 H LEU A 58 -3.661 16.646 1.030 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.754 16.150 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.555 16.062 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.435 17.569 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.965 17.140 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.367 15.057 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.533 14.779 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.819 14.359 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.259 16.931 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.915 16.357 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.272 18.011 1.488 1.00 0.00 H new ATOM 465 N ARG A 59 -3.292 13.740 0.361 1.00 0.00 N ATOM 466 CA ARG A 59 -3.317 12.295 0.504 1.00 0.00 C ATOM 467 C ARG A 59 -4.499 11.706 -0.270 1.00 0.00 C ATOM 468 O ARG A 59 -4.605 10.488 -0.415 1.00 0.00 O ATOM 469 CB ARG A 59 -3.426 11.887 1.975 1.00 0.00 C ATOM 470 CG ARG A 59 -3.943 10.454 2.110 1.00 0.00 C ATOM 471 CD ARG A 59 -3.678 9.905 3.513 1.00 0.00 C ATOM 472 NE ARG A 59 -4.312 8.578 3.666 1.00 0.00 N ATOM 473 CZ ARG A 59 -4.626 8.025 4.846 1.00 0.00 C ATOM 0 H ARG A 59 -3.827 14.247 1.066 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.382 11.906 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.450 11.972 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.097 12.570 2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.013 10.428 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.459 9.818 1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.604 9.826 3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.071 10.593 4.262 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.524 8.050 2.820 1.00 0.00 H new ATOM 474 N ASN A 60 -5.356 12.596 -0.747 1.00 0.00 N ATOM 475 CA ASN A 60 -6.525 12.180 -1.502 1.00 0.00 C ATOM 476 C ASN A 60 -6.186 12.167 -2.994 1.00 0.00 C ATOM 477 O ASN A 60 -6.737 11.371 -3.753 1.00 0.00 O ATOM 478 CB ASN A 60 -7.691 13.149 -1.290 1.00 0.00 C ATOM 479 CG ASN A 60 -8.862 12.453 -0.593 1.00 0.00 C ATOM 480 OD1 ASN A 60 -9.282 11.369 -0.961 1.00 0.00 O ATOM 481 ND2 ASN A 60 -9.362 13.136 0.433 1.00 0.00 N ATOM 0 H ASN A 60 -5.264 13.605 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.814 11.187 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.359 13.998 -0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.019 13.545 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.145 12.757 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.962 14.039 0.688 1.00 0.00 H new ATOM 482 N LYS A 61 -5.280 13.058 -3.369 1.00 0.00 N ATOM 483 CA LYS A 61 -4.860 13.159 -4.757 1.00 0.00 C ATOM 484 C LYS A 61 -3.911 12.005 -5.084 1.00 0.00 C ATOM 485 O LYS A 61 -3.934 11.473 -6.193 1.00 0.00 O ATOM 486 CB LYS A 61 -4.267 14.541 -5.038 1.00 0.00 C ATOM 487 CG LYS A 61 -4.444 14.925 -6.508 1.00 0.00 C ATOM 488 CD LYS A 61 -4.969 16.357 -6.641 1.00 0.00 C ATOM 489 CE LYS A 61 -3.819 17.346 -6.837 1.00 0.00 C ATOM 490 NZ LYS A 61 -4.318 18.613 -7.417 1.00 0.00 N ATOM 0 H LYS A 61 -4.825 13.716 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.718 13.064 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.750 15.284 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.207 14.545 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.491 14.833 -7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.137 14.234 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.655 16.420 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.536 16.625 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.334 17.543 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.065 16.911 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.524 19.273 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.760 18.422 -8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.021 19.035 -6.777 1.00 0.00 H new ATOM 491 N ILE A 62 -3.100 11.650 -4.098 1.00 0.00 N ATOM 492 CA ILE A 62 -2.146 10.568 -4.267 1.00 0.00 C ATOM 493 C ILE A 62 -2.900 9.242 -4.384 1.00 0.00 C ATOM 494 O ILE A 62 -2.477 8.346 -5.113 1.00 0.00 O ATOM 495 CB ILE A 62 -1.108 10.590 -3.143 1.00 0.00 C ATOM 496 CG1 ILE A 62 0.000 11.602 -3.439 1.00 0.00 C ATOM 497 CG2 ILE A 62 -0.551 9.188 -2.886 1.00 0.00 C ATOM 498 CD1 ILE A 62 0.743 11.991 -2.158 1.00 0.00 C ATOM 0 H ILE A 62 -3.084 12.093 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.583 10.696 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.602 10.914 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.702 11.178 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.429 12.492 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.185 9.230 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.364 8.521 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.077 8.813 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.526 12.711 -2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.042 12.436 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.191 11.102 -1.713 1.00 0.00 H new ATOM 499 N LYS A 63 -4.003 9.159 -3.654 1.00 0.00 N ATOM 500 CA LYS A 63 -4.819 7.957 -3.667 1.00 0.00 C ATOM 501 C LYS A 63 -5.839 8.050 -4.804 1.00 0.00 C ATOM 502 O LYS A 63 -6.063 7.078 -5.523 1.00 0.00 O ATOM 503 CB LYS A 63 -5.450 7.724 -2.292 1.00 0.00 C ATOM 504 CG LYS A 63 -6.642 6.769 -2.391 1.00 0.00 C ATOM 505 CD LYS A 63 -7.422 6.728 -1.076 1.00 0.00 C ATOM 506 CE LYS A 63 -8.877 6.320 -1.314 1.00 0.00 C ATOM 507 NZ LYS A 63 -9.257 5.207 -0.416 1.00 0.00 N ATOM 0 H LYS A 63 -4.350 9.904 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.202 7.080 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.705 7.312 -1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.775 8.675 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.301 7.087 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.291 5.768 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.950 6.023 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.389 7.707 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.533 7.174 -1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.011 6.019 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.248 4.943 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.643 4.388 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.148 5.507 0.574 1.00 0.00 H new ATOM 508 N ARG A 64 -6.429 9.229 -4.931 1.00 0.00 N ATOM 509 CA ARG A 64 -7.420 9.463 -5.968 1.00 0.00 C ATOM 510 C ARG A 64 -6.916 8.932 -7.311 1.00 0.00 C ATOM 511 O ARG A 64 -7.523 8.036 -7.896 1.00 0.00 O ATOM 512 CB ARG A 64 -7.738 10.953 -6.101 1.00 0.00 C ATOM 513 CG ARG A 64 -8.280 11.275 -7.496 1.00 0.00 C ATOM 514 CD ARG A 64 -9.181 12.510 -7.461 1.00 0.00 C ATOM 515 NE ARG A 64 -9.753 12.758 -8.804 1.00 0.00 N ATOM 516 CZ ARG A 64 -10.641 11.953 -9.401 1.00 0.00 C ATOM 0 H ARG A 64 -6.240 10.033 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.330 8.935 -5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.470 11.241 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.839 11.539 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.450 11.445 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.841 10.422 -7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.982 12.365 -6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.609 13.378 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.452 13.594 -9.305 1.00 0.00 H new ATOM 517 N ALA A 65 -5.811 9.509 -7.763 1.00 0.00 N ATOM 518 CA ALA A 65 -5.220 9.106 -9.026 1.00 0.00 C ATOM 519 C ALA A 65 -5.051 7.585 -9.044 1.00 0.00 C ATOM 520 O ALA A 65 -5.460 6.922 -9.996 1.00 0.00 O ATOM 521 CB ALA A 65 -3.894 9.841 -9.226 1.00 0.00 C ATOM 0 H ALA A 65 -5.311 10.252 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.872 9.375 -9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.450 9.539 -10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.072 10.916 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.214 9.593 -8.411 1.00 0.00 H new ATOM 522 N ILE A 66 -4.447 7.076 -7.980 1.00 0.00 N ATOM 523 CA ILE A 66 -4.220 5.646 -7.860 1.00 0.00 C ATOM 524 C ILE A 66 -5.535 4.903 -8.102 1.00 0.00 C ATOM 525 O ILE A 66 -5.598 3.997 -8.932 1.00 0.00 O ATOM 526 CB ILE A 66 -3.565 5.318 -6.517 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.178 5.955 -6.413 1.00 0.00 C ATOM 528 CG2 ILE A 66 -3.521 3.806 -6.284 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.650 5.889 -4.979 1.00 0.00 C ATOM 0 H ILE A 66 -4.108 7.629 -7.193 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.518 5.306 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.177 5.749 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.487 5.442 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.226 6.994 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.051 3.600 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.536 3.408 -6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.945 3.332 -7.079 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.663 6.349 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.330 6.423 -4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.580 4.848 -4.665 1.00 0.00 H new ATOM 530 N ARG A 67 -6.554 5.314 -7.361 1.00 0.00 N ATOM 531 CA ARG A 67 -7.865 4.698 -7.483 1.00 0.00 C ATOM 532 C ARG A 67 -8.474 5.014 -8.851 1.00 0.00 C ATOM 533 O ARG A 67 -9.512 4.463 -9.214 1.00 0.00 O ATOM 534 CB ARG A 67 -8.810 5.191 -6.386 1.00 0.00 C ATOM 535 CG ARG A 67 -9.495 4.017 -5.683 1.00 0.00 C ATOM 536 CD ARG A 67 -11.010 4.060 -5.895 1.00 0.00 C ATOM 537 NE ARG A 67 -11.692 4.346 -4.613 1.00 0.00 N ATOM 538 CZ ARG A 67 -11.819 3.460 -3.616 1.00 0.00 C ATOM 0 H ARG A 67 -6.498 6.066 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.736 3.621 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.252 5.780 -5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.563 5.850 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.097 3.077 -6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.272 4.047 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.261 4.826 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.357 3.108 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.090 5.276 -4.480 1.00 0.00 H new ATOM 539 N GLU A 68 -7.801 5.899 -9.572 1.00 0.00 N ATOM 540 CA GLU A 68 -8.263 6.294 -10.892 1.00 0.00 C ATOM 541 C GLU A 68 -7.329 5.739 -11.970 1.00 0.00 C ATOM 542 O GLU A 68 -7.583 5.905 -13.161 1.00 0.00 O ATOM 543 CB GLU A 68 -8.381 7.816 -10.999 1.00 0.00 C ATOM 544 CG GLU A 68 -8.622 8.247 -12.446 1.00 0.00 C ATOM 545 CD GLU A 68 -9.314 9.611 -12.505 1.00 0.00 C ATOM 546 OE1 GLU A 68 -8.671 10.592 -12.077 1.00 0.00 O ATOM 547 OE2 GLU A 68 -10.471 9.639 -12.978 1.00 0.00 O ATOM 0 H GLU A 68 -6.940 6.353 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.256 5.874 -11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.200 8.166 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.470 8.282 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.672 8.294 -12.978 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.235 7.502 -12.954 1.00 0.00 H new ATOM 548 N ASN A 69 -6.268 5.092 -11.511 1.00 0.00 N ATOM 549 CA ASN A 69 -5.294 4.512 -12.421 1.00 0.00 C ATOM 550 C ASN A 69 -5.247 2.997 -12.213 1.00 0.00 C ATOM 551 O ASN A 69 -4.621 2.279 -12.991 1.00 0.00 O ATOM 552 CB ASN A 69 -3.894 5.069 -12.158 1.00 0.00 C ATOM 553 CG ASN A 69 -2.913 4.622 -13.243 1.00 0.00 C ATOM 554 OD1 ASN A 69 -2.536 3.351 -13.140 1.00 0.00 O flip ATOM 555 ND2 ASN A 69 -2.524 5.380 -14.116 1.00 0.00 N flip ATOM 0 H ASN A 69 -6.061 4.956 -10.521 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.595 4.760 -13.439 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.933 6.158 -12.124 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.542 4.732 -11.183 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.853 6.345 -14.137 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.869 5.049 -14.825 1.00 0.00 H new ATOM 556 N PHE A 70 -5.917 2.556 -11.158 1.00 0.00 N ATOM 557 CA PHE A 70 -5.960 1.140 -10.837 1.00 0.00 C ATOM 558 C PHE A 70 -7.244 0.496 -11.365 1.00 0.00 C ATOM 559 O PHE A 70 -7.373 -0.727 -11.368 1.00 0.00 O ATOM 560 CB PHE A 70 -5.937 1.026 -9.311 1.00 0.00 C ATOM 561 CG PHE A 70 -4.541 0.808 -8.725 1.00 0.00 C ATOM 562 CD1 PHE A 70 -3.586 0.173 -9.457 1.00 0.00 C ATOM 563 CD2 PHE A 70 -4.253 1.250 -7.471 1.00 0.00 C ATOM 564 CE1 PHE A 70 -2.290 -0.029 -8.913 1.00 0.00 C ATOM 565 CE2 PHE A 70 -2.958 1.049 -6.926 1.00 0.00 C ATOM 566 CZ PHE A 70 -2.003 0.414 -7.658 1.00 0.00 C ATOM 0 H PHE A 70 -6.434 3.155 -10.515 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.114 0.629 -11.296 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.362 1.934 -8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.580 0.199 -9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.814 -0.178 -10.453 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.011 1.754 -6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.533 -0.534 -9.494 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.731 1.400 -5.930 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.017 0.261 -7.244 1.00 0.00 H new ATOM 567 N LYS A 71 -8.159 1.348 -11.801 1.00 0.00 N ATOM 568 CA LYS A 71 -9.427 0.878 -12.330 1.00 0.00 C ATOM 569 C LYS A 71 -9.417 1.003 -13.855 1.00 0.00 C ATOM 570 O LYS A 71 -10.414 0.708 -14.513 1.00 0.00 O ATOM 571 CB LYS A 71 -10.593 1.611 -11.662 1.00 0.00 C ATOM 572 CG LYS A 71 -10.623 3.084 -12.076 1.00 0.00 C ATOM 573 CD LYS A 71 -11.626 3.314 -13.208 1.00 0.00 C ATOM 574 CE LYS A 71 -12.872 4.041 -12.700 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.608 5.492 -12.568 1.00 0.00 N ATOM 0 H LYS A 71 -8.047 2.362 -11.799 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.568 -0.177 -12.096 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.533 1.133 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.502 1.536 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.889 3.701 -11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.629 3.396 -12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.158 3.898 -14.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.912 2.357 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.702 3.877 -13.388 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.172 3.631 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.464 5.971 -12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.830 5.643 -11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.344 5.883 -13.495 1.00 0.00 H new ATOM 576 N VAL A 72 -8.278 1.442 -14.373 1.00 0.00 N ATOM 577 CA VAL A 72 -8.125 1.610 -15.808 1.00 0.00 C ATOM 578 C VAL A 72 -7.434 0.376 -16.390 1.00 0.00 C ATOM 579 O VAL A 72 -7.957 -0.261 -17.303 1.00 0.00 O ATOM 580 CB VAL A 72 -7.376 2.911 -16.105 1.00 0.00 C ATOM 581 CG1 VAL A 72 -8.015 4.091 -15.370 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.892 2.782 -15.753 1.00 0.00 C ATOM 0 H VAL A 72 -7.453 1.686 -13.824 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.099 1.694 -16.289 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.450 3.104 -17.175 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.464 5.003 -15.598 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.050 4.203 -15.692 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.987 3.909 -14.