USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 966 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 100 HIS HE2 : A 100 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 87 GLN : amide:sc= -0.73 K(o=-1.9,f=-7.4!) USER MOD Set 1.2: A 89 ASN : amide:sc= -1.17! X(o=-1.9!,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.737 (180deg=0.491) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 1.14 (180deg=0.914) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 13 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 1.15 (180deg=0.963) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 1.47 (180deg=1.3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 37 ASN : amide:sc= -0.891! K(o=-0.89!,f=-1.7) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc=-0.00163 (180deg=-0.0565) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.4) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -156:sc= 0.751 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= 1.17 (180deg=1) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.06) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 1.19 (180deg=1.14) USER MOD Single : A 65 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.25) USER MOD Single : A 69 LYS NZ :NH3+ -129:sc= 0.869 (180deg=0.157) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.08) USER MOD Single : A 81 HIS : no HE2:sc= 0.508 K(o=0.51,f=-5.6!) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.0395 (180deg=-0.252) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0523 K(o=-0.052,f=-0.6) USER MOD Single : A 95 SER OG : rot 108:sc= 1.28 USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.0537 X(o=-0.054,f=-0.55) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 105 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -171:sc= 2.4 (180deg=2.28) USER MOD Single : A 114 LYS NZ :NH3+ -147:sc= 1.18 (180deg=1.01) USER MOD Single : A 115 ASN : amide:sc= -0.0771 K(o=-0.077,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.459 8.284 4.101 1.00 0.00 N ATOM 2 CA MET A 1 -15.488 8.109 5.573 1.00 0.00 C ATOM 3 C MET A 1 -14.068 7.886 6.084 1.00 0.00 C ATOM 4 O MET A 1 -13.495 6.810 5.898 1.00 0.00 O ATOM 5 CB MET A 1 -16.386 6.929 5.963 1.00 0.00 C ATOM 6 CG MET A 1 -16.475 6.703 7.466 1.00 0.00 C ATOM 7 SD MET A 1 -17.113 8.142 8.347 1.00 0.00 S ATOM 8 CE MET A 1 -17.061 7.544 10.034 1.00 0.00 C ATOM 0 H1 MET A 1 -16.419 8.165 3.718 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.110 9.236 3.871 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.828 7.573 3.679 1.00 0.00 H new ATOM 0 HA MET A 1 -15.900 9.010 6.029 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.388 7.100 5.570 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.008 6.023 5.489 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.119 5.846 7.663 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.486 6.454 7.852 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.426 8.320 10.707 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.691 6.659 10.126 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.035 7.288 10.298 1.00 0.00 H new ATOM 20 N ASP A 2 -13.493 8.905 6.706 1.00 0.00 N ATOM 21 CA ASP A 2 -12.095 8.847 7.108 1.00 0.00 C ATOM 22 C ASP A 2 -11.908 9.053 8.608 1.00 0.00 C ATOM 23 O ASP A 2 -12.213 10.111 9.165 1.00 0.00 O ATOM 24 CB ASP A 2 -11.258 9.870 6.319 1.00 0.00 C ATOM 25 CG ASP A 2 -11.703 11.307 6.532 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.764 11.691 5.996 1.00 0.00 O ATOM 27 OD2 ASP A 2 -10.988 12.061 7.224 1.00 0.00 O ATOM 0 H ASP A 2 -13.969 9.776 6.942 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.743 7.842 6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.212 9.774 6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.316 9.633 5.257 1.00 0.00 H new ATOM 32 N GLU A 3 -11.433 8.005 9.256 1.00 0.00 N ATOM 33 CA GLU A 3 -10.935 8.094 10.619 1.00 0.00 C ATOM 34 C GLU A 3 -9.462 7.723 10.603 1.00 0.00 C ATOM 35 O GLU A 3 -9.057 6.848 9.838 1.00 0.00 O ATOM 36 CB GLU A 3 -11.713 7.177 11.570 1.00 0.00 C ATOM 37 CG GLU A 3 -13.114 7.679 11.899 1.00 0.00 C ATOM 38 CD GLU A 3 -13.795 6.863 12.985 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.188 6.662 14.062 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.958 6.447 12.783 1.00 0.00 O ATOM 0 H GLU A 3 -11.381 7.069 8.854 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.070 9.111 10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.788 6.185 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.149 7.068 12.497 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.056 8.720 12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.725 7.654 10.996 1.00 0.00 H new ATOM 47 N LEU A 4 -8.667 8.393 11.423 1.00 0.00 N ATOM 48 CA LEU A 4 -7.215 8.211 11.405 1.00 0.00 C ATOM 49 C LEU A 4 -6.838 6.739 11.566 1.00 0.00 C ATOM 50 O LEU A 4 -5.965 6.234 10.862 1.00 0.00 O ATOM 51 CB LEU A 4 -6.564 9.046 12.510 1.00 0.00 C ATOM 52 CG LEU A 4 -5.032 9.061 12.506 1.00 0.00 C ATOM 53 CD1 LEU A 4 -4.505 9.682 11.219 1.00 0.00 C ATOM 54 CD2 LEU A 4 -4.503 9.822 13.715 1.00 0.00 C ATOM 0 H LEU A 4 -8.998 9.069 12.111 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.846 8.549 10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.921 10.072 12.424 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.904 8.670 13.475 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.680 8.031 12.562 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.415 9.683 11.235 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.854 9.101 10.365 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.868 10.706 11.134 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.413 9.823 13.696 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.867 10.849 13.686 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.850 9.340 14.629 1.00 0.00 H new ATOM 66 N ARG A 5 -7.508 6.053 12.482 1.00 0.00 N ATOM 67 CA ARG A 5 -7.251 4.641 12.721 1.00 0.00 C ATOM 68 C ARG A 5 -7.660 3.779 11.531 1.00 0.00 C ATOM 69 O ARG A 5 -6.897 2.919 11.092 1.00 0.00 O ATOM 70 CB ARG A 5 -7.987 4.187 13.979 1.00 0.00 C ATOM 71 CG ARG A 5 -7.131 4.237 15.231 1.00 0.00 C ATOM 72 CD ARG A 5 -5.982 3.245 15.149 1.00 0.00 C ATOM 73 NE ARG A 5 -5.064 3.358 16.281 1.00 0.00 N ATOM 74 CZ ARG A 5 -3.990 2.584 16.439 1.00 0.00 C ATOM 75 NH1 ARG A 5 -3.758 1.599 15.582 1.00 0.00 N ATOM 76 NH2 ARG A 5 -3.170 2.784 17.463 1.00 0.00 N ATOM 0 H ARG A 5 -8.236 6.454 13.073 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.177 4.516 12.860 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.866 4.816 14.123 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.345 3.168 13.833 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -6.737 5.244 15.366 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.745 4.016 16.104 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.383 2.232 15.110 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.432 3.406 14.222 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.256 4.067 16.988 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.400 1.436 14.806 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.938 1.004 15.699 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.361 3.531 18.131 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.349 2.191 17.582 1.00 0.00 H new ATOM 90 N GLU A 6 -8.848 4.029 10.993 1.00 0.00 N ATOM 91 CA GLU A 6 -9.361 3.241 9.878 1.00 0.00 C ATOM 92 C GLU A 6 -8.543 3.479 8.616 1.00 0.00 C ATOM 93 O GLU A 6 -8.314 2.557 7.833 1.00 0.00 O ATOM 94 CB GLU A 6 -10.833 3.565 9.617 1.00 0.00 C ATOM 95 CG GLU A 6 -11.772 3.071 10.706 1.00 0.00 C ATOM 96 CD GLU A 6 -11.682 1.572 10.918 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.121 0.808 10.029 1.00 0.00 O ATOM 98 OE2 GLU A 6 -11.163 1.145 11.967 1.00 0.00 O ATOM 0 H GLU A 6 -9.473 4.770 11.310 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.276 2.189 10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.945 4.644 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.130 3.123 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.539 3.581 11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.796 3.336 10.445 1.00 0.00 H new ATOM 105 N LEU A 7 -8.106 4.714 8.424 1.00 0.00 N ATOM 106 CA LEU A 7 -7.315 5.072 7.256 1.00 0.00 C ATOM 107 C LEU A 7 -5.926 4.448 7.339 1.00 0.00 C ATOM 108 O LEU A 7 -5.420 3.897 6.362 1.00 0.00 O ATOM 109 CB LEU A 7 -7.207 6.594 7.137 1.00 0.00 C ATOM 110 CG LEU A 7 -6.686 7.106 5.795 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.657 6.741 4.679 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.469 8.610 5.847 1.00 0.00 C ATOM 0 H LEU A 7 -8.286 5.488 9.064 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.814 4.685 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.191 7.027 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.550 6.959 7.927 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.727 6.630 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.274 7.111 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.764 5.657 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.628 7.193 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.098 8.958 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.413 9.106 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.740 8.846 6.623 1.00 0.00 H new ATOM 124 N LEU A 8 -5.330 4.515 8.525 1.00 0.00 N ATOM 125 CA LEU A 8 -3.990 3.986 8.748 1.00 0.00 C ATOM 126 C LEU A 8 -3.974 2.475 8.546 1.00 0.00 C ATOM 127 O LEU A 8 -2.965 1.897 8.135 1.00 0.00 O ATOM 128 CB LEU A 8 -3.531 4.320 10.165 1.00 0.00 C ATOM 129 CG LEU A 8 -2.023 4.214 10.405 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.268 5.158 9.481 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.688 4.514 11.858 1.00 0.00 C ATOM 0 H LEU A 8 -5.758 4.933 9.351 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.310 4.444 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.850 5.335 10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.041 3.654 10.861 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.713 3.192 10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.197 5.069 9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.480 4.899 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.585 6.184 9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.611 4.433 12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.014 5.524 12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.198 3.800 12.504 1.00 0.00 H new ATOM 143 N LYS A 9 -5.109 1.854 8.834 1.00 0.00 N ATOM 144 CA LYS A 9 -5.280 0.412 8.662 1.00 0.00 C ATOM 145 C LYS A 9 -4.973 -0.021 7.232 1.00 0.00 C ATOM 146 O LYS A 9 -4.429 -1.099 7.017 1.00 0.00 O ATOM 147 CB LYS A 9 -6.704 -0.008 9.026 1.00 0.00 C ATOM 148 CG LYS A 9 -6.960 -0.106 10.521 1.00 0.00 C ATOM 149 CD LYS A 9 -8.448 -0.216 10.823 1.00 0.00 C ATOM 150 CE LYS A 9 -9.097 -1.375 10.084 1.00 0.00 C ATOM 151 NZ LYS A 9 -10.564 -1.427 10.321 1.00 0.00 N ATOM 0 H LYS A 9 -5.937 2.330 9.192 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.574 -0.080 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.404 0.708 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.914 -0.975 8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.440 -0.975 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.550 0.772 11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.591 -0.345 11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.944 0.714 10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.904 -1.279 9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.643 -2.312 10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.950 -2.303 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.751 -1.407 11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.018 -0.607 9.870 1.00 0.00 H new ATOM 165 N ALA A 10 -5.317 0.820 6.265 1.00 0.00 N ATOM 166 CA ALA A 10 -5.075 0.500 4.864 1.00 0.00 C ATOM 167 C ALA A 10 -3.579 0.390 4.588 1.00 0.00 C ATOM 168 O ALA A 10 -3.122 -0.567 3.960 1.00 0.00 O ATOM 169 CB ALA A 10 -5.712 1.545 3.959 1.00 0.00 C ATOM 0 H ALA A 10 -5.762 1.724 6.424 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.534 -0.465 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.521 1.289 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.787 1.571 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.285 2.524 4.177 1.00 0.00 H new ATOM 175 N GLU A 11 -2.816 1.354 5.092 1.00 0.00 N ATOM 176 CA GLU A 11 -1.372 1.347 4.914 1.00 0.00 C ATOM 177 C GLU A 11 -0.750 0.194 5.693 1.00 0.00 C ATOM 178 O GLU A 11 0.118 -0.516 5.184 1.00 0.00 O ATOM 179 CB GLU A 11 -0.756 2.673 5.369 1.00 0.00 C ATOM 180 CG GLU A 11 -1.307 3.898 4.651 1.00 0.00 C ATOM 181 CD GLU A 11 -1.215 3.797 3.140 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.098 3.895 2.587 1.00 0.00 O ATOM 183 OE2 GLU A 11 -2.254 3.630 2.490 1.00 0.00 O ATOM 0 H GLU A 11 -3.174 2.147 5.625 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.164 1.217 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.922 2.789 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.322 2.631 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.349 4.040 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.762 4.782 4.983 1.00 0.00 H new ATOM 190 N GLN A 12 -1.211 0.005 6.927 1.00 0.00 N ATOM 191 CA GLN A 12 -0.698 -1.059 7.782 1.00 0.00 C ATOM 192 C GLN A 12 -0.969 -2.427 7.175 1.00 0.00 C ATOM 193 O GLN A 12 -0.127 -3.317 7.248 1.00 0.00 O ATOM 194 CB GLN A 12 -1.317 -0.997 9.179 1.00 0.00 C ATOM 195 CG GLN A 12 -1.026 0.287 9.941 1.00 0.00 C ATOM 196 CD GLN A 12 -1.543 0.235 11.365 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.517 -0.454 11.660 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.901 0.967 12.259 1.00 0.00 N ATOM 0 H GLN A 12 -1.939 0.576 7.356 1.00 0.00 H new ATOM 0 HA GLN A 12 0.379 -0.910 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.397 -1.115 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.951 -1.842 9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.049 0.465 9.953 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.483 1.128 9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.096 1.527 11.977 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.210 0.972 13.231 1.00 0.00 H new ATOM 207 N GLN A 13 -2.145 -2.588 6.578 1.00 0.00 N ATOM 208 CA GLN A 13 -2.527 -3.858 5.976 1.00 0.00 C ATOM 209 C GLN A 13 -1.556 -4.226 4.862 1.00 0.00 C ATOM 210 O GLN A 13 -1.084 -5.362 4.781 1.00 0.00 O ATOM 211 CB GLN A 13 -3.953 -3.779 5.422 1.00 0.00 C ATOM 212 CG GLN A 13 -4.508 -5.112 4.941 1.00 0.00 C ATOM 213 CD GLN A 13 -4.646 -6.131 6.058 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.856 -5.779 7.219 1.00 0.00 O ATOM 215 NE2 GLN A 13 -4.536 -7.404 5.715 1.00 0.00 N ATOM 0 H GLN A 13 -2.849 -1.854 6.499 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.492 -4.630 6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.610 -3.382 6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.971 -3.070 4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.483 -4.950 4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.854 -5.514 4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.362 -7.657 4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.625 -8.133 6.423 1.00 0.00 H new ATOM 224 N GLY A 14 -1.233 -3.244 4.036 1.00 0.00 N ATOM 225 CA GLY A 14 -0.302 -3.460 2.947 1.00 0.00 C ATOM 226 C GLY A 14 1.098 -3.747 3.447 1.00 0.00 C ATOM 227 O GLY A 14 1.739 -4.685 2.986 1.00 0.00 O ATOM 0 H GLY A 14 -1.601 -2.295 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.647 -4.294 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.284 -2.579 2.305 1.00 0.00 H new ATOM 231 N ILE A 15 1.563 -2.945 4.404 1.00 0.00 N ATOM 232 CA ILE A 15 2.879 -3.144 5.002 1.00 0.00 C ATOM 233 C ILE A 15 2.975 -4.530 5.637 1.00 0.00 C ATOM 234 O ILE A 15 3.974 -5.230 5.475 1.00 0.00 O ATOM 235 CB ILE A 15 3.195 -2.067 6.068 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.248 -0.682 5.419 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.510 -2.377 6.778 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.480 0.444 6.403 1.00 0.00 C ATOM 0 H ILE A 15 1.046 -2.151 4.781 1.00 0.00 H new ATOM 0 HA ILE A 15 3.612 -3.057 4.200 1.00 0.00 H new ATOM 0 HB ILE A 15 2.399 -2.074 6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.043 -0.670 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.312 -0.503 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.712 -1.607 7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.438 -3.347 7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.321 -2.398 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.505 1.394 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.672 0.460 7.135 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.430 0.290 6.915 1.00 0.00 H new ATOM 250 N LYS A 16 1.921 -4.922 6.344 1.00 0.00 N ATOM 251 CA LYS A 16 1.854 -6.236 6.972 1.00 0.00 C ATOM 252 C LYS A 16 1.978 -7.324 5.913 1.00 0.00 C ATOM 253 O LYS A 16 2.744 -8.278 6.067 1.00 0.00 O ATOM 254 CB LYS A 16 0.530 -6.384 7.722 1.00 0.00 C ATOM 255 CG LYS A 16 0.504 -7.530 8.719 1.00 0.00 C ATOM 256 CD LYS A 16 -0.828 -7.589 9.446 1.00 0.00 C ATOM 257 CE LYS A 16 -0.778 -8.539 10.630 1.00 0.00 C ATOM 258 NZ LYS A 16 -2.061 -8.554 11.383 1.00 0.00 N ATOM 0 H LYS A 16 1.095 -4.343 6.497 1.00 0.00 H new ATOM 0 HA LYS A 16 2.677 -6.337 7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.318 -5.454 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.271 -6.529 6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.681 -8.472 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.311 -7.407 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.099 -6.591 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.607 -7.910 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.551 -9.546 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.032 -8.245 11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.986 -9.214 12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.265 -7.599 11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.830 -8.859 10.753 1.00 0.00 H new ATOM 272 N ILE A 17 1.225 -7.156 4.832 1.00 0.00 N ATOM 273 CA ILE A 17 1.289 -8.059 3.691 1.00 0.00 C ATOM 274 C ILE A 17 2.697 -8.088 3.108 1.00 0.00 C ATOM 275 O ILE A 17 3.248 -9.155 2.885 1.00 0.00 O ATOM 276 CB ILE A 17 0.270 -7.653 2.597 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.156 -7.881 3.097 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.513 -8.429 1.311 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.217 -7.430 2.120 1.00 0.00 C ATOM 0 H ILE A 17 0.556 -6.394 4.723 1.00 0.00 H new ATOM 0 HA ILE A 17 1.032 -9.058 4.044 1.00 0.00 H new ATOM 0 HB ILE A 17 0.403 -6.593 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.294 -8.942 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.291 -7.350 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.216 -8.125 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.519 -8.222 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.410 -9.497 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.204 -7.622 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.105 -6.363 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.108 -7.979 1.185 1.00 0.00 H new ATOM 291 N LEU A 18 3.282 -6.913 2.893 1.00 0.00 N ATOM 292 CA LEU A 18 4.630 -6.807 2.334 1.00 0.00 C ATOM 293 C LEU A 18 5.646 -7.547 3.200 1.00 0.00 C ATOM 294 O LEU A 18 6.503 -8.265 2.688 1.00 0.00 O ATOM 295 CB LEU A 18 5.038 -5.337 2.187 1.00 0.00 C ATOM 296 CG LEU A 18 4.215 -4.529 1.180 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.615 -3.064 1.218 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.383 -5.093 -0.224 1.00 0.00 C ATOM 0 H LEU A 18 2.843 -6.016 3.098 1.00 0.00 H new ATOM 0 HA LEU A 18 4.618 -7.271 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.962 -4.856 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.086 -5.295 1.892 1.00 0.00 H new ATOM 0 HG LEU A 18 3.163 -4.605 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.020 -2.505 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.441 -2.665 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.672 -2.969 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.791 -4.506 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.434 -5.049 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.045 -6.129 -0.243 1.00 0.00 H new ATOM 310 N LYS A 19 5.539 -7.375 4.510 1.00 0.00 N ATOM 311 CA LYS A 19 6.406 -8.055 5.448 1.00 0.00 C ATOM 312 C LYS A 19 6.243 -9.569 5.338 1.00 0.00 C ATOM 313 O LYS A 19 7.227 -10.310 5.285 1.00 0.00 O ATOM 314 CB LYS A 19 6.079 -7.588 6.857 1.00 0.00 C ATOM 315 CG LYS A 19 6.538 -6.171 7.151 1.00 0.00 C ATOM 316 CD LYS A 19 7.850 -6.136 7.921 1.00 0.00 C ATOM 317 CE LYS A 19 9.018 -6.635 7.088 1.00 0.00 C ATOM 318 NZ LYS A 19 10.294 -6.591 7.848 1.00 0.00 N ATOM 0 H LYS A 19 4.850 -6.762 4.946 1.00 0.00 H new ATOM 0 HA LYS A 19 7.443 -7.813 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.002 -7.651 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.543 -8.267 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.655 -5.628 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.769 -5.654 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.050 -5.116 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.759 -6.747 8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.823 -7.657 6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.109 -6.027 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.068 -6.939 7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.493 -5.612 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.215 -7.192 8.693 1.00 0.00 H new ATOM 332 N GLU A 20 4.993 -10.013 5.293 1.00 0.00 N ATOM 333 CA GLU A 20 4.676 -11.419 5.149 1.00 0.00 C ATOM 334 C GLU A 20 5.157 -11.944 3.797 1.00 0.00 C ATOM 335 O GLU A 20 5.758 -13.006 3.720 1.00 0.00 O ATOM 336 CB GLU A 20 3.169 -11.597 5.293 1.00 0.00 C ATOM 337 CG GLU A 20 2.766 -12.594 6.360 1.00 0.00 C ATOM 338 CD GLU A 20 3.093 -14.028 5.995 1.00 0.00 C ATOM 339 OE1 GLU A 20 2.242 -14.694 5.365 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.192 -14.501 6.350 1.00 0.00 O ATOM 0 H GLU A 20 4.176 -9.406 5.356 1.00 0.00 H new ATOM 0 HA GLU A 20 5.186 -11.991 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.720 -10.631 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.758 -11.919 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.269 -12.340 7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.695 -12.508 6.542 1.00 0.00 H new ATOM 347 N VAL A 21 4.906 -11.174 2.743 1.00 0.00 N ATOM 348 CA VAL A 21 5.301 -11.543 1.386 1.00 0.00 C ATOM 349 C VAL A 21 6.812 -11.715 1.272 1.00 0.00 C ATOM 350 O VAL A 21 7.288 -12.667 0.651 1.00 0.00 O ATOM 351 CB VAL A 21 4.821 -10.486 0.361 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.498 -10.670 -0.989 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.311 -10.552 0.199 1.00 0.00 C ATOM 0 H VAL A 21 4.424 -10.277 2.804 1.00 0.00 H new ATOM 0 HA VAL A 21 4.825 -12.498 1.163 1.00 0.00 H new ATOM 0 HB VAL A 21 5.097 -9.504 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.137 -9.911 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.577 -10.571 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.265 -11.660 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.990 -9.803 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.026 -11.543 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.833 -10.357 1.159 1.00 0.00 H new ATOM 363 N LEU A 22 7.555 -10.805 1.882 1.00 0.00 N ATOM 364 CA LEU A 22 9.012 -10.849 1.836 1.00 0.00 C ATOM 365 C LEU A 22 9.526 -12.161 2.423 1.00 0.00 C ATOM 366 O LEU A 22 10.428 -12.790 1.874 1.00 0.00 O ATOM 367 CB LEU A 22 9.597 -9.659 2.607 1.00 0.00 C ATOM 368 CG LEU A 22 11.107 -9.466 2.471 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.466 -9.105 1.039 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.591 -8.394 3.433 1.00 0.00 C ATOM 0 H LEU A 22 7.174 -10.024 2.417 1.00 0.00 H new ATOM 0 HA LEU A 22 9.330 -10.788 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.100 -8.750 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.357 -9.779 3.663 1.00 0.00 H new ATOM 0 HG LEU A 22 11.604 -10.403 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.545 -8.971 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.148 -9.906 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.963 -8.179 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.668 -8.268 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.091 -7.452 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.362 -8.693 4.456 1.00 0.00 H new ATOM 382 N LYS A 23 8.938 -12.561 3.542 1.00 0.00 N ATOM 383 CA LYS A 23 9.278 -13.826 4.181 1.00 0.00 C ATOM 384 C LYS A 23 8.743 -14.983 3.352 1.00 0.00 C ATOM 385 O LYS A 23 9.440 -15.957 3.080 1.00 0.00 O ATOM 386 CB LYS A 23 8.669 -13.873 5.585 1.00 0.00 C ATOM 387 CG LYS A 23 9.345 -14.862 6.529 1.00 0.00 C ATOM 388 CD LYS A 23 9.030 -16.304 6.162 1.00 0.00 C ATOM 389 CE LYS A 23 9.775 -17.284 7.046 1.00 0.00 C ATOM 390 NZ LYS A 23 9.481 -18.695 6.678 1.00 0.00 N ATOM 0 H LYS A 23 8.219 -12.025 4.029 1.00 0.00 H new ATOM 0 HA LYS A 23 10.362 -13.910 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.720 -12.877 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.613 -14.131 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.424 -14.708 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.020 -14.668 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.957 -16.476 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.295 -16.480 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.847 -17.103 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.500 -17.115 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.869 -19.331 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.452 -18.830 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.916 -18.912 5.759 1.00 0.00 H new ATOM 404 N LYS A 24 7.493 -14.849 2.958 1.00 0.00 N ATOM 405 CA LYS A 24 6.772 -15.900 2.249 1.00 0.00 C ATOM 406 C LYS A 24 7.476 -16.300 0.951 1.00 0.00 C ATOM 407 O LYS A 24 7.511 -17.483 0.603 1.00 0.00 O ATOM 408 CB LYS A 24 5.342 -15.433 1.949 1.00 0.00 C ATOM 409 CG LYS A 24 4.422 -16.521 1.417 1.00 0.00 C ATOM 410 CD LYS A 24 3.766 -17.329 2.531 1.00 0.00 C ATOM 411 CE LYS A 24 4.780 -18.117 3.346 1.00 0.00 C ATOM 412 NZ LYS A 24 5.619 -18.992 2.485 1.00 0.00 N ATOM 0 H LYS A 24 6.941 -14.006 3.119 1.00 0.00 H new ATOM 0 HA LYS A 24 6.746 -16.780 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.909 -15.022 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.383 -14.622 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.648 -16.067 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.992 -17.192 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.217 -16.656 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.038 -18.016 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.420 -17.427 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.259 -18.726 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.215 -19.599 3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.006 -19.586 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.224 -18.404 1.877 1.00 0.00 H new ATOM 426 N ALA A 25 8.050 -15.322 0.259 1.00 0.00 N ATOM 427 CA ALA A 25 8.741 -15.563 -1.009 1.00 0.00 C ATOM 428 C ALA A 25 9.975 -16.438 -0.818 1.00 0.00 C ATOM 429 O ALA A 25 10.408 -17.134 -1.740 1.00 0.00 O ATOM 430 CB ALA A 25 9.133 -14.241 -1.649 1.00 0.00 C ATOM 0 H ALA A 25 8.052 -14.346 0.555 1.00 0.00 H new ATOM 0 HA ALA A 25 8.054 -16.094 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.646 -14.431 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.238 -13.648 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.796 -13.695 -0.978 1.00 0.00 H new ATOM 436 N LYS A 26 10.524 -16.399 0.382 1.00 0.00 N ATOM 437 CA LYS A 26 11.717 -17.163 0.727 1.00 0.00 C ATOM 438 C LYS A 26 11.466 -18.667 0.618 1.00 0.00 C ATOM 439 O LYS A 26 12.391 -19.445 0.396 1.00 0.00 O ATOM 440 CB LYS A 26 12.153 -16.809 2.148 1.00 0.00 C ATOM 441 CG LYS A 26 13.549 -16.220 2.240 1.00 0.00 C ATOM 442 CD LYS A 26 14.611 -17.293 2.100 1.00 0.00 C ATOM 443 CE LYS A 26 16.003 -16.725 2.321 1.00 0.00 C ATOM 444 NZ LYS A 26 17.019 -17.799 2.449 1.00 0.00 N ATOM 0 H LYS A 26 10.157 -15.836 1.150 1.00 0.00 H new ATOM 0 HA LYS A 26 12.507 -16.904 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.442 -16.098 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.108 -17.707 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.682 -15.470 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.668 -15.710 3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.423 -18.090 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.551 -17.739 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.266 -16.072 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.007 -16.111 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.956 -17.374 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.781 -18.407 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.032 -18.370 1.580 1.00 0.00 H new ATOM 458 N GLU A 27 10.214 -19.071 0.810 1.00 0.00 N ATOM 459 CA GLU A 27 9.850 -20.484 0.821 1.00 0.00 C ATOM 460 C GLU A 27 9.910 -21.135 -0.561 1.00 0.00 C ATOM 461 O GLU A 27 10.900 -21.775 -0.912 1.00 0.00 O ATOM 462 CB GLU A 27 8.448 -20.675 1.391 1.00 0.00 C ATOM 