USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 964 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 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 100 HIS HE2 : A 100 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 87 GLN : amide:sc= 0.846 K(o=0.62,f=0.054) USER MOD Set 1.2: A 89 ASN : amide:sc= -0.223 K(o=0.62,f=0.054) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.115 K(o=-0.15,f=-3.9!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 167:sc= -0.0366 (180deg=-0.232) USER MOD Set 3.1: A 37 ASN : amide:sc= -0.597 K(o=0.16,f=-8.5!) USER MOD Set 3.2: A 81 HIS : no HE2:sc= 0.758 K(o=0.16,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.15 (180deg=-0.243) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.62) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc=-0.00407 (180deg=-0.0974) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 1.74 (180deg=1.51) USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 1.12 (180deg=1.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.67 X(o=-0.67,f=-0.84) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 1.1 (180deg=0.523) USER MOD Single : A 46 GLN : amide:sc= -0.0735 X(o=-0.074,f=-0.57) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.0266 (180deg=-0.257) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0314 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -140:sc= 1.25 (180deg=1.08) USER MOD Single : A 60 ASN : amide:sc= -0.228 K(o=-0.23,f=-7.4!) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 0.0318 (180deg=-0.00536) USER MOD Single : A 65 GLN : amide:sc= -0.176 K(o=-0.18,f=-4.6!) USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 1.18 (180deg=0.961) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -88:sc= 1.26 USER MOD Single : A 86 LYS NZ :NH3+ -111:sc= 0.692 (180deg=-0.073) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 99 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.23) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.82) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 156:sc= 0.96 (180deg=-0.609!) USER MOD Single : A 115 ASN : amide:sc= 0.176 K(o=0.18,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.564 -18.965 -3.120 1.00 0.00 N ATOM 2 CA MET A 1 -11.631 -18.209 -3.989 1.00 0.00 C ATOM 3 C MET A 1 -11.986 -16.724 -3.999 1.00 0.00 C ATOM 4 O MET A 1 -11.423 -15.948 -4.767 1.00 0.00 O ATOM 5 CB MET A 1 -11.663 -18.766 -5.418 1.00 0.00 C ATOM 6 CG MET A 1 -13.004 -18.602 -6.116 1.00 0.00 C ATOM 7 SD MET A 1 -13.032 -19.333 -7.766 1.00 0.00 S ATOM 8 CE MET A 1 -14.701 -18.931 -8.282 1.00 0.00 C ATOM 0 H1 MET A 1 -12.393 -19.985 -3.231 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.410 -18.695 -2.128 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.544 -18.747 -3.390 1.00 0.00 H new ATOM 0 HA MET A 1 -10.624 -18.322 -3.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.894 -18.268 -6.009 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.407 -19.825 -5.390 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.783 -19.061 -5.508 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.242 -17.541 -6.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.874 -19.317 -9.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.414 -19.383 -7.592 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.831 -17.849 -8.282 1.00 0.00 H new ATOM 20 N ASP A 2 -12.917 -16.330 -3.137 1.00 0.00 N ATOM 21 CA ASP A 2 -13.400 -14.953 -3.106 1.00 0.00 C ATOM 22 C ASP A 2 -12.849 -14.197 -1.905 1.00 0.00 C ATOM 23 O ASP A 2 -13.043 -12.990 -1.781 1.00 0.00 O ATOM 24 CB ASP A 2 -14.929 -14.935 -3.064 1.00 0.00 C ATOM 25 CG ASP A 2 -15.492 -15.602 -1.820 1.00 0.00 C ATOM 26 OD1 ASP A 2 -15.356 -16.838 -1.694 1.00 0.00 O ATOM 27 OD2 ASP A 2 -16.068 -14.898 -0.966 1.00 0.00 O ATOM 0 H ASP A 2 -13.353 -16.945 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.051 -14.457 