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.383 3.720 -15.974 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.788 2.553 -14.692 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.447 1.980 -16.342 1.00 0.00 H new ATOM 583 N HIS A 73 -6.267 0.074 -15.838 1.00 0.00 N ATOM 584 CA HIS A 73 -5.498 -1.073 -16.291 1.00 0.00 C ATOM 585 C HIS A 73 -5.682 -2.233 -15.311 1.00 0.00 C ATOM 586 O HIS A 73 -4.887 -3.171 -15.298 1.00 0.00 O ATOM 587 CB HIS A 73 -4.030 -0.696 -16.496 1.00 0.00 C ATOM 588 CG HIS A 73 -3.322 -0.275 -15.229 1.00 0.00 C ATOM 589 ND1 HIS A 73 -3.815 0.179 -14.042 1.00 0.00 N flip ATOM 590 CD2 HIS A 73 -1.944 -0.301 -15.098 1.00 0.00 C flip ATOM 591 CE1 HIS A 73 -2.793 0.419 -13.228 1.00 0.00 C flip ATOM 592 NE2 HIS A 73 -1.633 0.122 -13.881 1.00 0.00 N flip ATOM 0 H HIS A 73 -5.836 0.604 -15.081 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.867 -1.402 -17.263 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.504 -1.547 -16.929 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.972 0.117 -17.220 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -4.801 0.312 -13.817 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.242 -0.613 -15.858 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.868 0.788 -12.216 1.00 0.00 H new ATOM 593 N LYS A 74 -6.736 -2.132 -14.515 1.00 0.00 N ATOM 594 CA LYS A 74 -7.035 -3.161 -13.534 1.00 0.00 C ATOM 595 C LYS A 74 -7.006 -4.531 -14.214 1.00 0.00 C ATOM 596 O LYS A 74 -6.822 -5.553 -13.554 1.00 0.00 O ATOM 597 CB LYS A 74 -8.353 -2.856 -12.821 1.00 0.00 C ATOM 598 CG LYS A 74 -8.328 -3.367 -11.379 1.00 0.00 C ATOM 599 CD LYS A 74 -9.455 -4.373 -11.134 1.00 0.00 C ATOM 600 CE LYS A 74 -9.693 -4.578 -9.637 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.068 -5.067 -9.392 1.00 0.00 N ATOM 0 H LYS A 74 -7.394 -1.353 -14.529 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.274 -3.176 -12.754 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.533 -1.781 -12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.178 -3.320 -13.361 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.366 -3.836 -11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.428 -2.528 -10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.372 -4.019 -11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.204 -5.326 -11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.971 -5.293 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.535 -3.639 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.061 -5.741 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.686 -4.264 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.425 -5.541 -10.246 1.00 0.00 H new ATOM 602 N SER A 75 -7.191 -4.509 -15.526 1.00 0.00 N ATOM 603 CA SER A 75 -7.189 -5.737 -16.303 1.00 0.00 C ATOM 604 C SER A 75 -5.767 -6.063 -16.762 1.00 0.00 C ATOM 605 O SER A 75 -5.426 -7.229 -16.957 1.00 0.00 O ATOM 606 CB SER A 75 -8.124 -5.627 -17.509 1.00 0.00 C ATOM 607 OG SER A 75 -9.492 -5.531 -17.117 1.00 0.00 O ATOM 0 H SER A 75 -7.343 -3.660 -16.071 1.00 0.00 H new ATOM 0 HA SER A 75 -7.553 -6.544 -15.668 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.854 -4.751 -18.099 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.991 -6.497 -18.151 1.00 0.00 H new ATOM 0 HG SER A 75 -10.057 -5.461 -17.915 1.00 0.00 H new ATOM 608 N HIS A 76 -4.975 -5.013 -16.922 1.00 0.00 N ATOM 609 CA HIS A 76 -3.598 -5.173 -17.355 1.00 0.00 C ATOM 610 C HIS A 76 -2.742 -5.650 -16.179 1.00 0.00 C ATOM 611 O HIS A 76 -1.653 -6.187 -16.376 1.00 0.00 O ATOM 612 CB HIS A 76 -3.072 -3.883 -17.986 1.00 0.00 C ATOM 613 CG HIS A 76 -4.140 -3.040 -18.641 1.00 0.00 C ATOM 614 ND1 HIS A 76 -5.461 -3.295 -18.869 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -3.894 -1.774 -19.144 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -5.992 -2.241 -19.478 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -5.022 -1.299 -19.651 1.00 0.00 N flip ATOM 0 H HIS A 76 -5.261 -4.048 -16.759 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.545 -5.936 -18.132 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.576 -3.290 -17.217 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.316 -4.136 -18.730 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.944 -1.261 -19.126 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.023 -2.146 -19.786 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.143 -0.388 -20.093 1.00 0.00 H new ATOM 618 N ILE A 77 -3.268 -5.436 -14.982 1.00 0.00 N ATOM 619 CA ILE A 77 -2.566 -5.837 -13.774 1.00 0.00 C ATOM 620 C ILE A 77 -2.791 -7.330 -13.531 1.00 0.00 C ATOM 621 O ILE A 77 -3.918 -7.815 -13.618 1.00 0.00 O ATOM 622 CB ILE A 77 -2.981 -4.952 -12.596 1.00 0.00 C ATOM 623 CG1 ILE A 77 -2.208 -3.632 -12.603 1.00 0.00 C ATOM 624 CG2 ILE A 77 -2.827 -5.699 -11.270 1.00 0.00 C ATOM 625 CD1 ILE A 77 -2.153 -3.037 -14.011 1.00 0.00 C ATOM 0 H ILE A 77 -4.172 -4.990 -14.823 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.492 -5.691 -13.890 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.037 -4.707 -12.708 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.683 -2.924 -11.924 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.196 -3.797 -12.234 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.128 -5.049 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.457 -6.588 -11.278 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.786 -5.993 -11.137 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.598 -2.099 -13.988 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.656 -3.737 -14.683 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.166 -2.850 -14.367 1.00 0.00 H new ATOM 626 N LEU A 78 -1.699 -8.018 -13.231 1.00 0.00 N ATOM 627 CA LEU A 78 -1.763 -9.447 -12.974 1.00 0.00 C ATOM 628 C LEU A 78 -1.649 -9.696 -11.469 1.00 0.00 C ATOM 629 O LEU A 78 -1.539 -8.753 -10.686 1.00 0.00 O ATOM 630 CB LEU A 78 -0.708 -10.187 -13.801 1.00 0.00 C ATOM 631 CG LEU A 78 0.571 -9.407 -14.108 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.306 -8.302 -15.133 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.203 -8.860 -12.827 1.00 0.00 C ATOM 0 H LEU A 78 -0.766 -7.613 -13.160 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.725 -9.849 -13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.435 -11.100 -13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.161 -10.489 -14.745 1.00 0.00 H new ATOM 0 HG LEU A 78 1.291 -10.094 -14.553 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.232 -7.762 -15.334 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.064 -8.745 -16.058 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.439 -7.611 -14.738 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.111 -8.310 -13.075 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.499 -8.193 -12.330 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.451 -9.687 -12.162 1.00 0.00 H new ATOM 634 N ALA A 79 -1.683 -10.971 -11.107 1.00 0.00 N ATOM 635 CA ALA A 79 -1.586 -11.356 -9.710 1.00 0.00 C ATOM 636 C ALA A 79 -0.355 -10.693 -9.088 1.00 0.00 C ATOM 637 O ALA A 79 0.332 -9.911 -9.743 1.00 0.00 O ATOM 638 CB ALA A 79 -1.543 -12.881 -9.603 1.00 0.00 C ATOM 0 H ALA A 79 -1.776 -11.750 -11.758 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.460 -11.015 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.470 -13.170 -8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.452 -13.302 -10.033 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.676 -13.259 -10.145 1.00 0.00 H new ATOM 639 N LYS A 80 -0.115 -11.030 -7.829 1.00 0.00 N ATOM 640 CA LYS A 80 1.021 -10.476 -7.110 1.00 0.00 C ATOM 641 C LYS A 80 0.585 -9.207 -6.376 1.00 0.00 C ATOM 642 O LYS A 80 0.151 -8.242 -7.003 1.00 0.00 O ATOM 643 CB LYS A 80 2.203 -10.264 -8.058 1.00 0.00 C ATOM 644 CG LYS A 80 2.444 -11.505 -8.921 1.00 0.00 C ATOM 645 CD LYS A 80 2.911 -11.115 -10.325 1.00 0.00 C ATOM 646 CE LYS A 80 2.631 -12.235 -11.327 1.00 0.00 C ATOM 647 NZ LYS A 80 3.219 -13.510 -10.859 1.00 0.00 N ATOM 0 H LYS A 80 -0.687 -11.679 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 80 1.372 -11.177 -6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.010 -9.403 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.100 -10.038 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.193 -12.141 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.526 -12.089 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.403 -10.204 -10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.978 -10.895 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.555 -12.351 -11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.046 -11.972 -12.