463 CG GLU A 27 8.423 -21.061 2.862 1.00 0.00 C ATOM 464 CD GLU A 27 8.689 -19.895 3.790 1.00 0.00 C ATOM 465 OE1 GLU A 27 9.866 -19.635 4.116 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.709 -19.248 4.219 1.00 0.00 O ATOM 0 H GLU A 27 9.430 -18.436 0.961 1.00 0.00 H new ATOM 0 HA GLU A 27 10.591 -20.974 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.885 -19.751 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.935 -21.446 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.451 -21.493 3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.168 -21.836 3.040 1.00 0.00 H new ATOM 473 N GLY A 28 8.845 -20.966 -1.338 1.00 0.00 N ATOM 474 CA GLY A 28 8.667 -21.775 -2.532 1.00 0.00 C ATOM 475 C GLY A 28 9.170 -21.121 -3.798 1.00 0.00 C ATOM 476 O GLY A 28 9.620 -21.816 -4.710 1.00 0.00 O ATOM 0 H GLY A 28 8.104 -20.287 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.184 -22.725 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.608 -22.003 -2.649 1.00 0.00 H new ATOM 480 N ASP A 29 9.097 -19.790 -3.843 1.00 0.00 N ATOM 481 CA ASP A 29 9.493 -19.007 -5.031 1.00 0.00 C ATOM 482 C ASP A 29 8.532 -19.222 -6.213 1.00 0.00 C ATOM 483 O ASP A 29 7.929 -20.285 -6.354 1.00 0.00 O ATOM 484 CB ASP A 29 10.936 -19.338 -5.446 1.00 0.00 C ATOM 485 CG ASP A 29 11.365 -18.635 -6.723 1.00 0.00 C ATOM 486 OD1 ASP A 29 11.252 -17.392 -6.780 1.00 0.00 O ATOM 487 OD2 ASP A 29 11.826 -19.319 -7.667 1.00 0.00 O ATOM 0 H ASP A 29 8.765 -19.220 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 29 9.439 -17.954 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.613 -19.058 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.031 -20.415 -5.582 1.00 0.00 H new ATOM 492 N GLU A 30 8.396 -18.179 -7.042 1.00 0.00 N ATOM 493 CA GLU A 30 7.529 -18.178 -8.234 1.00 0.00 C ATOM 494 C GLU A 30 6.064 -18.472 -7.910 1.00 0.00 C ATOM 495 O GLU A 30 5.235 -17.564 -7.890 1.00 0.00 O ATOM 496 CB GLU A 30 8.031 -19.161 -9.296 1.00 0.00 C ATOM 497 CG GLU A 30 9.352 -18.760 -9.927 1.00 0.00 C ATOM 498 CD GLU A 30 9.661 -19.554 -11.180 1.00 0.00 C ATOM 499 OE1 GLU A 30 10.023 -20.744 -11.063 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.538 -18.992 -12.288 1.00 0.00 O ATOM 0 H GLU A 30 8.891 -17.298 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 30 7.580 -17.164 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.140 -20.146 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.278 -19.251 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.327 -17.698 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.155 -18.902 -9.203 1.00 0.00 H new ATOM 507 N GLN A 31 5.756 -19.737 -7.660 1.00 0.00 N ATOM 508 CA GLN A 31 4.393 -20.174 -7.381 1.00 0.00 C ATOM 509 C GLN A 31 3.829 -19.440 -6.174 1.00 0.00 C ATOM 510 O GLN A 31 2.661 -19.050 -6.152 1.00 0.00 O ATOM 511 CB GLN A 31 4.381 -21.679 -7.133 1.00 0.00 C ATOM 512 CG GLN A 31 4.907 -22.484 -8.307 1.00 0.00 C ATOM 513 CD GLN A 31 5.007 -23.963 -8.006 1.00 0.00 C ATOM 514 OE1 GLN A 31 5.234 -24.363 -6.863 1.00 0.00 O ATOM 515 NE2 GLN A 31 4.846 -24.783 -9.028 1.00 0.00 N ATOM 0 H GLN A 31 6.443 -20.490 -7.645 1.00 0.00 H new ATOM 0 HA GLN A 31 3.767 -19.944 -8.243 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.982 -21.900 -6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.362 -21.996 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.252 -22.336 -9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.891 -22.108 -8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.659 -24.408 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.908 -25.791 -8.887 1.00 0.00 H new ATOM 524 N GLU A 32 4.675 -19.256 -5.175 1.00 0.00 N ATOM 525 CA GLU A 32 4.306 -18.518 -3.977 1.00 0.00 C ATOM 526 C GLU A 32 4.066 -17.046 -4.318 1.00 0.00 C ATOM 527 O GLU A 32 3.145 -16.413 -3.799 1.00 0.00 O ATOM 528 CB GLU A 32 5.419 -18.641 -2.933 1.00 0.00 C ATOM 529 CG GLU A 32 5.015 -18.176 -1.546 1.00 0.00 C ATOM 530 CD GLU A 32 4.135 -19.176 -0.823 1.00 0.00 C ATOM 531 OE1 GLU A 32 2.939 -19.280 -1.160 1.00 0.00 O ATOM 532 OE2 GLU A 32 4.635 -19.848 0.105 1.00 0.00 O ATOM 0 H GLU A 32 5.631 -19.611 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 32 3.386 -18.936 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.739 -19.682 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.280 -18.060 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.912 -17.993 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.487 -17.226 -1.626 1.00 0.00 H new ATOM 539 N LEU A 33 4.894 -16.517 -5.217 1.00 0.00 N ATOM 540 CA LEU A 33 4.834 -15.110 -5.601 1.00 0.00 C ATOM 541 C LEU A 33 3.497 -14.770 -6.245 1.00 0.00 C ATOM 542 O LEU A 33 2.969 -13.683 -6.039 1.00 0.00 O ATOM 543 CB LEU A 33 5.973 -14.766 -6.567 1.00 0.00 C ATOM 544 CG LEU A 33 7.381 -15.047 -6.038 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.430 -14.633 -7.062 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.605 -14.330 -4.718 1.00 0.00 C ATOM 0 H LEU A 33 5.621 -17.049 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 33 4.942 -14.517 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.829 -15.329 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.903 -13.709 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 33 7.478 -16.119 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.425 -14.840 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.280 -15.195 -7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.336 -13.567 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.611 -14.541 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.489 -13.256 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.876 -14.678 -3.986 1.00 0.00 H new ATOM 558 N ALA A 34 2.962 -15.703 -7.028 1.00 0.00 N ATOM 559 CA ALA A 34 1.679 -15.503 -7.696 1.00 0.00 C ATOM 560 C ALA A 34 0.578 -15.179 -6.688 1.00 0.00 C ATOM 561 O ALA A 34 -0.192 -14.236 -6.875 1.00 0.00 O ATOM 562 CB ALA A 34 1.313 -16.738 -8.502 1.00 0.00 C ATOM 0 H ALA A 34 3.398 -16.606 -7.216 1.00 0.00 H new ATOM 0 HA ALA A 34 1.775 -14.653 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.355 -16.579 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.082 -16.924 -9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.240 -17.598 -7.837 1.00 0.00 H new ATOM 568 N ARG A 35 0.528 -15.956 -5.613 1.00 0.00 N ATOM 569 CA ARG A 35 -0.439 -15.731 -4.542 1.00 0.00 C ATOM 570 C ARG A 35 -0.214 -14.367 -3.898 1.00 0.00 C ATOM 571 O ARG A 35 -1.136 -13.562 -3.753 1.00 0.00 O ATOM 572 CB ARG A 35 -0.295 -16.820 -3.474 1.00 0.00 C ATOM 573 CG ARG A 35 -1.124 -16.556 -2.226 1.00 0.00 C ATOM 574 CD ARG A 35 -0.836 -17.566 -1.128 1.00 0.00 C ATOM 575 NE ARG A 35 -1.307 -17.090 0.173 1.00 0.00 N ATOM 576 CZ ARG A 35 -1.579 -17.881 1.208 1.00 0.00 C ATOM 577 NH1 ARG A 35 -1.487 -19.197 1.085 1.00 0.00 N ATOM 578 NH2 ARG A 35 -1.962 -17.356 2.367 1.00 0.00 N ATOM 0 H ARG A 35 1.148 -16.751 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.441 -15.764 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.590 -17.778 -3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.755 -16.906 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.916 -15.551 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.183 -16.589 -2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.319 -18.513 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.236 -17.758 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.435 -16.085 0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.207 -19.608 0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.696 -19.799 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.048 -16.344 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.170 -17.965 3.159 1.00 0.00 H new ATOM 592 N LEU A 36 1.032 -14.127 -3.527 1.00 0.00 N ATOM 593 CA LEU A 36 1.424 -12.913 -2.821 1.00 0.00 C ATOM 594 C LEU A 36 1.139 -11.666 -3.651 1.00 0.00 C ATOM 595 O LEU A 36 0.635 -10.670 -3.133 1.00 0.00 O ATOM 596 CB LEU A 36 2.907 -12.982 -2.471 1.00 0.00 C ATOM 597 CG LEU A 36 3.307 -14.186 -1.620 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.814 -14.227 -1.422 1.00 0.00 C ATOM 599 CD2 LEU A 36 2.589 -14.142 -0.280 1.00 0.00 C ATOM 0 H LEU A 36 1.805 -14.769 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 36 0.833 -12.844 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.484 -13.000 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.184 -12.071 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 36 3.011 -15.095 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.078 -15.092 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.306 -14.302 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.140 -13.317 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.882 -15.005 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.858 -13.227 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.512 -14.163 -0.444 1.00 0.00 H new ATOM 611 N ASN A 37 1.454 -11.738 -4.942 1.00 0.00 N ATOM 612 CA ASN A 37 1.274 -10.610 -5.853 1.00 0.00 C ATOM 613 C ASN A 37 -0.170 -10.130 -5.835 1.00 0.00 C ATOM 614 O ASN A 37 -0.435 -8.938 -5.689 1.00 0.00 O ATOM 615 CB ASN A 37 1.667 -11.014 -7.278 1.00 0.00 C ATOM 616 CG ASN A 37 1.601 -9.860 -8.259 1.00 0.00 C ATOM 617 OD1 ASN A 37 0.553 -9.571 -8.829 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.731 -9.208 -8.486 1.00 0.00 N ATOM 0 H ASN A 37 1.838 -12.573 -5.384 1.00 0.00 H new ATOM 0 HA ASN A 37 1.918 -9.796 -5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.679 -11.419 -7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.007 -11.812 -7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.750 -8.437 -9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.583 -9.477 -7.993 1.00 0.00 H new ATOM 625 N GLN A 38 -1.092 -11.077 -5.956 1.00 0.00 N ATOM 626 CA GLN A 38 -2.508 -10.780 -5.978 1.00 0.00 C ATOM 627 C GLN A 38 -2.947 -10.079 -4.695 1.00 0.00 C ATOM 628 O GLN A 38 -3.657 -9.077 -4.737 1.00 0.00 O ATOM 629 CB GLN A 38 -3.261 -12.087 -6.150 1.00 0.00 C ATOM 630 CG GLN A 38 -4.443 -12.003 -7.087 1.00 0.00 C ATOM 631 CD GLN A 38 -5.654 -11.334 -6.464 1.00 0.00 C ATOM 632 OE1 GLN A 38 -5.836 -10.123 -6.566 1.00 0.00 O ATOM 633 NE2 GLN A 38 -6.492 -12.123 -5.810 1.00 0.00 N ATOM 0 H GLN A 38 -0.874 -12.070 -6.041 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.725 -10.104 -6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.571 -12.845 -6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.609 -12.424 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.151 -11.452 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.716 -13.008 -7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.306 -13.124 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.323 -11.730 -5.369 1.00 0.00 H new ATOM 642 N GLU A 39 -2.504 -10.598 -3.554 1.00 0.00 N ATOM 643 CA GLU A 39 -2.911 -10.061 -2.262 1.00 0.00 C ATOM 644 C GLU A 39 -2.374 -8.644 -2.066 1.00 0.00 C ATOM 645 O GLU A 39 -3.041 -7.795 -1.471 1.00 0.00 O ATOM 646 CB GLU A 39 -2.444 -10.979 -1.130 1.00 0.00 C ATOM 647 CG GLU A 39 -3.100 -10.674 0.208 1.00 0.00 C ATOM 648 CD GLU A 39 -2.789 -11.713 1.264 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.418 -12.795 1.245 1.00 0.00 O ATOM 650 OE2 GLU A 39 -1.916 -11.459 2.117 1.00 0.00 O ATOM 0 H GLU A 39 -1.863 -11.390 -3.499 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.000 -10.013 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.654 -12.013 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.363 -10.891 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.766 -9.697 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.180 -10.612 0.072 1.00 0.00 H new ATOM 657 N ILE A 40 -1.181 -8.386 -2.587 1.00 0.00 N ATOM 658 CA ILE A 40 -0.600 -7.052 -2.527 1.00 0.00 C ATOM 659 C ILE A 40 -1.445 -6.072 -3.334 1.00 0.00 C ATOM 660 O ILE A 40 -1.805 -4.998 -2.850 1.00 0.00 O ATOM 661 CB ILE A 40 0.852 -7.028 -3.053 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.739 -7.949 -2.212 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.403 -5.606 -3.043 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.158 -8.069 -2.727 1.00 0.00 C ATOM 0 H ILE A 40 -0.599 -9.081 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.585 -6.755 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 40 0.851 -7.389 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.764 -7.577 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.289 -8.941 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.427 -5.610 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.786 -4.972 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.390 -5.218 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.725 -8.738 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.145 -8.470 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.627 -7.085 -2.733 1.00 0.00 H new ATOM 676 N VAL A 41 -1.775 -6.456 -4.566 1.00 0.00 N ATOM 677 CA VAL A 41 -2.617 -5.631 -5.424 1.00 0.00 C ATOM 678 C VAL A 41 -3.993 -5.437 -4.792 1.00 0.00 C ATOM 679 O VAL A 41 -4.581 -4.357 -4.873 1.00 0.00 O ATOM 680 CB VAL A 41 -2.778 -6.250 -6.833 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.666 -5.382 -7.712 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.419 -6.449 -7.488 1.00 0.00 C ATOM 0 H VAL A 41 -1.471 -7.333 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.124 -4.665 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.257 -7.223 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.762 -5.840 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.652 -5.291 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.221 -4.392 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.553 -6.885 -8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.915 -5.487 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.814 -7.118 -6.875 1.00 0.00 H new ATOM 692 N LYS A 42 -4.487 -6.491 -4.151 1.00 0.00 N ATOM 693 CA LYS A 42 -5.769 -6.446 -3.461 1.00 0.00 C ATOM 694 C LYS A 42 -5.757 -5.363 -2.383 1.00 0.00 C ATOM 695 O LYS A 42 -6.689 -4.565 -2.287 1.00 0.00 O ATOM 696 CB LYS A 42 -6.074 -7.824 -2.848 1.00 0.00 C ATOM 697 CG LYS A 42 -7.503 -7.997 -2.336 1.00 0.00 C ATOM 698 CD LYS A 42 -7.732 -7.313 -0.994 1.00 0.00 C ATOM 699 CE LYS A 42 -9.187 -7.404 -0.567 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.611 -8.806 -0.312 1.00 0.00 N ATOM 0 H LYS A 42 -4.014 -7.393 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.553 -6.199 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.876 -8.591 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.384 -7.999 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.199 -7.591 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.724 -9.060 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.099 -7.775 