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.277 -13.903 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.318 -15.439 -3.949 1.00 0.00 H new ATOM 32 N GLU A 3 -12.148 -14.904 -1.035 1.00 0.00 N ATOM 33 CA GLU A 3 -11.655 -14.320 0.206 1.00 0.00 C ATOM 34 C GLU A 3 -10.422 -13.454 -0.034 1.00 0.00 C ATOM 35 O GLU A 3 -9.357 -13.965 -0.381 1.00 0.00 O ATOM 36 CB GLU A 3 -11.326 -15.424 1.208 1.00 0.00 C ATOM 37 CG GLU A 3 -12.522 -16.277 1.590 1.00 0.00 C ATOM 38 CD GLU A 3 -12.115 -17.546 2.306 1.00 0.00 C ATOM 39 OE1 GLU A 3 -11.891 -17.499 3.533 1.00 0.00 O ATOM 40 OE2 GLU A 3 -12.010 -18.597 1.642 1.00 0.00 O ATOM 0 H GLU A 3 -11.906 -15.886 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.441 -13.682 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.553 -16.066 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.910 -14.973 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.189 -15.699 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.085 -16.533 0.692 1.00 0.00 H new ATOM 47 N LEU A 4 -10.599 -12.139 0.118 1.00 0.00 N ATOM 48 CA LEU A 4 -9.500 -11.161 0.076 1.00 0.00 C ATOM 49 C LEU A 4 -8.904 -11.002 -1.322 1.00 0.00 C ATOM 50 O LEU A 4 -7.969 -10.229 -1.520 1.00 0.00 O ATOM 51 CB LEU A 4 -8.396 -11.514 1.085 1.00 0.00 C ATOM 52 CG LEU A 4 -8.683 -11.134 2.548 1.00 0.00 C ATOM 53 CD1 LEU A 4 -9.833 -11.951 3.125 1.00 0.00 C ATOM 54 CD2 LEU A 4 -7.430 -11.306 3.392 1.00 0.00 C ATOM 0 H LEU A 4 -11.514 -11.716 0.275 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.939 -10.203 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.215 -12.588 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.475 -11.021 0.775 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.982 -10.086 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.007 -11.655 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.735 -11.773 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.581 -13.011 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.647 -11.034 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.104 -12.345 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.640 -10.662 3.005 1.00 0.00 H new ATOM 66 N ARG A 5 -9.466 -11.709 -2.290 1.00 0.00 N ATOM 67 CA ARG A 5 -9.005 -11.620 -3.670 1.00 0.00 C ATOM 68 C ARG A 5 -9.309 -10.238 -4.250 1.00 0.00 C ATOM 69 O ARG A 5 -8.507 -9.674 -4.995 1.00 0.00 O ATOM 70 CB ARG A 5 -9.653 -12.727 -4.510 1.00 0.00 C ATOM 71 CG ARG A 5 -9.319 -12.671 -5.995 1.00 0.00 C ATOM 72 CD ARG A 5 -9.805 -13.920 -6.714 1.00 0.00 C ATOM 73 NE ARG A 5 -9.819 -13.756 -8.165 1.00 0.00 N ATOM 74 CZ ARG A 5 -9.608 -14.743 -9.036 1.00 0.00 C ATOM 75 NH1 ARG A 5 -9.254 -15.951 -8.611 1.00 0.00 N ATOM 76 NH2 ARG A 5 -9.732 -14.507 -10.338 1.00 0.00 N ATOM 0 H ARG A 5 -10.244 -12.353 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.924 -11.759 -3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.340 -13.694 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.735 -12.669 -4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.779 -11.789 -6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.242 -12.569 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.162 -14.760 -6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.809 -14.167 -6.369 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.002 -12.824 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.142 -16.128 -7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.094 -16.702 -9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.987 -13.575 -10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.572 -15.258 -11.010 1.00 0.00 H new ATOM 90 N GLU A 6 -10.462 -9.694 -3.882 1.00 0.00 N ATOM 91 CA GLU A 6 -10.870 -8.370 -4.339 1.00 0.00 C ATOM 92 C GLU A 6 -10.001 -7.288 -3.690 1.00 0.00 C ATOM 93 O GLU A 6 -9.662 -6.281 -4.315 1.00 0.00 O ATOM 94 CB GLU A 6 -12.347 -8.146 -3.995 1.00 