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.262 -14.184 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.179 -13.338 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.630 -13.906 -10.099 1.00 0.00 H new ATOM 648 N ASP A 81 0.718 -9.248 -5.059 1.00 0.00 N ATOM 649 CA ASP A 81 0.344 -8.112 -4.233 1.00 0.00 C ATOM 650 C ASP A 81 0.981 -6.842 -4.800 1.00 0.00 C ATOM 651 O ASP A 81 2.006 -6.908 -5.477 1.00 0.00 O ATOM 652 CB ASP A 81 0.838 -8.289 -2.796 1.00 0.00 C ATOM 653 CG ASP A 81 0.446 -9.612 -2.135 1.00 0.00 C ATOM 654 OD1 ASP A 81 0.443 -10.629 -2.861 1.00 0.00 O ATOM 655 OD2 ASP A 81 0.159 -9.576 -0.919 1.00 0.00 O ATOM 0 H ASP A 81 1.080 -10.050 -4.543 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.744 -8.039 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.925 -8.205 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.450 -7.469 -2.191 1.00 0.00 H new ATOM 656 N ILE A 82 0.348 -5.717 -4.504 1.00 0.00 N ATOM 657 CA ILE A 82 0.842 -4.435 -4.976 1.00 0.00 C ATOM 658 C ILE A 82 0.271 -3.319 -4.097 1.00 0.00 C ATOM 659 O ILE A 82 -0.879 -3.392 -3.665 1.00 0.00 O ATOM 660 CB ILE A 82 0.539 -4.260 -6.466 1.00 0.00 C ATOM 661 CG1 ILE A 82 1.027 -2.899 -6.968 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.948 -4.478 -6.753 1.00 0.00 C ATOM 663 CD1 ILE A 82 -0.022 -1.814 -6.715 1.00 0.00 C ATOM 0 H ILE A 82 -0.503 -5.666 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 82 1.927 -4.388 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 82 1.088 -5.023 -7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.958 -2.634 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.245 -2.957 -8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.136 -4.348 -7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.232 -5.487 -6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.537 -3.754 -6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.349 -0.857 -7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.943 -2.070 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.220 -1.742 -5.646 1.00 0.00 H new ATOM 664 N ILE A 83 1.100 -2.314 -3.860 1.00 0.00 N ATOM 665 CA ILE A 83 0.692 -1.185 -3.041 1.00 0.00 C ATOM 666 C ILE A 83 1.561 0.027 -3.382 1.00 0.00 C ATOM 667 O ILE A 83 2.720 0.098 -2.975 1.00 0.00 O ATOM 668 CB ILE A 83 0.715 -1.562 -1.559 1.00 0.00 C ATOM 669 CG1 ILE A 83 -0.240 -2.722 -1.273 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.418 -0.346 -0.679 1.00 0.00 C ATOM 671 CD1 ILE A 83 -0.383 -2.957 0.232 1.00 0.00 C ATOM 0 H ILE A 83 2.052 -2.257 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.340 -0.909 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 83 1.720 -1.903 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.217 -2.508 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.129 -3.628 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.440 -0.642 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.170 0.423 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.568 0.048 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.067 -3.787 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.592 -3.195 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.776 -2.057 0.705 1.00 0.00 H new ATOM 672 N VAL A 84 0.968 0.951 -4.124 1.00 0.00 N ATOM 673 CA VAL A 84 1.674 2.157 -4.523 1.00 0.00 C ATOM 674 C VAL A 84 1.555 3.204 -3.414 1.00 0.00 C ATOM 675 O VAL A 84 0.625 4.008 -3.412 1.00 0.00 O ATOM 676 CB VAL A 84 1.146 2.650 -5.870 1.00 0.00 C ATOM 677 CG1 VAL A 84 1.438 1.637 -6.979 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.350 2.961 -5.792 1.00 0.00 C ATOM 0 H VAL A 84 0.007 0.889 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 84 2.735 1.950 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 84 1.668 3.575 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.052 2.013 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.515 1.487 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.956 0.689 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.700 3.310 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.895 2.059 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.522 3.736 -5.045 1.00 0.00 H new ATOM 679 N ILE A 85 2.511 3.160 -2.496 1.00 0.00 N ATOM 680 CA ILE A 85 2.524 4.094 -1.384 1.00 0.00 C ATOM 681 C ILE A 85 3.161 5.410 -1.837 1.00 0.00 C ATOM 682 O ILE A 85 3.905 5.439 -2.815 1.00 0.00 O ATOM 683 CB ILE A 85 3.206 3.468 -0.166 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.875 1.978 -0.058 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.850 4.229 1.112 1.00 0.00 C ATOM 686 CD1 ILE A 85 4.129 1.123 -0.251 1.00 0.00 C ATOM 0 H ILE A 85 3.282 2.492 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 85 1.507 4.324 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 85 4.285 3.549 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.435 1.769 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.130 1.712 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.347 3.764 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.177 5.265 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.771 4.202 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.866 0.068 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.553 1.316 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.862 1.374 0.515 1.00 0.00 H new ATOM 687 N ALA A 86 2.844 6.467 -1.104 1.00 0.00 N ATOM 688 CA ALA A 86 3.375 7.783 -1.418 1.00 0.00 C ATOM 689 C ALA A 86 4.612 8.046 -0.557 1.00 0.00 C ATOM 690 O ALA A 86 4.495 8.332 0.634 1.00 0.00 O ATOM 691 CB ALA A 86 2.286 8.837 -1.211 1.00 0.00 C ATOM 0 H ALA A 86 2.226 6.439 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 86 3.682 7.834 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.685 9.824 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.442 8.621 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.954 8.818 -0.173 1.00 0.00 H new ATOM 692 N ARG A 87 5.769 7.941 -1.193 1.00 0.00 N ATOM 693 CA ARG A 87 7.028 8.165 -0.500 1.00 0.00 C ATOM 694 C ARG A 87 6.866 9.266 0.550 1.00 0.00 C ATOM 695 O ARG A 87 6.628 8.979 1.722 1.00 0.00 O ATOM 696 CB ARG A 87 8.132 8.564 -1.481 1.00 0.00 C ATOM 697 CG ARG A 87 9.063 7.383 -1.767 1.00 0.00 C ATOM 698 CD ARG A 87 10.304 7.433 -0.873 1.00 0.00 C ATOM 699 NE ARG A 87 11.486 6.950 -1.621 1.00 0.00 N ATOM 700 CZ ARG A 87 11.837 5.660 -1.720 1.00 0.00 C ATOM 0 H ARG A 87 5.862 7.704 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 87 7.310 7.232 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.687 8.915 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.707 9.394 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.530 6.447 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.364 7.398 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.473 8.453 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.149 6.819 0.014 1.00 0.00 H new ATOM 0 HE ARG A 87 12.070 7.642 -2.091 1.00 0.00 H new ATOM 701 N GLN A 88 7.001 10.502 0.092 1.00 0.00 N ATOM 702 CA GLN A 88 6.874 11.646 0.978 1.00 0.00 C ATOM 703 C GLN A 88 6.686 12.928 0.164 1.00 0.00 C ATOM 704 O GLN A 88 5.703 13.645 0.346 1.00 0.00 O ATOM 705 CB GLN A 88 8.084 11.758 1.906 1.00 0.00 C ATOM 706 CG GLN