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.436 -6.266 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.337 -6.811 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.819 -6.970 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.570 -8.811 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.607 -9.338 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.953 -9.251 0.359 1.00 0.00 H new ATOM 714 N ALA A 43 -4.687 -5.331 -1.591 1.00 0.00 N ATOM 715 CA ALA A 43 -4.557 -4.363 -0.503 1.00 0.00 C ATOM 716 C ALA A 43 -4.548 -2.935 -1.035 1.00 0.00 C ATOM 717 O ALA A 43 -5.259 -2.067 -0.526 1.00 0.00 O ATOM 718 CB ALA A 43 -3.290 -4.634 0.298 1.00 0.00 C ATOM 0 H ALA A 43 -3.895 -5.967 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.421 -4.475 0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.207 -3.906 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.334 -5.638 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.422 -4.552 -0.356 1.00 0.00 H new ATOM 724 N GLU A 44 -3.751 -2.709 -2.070 1.00 0.00 N ATOM 725 CA GLU A 44 -3.649 -1.394 -2.684 1.00 0.00 C ATOM 726 C GLU A 44 -4.998 -0.954 -3.243 1.00 0.00 C ATOM 727 O GLU A 44 -5.454 0.157 -2.978 1.00 0.00 O ATOM 728 CB GLU A 44 -2.603 -1.417 -3.794 1.00 0.00 C ATOM 729 CG GLU A 44 -1.217 -1.803 -3.310 1.00 0.00 C ATOM 730 CD GLU A 44 -0.584 -0.754 -2.418 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.908 -0.691 -1.227 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.267 0.017 -2.911 1.00 0.00 O ATOM 0 H GLU A 44 -3.164 -3.422 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.344 -0.678 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.919 -2.119 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.556 -0.432 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.278 -2.745 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.573 -1.975 -4.172 1.00 0.00 H new ATOM 739 N LYS A 45 -5.640 -1.845 -3.995 1.00 0.00 N ATOM 740 CA LYS A 45 -6.948 -1.565 -4.584 1.00 0.00 C ATOM 741 C LYS A 45 -7.972 -1.267 -3.490 1.00 0.00 C ATOM 742 O LYS A 45 -8.809 -0.372 -3.629 1.00 0.00 O ATOM 743 CB LYS A 45 -7.404 -2.769 -5.418 1.00 0.00 C ATOM 744 CG LYS A 45 -7.846 -2.421 -6.832 1.00 0.00 C ATOM 745 CD LYS A 45 -9.206 -1.745 -6.853 1.00 0.00 C ATOM 746 CE LYS A 45 -9.671 -1.499 -8.280 1.00 0.00 C ATOM 747 NZ LYS A 45 -11.074 -1.010 -8.342 1.00 0.00 N ATOM 0 H LYS A 45 -5.274 -2.772 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.867 -0.690 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.587 -3.489 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.229 -3.261 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.107 -1.764 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.883 -3.329 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.933 -2.367 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.154 -0.798 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.014 -0.770 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.585 -2.423 -8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.345 -0.857 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.707 -1.716 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.153 -0.114 -7.820 1.00 0.00 H new ATOM 761 N GLN A 46 -7.878 -2.021 -2.402 1.00 0.00 N ATOM 762 CA GLN A 46 -8.745 -1.848 -1.243 1.00 0.00 C ATOM 763 C GLN A 46 -8.555 -0.462 -0.638 1.00 0.00 C ATOM 764 O GLN A 46 -9.522 0.242 -0.341 1.00 0.00 O ATOM 765 CB GLN A 46 -8.411 -2.921 -0.207 1.00 0.00 C ATOM 766 CG GLN A 46 -9.304 -2.912 1.022 1.00 0.00 C ATOM 767 CD GLN A 46 -8.899 -3.968 2.035 1.00 0.00 C ATOM 768 OE1 GLN A 46 -8.382 -5.029 1.678 1.00 0.00 O ATOM 769 NE2 GLN A 46 -9.129 -3.689 3.307 1.00 0.00 N ATOM 0 H GLN A 46 -7.196 -2.772 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.785 -1.946 -1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.478 -3.900 -0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.376 -2.791 0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.265 -1.928 1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.338 -3.080 0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.559 -2.800 3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.877 -4.362 4.030 1.00 0.00 H new ATOM 778 N GLY A 47 -7.297 -0.080 -0.467 1.00 0.00 N ATOM 779 CA GLY A 47 -6.976 1.208 0.113 1.00 0.00 C ATOM 780 C GLY A 47 -7.408 2.374 -0.758 1.00 0.00 C ATOM 781 O GLY A 47 -8.028 3.317 -0.266 1.00 0.00 O ATOM 0 H GLY A 47 -6.487 -0.645 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.457 1.292 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.901 1.267 0.282 1.00 0.00 H new ATOM 785 N VAL A 48 -7.123 2.289 -2.056 1.00 0.00 N ATOM 786 CA VAL A 48 -7.412 3.384 -2.985 1.00 0.00 C ATOM 787 C VAL A 48 -8.889 3.771 -2.952 1.00 0.00 C ATOM 788 O VAL A 48 -9.230 4.954 -2.999 1.00 0.00 O ATOM 789 CB VAL A 48 -7.006 3.019 -4.433 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.453 4.093 -5.415 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.503 2.812 -4.533 1.00 0.00 C ATOM 0 H VAL A 48 -6.692 1.473 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.819 4.238 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.507 2.087 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.154 3.810 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.537 4.196 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.988 5.043 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.238 2.556 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.989 3.729 -4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.202 2.002 -3.868 1.00 0.00 H new ATOM 801 N LYS A 49 -9.763 2.778 -2.834 1.00 0.00 N ATOM 802 CA LYS A 49 -11.197 3.034 -2.803 1.00 0.00 C ATOM 803 C LYS A 49 -11.576 3.836 -1.558 1.00 0.00 C ATOM 804 O LYS A 49 -12.404 4.747 -1.619 1.00 0.00 O ATOM 805 CB LYS A 49 -11.975 1.718 -2.838 1.00 0.00 C ATOM 806 CG LYS A 49 -13.446 1.896 -3.171 1.00 0.00 C ATOM 807 CD LYS A 49 -14.170 0.564 -3.221 1.00 0.00 C ATOM 808 CE LYS A 49 -15.597 0.729 -3.717 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.316 -0.568 -3.773 1.00 0.00 N ATOM 0 H LYS A 49 -9.505 1.794 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.457 3.620 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.521 1.055 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.886 1.226 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.914 2.538 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.544 2.401 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.632 -0.120 -3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.178 0.114 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.133 1.413 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.587 1.182 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.285 -0.413 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.819 -1.213 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.348 -0.988 -2.822 1.00 0.00 H new ATOM 823 N VAL A 50 -10.949 3.502 -0.436 1.00 0.00 N ATOM 824 CA VAL A 50 -11.194 4.200 0.822 1.00 0.00 C ATOM 825 C VAL A 50 -10.693 5.641 0.745 1.00 0.00 C ATOM 826 O VAL A 50 -11.362 6.570 1.209 1.00 0.00 O ATOM 827 CB VAL A 50 -10.510 3.482 2.010 1.00 0.00 C ATOM 828 CG1 VAL A 50 -10.802 4.197 3.322 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.956 2.029 2.087 1.00 0.00 C ATOM 0 H VAL A 50 -10.264 2.749 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.271 4.199 0.988 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.433 3.507 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.309 3.672 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.428 5.220 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.878 4.213 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.464 1.541 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.037 1.987 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.687 1.517 1.163 1.00 0.00 H new ATOM 839 N TYR A 51 -9.522 5.820 0.143 1.00 0.00 N ATOM 840 CA TYR A 51 -8.942 7.148 -0.036 1.00 0.00 C ATOM 841 C TYR A 51 -9.763 7.979 -1.010 1.00 0.00 C ATOM 842 O TYR A 51 -9.874 9.190 -0.850 1.00 0.00 O ATOM 843 CB TYR A 51 -7.495 7.060 -0.520 1.00 0.00 C ATOM 844 CG TYR A 51 -6.512 6.666 0.560 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.904 7.629 1.356 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.192 5.336 0.785 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.005 7.271 2.343 1.00 0.00 C ATOM 848 CE2 TYR A 51 -5.296 4.972 1.769 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.706 5.942 2.544 1.00 0.00 C ATOM 850 OH TYR A 51 -3.813 5.579 3.521 1.00 0.00 O ATOM 0 H TYR A 51 -8.954 5.060 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.953 7.639 0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.437 6.336 -1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.200 8.025 -0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.137 8.672 1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.653 4.570 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.539 8.030 2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.059 3.931 1.930 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.424 4.707 3.301 1.00 0.00 H new ATOM 860 N LYS A 52 -10.331 7.328 -2.017 1.00 0.00 N ATOM 861 CA LYS A 52 -11.185 8.010 -2.986 1.00 0.00 C ATOM 862 C LYS A 52 -12.358 8.670 -2.262 1.00 0.00 C ATOM 863 O LYS A 52 -12.682 9.833 -2.508 1.00 0.00 O ATOM 864 CB LYS A 52 -11.683 7.007 -4.039 1.00 0.00 C ATOM 865 CG LYS A 52 -12.120 7.630 -5.363 1.00 0.00 C ATOM 866 CD LYS A 52 -13.488 8.294 -5.277 1.00 0.00 C ATOM 867 CE LYS A 52 -14.581 7.298 -4.920 1.00 0.00 C ATOM 868 NZ LYS A 52 -15.939 7.885 -5.080 1.00 0.00 N ATOM 0 H LYS A 52 -10.217 6.329 -2.186 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.613 8.785 -3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.890 6.286 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.522 6.450 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.381 8.369 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.143 6.859 -6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.460 9.086 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.724 8.765 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.490 6.416 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.448 6.966 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.609 7.385 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.915 8.892 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.244 7.789 -6.070 1.00 0.00 H new ATOM 882 N GLU A 53 -12.971 7.922 -1.349 1.00 0.00 N ATOM 883 CA GLU A 53 -14.050 8.432 -0.519 1.00 0.00 C ATOM 884 C GLU A 53 -13.566 9.591 0.352 1.00 0.00 C ATOM 885 O GLU A 53 -14.271 10.580 0.549 1.00 0.00 O ATOM 886 CB GLU A 53 -14.572 7.304 0.362 1.00 0.00 C ATOM 887 CG GLU A 53 -16.057 7.049 0.220 1.00 0.00 C ATOM 888 CD GLU A 53 -16.906 8.171 0.776 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.088 8.233 2.015 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.411 8.987 -0.021 1.00 0.00 O ATOM 0 H GLU A 53 -12.732 6.947 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.848 8.803 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.032 6.389 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.352 7.539 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.296 6.908 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.311 6.121 0.732 1.00 0.00 H new ATOM 897 N ALA A 54 -12.348 9.460 0.865 1.00 0.00 N ATOM 898 CA ALA A 54 -11.767 10.476 1.730 1.00 0.00 C ATOM 899 C ALA A 54 -11.446 11.748 0.954 1.00 0.00 C ATOM 900 O ALA A 54 -11.577 12.851 1.480 1.00 0.00 O ATOM 901 CB ALA A 54 -10.515 9.941 2.412 1.00 0.00 C ATOM 0 H ALA A 54 -11.743 8.657 0.695 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.504 10.726 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.093 10.713 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.773 9.069 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.782 9.657 1.657 1.00 0.00 H new ATOM 907 N ALA A 55 -11.038 11.589 -0.298 1.00 0.00 N ATOM 908 CA ALA A 55 -10.702 12.722 -1.153 1.00 0.00 C ATOM 909 C ALA A 55 -11.925 13.593 -1.416 1.00 0.00 C ATOM 910 O ALA A 55 -11.827 14.818 -1.459 1.00 0.00 O ATOM 911 CB ALA A 55 -10.110 12.238 -2.466 1.00 0.00 C ATOM 0 H ALA A 55 -10.931 10.680 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.959 13.327 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.865 13.096 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.205 11.663 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.835 11.608 -2.981 1.00 0.00 H new ATOM 917 N GLU A 56 -13.081 12.955 -1.571 1.00 0.00 N ATOM 918 CA GLU A 56 -14.322 13.679 -1.831 1.00 0.00 C ATOM 919 C GLU A 56 -14.879 14.286 -0.549 1.00 0.00 C ATOM 920 O GLU A 56 -15.835 15.063 -0.580 1.00 0.00 O ATOM 921 CB GLU A 56 -15.362 12.761 -2.472 1.00 0.00 C ATOM 922 CG GLU A 56 -14.931 12.199 -3.814 1.00 0.00 C ATOM 923 CD GLU A 56 -16.029 11.413 -4.490 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.274 10.258 -4.088 1.00 0.00 O ATOM 925 OE2 GLU A 56 -16.654 11.943 -5.432 1.00 0.00 O ATOM 0 H GLU A 56 -13.185 11.942 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.095 14.488 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.574 11.935 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.292 13.314 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.621 13.017 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.062 11.556 -3.673 1.00 0.00 H new ATOM 932 N LYS A 57 -14.282 13.924 0.578 1.00 0.00 N ATOM 933 CA LYS A 57 -14.684 14.464 1.870 1.00 0.00 C ATOM 934 C LYS A 57 -13.619 15.406 2.414 1.00 0.00 C ATOM 935 O LYS A 57 -13.746 15.922 3.526 1.00 0.00 O ATOM 936 CB LYS A 57 -14.939 13.337 2.876 1.00 0.00 C ATOM 937 CG LYS A 57 -16.390 12.881 2.958 1.00 0.00 C ATOM 938 CD LYS A 57 -16.874 12.240 1.666 1.00 0.00 C ATOM 939 CE LYS A 57 -18.301 11.741 1.809 1.00 0.00 C ATOM 940 NZ LYS A 57 -18.803 11.107 0.566 1.00 0.00 N ATOM 0 H LYS A 57 -13.513 13.255 0.624 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.609 15.022 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.317 12.482 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.619 13.669 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.498 12.168 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.023 13.736 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.818 12.964 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.219 11.410 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.352 11.022 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.950 12.575 2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.674 10.577 0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.005 11.842 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.083 10.456 0.193 1.00 0.00 H new ATOM 954 N ALA A 58 -12.581 15.634 1.619 1.00 0.00 N ATOM 955 CA ALA A 58 -11.459 16.456 2.040 1.00 0.00 C ATOM 956 C ALA A 58 -11.869 17.914 2.190 1.00 0.00 C ATOM 957 O ALA A 58 -12.064 18.627 1.203 1.00 0.00 O ATOM 958 CB ALA A 58 -10.306 16.325 1.058 1.00 0.00 C ATOM 0 H ALA A 58 -12.495 15.258 0.675 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.129 16.099 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.474 16.947 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.985 15.285 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.631 16.649 0.070 1.00 0.00 H new ATOM 964 N ARG A 59 -12.027 18.336 3.436 1.00 0.00 N ATOM 965 CA ARG A 59 -12.357 19.720 3.749 1.00 0.00 C ATOM 966 C ARG A 59 -11.167 20.628 3.453 1.00 0.00 C ATOM 967 O ARG A 59 -11.291 21.625 2.741 1.00 0.00 O ATOM 968 CB ARG A 59 -12.757 19.833 5.224 1.00 0.00 C ATOM 969 CG ARG A 59 -13.046 21.250 5.691 1.00 0.00 C ATOM 970 CD ARG A 59 -13.430 21.269 7.161 1.00 0.00 C ATOM 971 NE ARG A 59 -13.690 22.621 7.646 1.00 0.00 N ATOM 972 CZ ARG A 59 -14.574 22.907 8.599 1.00 0.00 C ATOM 973 NH1 ARG A 59 -15.271 21.935 9.179 1.00 0.00 N ATOM 974 NH2 ARG A 59 -14.749 24.162 8.988 1.00 0.00 N ATOM 0 H ARG A 59 -11.931 17.734 4.254 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.194 20.036 3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.642 19.220 5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.957 19.418 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.168 21.876 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.853 21.676 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.318 20.654 7.311 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.629 20.821 7.750 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.164 23.390 7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.129 20.966 8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.948 22.158 9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.206 24.910 8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.427 24.380 9.718 1.00 0.00 H new ATOM 988 N ASN A 60 -10.014 20.261 3.991 1.00 0.00 N ATOM 989 CA ASN A 60 -8.800 21.043 3.813 1.00 0.00 C ATOM 990 C ASN A 60 -8.105 20.676 2.510 1.00 0.00 C ATOM 991 O ASN A 60 -7.883 19.496 2.229 1.00 0.00 O ATOM 992 CB ASN A 60 -7.839 20.827 4.988 1.00 0.00 C ATOM 993 CG ASN A 60 -8.360 21.410 6.285 1.00 0.00 C ATOM 994 OD1 ASN A 60 -9.036 20.737 7.059 1.00 0.00 O ATOM 995 ND2 ASN A 60 -8.039 22.669 6.529 1.00 0.00 N ATOM 0 H ASN A 60 -9.893 19.422 4.558 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.085 22.094 3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.666 19.759 5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.876 21.280 4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.355 23.119 7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.475 23.191 5.858 1.00 0.00 H new ATOM 1002 N PRO A 61 -7.764 21.683 1.691 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.015 21.475 0.446 1.00 0.00 C ATOM 1004 C PRO A 61 -5.658 20.828 0.713 1.00 0.00 C ATOM 1005 O PRO A 61 -5.161 20.037 -0.090 1.00 0.00 O ATOM 1006 CB PRO A 61 -6.839 22.891 -0.116 1.00 0.00 C ATOM 1007 CG PRO A 61 -7.903 23.705 0.542 1.00 0.00 C ATOM 1008 CD PRO A 61 -8.098 23.102 1.902 1.00 0.00 C ATOM 0 HA PRO A 61 -7.531 20.804 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.847 23.284 0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.949 22.901 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.605 24.751 0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.828 23.678 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.446 23.563 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.122 23.227 2.255 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.080 21.162 1.862 1.00 0.00 N ATOM 1017 CA GLU A 62 -3.818 20.605 2.288 1.00 0.00 C ATOM 1018 C GLU A 62 -3.948 19.108 2.538 1.00 0.00 C ATOM 1019 O GLU A 62 -3.088 18.321 2.144 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.385 21.312 3.559 1.00 0.00 C ATOM 1021 CG GLU A 62 -3.008 22.767 3.351 1.00 0.00 C ATOM 1022 CD GLU A 62 -2.803 23.502 4.655 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -1.713 23.374 5.253 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -3.730 24.216 5.087 1.00 0.00 O ATOM 0 H GLU A 62 -5.482 21.830 2.520 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.072 20.750 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.193 21.256 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.533 20.783 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.094 22.822 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.790 23.263 2.777 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.039 18.728 3.189 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.327 17.326 3.458 1.00 0.00 C ATOM 1033 C LYS A 63 -5.616 16.586 2.156 1.00 0.00 C ATOM 1034 O LYS A 63 -5.236 15.428 1.991 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.513 17.205 4.422 1.00 0.00 C ATOM 1036 CG LYS A 63 -6.918 15.771 4.737 1.00 0.00 C ATOM 1037 CD LYS A 63 -8.029 15.720 5.774 1.00 0.00 C ATOM 1038 CE LYS A 63 -8.503 14.296 6.027 1.00 0.00 C ATOM 1039 NZ LYS A 63 -9.545 14.243 7.085 1.00 0.00 N ATOM 0 H LYS A 63 -5.743 19.376 3.542 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.454 16.871 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.263 17.713 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.369 17.727 3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.249 15.276 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.052 15.219 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.674 16.156 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.869 16.328 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.901 13.875 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.655 13.677 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.184 13.443 6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.092 14.120 8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.089 15.129 7.081 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.280 17.273 1.228 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.593 16.694 -0.074 1.00 0.00 C ATOM 1055 C ARG A 64 -5.314 16.341 -0.820 1.00 0.00 C ATOM 1056 O ARG A 64 -5.248 15.324 -1.504 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.424 17.659 -0.922 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.017 17.003 -2.161 1.00 0.00 C ATOM 1059 CD ARG A 64 -8.581 18.026 -3.132 1.00 0.00 C ATOM 1060 NE ARG A 64 -7.522 18.761 -3.823 1.00 0.00 N ATOM 1061 CZ ARG A 64 -7.601 19.161 -5.095 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -8.691 18.907 -5.812 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -6.584 19.801 -5.653 1.00 0.00 N ATOM 0 H ARG A 64 -6.610 18.230 1.355 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.175 15.789 0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.230 18.067 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.798 18.498 -1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.249 16.413 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.806 16.312 -1.863 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.212 17.522 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.217 18.727 -2.592 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.673 18.981 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.472 18.404 -5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.746 19.215 -6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.740 19.988 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.645 20.106 -6.624 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.297 17.193 -0.677 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.010 16.975 -1.333 1.00 0.00 C ATOM 1079 C GLN A 65 -2.399 15.667 -0.848 1.00 0.00 C ATOM 1080 O GLN A 65 -1.941 14.852 -1.646 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.062 18.150 -1.040 1.00 0.00 C ATOM 1082 CG GLN A 65 -1.100 18.491 -2.175 1.00 0.00 C ATOM 1083 CD GLN A 65 -0.203 17.333 -2.581 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -0.541 16.557 -3.469 1.00 0.00 O ATOM 1085 NE2 GLN A 65 0.944 17.220 -1.938 1.00 0.00 N ATOM 0 H GLN A 65 -4.342 18.041 -0.112 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.164 16.914 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.659 19.033 -0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.481 17.917 -0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.675 18.816 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.478 19.333 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.186 17.887 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.588 16.465 -2.173 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.424 15.461 0.464 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.892 14.239 1.056 1.00 0.00 C ATOM 1096 C VAL A 66 -2.633 13.016 0.519 1.00 0.00 C ATOM 1097 O VAL A 66 -2.013 12.030 0.120 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.995 14.263 2.598 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.386 13.008 3.209 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.324 15.508 3.158 1.00 0.00 C ATOM 0 H VAL A 66 -2.807 16.124 1.138 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.839 14.178 0.780 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.052 14.288 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.473 13.053 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.915 12.130 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.334 12.942 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.406 15.508 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.272 15.513 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.813 16.396 2.757 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.960 13.099 0.494 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.788 12.003 0.001 1.00 0.00 C ATOM 1112 C ILE A 67 -4.516 11.743 -1.480 1.00 0.00 C ATOM 1113 O ILE A 67 -4.326 10.601 -1.890 1.00 0.00 O ATOM 1114 CB ILE A 67 -6.290 12.298 0.206 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.582 12.569 1.684 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -7.131 11.134 -0.302 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -8.014 12.981 1.956 1.00 0.00 C ATOM 0 H ILE A 67 -4.485 13.914 0.810 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.526 11.114 0.575 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.553 13.188 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.356 11.672 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.914 13.353 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.188 11.355 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.940 10.983 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.868 10.229 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.146 13.156 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.240 13.896 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.688 12.188 1.632 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.483 12.815 -2.264 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.217 12.736 -3.704 1.00 0.00 C ATOM 1131 C ASP A 68 -2.854 12.116 -3.972 1.00 0.00 C ATOM 1132 O ASP A 68 -2.702 11.271 -4.858 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.269 14.135 -4.319 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.954 14.145 -5.801 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -4.816 13.728 -6.600 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -2.844 14.585 -6.173 1.00 0.00 O ATOM 0 H ASP A 68 -4.639 13.764 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.982 12.105 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.261 14.558 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.561 14.781 -3.799 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.872 12.544 -3.192 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.519 12.015 -3.291 1.00 0.00 C ATOM 1143 C LYS A 69 -0.520 10.506 -3.047 1.00 0.00 C ATOM 1144 O LYS A 69 0.081 9.747 -3.804 1.00 0.00 O ATOM 1145 CB LYS A 69 0.387 12.744 -2.281 1.00 0.00 C ATOM 1146 CG LYS A 69 1.855 12.329 -2.310 1.00 0.00 C ATOM 1147 CD LYS A 69 2.115 11.084 -1.473 1.00 0.00 C ATOM 1148 CE LYS A 69 3.586 10.706 -1.483 1.00 0.00 C ATOM 1149 NZ LYS A 69 4.431 11.734 -0.823 1.00 0.00 N ATOM 0 H LYS A 69 -1.989 13.263 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.131 12.186 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.325 13.816 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.003 12.573 -1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.158 12.142 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.470 13.149 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.790 11.259 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.522 10.254 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.718 9.750 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.918 10.570 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.218 11.992 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.857 12.578 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.810 11.353 0.067 1.00 0.00 H new ATOM 1163 N ILE A 70 -1.228 10.075 -2.011 1.00 0.00 N ATOM 1164 CA ILE A 70 -1.329 8.655 -1.694 1.00 0.00 C ATOM 1165 C ILE A 70 -2.125 7.922 -2.775 1.00 0.00 C ATOM 1166 O ILE A 70 -1.773 6.812 -3.168 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.980 8.423 -0.312 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -1.148 9.103 0.779 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.116 6.931 -0.027 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.772 9.034 2.157 1.00 0.00 C ATOM 0 H ILE A 70 -1.741 10.687 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.316 8.255 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.978 8.861 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.162 8.639 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.999 10.149 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.576 6.788 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.739 6.470 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.129 6.468 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.124 9.537 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.745 9.524 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.896 7.991 2.448 1.00 0.00 H new ATOM 1182 N LEU A 71 -3.178 8.565 -3.263 1.00 0.00 N ATOM 1183 CA LEU A 71 -4.005 8.010 -4.319 1.00 0.00 C ATOM 1184 C LEU A 71 -3.172 7.682 -5.552 1.00 0.00 C ATOM 1185 O LEU A 71 -3.286 6.597 -6.127 1.00 0.00 O ATOM 1186 CB LEU A 71 -5.106 9.011 -4.673 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.357 8.939 -3.797 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.318 10.061 -4.153 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.040 7.591 -3.960 1.00 0.00 C ATOM 0 H