0.00 C ATOM 95 CG GLU A 6 -12.900 -6.807 -4.451 1.00 0.00 C ATOM 96 CD GLU A 6 -12.911 -6.656 -5.957 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.746 -7.308 -6.621 1.00 0.00 O ATOM 98 OE2 GLU A 6 -12.113 -5.862 -6.483 1.00 0.00 O ATOM 0 H GLU A 6 -11.134 -10.151 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.739 -8.308 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.938 -8.943 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.473 -8.229 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.915 -6.691 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.303 -6.006 -4.015 1.00 0.00 H new ATOM 105 N LEU A 7 -9.629 -7.527 -2.439 1.00 0.00 N ATOM 106 CA LEU A 7 -8.860 -6.565 -1.651 1.00 0.00 C ATOM 107 C LEU A 7 -7.480 -6.323 -2.255 1.00 0.00 C ATOM 108 O LEU A 7 -6.917 -5.234 -2.126 1.00 0.00 O ATOM 109 CB LEU A 7 -8.698 -7.059 -0.204 1.00 0.00 C ATOM 110 CG LEU A 7 -9.940 -6.968 0.699 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.072 -7.848 0.190 1.00 0.00 C ATOM 112 CD2 LEU A 7 -9.577 -7.356 2.123 1.00 0.00 C ATOM 0 H LEU A 7 -9.850 -8.389 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.414 -5.626 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.374 -8.099 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.895 -6.488 0.263 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.289 -5.936 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.931 -7.756 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.355 -7.533 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.742 -8.887 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.462 -7.289 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.198 -8.378 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.810 -6.680 2.500 1.00 0.00 H new ATOM 124 N LEU A 8 -6.952 -7.337 -2.929 1.00 0.00 N ATOM 125 CA LEU A 8 -5.599 -7.293 -3.469 1.00 0.00 C ATOM 126 C LEU A 8 -5.404 -6.151 -4.465 1.00 0.00 C ATOM 127 O LEU A 8 -4.309 -5.608 -4.572 1.00 0.00 O ATOM 128 CB LEU A 8 -5.255 -8.628 -4.133 1.00 0.00 C ATOM 129 CG LEU A 8 -5.042 -9.794 -3.168 1.00 0.00 C ATOM 130 CD1 LEU A 8 -4.842 -11.094 -3.932 1.00 0.00 C ATOM 131 CD2 LEU A 8 -3.847 -9.521 -2.268 1.00 0.00 C ATOM 0 H LEU A 8 -7.447 -8.209 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.925 -7.111 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.056 -8.890 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.351 -8.498 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.933 -9.894 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.692 -11.911 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.723 -11.297 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.968 -11.006 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.706 -10.359 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.953 -9.396 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.024 -8.612 -1.694 1.00 0.00 H new ATOM 143 N LYS A 9 -6.466 -5.777 -5.172 1.00 0.00 N ATOM 144 CA LYS A 9 -6.365 -4.779 -6.236 1.00 0.00 C ATOM 145 C LYS A 9 -5.838 -3.445 -5.713 1.00 0.00 C ATOM 146 O LYS A 9 -4.961 -2.840 -6.324 1.00 0.00 O ATOM 147 CB LYS A 9 -7.723 -4.560 -6.901 1.00 0.00 C ATOM 148 CG LYS A 9 -8.272 -5.787 -7.605 1.00 0.00 C ATOM 149 CD LYS A 9 -9.587 -5.470 -8.298 1.00 0.00 C ATOM 150 CE LYS A 9 -10.174 -6.694 -8.978 1.00 0.00 C ATOM 151 NZ LYS A 9 -11.467 -6.388 -9.643 1.00 0.00 N ATOM 0 H LYS A 9 -7.405 -6.148 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.657 -5.166 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.438 -4.238 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.635 -3.748 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.548 -6.146 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.421 -6.590 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.298 -5.083 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.429 -4.684 -9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.467 -7.074 -9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.322 -7.483 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.837 -7.248 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.150 -6.049 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.321 -5.653 -10.364 1.00 0.00 H new ATOM 165 N ALA A 10 -6.361 -2.997 -4.578 1.00 0.00 N ATOM 166 CA ALA A 10 -5.967 -1.711 -4.013 1.00 0.00 C ATOM 167 C ALA A 10 -4.513 -1.740 -3.557 1.00 0.00 C ATOM 168 O ALA A 10 -3.761 -0.793 -3.795 1.00 0.00 O ATOM 169 CB ALA A 10 -6.885 -1.338 -2.858 1.00 0.00 C ATOM 0 H ALA A 10 -7.057 -3.503 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.060 -0.952 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.579 -0.376 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.912 -1.269 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.822 -2.101 -2.082 1.00 0.00 H new ATOM 175 N GLU A 11 -4.121 -2.835 -2.919 1.00 0.00 N ATOM 176 CA GLU A 11 -2.742 -3.009 -2.484 1.00 0.00 C ATOM 177 C GLU A 11 -1.816 -3.062 -3.703 1.00 0.00 C ATOM 178 O GLU A 11 -0.745 -2.458 -3.716 1.00 0.00 O ATOM 179 CB GLU A 11 -2.609 -4.289 -1.648 1.00 0.00 C ATOM 180 CG GLU A 11 -1.260 -4.450 -0.959 1.00 0.00 C ATOM 181 CD GLU A 11 -1.045 -3.459 0.173 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.906 -2.262 -0.075 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.983 -3.869 1.350 1.00 0.00 O ATOM 0 H GLU A 11 -4.738 -3.615 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.453 -2.162 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.394 -4.298 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.779 -5.150 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.178 -5.464 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.466 -4.328 -1.696 1.00 0.00 H new ATOM 190 N GLN A 12 -2.258 -3.774 -4.742 1.00 0.00 N ATOM 191 CA GLN A 12 -1.514 -3.867 -5.991 1.00 0.00 C ATOM 192 C GLN A 12 -1.396 -2.499 -6.660 1.00 0.00 C ATOM 193 O GLN A 12 -0.381 -2.188 -7.280 1.00 0.00 O ATOM 194 CB GLN A 12 -2.195 -4.850 -6.944 1.00 0.00 C ATOM 195 CG GLN A 12 -2.065 -6.307 -6.525 1.00 0.00 C ATOM 196 CD GLN A 12 -0.629 -6.802 -6.509 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.219 -6.340 -7.275 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.349 -7.752 -5.630 1.00 0.00 N ATOM 0 H GLN A 12 -3.134 -4.296 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.512 -4.228 -5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.253 -4.596 -7.017 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.769 -4.729 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.496 -6.432 -5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.648 -6.927 -7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.080 -8.108 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.597 -8.128 -5.569 1.00 0.00 H new ATOM 207 N GLN A 13 -2.439 -1.684 -6.527 1.00 0.00 N ATOM 208 CA GLN A 13 -2.438 -0.341 -7.070 1.00 0.00 C ATOM 209 C GLN A 13 -1.352 0.504 -6.421 1.00 0.00 C ATOM 210 O GLN A 13 -0.601 1.195 -7.111 1.00 0.00 O ATOM 211 CB GLN A 13 -3.807 0.302 -6.867 1.00 0.00 C ATOM 212 CG GLN A 13 -4.841 -0.118 -7.899 1.00 0.00 C ATOM 213 CD GLN A 13 -6.114 0.694 -7.795 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.036 0.341 -7.058 1.00 0.00 O ATOM 215 NE2 GLN A 13 -6.182 1.783 -8.543 1.00 0.00 N ATOM 0 H GLN A 13 -3.300 -1.939 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.228 -0.398 -8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.174 0.046 -5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.697 1.386 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.421 -0.006 -8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.074 -1.175 -7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.397 2.041 -9.140 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.020 2.364 -8.522 1.00 