A 88 9.020 10.561 1.734 1.00 0.00 C ATOM 707 CD GLN A 88 10.397 10.850 2.336 1.00 0.00 C ATOM 708 OE1 GLN A 88 10.922 11.948 2.251 1.00 0.00 O ATOM 709 NE2 GLN A 88 10.950 9.806 2.948 1.00 0.00 N ATOM 0 H GLN A 88 7.197 10.736 -0.881 1.00 0.00 H new ATOM 0 HA GLN A 88 5.992 11.502 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 88 8.625 12.680 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.748 11.816 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.586 9.684 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.124 10.326 0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.456 8.914 2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.868 9.897 3.383 1.00 0.00 H new ATOM 710 N PRO A 89 7.669 13.185 -0.739 1.00 0.00 N ATOM 711 CA PRO A 89 7.622 14.368 -1.581 1.00 0.00 C ATOM 712 C PRO A 89 6.590 14.205 -2.700 1.00 0.00 C ATOM 713 O PRO A 89 6.526 15.025 -3.614 1.00 0.00 O ATOM 714 CB PRO A 89 9.040 14.538 -2.102 1.00 0.00 C ATOM 715 CG PRO A 89 9.718 13.191 -1.910 1.00 0.00 C ATOM 716 CD PRO A 89 8.849 12.359 -0.983 1.00 0.00 C ATOM 0 HA PRO A 89 7.302 15.257 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.038 14.828 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.566 15.321 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.845 12.687 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.713 13.322 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.578 11.408 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.370 12.128 -0.054 1.00 0.00 H new ATOM 717 N ALA A 90 5.808 13.142 -2.588 1.00 0.00 N ATOM 718 CA ALA A 90 4.783 12.860 -3.578 1.00 0.00 C ATOM 719 C ALA A 90 3.563 13.743 -3.308 1.00 0.00 C ATOM 720 O ALA A 90 2.492 13.517 -3.869 1.00 0.00 O ATOM 721 CB ALA A 90 4.441 11.368 -3.550 1.00 0.00 C ATOM 0 H ALA A 90 5.863 12.465 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 90 5.143 13.093 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.672 11.157 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.334 10.786 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.073 11.098 -2.560 1.00 0.00 H new ATOM 722 N LYS A 91 3.767 14.730 -2.449 1.00 0.00 N ATOM 723 CA LYS A 91 2.697 15.649 -2.097 1.00 0.00 C ATOM 724 C LYS A 91 2.623 16.763 -3.144 1.00 0.00 C ATOM 725 O LYS A 91 1.534 17.208 -3.506 1.00 0.00 O ATOM 726 CB LYS A 91 2.878 16.161 -0.667 1.00 0.00 C ATOM 727 CG LYS A 91 4.207 16.903 -0.514 1.00 0.00 C ATOM 728 CD LYS A 91 4.151 17.893 0.651 1.00 0.00 C ATOM 729 CE LYS A 91 5.520 18.030 1.319 1.00 0.00 C ATOM 730 NZ LYS A 91 6.161 19.306 0.931 1.00 0.00 N ATOM 0 H LYS A 91 4.657 14.914 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 91 1.736 15.136 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.054 16.826 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.843 15.324 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.011 16.186 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.439 17.435 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.819 18.867 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.417 17.557 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.408 17.987 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.157 17.194 1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.089 19.383 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.285 19.332 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.560 20.101 1.228 1.00 0.00 H new ATOM 731 N ASP A 92 3.794 17.180 -3.601 1.00 0.00 N ATOM 732 CA ASP A 92 3.875 18.234 -4.599 1.00 0.00 C ATOM 733 C ASP A 92 3.501 17.664 -5.968 1.00 0.00 C ATOM 734 O ASP A 92 3.460 18.393 -6.958 1.00 0.00 O ATOM 735 CB ASP A 92 5.295 18.795 -4.692 1.00 0.00 C ATOM 736 CG ASP A 92 5.492 20.169 -4.047 1.00 0.00 C ATOM 737 OD1 ASP A 92 4.500 20.926 -4.012 1.00 0.00 O ATOM 738 OD2 ASP A 92 6.632 20.429 -3.603 1.00 0.00 O ATOM 0 H ASP A 92 4.694 16.808 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 92 3.191 19.030 -4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.980 18.089 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.575 18.860 -5.743 1.00 0.00 H new ATOM 739 N MET A 93 3.237 16.365 -5.981 1.00 0.00 N ATOM 740 CA MET A 93 2.867 15.689 -7.212 1.00 0.00 C ATOM 741 C MET A 93 1.490 16.145 -7.696 1.00 0.00 C ATOM 742 O MET A 93 0.931 17.106 -7.170 1.00 0.00 O ATOM 743 CB MET A 93 2.852 14.177 -6.979 1.00 0.00 C ATOM 744 CG MET A 93 3.900 13.477 -7.847 1.00 0.00 C ATOM 745 SD MET A 93 3.526 11.736 -7.972 1.00 0.00 S ATOM 746 CE MET A 93 2.583 11.514 -6.473 1.00 0.00 C ATOM 0 H MET A 93 3.272 15.763 -5.158 1.00 0.00 H new ATOM 0 HA MET A 93 3.601 15.941 -7.977 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.046 13.966 -5.927 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.863 13.780 -7.207 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.920 13.925 -8.840 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.892 13.614 -7.416 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.526 10.452 -6.233 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.070 12.045 -5.655 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.577 11.909 -6.614 1.00 0.00 H new ATOM 747 N THR A 94 0.983 15.435 -8.693 1.00 0.00 N ATOM 748 CA THR A 94 -0.319 15.754 -9.254 1.00 0.00 C ATOM 749 C THR A 94 -0.942 14.514 -9.897 1.00 0.00 C ATOM 750 O THR A 94 -0.232 13.583 -10.274 1.00 0.00 O ATOM 751 CB THR A 94 -0.139 16.919 -10.230 1.00 0.00 C ATOM 752 OG1 THR A 94 1.050 16.593 -10.945 1.00 0.00 O ATOM 753 CG2 THR A 94 0.202 18.231 -9.520 1.00 0.00 C ATOM 0 H THR A 94 1.451 14.639 -9.127 1.00 0.00 H new ATOM 0 HA THR A 94 -1.019 16.065 -8.478 1.00 0.00 H new ATOM 0 HB THR A 94 -1.051 17.048 -10.813 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.240 17.296 -11.601 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.319 19.024 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.602 18.492 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.132 18.113 -8.964 1.00 0.00 H new ATOM 754 N THR A 95 -2.263 14.541 -10.000 1.00 0.00 N ATOM 755 CA THR A 95 -2.990 13.430 -10.590 1.00 0.00 C ATOM 756 C THR A 95 -2.341 13.009 -11.910 1.00 0.00 C ATOM 757 O THR A 95 -2.550 11.891 -12.379 1.00 0.00 O ATOM 758 CB THR A 95 -4.453 13.849 -10.739 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.020 13.597 -9.456 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.234 12.927 -11.678 1.00 0.00 C ATOM 0 H THR A 95 -2.848 15.315 -9.685 1.00 0.00 H new ATOM 0 HA THR A 95 -2.953 12.548 -9.950 1.00 0.00 H new ATOM 0 HB THR A 95 -4.500 14.872 -11.112 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.969 13.843 -9.464 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.266 13.269 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.778 12.945 -12.668 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.215 11.909 -11.288 1.00 0.00 H new ATOM 761 N LEU A 96 -1.566 13.925 -12.470 1.00 0.00 N ATOM 762 CA LEU A 96 -0.885 13.663 -13.727 1.00 0.00 C ATOM 763 C LEU A 96 0.356 12.809 -13.460 1.00 0.00 C ATOM 764 O LEU A 96 0.577 11.801 -14.131 1.00 0.00 O ATOM 765 CB LEU A 96 -0.585 14.973 -14.458 1.00 0.00 C ATOM 766 CG LEU A 96 0.205 14.848 -15.762 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.683 14.569 -15.483 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.414 13.791 -16.679 1.00 0.00 C ATOM 0 H LEU A 96 -1.394 14.850 -12.077 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.528 13.092 -14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.531 15.469 -14.676 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.031 15.625 -13.782 1.00 0.00 H new ATOM 0 HG LEU A 96 0.151 15.802 -16.287 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.222 14.485 -16.427 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.103 15.386 -14.897 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.779 