LEU A 71 -3.480 9.483 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.453 7.082 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.694 10.018 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.399 8.853 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.057 9.055 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.203 9.996 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.829 11.022 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.612 9.971 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.929 7.555 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.328 7.453 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.354 6.797 -3.665 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.328 8.622 -5.948 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.446 8.422 -7.086 1.00 0.00 C ATOM 1203 C GLU A 72 -0.392 7.376 -6.766 1.00 0.00 C ATOM 1204 O GLU A 72 -0.104 6.492 -7.575 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.755 9.727 -7.456 1.00 0.00 C ATOM 1206 CG GLU A 72 0.186 9.588 -8.639 1.00 0.00 C ATOM 1207 CD GLU A 72 0.851 10.887 -9.016 1.00 0.00 C ATOM 1208 OE1 GLU A 72 1.683 11.388 -8.234 1.00 0.00 O ATOM 1209 OE2 GLU A 72 0.562 11.400 -10.115 1.00 0.00 O ATOM 0 H GLU A 72 -2.236 9.532 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.051 8.079 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.510 10.478 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.195 10.092 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.952 8.849 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.370 9.208 -9.496 1.00 0.00 H new ATOM 1216 N ASP A 73 0.181 7.502 -5.586 1.00 0.00 N ATOM 1217 CA ASP A 73 1.253 6.620 -5.139 1.00 0.00 C ATOM 1218 C ASP A 73 0.829 5.160 -5.081 1.00 0.00 C ATOM 1219 O ASP A 73 1.602 4.281 -5.445 1.00 0.00 O ATOM 1220 CB ASP A 73 1.770 7.050 -3.774 1.00 0.00 C ATOM 1221 CG ASP A 73 2.941 8.003 -3.870 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.991 8.814 -4.818 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.836 7.919 -3.007 1.00 0.00 O ATOM 0 H ASP A 73 -0.079 8.217 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 73 2.048 6.705 -5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.963 7.527 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.070 6.168 -3.208 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.384 4.889 -4.625 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.839 3.509 -4.548 1.00 0.00 C ATOM 1230 C GLU A 74 -1.140 2.969 -5.947 1.00 0.00 C ATOM 1231 O GLU A 74 -0.889 1.797 -6.221 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.049 3.361 -3.616 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.807 3.860 -2.188 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.640 3.186 -1.465 1.00 0.00 C ATOM 1235 OE1 GLU A 74 0.098 2.375 -2.080 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.438 3.479 -0.258 1.00 0.00 O ATOM 0 H GLU A 74 -1.057 5.587 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.035 2.913 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.890 3.907 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.338 2.311 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.626 4.934 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.715 3.707 -1.605 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.645 3.828 -6.844 1.00 0.00 N ATOM 1244 CA GLU A 75 -1.789 3.463 -8.245 1.00 0.00 C ATOM 1245 C GLU A 75 -0.419 3.082 -8.808 1.00 0.00 C ATOM 1246 O GLU A 75 -0.270 2.109 -9.546 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.356 4.647 -9.034 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.540 4.299 -9.922 1.00 0.00 C ATOM 1249 CD GLU A 75 -3.446 2.897 -10.484 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -2.412 2.580 -11.094 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -4.307 2.075 -10.131 1.00 0.00 O ATOM 0 H GLU A 75 -1.956 4.773 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.471 2.617 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.659 5.424 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.564 5.068 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.462 4.397 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.598 5.014 -10.743 1.00 0.00 H new ATOM 1258 N LYS A 76 0.584 3.850 -8.405 1.00 0.00 N ATOM 1259 CA LYS A 76 1.965 3.627 -8.819 1.00 0.00 C ATOM 1260 C LYS A 76 2.410 2.215 -8.440 1.00 0.00 C ATOM 1261 O LYS A 76 3.076 1.530 -9.212 1.00 0.00 O ATOM 1262 CB LYS A 76 2.857 4.665 -8.124 1.00 0.00 C ATOM 1263 CG LYS A 76 4.347 4.510 -8.381 1.00 0.00 C ATOM 1264 CD LYS A 76 5.164 4.985 -7.180 1.00 0.00 C ATOM 1265 CE LYS A 76 4.791 6.399 -6.749 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.556 6.839 -5.546 1.00 0.00 N ATOM 0 H LYS A 76 0.464 4.647 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 76 2.047 3.731 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.550 5.660 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.682 4.611 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.576 3.465 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.628 5.082 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.010 4.301 -6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.225 4.951 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.980 7.090 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.723 6.443 -6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.309 7.823 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.318 6.227 -4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.576 6.775 -5.740 1.00 0.00 H new ATOM 1280 N HIS A 77 2.007 1.783 -7.254 1.00 0.00 N ATOM 1281 CA HIS A 77 2.391 0.473 -6.741 1.00 0.00 C ATOM 1282 C HIS A 77 1.618 -0.641 -7.441 1.00 0.00 C ATOM 1283 O HIS A 77 2.178 -1.696 -7.747 1.00 0.00 O ATOM 1284 CB HIS A 77 2.159 0.407 -5.234 1.00 0.00 C ATOM 1285 CG HIS A 77 2.926 1.438 -4.466 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.526 1.856 -3.215 1.00 0.00 N ATOM 1287 CD2 HIS A 77 4.060 2.093 -4.810 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.430 2.751 -2.837 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.372 2.923 -3.769 1.00 0.00 N ATOM 0 H HIS A 77 1.412 2.322 -6.625 1.00 0.00 H new ATOM 0 HA HIS A 77 3.452 0.329 -6.945 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.095 0.532 -5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.437 -0.584 -4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.613 1.981 -5.731 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.407 3.275 -1.893 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.172 3.554 -3.714 1.00 0.00 H new ATOM 1297 N ILE A 78 0.332 -0.401 -7.691 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.498 -1.349 -8.431 1.00 0.00 C ATOM 1299 C ILE A 78 0.117 -1.625 -9.801 1.00 0.00 C ATOM 1300 O ILE A 78 0.203 -2.773 -10.236 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.940 -0.821 -8.610 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.603 -0.615 -7.245 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.764 -1.786 -9.455 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.995 -0.023 -7.325 1.00 0.00 C ATOM 0 H ILE A 78 -0.158 0.442 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.541 -2.272 -7.853 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.894 0.138 -9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.655 -1.573 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.974 0.039 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.776 -1.397 -9.569 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.303 -1.894 -10.437 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.803 -2.758 -8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.399 0.093 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.949 0.951 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.640 -0.687 -7.901 1.00 0.00 H new ATOM 1316 N GLU A 79 0.568 -0.560 -10.452 1.00 0.00 N ATOM 1317 CA GLU A 79 1.249 -0.661 -11.737 1.00 0.00 C ATOM 1318 C GLU A 79 2.463 -1.581 -11.655 1.00 0.00 C ATOM 1319 O GLU A 79 2.606 -2.502 -12.466 1.00 0.00 O ATOM 1320 CB GLU A 79 1.680 0.731 -12.210 1.00 0.00 C ATOM 1321 CG GLU A 79 0.792 1.318 -13.290 1.00 0.00 C ATOM 1322 CD GLU A 79 0.893 0.552 -14.592 1.00 0.00 C ATOM 1323 OE1 GLU A 79 1.935 0.668 -15.273 1.00 0.00 O ATOM 1324 OE2 GLU A 79 -0.063 -0.172 -14.943 1.00 0.00 O ATOM 0 H GLU A 79 0.473 0.395 -10.106 1.00 0.00 H new ATOM 0 HA GLU A 79 0.550 -1.090 -12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.690 1.407 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.702 0.676 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.243 1.315 -12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.069 2.358 -13.460 1.00 0.00 H new ATOM 1331 N TRP A 80 3.321 -1.342 -10.667 1.00 0.00 N ATOM 1332 CA TRP A 80 4.553 -2.112 -10.517 1.00 0.00 C ATOM 1333 C TRP A 80 4.260 -3.592 -10.305 1.00 0.00 C ATOM 1334 O TRP A 80 4.855 -4.458 -10.949 1.00 0.00 O ATOM 1335 CB TRP A 80 5.363 -1.604 -9.324 1.00 0.00 C ATOM 1336 CG TRP A 80 5.892 -0.210 -9.468 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.851 0.582 -10.580 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.561 0.550 -8.456 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.453 1.790 -10.318 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.896 1.794 -9.021 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.905 0.300 -7.124 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 7.562 2.781 -8.302 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 7.567 1.280 -6.411 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.887 2.509 -7.000 1.00 0.00 C ATOM 0 H TRP A 80 3.186 -0.621 -9.958 1.00 0.00 H new ATOM 0 HA TRP A 80 5.123 -1.986 -11.437 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.737 -1.649 -8.433 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.202 -2.280 -9.159 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.411 0.301 -11.525 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.554 2.558 -10.981 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.657 -0.644 -6.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.814 3.729 -8.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.842 1.095 -5.383 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.401 3.258 -6.415 1.00 0.00 H new ATOM 1355 N HIS A 81 3.332 -3.877 -9.403 1.00 0.00 N ATOM 1356 CA HIS A 81 2.996 -5.253 -9.071 1.00 0.00 C ATOM 1357 C HIS A 81 2.242 -5.939 -10.198 1.00 0.00 C ATOM 1358 O HIS A 81 2.374 -7.148 -10.383 1.00 0.00 O ATOM 1359 CB HIS A 81 2.226 -5.328 -7.754 1.00 0.00 C ATOM 1360 CG HIS A 81 3.118 -5.144 -6.566 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.875 -6.156 -6.011 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.409 -4.027 -5.854 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.589 -5.631 -5.006 1.00 0.00 C ATOM 1364 NE2 HIS A 81 4.344 -4.344 -4.872 1.00 0.00 N ATOM 0 H HIS A 81 2.800 -3.175 -8.889 1.00 0.00 H new ATOM 0 HA HIS A 81 3.933 -5.795 -8.940 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.450 -4.563 -7.745 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.724 -6.293 -7.683 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.888 -7.130 -6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.984 -3.049 -6.022 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.275 -6.190 -4.387 1.00 0.00 H new ATOM 1372 N LYS A 82 1.465 -5.179 -10.961 1.00 0.00 N ATOM 1373 CA LYS A 82 0.746 -5.753 -12.091 1.00 0.00 C ATOM 1374 C LYS A 82 1.733 -6.178 -13.178 1.00 0.00 C ATOM 1375 O LYS A 82 1.542 -7.194 -13.848 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.279 -4.764 -12.650 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.237 -5.396 -13.644 1.00 0.00 C ATOM 1378 CD LYS A 82 -2.288 -4.413 -14.120 1.00 0.00 C ATOM 1379 CE LYS A 82 -3.238 -5.062 -15.115 1.00 0.00 C ATOM 1380 NZ LYS A 82 -2.533 -5.562 -16.326 1.00 0.00 N ATOM 0 H LYS A 82 1.318 -4.179 -10.821 1.00 0.00 H new ATOM 0 HA LYS A 82 0.204 -6.633 -11.744 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.850 -4.337 -11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.246 -3.941 -13.134 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.676 -5.771 -14.500 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.725 -6.254 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.852 -4.038 -13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.803 -3.554 -14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.757 -5.890 -14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.998 -4.340 -15.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.229 -5.776 -17.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.873 -4.835 -16.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.004 -6.425 -16.088 1.00 0.00 H new ATOM 1394 N ALA A 83 2.801 -5.398 -13.334 1.00 0.00 N ATOM 1395 CA ALA A 83 3.872 -5.748 -14.258 1.00 0.00 C ATOM 1396 C ALA A 83 4.615 -6.982 -13.755 1.00 0.00 C ATOM 1397 O ALA A 83 5.060 -7.823 -14.540 1.00 0.00 O ATOM 1398 CB ALA A 83 4.830 -4.576 -14.429 1.00 0.00 C ATOM 0 H ALA A 83 2.945 -4.522 -12.832 1.00 0.00 H new ATOM 0 HA ALA A 83 3.437 -5.977 -15.231 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.624 -4.853 -15.122 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.287 -3.717 -14.824 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.265 -4.318 -13.463 1.00 0.00 H new ATOM 1404 N ALA A 84 4.730 -7.091 -12.434 1.00 0.00 N ATOM 1405 CA ALA A 84 5.358 -8.250 -11.805 1.00 0.00 C ATOM 1406 C ALA A 84 4.515 -9.506 -12.012 1.00 0.00 C ATOM 1407 O ALA A 84 5.043 -10.615 -12.069 1.00 0.00 O ATOM 1408 CB ALA A 84 5.580 -7.998 -10.322 1.00 0.00 C ATOM 0 H ALA A 84 4.395 -6.388 -11.776 1.00 0.00 H new ATOM 0 HA ALA A 84 6.327 -8.408 -12.279 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.049 -8.872 -9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.229 -7.132 -10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.622 -7.809 -9.838 1.00 0.00 H new ATOM 1414 N SER A 85 3.203 -9.323 -12.115 1.00 0.00 N ATOM 1415 CA SER A 85 2.290 -10.433 -12.372 1.00 0.00 C ATOM 1416 C SER A 85 2.488 -10.967 -13.794 1.00 0.00 C ATOM 1417 O SER A 85 2.051 -12.074 -14.124 1.00 0.00 O ATOM 1418 CB SER A 85 0.837 -9.988 -12.166 1.00 0.00 C ATOM 1419 OG SER A 85 -0.067 -11.070 -12.343 1.00 0.00 O ATOM 0 H SER A 85 2.747 -8.415 -12.024 1.00 0.00 H new ATOM 0 HA SER A 85 2.510 -11.234 -11.667 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.720 -9.575 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.596 -9.191 -12.870 1.00 0.00 H new ATOM 0 HG SER A 85 -0.985 -10.756 -12.204 1.00 0.00 H new ATOM 1425 N LYS A 86 3.141 -10.170 -14.633 1.00 0.00 N ATOM 1426 CA LYS A 86 3.485 -10.600 -15.978 1.00 0.00 C ATOM 1427 C LYS A 86 4.795 -11.381 -15.922 1.00 0.00 C ATOM 1428 O LYS A 86 4.878 -12.511 -16.402 1.00 0.00 O ATOM 1429 CB LYS A 86 3.606 -9.386 -16.911 1.00 0.00 C ATOM 1430 CG LYS A 86 3.369 -9.697 -18.387 1.00 0.00 C ATOM 1431 CD LYS A 86 4.460 -10.579 -18.972 1.00 0.00 C ATOM 1432 CE LYS A 86 4.150 -10.977 -20.404 1.00 0.00 C ATOM 1433 NZ LYS A 86 5.187 -11.885 -20.959 1.00 0.00 N ATOM 0 H LYS A 86 3.442 -9.223 -14.403 1.00 0.00 H new ATOM 0 HA LYS A 86 2.700 -11.244 -16.375 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.892 -8.627 -16.593 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.601 -8.955 -16.799 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.404 -10.191 -18.502 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.318 -8.765 -18.949 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.413 -10.050 -18.939 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.571 -11.475 -18.361 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.178 -11.468 -20.443 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.080 -10.083 -21.