0.00 H new ATOM 224 N GLY A 14 -1.264 0.428 -5.099 1.00 0.00 N ATOM 225 CA GLY A 14 -0.216 1.131 -4.389 1.00 0.00 C ATOM 226 C GLY A 14 1.157 0.659 -4.816 1.00 0.00 C ATOM 227 O GLY A 14 2.042 1.468 -5.104 1.00 0.00 O ATOM 0 H GLY A 14 -1.899 -0.108 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.307 2.202 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.337 0.979 -3.316 1.00 0.00 H new ATOM 231 N ILE A 15 1.318 -0.659 -4.889 1.00 0.00 N ATOM 232 CA ILE A 15 2.570 -1.264 -5.330 1.00 0.00 C ATOM 233 C ILE A 15 2.924 -0.818 -6.747 1.00 0.00 C ATOM 234 O ILE A 15 4.077 -0.495 -7.028 1.00 0.00 O ATOM 235 CB ILE A 15 2.498 -2.810 -5.275 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.305 -3.277 -3.829 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.753 -3.436 -5.875 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.144 -4.777 -3.685 1.00 0.00 C ATOM 0 H ILE A 15 0.591 -1.332 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 15 3.349 -0.926 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 15 1.643 -3.136 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.161 -2.955 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.426 -2.785 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.678 -4.522 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.852 -3.127 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.628 -3.106 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.012 -5.029 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.271 -5.105 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.033 -5.277 -4.069 1.00 0.00 H new ATOM 250 N LYS A 16 1.927 -0.789 -7.630 1.00 0.00 N ATOM 251 CA LYS A 16 2.137 -0.371 -9.015 1.00 0.00 C ATOM 252 C LYS A 16 2.723 1.036 -9.073 1.00 0.00 C ATOM 253 O LYS A 16 3.694 1.283 -9.789 1.00 0.00 O ATOM 254 CB LYS A 16 0.828 -0.407 -9.808 1.00 0.00 C ATOM 255 CG LYS A 16 1.001 -0.003 -11.266 1.00 0.00 C ATOM 256 CD LYS A 16 -0.333 0.184 -11.976 1.00 0.00 C ATOM 257 CE LYS A 16 -0.122 0.638 -13.413 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.403 0.948 -14.099 1.00 0.00 N ATOM 0 H LYS A 16 0.966 -1.050 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 16 2.840 -1.073 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.411 -1.413 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.106 0.259 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.571 0.925 -11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.583 -0.765 -11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.891 -0.752 -11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.934 0.920 -11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.516 1.522 -13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.404 -0.141 -13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.210 1.253 -15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.003 0.099 -14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.894 1.710 -13.589 1.00 0.00 H new ATOM 272 N ILE A 17 2.134 1.951 -8.311 1.00 0.00 N ATOM 273 CA ILE A 17 2.611 3.326 -8.277 1.00 0.00 C ATOM 274 C ILE A 17 4.027 3.383 -7.708 1.00 0.00 C ATOM 275 O ILE A 17 4.882 4.101 -8.223 1.00 0.00 O ATOM 276 CB ILE A 17 1.684 4.241 -7.445 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.234 4.111 -7.922 1.00 0.00 C ATOM 278 CG2 ILE A 17 2.147 5.688 -7.550 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.753 4.896 -7.085 1.00 0.00 C ATOM 0 H ILE A 17 1.330 1.766 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 17 2.611 3.691 -9.304 1.00 0.00 H new ATOM 0 HB ILE A 17 1.733 3.930 -6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.169 4.448 -8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.050 3.059 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.487 6.325 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.166 5.772 -7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.119 6.004 -8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.759 4.756 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.717 4.543 -6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.495 5.955 -7.115 1.00 0.00 H new ATOM 291 N LEU A 18 4.273 2.597 -6.662 1.00 0.00 N ATOM 292 CA LEU A 18 5.598 2.517 -6.051 1.00 0.00 C ATOM 293 C LEU A 18 6.641 2.090 -7.087 1.00 0.00 C ATOM 294 O LEU A 18 7.743 2.636 -7.134 1.00 0.00 O ATOM 295 CB LEU A 18 5.588 1.523 -4.882 1.00 0.00 C ATOM 296 CG LEU A 18 4.655 1.875 -3.715 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.678 0.770 -2.671 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.044 3.204 -3.081 1.00 0.00 C ATOM 0 H LEU A 18 3.570 2.005 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 18 5.861 3.505 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.305 0.543 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.604 1.434 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 18 3.644 1.971 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.012 1.032 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.346 -0.165 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.693 0.649 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.365 3.427 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.065 3.142 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.981 3.996 -3.828 1.00 0.00 H new ATOM 310 N LYS A 19 6.267 1.126 -7.926 1.00 0.00 N ATOM 311 CA LYS A 19 7.139 0.627 -8.991 1.00 0.00 C ATOM 312 C LYS A 19 7.489 1.740 -9.978 1.00 0.00 C ATOM 313 O LYS A 19 8.610 1.808 -10.489 1.00 0.00 O ATOM 314 CB LYS A 19 6.454 -0.524 -9.734 1.00 0.00 C ATOM 315 CG LYS A 19 6.186 -1.739 -8.860 1.00 0.00 C ATOM 316 CD LYS A 19 5.126 -2.644 -9.466 1.00 0.00 C ATOM 317 CE LYS A 19 5.586 -3.280 -10.768 1.00 0.00 C ATOM 318 NZ LYS A 19 6.696 -4.246 -10.555 1.00 0.00 N ATOM 0 H LYS A 19 5.356 0.670 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 19 8.061 0.267 -8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.510 -0.168 -10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.077 -0.823 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.110 -2.301 -8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.864 -1.412 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.869 -3.427 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.219 -2.067 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.746 -3.791 -11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.911 -2.501 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.854 -4.791 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.564 -3.729 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.448 -4.895 -9.781 1.00 0.00 H new ATOM 332 N GLU A 20 6.523 2.609 -10.246 1.00 0.00 N ATOM 333 CA GLU A 20 6.734 3.732 -11.149 1.00 0.00 C ATOM 334 C GLU A 20 7.593 4.799 -10.483 1.00 0.00 C ATOM 335 O GLU A 20 8.504 5.356 -11.102 1.00 0.00 O ATOM 336 CB GLU A 20 5.392 4.332 -11.584 1.00 0.00 C ATOM 337 CG GLU A 20 4.506 3.354 -12.335 1.00 0.00 C ATOM 338 CD GLU A 20 5.173 2.811 -13.581 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.957 1.847 -13.467 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.924 3.353 -14.680 1.00 0.00 O ATOM 0 H GLU A 20 5.584 2.557 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 20 7.256 3.365 -12.033 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.860 4.689 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.579 5.200 -12.216 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.244 2.526 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.575 3.849 -12.611 1.00 0.00 H new ATOM 347 N VAL A 21 7.311 5.054 -9.213 1.00 0.00 N ATOM 348 CA VAL A 21 8.042 6.048 -8.439 1.00 0.00 C ATOM 349 C VAL A 21 9.531 5.710 -8.367 1.00 0.00 C ATOM 350 O VAL A 21 10.373 6.598 -8.474 1.00 0.00 O ATOM 351 CB VAL A 21 7.469 6.175 -7.009 