13.637 -14.926 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.167 13.722 -17.599 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.411 12.825 -16.175 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.440 14.072 -16.918 1.00 0.00 H new ATOM 769 N GLN A 97 1.135 13.244 -12.480 1.00 0.00 N ATOM 770 CA GLN A 97 2.348 12.532 -12.117 1.00 0.00 C ATOM 771 C GLN A 97 2.006 11.145 -11.570 1.00 0.00 C ATOM 772 O GLN A 97 2.569 10.144 -12.011 1.00 0.00 O ATOM 773 CB GLN A 97 3.172 13.333 -11.107 1.00 0.00 C ATOM 774 CG GLN A 97 3.531 14.712 -11.662 1.00 0.00 C ATOM 775 CD GLN A 97 4.773 15.276 -10.969 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.792 14.619 -10.830 1.00 0.00 O ATOM 777 NE2 GLN A 97 4.632 16.528 -10.542 1.00 0.00 N ATOM 0 H GLN A 97 0.949 14.080 -11.927 1.00 0.00 H new ATOM 0 HA GLN A 97 2.955 12.407 -13.014 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.609 13.445 -10.181 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.083 12.787 -10.862 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.710 14.641 -12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.692 15.394 -11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.752 17.021 -10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.404 16.995 -10.066 1.00 0.00 H new ATOM 778 N ILE A 98 1.086 11.130 -10.617 1.00 0.00 N ATOM 779 CA ILE A 98 0.663 9.883 -10.004 1.00 0.00 C ATOM 780 C ILE A 98 0.464 8.827 -11.093 1.00 0.00 C ATOM 781 O ILE A 98 0.614 7.632 -10.839 1.00 0.00 O ATOM 782 CB ILE A 98 -0.574 10.106 -9.132 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.286 11.117 -8.020 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.103 8.782 -8.579 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.517 11.976 -7.725 1.00 0.00 C ATOM 0 H ILE A 98 0.621 11.962 -10.254 1.00 0.00 H new ATOM 0 HA ILE A 98 1.435 9.509 -9.332 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.360 10.530 -9.758 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.019 10.591 -7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.546 11.757 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.982 8.970 -7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.373 8.124 -9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.331 8.306 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.284 12.685 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.805 12.520 -8.625 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.340 11.335 -7.409 1.00 0.00 H new ATOM 786 N GLN A 99 0.129 9.305 -12.283 1.00 0.00 N ATOM 787 CA GLN A 99 -0.091 8.417 -13.411 1.00 0.00 C ATOM 788 C GLN A 99 1.230 8.128 -14.126 1.00 0.00 C ATOM 789 O GLN A 99 1.483 6.998 -14.540 1.00 0.00 O ATOM 790 CB GLN A 99 -1.120 9.004 -14.378 1.00 0.00 C ATOM 791 CG GLN A 99 -2.519 9.008 -13.756 1.00 0.00 C ATOM 792 CD GLN A 99 -3.518 9.735 -14.658 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.755 9.359 -15.794 1.00 0.00 O ATOM 794 NE2 GLN A 99 -4.088 10.793 -14.089 1.00 0.00 N ATOM 0 H GLN A 99 0.005 10.296 -12.490 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.490 7.476 -13.034 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.834 10.021 -14.645 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.130 8.423 -15.300 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.851 7.983 -13.592 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.486 9.492 -12.780 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.843 11.052 -13.133 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.770 11.346 -14.608 1.00 0.00 H new ATOM 795 N ASN A 100 2.039 9.170 -14.250 1.00 0.00 N ATOM 796 CA ASN A 100 3.329 9.043 -14.907 1.00 0.00 C ATOM 797 C ASN A 100 4.257 8.190 -14.039 1.00 0.00 C ATOM 798 O ASN A 100 5.253 7.658 -14.527 1.00 0.00 O ATOM 799 CB ASN A 100 3.987 10.411 -15.099 1.00 0.00 C ATOM 800 CG ASN A 100 3.584 11.029 -16.439 1.00 0.00 C ATOM 801 OD1 ASN A 100 3.386 10.348 -17.432 1.00 0.00 O ATOM 802 ND2 ASN A 100 3.475 12.354 -16.412 1.00 0.00 N ATOM 0 H ASN A 100 1.826 10.106 -13.906 1.00 0.00 H new ATOM 0 HA ASN A 100 3.167 8.581 -15.881 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.696 11.076 -14.286 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.071 10.307 -15.054 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.211 12.861 -17.257 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.655 12.863 -15.547 1.00 0.00 H new ATOM 803 N SER A 101 3.896 8.086 -12.769 1.00 0.00 N ATOM 804 CA SER A 101 4.685 7.306 -11.829 1.00 0.00 C ATOM 805 C SER A 101 4.526 5.814 -12.125 1.00 0.00 C ATOM 806 O SER A 101 5.513 5.114 -12.349 1.00 0.00 O ATOM 807 CB SER A 101 4.277 7.608 -10.385 1.00 0.00 C ATOM 808 OG SER A 101 4.665 8.918 -9.983 1.00 0.00 O ATOM 0 H SER A 101 3.069 8.528 -12.368 1.00 0.00 H new ATOM 0 HA SER A 101 5.732 7.583 -11.948 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.197 7.503 -10.284 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.732 6.875 -9.719 1.00 0.00 H new ATOM 0 HG SER A 101 5.355 8.857 -9.290 1.00 0.00 H new ATOM 809 N LEU A 102 3.277 5.371 -12.116 1.00 0.00 N ATOM 810 CA LEU A 102 2.978 3.974 -12.381 1.00 0.00 C ATOM 811 C LEU A 102 3.696 3.536 -13.659 1.00 0.00 C ATOM 812 O LEU A 102 3.938 2.347 -13.863 1.00 0.00 O ATOM 813 CB LEU A 102 1.464 3.749 -12.417 1.00 0.00 C ATOM 814 CG LEU A 102 0.769 3.648 -11.058 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.404 4.627 -10.969 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.337 2.208 -10.770 1.00 0.00 C ATOM 0 H LEU A 102 2.461 5.954 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 102 3.352 3.344 -11.574 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.008 4.566 -12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.266 2.833 -12.973 1.00 0.00 H new ATOM 0 HG LEU A 102 1.484 3.931 -10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.881 4.535 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.039 5.646 -11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.129 4.398 -11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.155 2.163 -9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.356 1.874 -11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.213 1.560 -10.764 1.00 0.00 H new ATOM 817 N GLU A 103 4.016 4.520 -14.487 1.00 0.00 N ATOM 818 CA GLU A 103 4.701 4.251 -15.739 1.00 0.00 C ATOM 819 C GLU A 103 6.138 3.799 -15.472 1.00 0.00 C ATOM 820 O GLU A 103 6.859 3.427 -16.397 1.00 0.00 O ATOM 821 CB GLU A 103 4.672 5.477 -16.654 1.00 0.00 C ATOM 822 CG GLU A 103 3.711 5.264 -17.825 1.00 0.00 C ATOM 823 CD GLU A 103 4.467 4.848 -19.088 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.988 3.711 -19.088 1.00 0.00 O ATOM 825 OE2 GLU A 103 4.509 5.675 -20.024 1.00 0.00 O ATOM 0 H GLU A 103 3.813 5.505 -14.315 1.00 0.00 H new ATOM 0 HA GLU A 103 4.177 3.444 -16.251 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.367 6.354 -16.083 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.674 5.676 -17.033 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.981 4.498 -17.565 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.156 6.182 -18.016 1.00 0.00 H new ATOM 826 N HIS A 104 6.513 3.846 -14.201 1.00 0.00 N ATOM 827 CA HIS A 104 7.850 3.447 -13.800 1.00 0.00 C ATOM 828 C HIS A 104 7.782 2.665 -12.487 1.00 0.00 C ATOM 829 O HIS A 104 7.993 1.454 -12.470 1.00 0.00 O ATOM 830 CB HIS A 104 8.778 4.661 -13.718 1.00 0.00 C ATOM 831 CG HIS A 104 10.122 4.366 -13.096 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.483 3.460 -12.143 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 11.276 5.048 -13.444 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 11.786 3.578 -11.923 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 12.280 4.562 -12.728 1.00 0.00 N flip ATOM 0 H HIS A 104 5.913 4.155 -13.436 