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.941 -12.135 -21.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.110 -11.407 -20.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.236 -12.749 -20.383 1.00 0.00 H new ATOM 1447 N GLN A 87 5.809 -10.774 -15.317 1.00 0.00 N ATOM 1448 CA GLN A 87 7.087 -11.441 -15.090 1.00 0.00 C ATOM 1449 C GLN A 87 7.810 -10.766 -13.931 1.00 0.00 C ATOM 1450 O GLN A 87 8.310 -9.645 -14.062 1.00 0.00 O ATOM 1451 CB GLN A 87 7.960 -11.413 -16.360 1.00 0.00 C ATOM 1452 CG GLN A 87 8.744 -12.702 -16.612 1.00 0.00 C ATOM 1453 CD GLN A 87 9.981 -12.866 -15.739 1.00 0.00 C ATOM 1454 OE1 GLN A 87 10.046 -12.379 -14.612 1.00 0.00 O ATOM 1455 NE2 GLN A 87 10.974 -13.570 -16.257 1.00 0.00 N ATOM 0 H GLN A 87 5.771 -9.815 -14.972 1.00 0.00 H new ATOM 0 HA GLN A 87 6.899 -12.485 -14.841 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.322 -11.215 -17.221 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.662 -10.583 -16.286 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.083 -13.553 -16.448 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.046 -12.730 -17.659 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.887 -13.960 -17.195 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.826 -13.723 -15.718 1.00 0.00 H new ATOM 1464 N GLY A 88 7.850 -11.445 -12.795 1.00 0.00 N ATOM 1465 CA GLY A 88 8.522 -10.911 -11.634 1.00 0.00 C ATOM 1466 C GLY A 88 9.226 -11.991 -10.844 1.00 0.00 C ATOM 1467 O GLY A 88 8.690 -12.498 -9.863 1.00 0.00 O ATOM 0 H GLY A 88 7.425 -12.362 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.247 -10.160 -11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.797 -10.407 -10.994 1.00 0.00 H new ATOM 1471 N ASN A 89 10.417 -12.366 -11.297 1.00 0.00 N ATOM 1472 CA ASN A 89 11.229 -13.368 -10.605 1.00 0.00 C ATOM 1473 C ASN A 89 11.623 -12.876 -9.217 1.00 0.00 C ATOM 1474 O ASN A 89 11.571 -11.675 -8.948 1.00 0.00 O ATOM 1475 CB ASN A 89 12.486 -13.693 -11.418 1.00 0.00 C ATOM 1476 CG ASN A 89 12.180 -14.437 -12.708 1.00 0.00 C ATOM 1477 OD1 ASN A 89 12.857 -14.253 -13.718 1.00 0.00 O ATOM 1478 ND2 ASN A 89 11.165 -15.291 -12.681 1.00 0.00 N ATOM 0 H ASN A 89 10.845 -11.991 -12.143 1.00 0.00 H new ATOM 0 HA ASN A 89 10.632 -14.274 -10.499 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.009 -12.767 -11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.161 -14.294 -10.809 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.923 -15.822 -13.517 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.627 -15.416 -11.824 1.00 0.00 H new ATOM 1485 N ALA A 90 12.036 -13.807 -8.357 1.00 0.00 N ATOM 1486 CA ALA A 90 12.368 -13.508 -6.959 1.00 0.00 C ATOM 1487 C ALA A 90 13.306 -12.313 -6.825 1.00 0.00 C ATOM 1488 O ALA A 90 13.153 -11.499 -5.917 1.00 0.00 O ATOM 1489 CB ALA A 90 12.990 -14.727 -6.296 1.00 0.00 C ATOM 0 H ALA A 90 12.151 -14.789 -8.607 1.00 0.00 H new ATOM 0 HA ALA A 90 11.435 -13.249 -6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.232 -14.493 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.284 -15.557 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.900 -15.005 -6.827 1.00 0.00 H new ATOM 1495 N GLU A 91 14.254 -12.201 -7.748 1.00 0.00 N ATOM 1496 CA GLU A 91 15.237 -11.122 -7.720 1.00 0.00 C ATOM 1497 C GLU A 91 14.540 -9.774 -7.819 1.00 0.00 C ATOM 1498 O GLU A 91 14.768 -8.868 -7.016 1.00 0.00 O ATOM 1499 CB GLU A 91 16.181 -11.277 -8.909 1.00 0.00 C ATOM 1500 CG GLU A 91 17.404 -10.378 -8.861 1.00 0.00 C ATOM 1501 CD GLU A 91 18.303 -10.677 -7.684 1.00 0.00 C ATOM 1502 OE1 GLU A 91 19.019 -11.699 -7.722 1.00 0.00 O ATOM 1503 OE2 GLU A 91 18.314 -9.881 -6.722 1.00 0.00 O ATOM 0 H GLU A 91 14.364 -12.847 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 91 15.793 -11.172 -6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.510 -12.315 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.628 -11.070 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.971 -10.494 -9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.083 -9.337 -8.812 1.00 0.00 H new ATOM 1510 N GLN A 92 13.672 -9.676 -8.805 1.00 0.00 N ATOM 1511 CA GLN A 92 12.917 -8.456 -9.056 1.00 0.00 C ATOM 1512 C GLN A 92 11.842 -8.248 -7.994 1.00 0.00 C ATOM 1513 O GLN A 92 11.661 -7.143 -7.483 1.00 0.00 O ATOM 1514 CB GLN A 92 12.269 -8.515 -10.445 1.00 0.00 C ATOM 1515 CG GLN A 92 13.263 -8.787 -11.563 1.00 0.00 C ATOM 1516 CD GLN A 92 14.368 -7.752 -11.625 1.00 0.00 C ATOM 1517 OE1 GLN A 92 14.163 -6.582 -11.297 1.00 0.00 O ATOM 1518 NE2 GLN A 92 15.550 -8.179 -12.031 1.00 0.00 N ATOM 0 H GLN A 92 13.467 -10.435 -9.455 1.00 0.00 H new ATOM 0 HA GLN A 92 13.609 -7.615 -9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.506 -9.294 -10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.761 -7.571 -10.642 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.703 -9.774 -11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.735 -8.807 -12.516 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.677 -9.156 -12.293 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.336 -7.531 -12.082 1.00 0.00 H new ATOM 1527 N PHE A 93 11.150 -9.326 -7.655 1.00 0.00 N ATOM 1528 CA PHE A 93 9.995 -9.256 -6.773 1.00 0.00 C ATOM 1529 C PHE A 93 10.398 -8.857 -5.358 1.00 0.00 C ATOM 1530 O PHE A 93 9.777 -7.978 -4.758 1.00 0.00 O ATOM 1531 CB PHE A 93 9.265 -10.604 -6.760 1.00 0.00 C ATOM 1532 CG PHE A 93 7.889 -10.538 -6.160 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.800 -10.162 -6.932 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.685 -10.845 -4.825 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.534 -10.094 -6.382 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.423 -10.777 -4.270 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.345 -10.402 -5.049 1.00 0.00 C ATOM 0 H PHE A 93 11.371 -10.267 -7.981 1.00 0.00 H new ATOM 0 HA PHE A 93 9.323 -8.487 -7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.189 -10.976 -7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.862 -11.325 -6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.943 -9.920 -7.975 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.523 -11.141 -4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.694 -9.800 -6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.278 -11.017 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.357 -10.350 -4.616 1.00 0.00 H new ATOM 1547 N ALA A 94 11.445 -9.485 -4.834 1.00 0.00 N ATOM 1548 CA ALA A 94 11.922 -9.175 -3.489 1.00 0.00 C ATOM 1549 C ALA A 94 12.364 -7.720 -3.396 1.00 0.00 C ATOM 1550 O ALA A 94 12.135 -7.051 -2.385 1.00 0.00 O ATOM 1551 CB ALA A 94 13.065 -10.099 -3.102 1.00 0.00 C ATOM 0 H ALA A 94 11.978 -10.208 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 94 11.098 -9.330 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.407 -9.853 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.721 -11.133 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.888 -9.975 -3.806 1.00 0.00 H new ATOM 1557 N SER A 95 12.980 -7.228 -4.461 1.00 0.00 N ATOM 1558 CA SER A 95 13.419 -5.851 -4.519 1.00 0.00 C ATOM 1559 C SER A 95 12.210 -4.915 -4.592 1.00 0.00 C ATOM 1560 O SER A 95 12.184 -3.859 -3.955 1.00 0.00 O ATOM 1561 CB SER A 95 14.326 -5.670 -5.733 1.00 0.00 C ATOM 1562 OG SER A 95 15.382 -6.618 -5.716 1.00 0.00 O ATOM 0 H SER A 95 13.186 -7.771 -5.300 1.00 0.00 H new ATOM 0 HA SER A 95 13.979 -5.602 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.744 -5.783 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.737 -4.660 -5.739 1.00 0.00 H new ATOM 0 HG SER A 95 15.227 -7.292 -6.410 1.00 0.00 H new ATOM 1568 N LEU A 96 11.202 -5.336 -5.352 1.00 0.00 N ATOM 1569 CA LEU A 96 9.972 -4.569 -5.512 1.00 0.00 C ATOM 1570 C LEU A 96 9.271 -4.383 -4.173 1.00 0.00 C ATOM 1571 O LEU A 96 8.843 -3.280 -3.835 1.00 0.00 O ATOM 1572 CB LEU A 96 9.038 -5.279 -6.495 1.00 0.00 C ATOM 1573 CG LEU A 96 7.715 -4.564 -6.788 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.972 -3.162 -7.321 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.890 -5.370 -7.782 1.00 0.00 C ATOM 0 H LEU A 96 11.215 -6.214 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 96 10.229 -3.585 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.570 -5.420 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.815 -6.271 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 96 7.153 -4.478 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.021 -2.670 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.528 -2.587 -6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.552 -3.223 -8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.952 -4.851 -7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.448 -5.482 -8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.678 -6.355 -7.365 1.00 0.00 H new ATOM 1587 N VAL A 97 9.166 -5.471 -3.416 1.00 0.00 N ATOM 1588 CA VAL A 97 8.534 -5.438 -2.100 1.00 0.00 C ATOM 1589 C VAL A 97 9.224 -4.426 -1.186 1.00 0.00 C ATOM 1590 O VAL A 97 8.567 -3.675 -0.467 1.00 0.00 O ATOM 1591 CB VAL A 97 8.552 -6.832 -1.431 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.964 -6.778 -0.027 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.795 -7.840 -2.281 1.00 0.00 C ATOM 0 H VAL A 97 9.512 -6.390 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 97 7.498 -5.135 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 97 9.591 -7.150 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.991 -7.773 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.548 -6.091 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.932 -6.431 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.818 -8.816 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.761 -7.516 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.263 -7.913 -3.263 1.00 0.00 H new ATOM 1603 N GLN A 98 10.550 -4.396 -1.237 1.00 0.00 N ATOM 1604 CA GLN A 98 11.327 -3.477 -0.414 1.00 0.00 C ATOM 1605 C GLN A 98 11.054 -2.024 -0.802 1.00 0.00 C ATOM 1606 O GLN A 98 10.838 -1.171 0.063 1.00 0.00 O ATOM 1607 CB GLN A 98 12.819 -3.776 -0.547 1.00 0.00 C ATOM 1608 CG GLN A 98 13.699 -2.848 0.274 1.00 0.00 C ATOM 1609 CD GLN A 98 15.174 -3.163 0.131 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.565 -3.681 -1.024 1.00 0.00 O flip ATOM 1611 NE2 GLN A 98 15.961 -2.930 1.049 1.00 0.00 N flip ATOM 0 H GLN A 98 11.110 -4.998 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 98 11.023 -3.620 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.004 -4.805 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.104 -3.700 -1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.520 -1.818 -0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.416 -2.921 1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.621 -2.531 1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.953 -3.136 0.935 1.00 0.00 H new ATOM 1620 N GLN A 99 11.051 -1.751 -2.103 1.00 0.00 N ATOM 1621 CA GLN A 99 10.836 -0.397 -2.600 1.00 0.00 C ATOM 1622 C GLN A 99 9.410 0.061 -2.301 1.00 0.00 C ATOM 1623 O GLN A 99 9.172 1.226 -1.979 1.00 0.00 O ATOM 1624 CB GLN A 99 11.116 -0.331 -4.104 1.00 0.00 C ATOM 1625 CG GLN A 99 12.533 -0.739 -4.480 1.00 0.00 C ATOM 1626 CD GLN A 99 13.591 0.142 -3.841 1.00 0.00 C ATOM 1627 OE1 GLN A 99 13.372 1.332 -3.613 1.00 0.00 O ATOM 1628 NE2 GLN A 99 14.745 -0.434 -3.549 1.00 0.00 N ATOM 0 H GLN A 99 11.195 -2.450 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 99 11.527 0.274 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.410 -0.978 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.935 0.685 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.699 -1.774 -4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.641 -0.700 -5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.888 -1.423 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.493 0.111 -3.119 1.00 0.00 H new ATOM 1637 N HIS A 100 8.471 -0.873 -2.395 1.00 0.00 N ATOM 1638 CA HIS A 100 7.077 -0.602 -2.078 1.00 0.00 C ATOM 1639 C HIS A 100 6.932 -0.292 -0.588 1.00 0.00 C ATOM 1640 O HIS A 100 6.273 0.675 -0.202 1.00 0.00 O ATOM 1641 CB HIS A 100 6.220 -1.818 -2.458 1.00 0.00 C ATOM 1642 CG HIS A 100 4.738 -1.596 -2.379 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.809 -2.503 -2.829 1.00 0.00 N ATOM 1644 CD2 HIS A 100 4.029 -0.553 -1.882 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.592 -1.998 -2.602 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.668 -0.812 -2.027 1.00 0.00 N ATOM 0 H HIS A 100 8.654 -1.832 -2.691 1.00 0.00 H new ATOM 0 HA HIS A 100 6.737 0.263 -2.646 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.474 -2.120 -3.474 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.484 -2.649 -1.804 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.012 -3.404 -3.261 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.453 0.338 -1.443 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.668 -2.495 -2.856 1.00 0.00 H new ATOM 1654 N LEU A 101 7.569 -1.116 0.239 1.00 0.00 N ATOM 1655 CA LEU A 101 7.517 -0.958 1.690 1.00 0.00 C ATOM 1656 C LEU A 101 8.026 0.426 2.097 1.00 0.00 C ATOM 1657 O LEU A 101 7.492 1.053 3.012 1.00 0.00 O ATOM 1658 CB LEU A 101 8.358 -2.055 2.354 1.00 0.00 C ATOM 1659 CG LEU A 101 7.757 -2.691 3.616 1.00 0.00 C ATOM 1660 CD1 LEU A 101 8.601 -3.875 4.064 1.00 0.00 C ATOM 1661 CD2 LEU A 101 7.642 -1.673 4.739 1.00 0.00 C ATOM 0 H LEU A 101 8.132 -1.907 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 101 6.483 -1.050 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.534 -2.843 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.331 -1.635 2.610 1.00 0.00 H new ATOM 0 HG LEU A 101 6.755 -3.043 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.163 -4.316 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.632 -4.621 