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.355 7.052 -6.144 1.00 0.00 C ATOM 353 CG2 VAL A 21 6.054 6.732 -7.046 1.00 0.00 C ATOM 0 H VAL A 21 6.573 4.580 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 21 7.924 7.003 -8.951 1.00 0.00 H new ATOM 0 HB VAL A 21 7.441 5.178 -6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.929 7.125 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.352 6.615 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.422 8.047 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.668 6.814 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.063 7.718 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.415 6.064 -7.624 1.00 0.00 H new ATOM 363 N LEU A 22 9.847 4.428 -8.212 1.00 0.00 N ATOM 364 CA LEU A 22 11.239 3.985 -8.135 1.00 0.00 C ATOM 365 C LEU A 22 12.034 4.456 -9.351 1.00 0.00 C ATOM 366 O LEU A 22 13.158 4.941 -9.222 1.00 0.00 O ATOM 367 CB LEU A 22 11.312 2.460 -8.027 1.00 0.00 C ATOM 368 CG LEU A 22 10.816 1.876 -6.704 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.804 0.358 -6.768 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.694 2.351 -5.555 1.00 0.00 C ATOM 0 H LEU A 22 9.161 3.677 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 22 11.679 4.427 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.728 2.026 -8.839 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.346 2.150 -8.177 1.00 0.00 H new ATOM 0 HG LEU A 22 9.798 2.224 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.449 -0.043 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.142 0.033 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.813 -0.006 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.329 1.928 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.721 2.027 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.661 3.439 -5.498 1.00 0.00 H new ATOM 382 N LYS A 23 11.437 4.328 -10.529 1.00 0.00 N ATOM 383 CA LYS A 23 12.094 4.741 -11.760 1.00 0.00 C ATOM 384 C LYS A 23 12.162 6.261 -11.858 1.00 0.00 C ATOM 385 O LYS A 23 13.198 6.829 -12.205 1.00 0.00 O ATOM 386 CB LYS A 23 11.363 4.169 -12.975 1.00 0.00 C ATOM 387 CG LYS A 23 11.426 2.653 -13.065 1.00 0.00 C ATOM 388 CD LYS A 23 10.776 2.140 -14.342 1.00 0.00 C ATOM 389 CE LYS A 23 9.271 2.359 -14.339 1.00 0.00 C ATOM 390 NZ LYS A 23 8.594 1.562 -13.284 1.00 0.00 N ATOM 0 H LYS A 23 10.501 3.942 -10.657 1.00 0.00 H new ATOM 0 HA LYS A 23 13.112 4.351 -11.745 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.319 4.479 -12.940 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.792 4.597 -13.881 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.466 2.329 -13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.926 2.216 -12.201 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.215 2.646 -15.202 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.988 1.077 -14.456 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.059 3.417 -14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.864 2.090 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.564 1.606 -13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.909 0.572 -13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.834 1.949 -12.349 1.00 0.00 H new ATOM 404 N LYS A 24 11.056 6.916 -11.528 1.00 0.00 N ATOM 405 CA LYS A 24 10.957 8.364 -11.663 1.00 0.00 C ATOM 406 C LYS A 24 11.830 9.091 -10.643 1.00 0.00 C ATOM 407 O LYS A 24 12.293 10.203 -10.899 1.00 0.00 O ATOM 408 CB LYS A 24 9.501 8.815 -11.533 1.00 0.00 C ATOM 409 CG LYS A 24 8.588 8.253 -12.620 1.00 0.00 C ATOM 410 CD LYS A 24 9.133 8.521 -14.020 1.00 0.00 C ATOM 411 CE LYS A 24 9.265 10.007 -14.301 1.00 0.00 C ATOM 412 NZ LYS A 24 7.944 10.678 -14.421 1.00 0.00 N ATOM 0 H LYS A 24 10.215 6.468 -11.165 1.00 0.00 H new ATOM 0 HA LYS A 24 11.323 8.625 -12.656 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.121 8.511 -10.558 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.462 9.904 -11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.472 7.179 -12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.597 8.697 -12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.107 8.043 -14.128 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.472 8.069 -14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.837 10.476 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.829 10.152 -15.