1.00 0.00 H new ATOM 0 HA HIS A 104 8.276 2.786 -14.555 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.933 5.056 -14.722 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.286 5.443 -13.140 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.346 5.841 -14.174 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.361 2.991 -11.222 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.251 4.870 -12.771 1.00 0.00 H new ATOM 836 N VAL A 105 7.484 3.390 -11.418 1.00 0.00 N ATOM 837 CA VAL A 105 7.385 2.779 -10.104 1.00 0.00 C ATOM 838 C VAL A 105 6.780 1.381 -10.241 1.00 0.00 C ATOM 839 O VAL A 105 7.347 0.405 -9.751 1.00 0.00 O ATOM 840 CB VAL A 105 6.586 3.687 -9.165 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.100 3.683 -9.531 1.00 0.00 C ATOM 842 CG2 VAL A 105 6.792 3.280 -7.704 1.00 0.00 C ATOM 0 H VAL A 105 7.308 4.395 -11.436 1.00 0.00 H new ATOM 0 HA VAL A 105 8.374 2.663 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 105 6.958 4.705 -9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.555 4.336 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.976 4.042 -10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.709 2.669 -9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.214 3.940 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.460 2.252 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.849 3.358 -7.450 1.00 0.00 H new ATOM 843 N LEU A 106 5.637 1.327 -10.910 1.00 0.00 N ATOM 844 CA LEU A 106 4.951 0.064 -11.118 1.00 0.00 C ATOM 845 C LEU A 106 5.808 -0.839 -12.007 1.00 0.00 C ATOM 846 O LEU A 106 5.955 -2.029 -11.731 1.00 0.00 O ATOM 847 CB LEU A 106 3.541 0.303 -11.663 1.00 0.00 C ATOM 848 CG LEU A 106 3.156 -0.505 -12.903 1.00 0.00 C ATOM 849 CD1 LEU A 106 3.543 -1.976 -12.741 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.669 -0.336 -13.228 1.00 0.00 C ATOM 0 H LEU A 106 5.169 2.138 -11.315 1.00 0.00 H new ATOM 0 HA LEU A 106 4.818 -0.456 -10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.825 0.081 -10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.438 1.362 -11.898 1.00 0.00 H new ATOM 0 HG LEU A 106 3.718 -0.116 -13.752 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.258 -2.528 -13.637 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.620 -2.055 -12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.027 -2.395 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.421 -0.921 -14.114 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.071 -0.683 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.455 0.716 -13.416 1.00 0.00 H new ATOM 851 N LYS A 107 6.354 -0.238 -13.053 1.00 0.00 N ATOM 852 CA LYS A 107 7.193 -0.973 -13.984 1.00 0.00 C ATOM 853 C LYS A 107 8.240 -1.769 -13.201 1.00 0.00 C ATOM 854 O LYS A 107 8.789 -2.746 -13.708 1.00 0.00 O ATOM 855 CB LYS A 107 7.793 -0.027 -15.027 1.00 0.00 C ATOM 856 CG LYS A 107 6.752 0.362 -16.077 1.00 0.00 C ATOM 857 CD LYS A 107 7.360 0.355 -17.481 1.00 0.00 C ATOM 858 CE LYS A 107 6.471 1.113 -18.469 1.00 0.00 C ATOM 859 NZ LYS A 107 7.011 1.006 -19.842 1.00 0.00 N ATOM 0 H LYS A 107 6.232 0.750 -13.277 1.00 0.00 H new ATOM 0 HA LYS A 107 6.598 -1.693 -14.546 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.171 0.869 -14.535 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.643 -0.507 -15.513 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.913 -0.332 -16.037 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.357 1.353 -15.853 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.350 0.810 -17.454 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.491 -0.673 -17.819 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.458 0.711 -18.438 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.407 2.162 -18.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.395 1.526 -20.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.968 1.411 -19.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.050 0.005 -20.123 1.00 0.00 H new ATOM 860 N ILE A 108 8.485 -1.320 -11.979 1.00 0.00 N ATOM 861 CA ILE A 108 9.456 -1.978 -11.121 1.00 0.00 C ATOM 862 C ILE A 108 8.751 -3.053 -10.292 1.00 0.00 C ATOM 863 O ILE A 108 9.301 -4.132 -10.071 1.00 0.00 O ATOM 864 CB ILE A 108 10.211 -0.948 -10.278 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.633 0.252 -11.128 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.401 -1.591 -9.563 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.568 1.177 -10.346 1.00 0.00 C ATOM 0 H ILE A 108 8.028 -0.509 -11.562 1.00 0.00 H new ATOM 0 HA ILE A 108 10.214 -2.483 -11.720 1.00 0.00 H new ATOM 0 HB ILE A 108 9.536 -0.576 -9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.133 -0.096 -12.032 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.750 0.806 -11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.920 -0.837 -8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.045 -2.386 -8.907 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.086 -2.009 -10.301 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.853 2.022 -10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.057 1.543 -9.455 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.461 0.627 -10.051 1.00 0.00 H new ATOM 868 N ALA A 109 7.544 -2.723 -9.855 1.00 0.00 N ATOM 869 CA ALA A 109 6.759 -3.647 -9.055 1.00 0.00 C ATOM 870 C ALA A 109 6.534 -4.936 -9.847 1.00 0.00 C ATOM 871 O ALA A 109 6.601 -6.031 -9.292 1.00 0.00 O ATOM 872 CB ALA A 109 5.446 -2.978 -8.644 1.00 0.00 C ATOM 0 H ALA A 109 7.091 -1.828 -10.040 1.00 0.00 H new ATOM 0 HA ALA A 109 7.290 -3.911 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.857 -3.671 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.661 -2.084 -8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.884 -2.702 -9.536 1.00 0.00 H new ATOM 873 N LYS A 110 6.269 -4.763 -11.134 1.00 0.00 N ATOM 874 CA LYS A 110 6.032 -5.900 -12.009 1.00 0.00 C ATOM 875 C LYS A 110 4.586 -6.370 -11.848 1.00 0.00 C ATOM 876 O LYS A 110 4.313 -7.569 -11.865 1.00 0.00 O ATOM 877 CB LYS A 110 7.068 -6.997 -11.753 1.00 0.00 C ATOM 878 CG LYS A 110 8.427 -6.395 -11.390 1.00 0.00 C ATOM 879 CD LYS A 110 9.565 -7.162 -12.067 1.00 0.00 C ATOM 880 CE LYS A 110 10.197 -8.168 -11.104 1.00 0.00 C ATOM 881 NZ LYS A 110 9.492 -9.466 -11.174 1.00 0.00 N ATOM 0 H LYS A 110 6.213 -3.853 -11.592 1.00 0.00 H new ATOM 0 HA LYS A 110 6.158 -5.611 -13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.726 -7.644 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.168 -7.621 -12.641 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.458 -5.349 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.561 -6.417 -10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.185 -7.684 -12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.324 -6.461 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.250 -8.305 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.157 -7.780 -10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.934 -10.137 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.493 -9.333 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.552 -9.842 -12.142 1.00 0.00 H new ATOM 882 N VAL A 111 3.696 -5.400 -11.695 1.00 0.00 N ATOM 883 CA VAL A 111 2.284 -5.700 -11.530 1.00 0.00 C ATOM 884 C VAL A 111 1.547 -5.395 -12.835 1.00 0.00 C ATOM 885 O VAL A 111 0.341 -5.155 -12.829 1.00 0.00 O ATOM 886 CB VAL A 111 1.722 -4.930 -10.332 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.524 -5.228 -9.064 1.00 0.00 C ATOM 888 CG2 VAL A 111 1.681 -3.428 -10.615 1.00 0.00 C ATOM 0 H VAL A 111 3.925 -4.406 -11.682 1.00 0.00 H new ATOM 0 HA VAL A 111 2.141 -6.759 -11.315 1.00 0.00 H new ATOM 0 HB VAL A 111 0.698 -5.267 -10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.104 -4.669 -8.228 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.477 -6.295 