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.614 -3.537 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.213 -2.150 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.631 -1.285 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.998 -0.852 4.422 1.00 0.00 H new ATOM 1673 N GLN A 102 9.056 0.898 1.403 1.00 0.00 N ATOM 1674 CA GLN A 102 9.629 2.203 1.656 1.00 0.00 C ATOM 1675 C GLN A 102 8.607 3.309 1.407 1.00 0.00 C ATOM 1676 O GLN A 102 8.453 4.219 2.222 1.00 0.00 O ATOM 1677 CB GLN A 102 10.839 2.378 0.746 1.00 0.00 C ATOM 1678 CG GLN A 102 12.153 2.519 1.489 1.00 0.00 C ATOM 1679 CD GLN A 102 12.440 3.944 1.926 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.528 4.732 2.177 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.714 4.288 2.018 1.00 0.00 N ATOM 0 H GLN A 102 9.513 0.382 0.651 1.00 0.00 H new ATOM 0 HA GLN A 102 9.932 2.272 2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.903 1.522 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.688 3.260 0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.139 1.872 2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.964 2.171 0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.443 3.608 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.968 5.233 2.305 1.00 0.00 H new ATOM 1690 N ASP A 103 7.882 3.196 0.300 1.00 0.00 N ATOM 1691 CA ASP A 103 6.910 4.216 -0.086 1.00 0.00 C ATOM 1692 C ASP A 103 5.742 4.246 0.889 1.00 0.00 C ATOM 1693 O ASP A 103 5.247 5.316 1.248 1.00 0.00 O ATOM 1694 CB ASP A 103 6.385 3.952 -1.498 1.00 0.00 C ATOM 1695 CG ASP A 103 6.433 5.187 -2.380 1.00 0.00 C ATOM 1696 OD1 ASP A 103 7.103 6.171 -2.003 1.00 0.00 O ATOM 1697 OD2 ASP A 103 5.815 5.168 -3.471 1.00 0.00 O ATOM 0 H ASP A 103 7.948 2.410 -0.346 1.00 0.00 H new ATOM 0 HA ASP A 103 7.415 5.182 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.974 3.159 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.358 3.593 -1.438 1.00 0.00 H new ATOM 1702 N GLU A 104 5.310 3.067 1.331 1.00 0.00 N ATOM 1703 CA GLU A 104 4.186 2.969 2.257 1.00 0.00 C ATOM 1704 C GLU A 104 4.534 3.590 3.605 1.00 0.00 C ATOM 1705 O GLU A 104 3.692 4.221 4.241 1.00 0.00 O ATOM 1706 CB GLU A 104 3.756 1.516 2.460 1.00 0.00 C ATOM 1707 CG GLU A 104 3.262 0.838 1.192 1.00 0.00 C ATOM 1708 CD GLU A 104 2.110 1.571 0.532 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.500 2.460 1.169 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.798 1.269 -0.636 1.00 0.00 O ATOM 0 H GLU A 104 5.719 2.171 1.064 1.00 0.00 H new ATOM 0 HA GLU A 104 3.356 3.520 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.598 0.950 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.966 1.482 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.087 0.760 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.949 -0.179 1.430 1.00 0.00 H new ATOM 1717 N GLN A 105 5.782 3.411 4.036 1.00 0.00 N ATOM 1718 CA GLN A 105 6.241 3.985 5.285 1.00 0.00 C ATOM 1719 C GLN A 105 6.215 5.506 5.223 1.00 0.00 C ATOM 1720 O GLN A 105 5.940 6.169 6.219 1.00 0.00 O ATOM 1721 CB GLN A 105 7.645 3.488 5.615 1.00 0.00 C ATOM 1722 CG GLN A 105 7.684 2.031 6.044 1.00 0.00 C ATOM 1723 CD GLN A 105 9.074 1.578 6.439 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.469 1.688 7.602 1.00 0.00 O ATOM 1725 NE2 GLN A 105 9.822 1.062 5.477 1.00 0.00 N ATOM 0 H GLN A 105 6.488 2.872 3.534 1.00 0.00 H new ATOM 0 HA GLN A 105 5.564 3.665 6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.283 3.619 4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.063 4.105 6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.006 1.885 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.320 1.406 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.454 0.990 4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.766 0.736 5.684 1.00 0.00 H new ATOM 1734 N ARG A 106 6.484 6.046 4.037 1.00 0.00 N ATOM 1735 CA ARG A 106 6.419 7.485 3.809 1.00 0.00 C ATOM 1736 C ARG A 106 4.983 7.968 3.960 1.00 0.00 C ATOM 1737 O ARG A 106 4.734 9.013 4.551 1.00 0.00 O ATOM 1738 CB ARG A 106 6.932 7.812 2.407 1.00 0.00 C ATOM 1739 CG ARG A 106 8.355 7.342 2.160 1.00 0.00 C ATOM 1740 CD ARG A 106 8.695 7.365 0.681 1.00 0.00 C ATOM 1741 NE ARG A 106 10.064 6.919 0.431 1.00 0.00 N ATOM 1742 CZ ARG A 106 10.540 6.610 -0.775 1.00 0.00 C ATOM 1743 NH1 ARG A 106 9.734 6.557 -1.825 1.00 0.00 N ATOM 1744 NH2 ARG A 106 11.820 6.306 -0.931 1.00 0.00 N ATOM 0 H ARG A 106 6.751 5.504 3.215 1.00 0.00 H new ATOM 0 HA ARG A 106 7.044 7.991 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.273 7.353 1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.881 8.890 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.051 7.980 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.479 6.331 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.000 6.725 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.566 8.376 0.294 1.00 0.00 H new ATOM 0 HE ARG A 106 10.694 6.839 1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.739 6.754 -1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.108 6.320 -2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.446 6.308 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.179 6.070 -1.856 1.00 0.00 H new ATOM 1758 N HIS A 107 4.045 7.188 3.430 1.00 0.00 N ATOM 1759 CA HIS A 107 2.625 7.505 3.552 1.00 0.00 C ATOM 1760 C HIS A 107 2.231 7.585 5.020 1.00 0.00 C ATOM 1761 O HIS A 107 1.639 8.568 5.457 1.00 0.00 O ATOM 1762 CB HIS A 107 1.760 6.455 2.839 1.00 0.00 C ATOM 1763 CG HIS A 107 1.996 6.358 1.360 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.534 5.288 0.621 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.644 7.220 0.537 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.914 5.533 -0.630 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.587 6.688 -0.722 1.00 0.00 N ATOM 0 H HIS A 107 4.242 6.332 2.912 1.00 0.00 H new ATOM 0 HA HIS A 107 2.454 8.471 3.077 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.948 5.480 3.289 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.710 6.689 3.012 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.115 8.149 0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.706 4.883 -1.467 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.982 7.094 -1.570 1.00 0.00 H new ATOM 1775 N VAL A 108 2.586 6.555 5.779 1.00 0.00 N ATOM 1776 CA VAL A 108 2.309 6.526 7.210 1.00 0.00 C ATOM 1777 C VAL A 108 2.970 7.715 7.904 1.00 0.00 C ATOM 1778 O VAL A 108 2.345 8.413 8.704 1.00 0.00 O ATOM 1779 CB VAL A 108 2.809 5.217 7.855 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.484 5.191 9.339 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.211 4.007 7.155 1.00 0.00 C ATOM 0 H VAL A 108 3.067 5.728 5.427 1.00 0.00 H new ATOM 0 HA VAL A 108 1.228 6.583 7.334 1.00 0.00 H new ATOM 0 HB VAL A 108 3.892 5.176 7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.845 4.259 9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.968 6.034 9.832 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.405 5.261 9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.578 3.096 7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.124 4.043 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.502 4.014 6.104 1.00 0.00 H new ATOM 1791 N GLU A 109 4.232 7.949 7.561 1.00 0.00 N ATOM 1792 CA GLU A 109 4.995 9.064 8.102 1.00 0.00 C ATOM 1793 C GLU A 109 4.320 10.404 7.807 1.00 0.00 C ATOM 1794 O GLU A 109 4.288 11.288 8.661 1.00 0.00 O ATOM 1795 CB GLU A 109 6.414 9.035 7.528 1.00 0.00 C ATOM 1796 CG GLU A 109 7.379 8.174 8.333 1.00 0.00 C ATOM 1797 CD GLU A 109 7.582 8.688 9.748 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.371 9.639 9.930 1.00 0.00 O ATOM 1799 OE2 GLU A 109 6.949 8.146 10.686 1.00 0.00 O ATOM 0 H GLU A 109 4.753 7.371 6.901 1.00 0.00 H new ATOM 0 HA GLU A 109 5.040 8.959 9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.375 8.663 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.800 10.053 7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.002 7.152 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.341 8.139 7.822 1.00 0.00 H new ATOM 1806 N GLU A 110 3.785 10.550 6.605 1.00 0.00 N ATOM 1807 CA GLU A 110 3.080 11.756 6.222 1.00 0.00 C ATOM 1808 C GLU A 110 1.724 11.869 6.930 1.00 0.00 C ATOM 1809 O GLU A 110 1.314 12.957 7.325 1.00 0.00 O ATOM 1810 CB GLU A 110 2.912 11.787 4.702 1.00 0.00 C ATOM 1811 CG GLU A 110 4.186 12.182 3.966 1.00 0.00 C ATOM 1812 CD GLU A 110 4.018 12.227 2.460 1.00 0.00 C ATOM 1813 OE1 GLU A 110 3.408 13.189 1.950 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.517 11.312 1.773 1.00 0.00 O ATOM 0 H GLU A 110 3.828 9.840 5.874 1.00 0.00 H new ATOM 0 HA GLU A 110 3.671 12.617 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.591 10.804 4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.119 12.489 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.512 13.161 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.976 11.474 4.216 1.00 0.00 H new ATOM 1821 N ILE A 111 1.044 10.740 7.103 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.290 10.726 7.702 1.00 0.00 C ATOM 1823 C ILE A 111 -0.255 11.003 9.209 1.00 0.00 C ATOM 1824 O ILE A 111 -0.987 11.863 9.699 1.00 0.00 O ATOM 1825 CB ILE A 111 -1.004 9.374 7.459 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.260 9.161 5.966 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.314 9.309 8.233 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.888 7.818 5.639 1.00 0.00 C ATOM 0 H ILE A 111 1.394 9.820 6.837 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.845 11.527 7.214 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.352 8.578 7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.912 9.955 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.316 9.251 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.799 8.351 8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.112 9.413 9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.970 10.116 7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.039 7.740 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.228 7.017 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.848 7.732 6.148 1.00 0.00 H new ATOM 1840 N GLU A 112 0.610 10.291 9.934 1.00 0.00 N ATOM 1841 CA GLU A 112 0.605 10.319 11.390 1.00 0.00 C ATOM 1842 C GLU A 112 0.752 11.729 11.957 1.00 0.00 C ATOM 1843 O GLU A 112 0.107 12.074 12.950 1.00 0.00 O ATOM 1844 CB GLU A 112 1.734 9.453 11.933 1.00 0.00 C ATOM 1845 CG GLU A 112 1.531 7.961 11.746 1.00 0.00 C ATOM 1846 CD GLU A 112 2.568 7.151 12.496 1.00 0.00 C ATOM 1847 OE1 GLU A 112 3.730 7.599 12.579 1.00 0.00 O ATOM 1848 OE2 GLU A 112 2.226 6.064 13.015 1.00 0.00 O ATOM 0 H GLU A 112 1.325 9.686 9.530 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.365 9.932 11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.664 9.744 11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.854 9.660 12.997 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.535 7.684 12.091 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.579 7.718 10.684 1.00 0.00 H new ATOM 1855 N LYS A 113 1.592 12.541 11.334 1.00 0.00 N ATOM 1856 CA LYS A 113 1.899 13.860 11.877 1.00 0.00 C ATOM 1857 C LYS A 113 1.061 14.943 11.203 1.00 0.00 C ATOM 1858 O LYS A 113 1.305 16.135 11.395 1.00 0.00 O ATOM 1859 CB LYS A 113 3.397 14.198 11.734 1.00 0.00 C ATOM 1860 CG LYS A 113 4.265 13.080 11.161 1.00 0.00 C ATOM 1861 CD LYS A 113 4.461 11.926 12.140 1.00 0.00 C ATOM 1862 CE LYS A 113 5.305 10.824 11.517 1.00 0.00 C ATOM 1863 NZ LYS A 113 5.464 9.648 12.410 1.00 0.00 N ATOM 0 H LYS A 113 2.070 12.316 10.461 1.00 0.00 H new ATOM 0 HA LYS A 113 1.651 13.831 12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.495 15.076 11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.786 14.472 12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.807 12.702 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.238 13.486 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.944 12.291 13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.491 11.525 12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.845 10.505 10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.289 11.222 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.167 8.997 12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 5.785 9.965 13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.552 9.158 12.504 1.00 0.00 H new ATOM 1877 N LYS A 114 0.069 14.539 10.425 1.00 0.00 N ATOM 1878 CA LYS A 114 -0.762 15.504 9.728 1.00 0.00 C ATOM 1879 C LYS A 114 -2.108 15.661 10.425 1.00 0.00 C ATOM 1880 O LYS A 114 -3.016 14.847 10.249 1.00 0.00 O ATOM 1881 CB LYS A 114 -0.973 15.101 8.268 1.00 0.00 C ATOM 1882 CG LYS A 114 -0.779 16.236 7.261 1.00 0.00 C ATOM 1883 CD LYS A 114 -1.637 17.462 7.563 1.00 0.00 C ATOM 1884 CE LYS A 114 -0.945 18.414 8.532 1.00 0.00 C ATOM 1885 NZ LYS A 114 -1.810 19.565 8.901 1.00 0.00 N ATOM 0 H LYS A 114 -0.177 13.563 10.262 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.241 16.461 9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.282 14.294 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.981 14.702 8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.271 16.529 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.017 15.871 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.859 17.987 6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.590 17.143 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.662 17.870 9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.024 18.783 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.220 20.407 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.485 19.752 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.331 19.342 9.773 1.00 0.00 H new ATOM 1899 N ASN A 115 -2.220 16.704 11.231 1.00 0.00 N ATOM 1900 CA ASN A 115 -3.474 17.044 11.881 1.00 0.00 C ATOM 1901 C ASN A 115 -4.338 17.878 10.944 1.00 0.00 C ATOM 1902 O ASN A 115 -3.848 18.915 10.448 1.00 0.00 O ATOM 1903 CB ASN A 115 -3.213 17.788 13.197 1.00 0.00 C ATOM 1904 CG ASN A 115 -2.385 19.049 13.016 1.00 0.00 C ATOM 1905 OD1 ASN A 115 -1.157 18.988 12.930 1.00 0.00 O ATOM 1906 ND2 ASN A 115 -3.041 20.197 12.991 1.00 0.00 N ATOM 1907 OXT ASN A 115 -5.494 17.489 10.695 1.00 0.00 O ATOM 0 H ASN A 115 -1.450 17.335 11.452 1.00 0.00 H new ATOM 0 HA ASN A 115 -4.010 16.125 12.117 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.167 18.050 13.655 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.700 17.120 13.889 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -2.530 21.075 12.898 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.058 20.205 13.065 1.00 0.00 H new TER 1914 ASN A 115 HETATM 1915 ZN ZN A 300 1.163 1.043 -2.094 1.00 0.00 ZN HETATM 1916 ZN ZN A 400 0.351 3.559 1.119 1.00 0.00 ZN