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.563 -4.933 -9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.278 -2.905 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.690 -3.068 -10.819 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.046 -3.238 -11.481 1.00 0.00 H new ATOM 889 N PHE A 112 2.303 -5.414 -13.923 1.00 0.00 N ATOM 890 CA PHE A 112 1.737 -5.143 -15.233 1.00 0.00 C ATOM 891 C PHE A 112 2.423 -5.984 -16.312 1.00 0.00 C ATOM 892 O PHE A 112 3.636 -5.892 -16.497 1.00 0.00 O ATOM 893 CB PHE A 112 1.981 -3.661 -15.528 1.00 0.00 C ATOM 894 CG PHE A 112 3.430 -3.327 -15.888 1.00 0.00 C ATOM 895 CD1 PHE A 112 4.443 -3.744 -15.082 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.704 -2.615 -17.013 1.00 0.00 C ATOM 897 CE1 PHE A 112 5.789 -3.435 -15.417 1.00 0.00 C ATOM 898 CE2 PHE A 112 5.049 -2.306 -17.347 1.00 0.00 C ATOM 899 CZ PHE A 112 6.063 -2.723 -16.542 1.00 0.00 C ATOM 0 H PHE A 112 3.303 -5.613 -13.924 1.00 0.00 H new ATOM 0 HA PHE A 112 0.675 -5.390 -15.237 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.334 -3.353 -16.349 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.690 -3.075 -14.656 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.225 -4.309 -14.188 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.899 -2.284 -17.653 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.594 -3.766 -14.778 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.267 -1.740 -18.240 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.086 -2.488 -16.797 1.00 0.00 H new ATOM 900 N ASN A 113 1.617 -6.783 -16.994 1.00 0.00 N ATOM 901 CA ASN A 113 2.131 -7.640 -18.050 1.00 0.00 C ATOM 902 C ASN A 113 3.192 -6.879 -18.847 1.00 0.00 C ATOM 903 O ASN A 113 4.238 -7.434 -19.182 1.00 0.00 O ATOM 904 CB ASN A 113 1.019 -8.051 -19.016 1.00 0.00 C ATOM 905 CG ASN A 113 -0.003 -8.956 -18.323 1.00 0.00 C ATOM 906 OD1 ASN A 113 0.297 -10.055 -17.887 1.00 0.00 O ATOM 907 ND2 ASN A 113 -1.223 -8.434 -18.247 1.00 0.00 N ATOM 0 H ASN A 113 0.612 -6.856 -16.837 1.00 0.00 H new ATOM 0 HA ASN A 113 2.553 -8.531 -17.586 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.520 -7.162 -19.402 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.450 -8.571 -19.872 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.976 -8.960 -17.803 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.406 -7.508 -18.633 1.00 0.00 H new ATOM 908 N LYS A 114 2.887 -5.620 -19.127 1.00 0.00 N ATOM 909 CA LYS A 114 3.802 -4.778 -19.879 1.00 0.00 C ATOM 910 C LYS A 114 3.163 -3.404 -20.093 1.00 0.00 C ATOM 911 O LYS A 114 3.688 -2.393 -19.632 1.00 0.00 O ATOM 912 CB LYS A 114 4.223 -5.470 -21.176 1.00 0.00 C ATOM 913 CG LYS A 114 5.742 -5.649 -21.233 1.00 0.00 C ATOM 914 CD LYS A 114 6.223 -5.798 -22.677 1.00 0.00 C ATOM 915 CE LYS A 114 7.734 -5.575 -22.779 1.00 0.00 C ATOM 916 NZ LYS A 114 8.448 -6.870 -22.816 1.00 0.00 N ATOM 0 H LYS A 114 2.019 -5.163 -18.847 1.00 0.00 H new ATOM 0 HA LYS A 114 4.723 -4.618 -19.318 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.736 -6.442 -21.249 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.890 -4.882 -22.031 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.230 -4.792 -20.770 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.030 -6.529 -20.658 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.973 -6.793 -23.046 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.703 -5.082 -23.313 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.963 -5.001 -23.677 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.079 -4.987 -21.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.472 -6.700 -22.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.244 -7.404 -21.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.131 -7.418 -23.642 1.00 0.00 H new ATOM 917 N LYS A 115 2.038 -3.413 -20.795 1.00 0.00 N ATOM 918 CA LYS A 115 1.322 -2.181 -21.076 1.00 0.00 C ATOM 919 C LYS A 115 0.344 -2.416 -22.229 1.00 0.00 C ATOM 920 O LYS A 115 0.731 -2.363 -23.395 1.00 0.00 O ATOM 921 CB LYS A 115 2.305 -1.035 -21.328 1.00 0.00 C ATOM 922 CG LYS A 115 3.467 -1.495 -22.211 1.00 0.00 C ATOM 923 CD LYS A 115 4.811 -1.081 -21.609 1.00 0.00 C ATOM 924 CE LYS A 115 5.756 -0.549 -22.688 1.00 0.00 C ATOM 925 NZ LYS A 115 7.065 -1.234 -22.614 1.00 0.00 N ATOM 0 H LYS A 115 1.606 -4.254 -21.177 1.00 0.00 H new ATOM 0 HA LYS A 115 0.730 -1.879 -20.212 1.00 0.00 H new ATOM 0 HB2 LYS A 115 1.786 -0.204 -21.807 1.00 0.00 H new ATOM 0 HB3 LYS A 115 2.690 -0.665 -20.378 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.434 -2.578 -22.326 1.00 0.00 H new ATOM 0 HG3 LYS A 115 3.363 -1.066 -23.207 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.653 -0.315 -20.850 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.268 -1.935 -21.110 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.315 -0.701 -23.673 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.893 0.525 -22.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.763 -0.711 -23.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.381 -1.273 -21.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.972 -2.201 -22.986 1.00 0.00 H new ATOM 926 N ILE A 116 -0.903 -2.671 -21.862 1.00 0.00 N ATOM 927 CA ILE A 116 -1.940 -2.914 -22.851 1.00 0.00 C ATOM 928 C ILE A 116 -1.926 -1.787 -23.886 1.00 0.00 C ATOM 929 O ILE A 116 -1.720 -0.624 -23.539 1.00 0.00 O ATOM 930 CB ILE A 116 -3.295 -3.108 -22.169 1.00 0.00 C ATOM 931 CG1 ILE A 116 -3.553 -4.586 -21.871 1.00 0.00 C ATOM 932 CG2 ILE A 116 -4.420 -2.486 -23.000 1.00 0.00 C ATOM 933 CD1 ILE A 116 -5.047 -4.855 -21.683 1.00 0.00 C ATOM 0 H ILE A 116 -1.219 -2.715 -20.893 1.00 0.00 H new ATOM 0 HA ILE A 116 -1.745 -3.842 -23.389 1.00 0.00 H new ATOM 0 HB ILE A 116 -3.274 -2.586 -21.212 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -3.170 -5.198 -22.688 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -3.011 -4.879 -20.972 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.373 -2.638 -22.493 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -4.237 -1.418 -23.118 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -4.452 -2.959 -23.981 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.203 -5.913 -21.472 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -5.422 -4.260 -20.850 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.583 -4.584 -22.593 1.00 0.00 H new ATOM 934 N LYS A 117 -2.148 -2.170 -25.134 1.00 0.00 N ATOM 935 CA LYS A 117 -2.164 -1.206 -26.222 1.00 0.00 C ATOM 936 C LYS A 117 -3.194 -1.639 -27.266 1.00 0.00 C ATOM 937 O LYS A 117 -3.841 -0.800 -27.890 1.00 0.00 O ATOM 938 CB LYS A 117 -0.756 -1.014 -26.789 1.00 0.00 C ATOM 939 CG LYS A 117 -0.448 0.469 -27.002 1.00 0.00 C ATOM 940 CD LYS A 117 1.028 0.767 -26.731 1.00 0.00 C ATOM 941 CE LYS A 117 1.562 1.821 -27.703 1.00 0.00 C ATOM 942 NZ LYS A 117 2.225 1.174 -28.858 1.00 0.00 N ATOM 0 H LYS A 117 -2.318 -3.135 -25.417 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.472 -0.226 -25.858 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.024 -1.447 -26.108 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.665 -1.547 -27.735 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.698 0.753 -28.024 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.072 1.072 -26.342 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.150 1.117 -25.706 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.611 -0.149 -26.826 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.743 2.450 -28.052 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.268 2.473 -27.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.581 1.904 -29.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.019 0.592 -28.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.541 0.570 -29.357 1.00 0.00 H new TER 943 LYS A 117