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.085 11.693 -14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.413 10.261 -15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.408 10.550 -13.539 1.00 0.00 H new ATOM 426 N ALA A 25 12.056 8.459 -9.499 1.00 0.00 N ATOM 427 CA ALA A 25 12.904 9.028 -8.459 1.00 0.00 C ATOM 428 C ALA A 25 14.368 8.997 -8.875 1.00 0.00 C ATOM 429 O ALA A 25 15.132 9.909 -8.561 1.00 0.00 O ATOM 430 CB ALA A 25 12.706 8.288 -7.147 1.00 0.00 C ATOM 0 H ALA A 25 11.662 7.547 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 25 12.615 10.069 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.347 8.726 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.664 8.369 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.965 7.237 -7.279 1.00 0.00 H new ATOM 436 N LYS A 26 14.760 7.942 -9.586 1.00 0.00 N ATOM 437 CA LYS A 26 16.117 7.846 -10.110 1.00 0.00 C ATOM 438 C LYS A 26 16.304 8.826 -11.266 1.00 0.00 C ATOM 439 O LYS A 26 17.398 9.350 -11.487 1.00 0.00 O ATOM 440 CB LYS A 26 16.425 6.415 -10.559 1.00 0.00 C ATOM 441 CG LYS A 26 17.814 6.255 -11.160 1.00 0.00 C ATOM 442 CD LYS A 26 18.173 4.798 -11.395 1.00 0.00 C ATOM 443 CE LYS A 26 18.367 4.049 -10.084 1.00 0.00 C ATOM 444 NZ LYS A 26 18.898 2.679 -10.301 1.00 0.00 N ATOM 0 H LYS A 26 14.161 7.148 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 26 16.816 8.107 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.328 5.745 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.682 6.105 -11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.864 6.797 -12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.550 6.706 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.385 4.318 -11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.086 4.739 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.052 4.607 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.415 3.990 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.016 2.203 -9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.233 2.138 -10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.818 2.736 -10.782 1.00 0.00 H new ATOM 458 N GLU A 27 15.227 9.066 -12.005 1.00 0.00 N ATOM 459 CA GLU A 27 15.232 10.056 -13.077 1.00 0.00 C ATOM 460 C GLU A 27 15.323 11.463 -12.499 1.00 0.00 C ATOM 461 O GLU A 27 15.884 12.365 -13.117 1.00 0.00 O ATOM 462 CB GLU A 27 13.971 9.925 -13.934 1.00 0.00 C ATOM 463 CG GLU A 27 13.903 8.633 -14.732 1.00 0.00 C ATOM 464 CD GLU A 27 14.898 8.597 -15.875 1.00 0.00 C ATOM 465 OE1 GLU A 27 16.073 8.251 -15.641 1.00 0.00 O ATOM 466 OE2 GLU A 27 14.502 8.913 -17.013 1.00 0.00 O ATOM 0 H GLU A 27 14.335 8.587 -11.881 1.00 0.00 H new ATOM 0 HA GLU A 27 16.104 9.875 -13.706 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.096 9.988 -13.288 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.921 10.769 -14.622 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.090 7.790 -14.067 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.895 8.509 -15.129 1.00 0.00 H new ATOM 473 N GLY A 28 14.768 11.640 -11.307 1.00 0.00 N ATOM 474 CA GLY A 28 14.798 12.934 -10.655 1.00 0.00 C ATOM 475 C GLY A 28 13.639 13.809 -11.074 1.00 0.00 C ATOM 476 O GLY A 28 13.759 15.034 -11.128 1.00 0.00 O ATOM 0 H GLY A 28 14.296 10.907 -10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.775 12.795 -9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.736 13.437 -10.892 1.00 0.00 H new ATOM 480 N ASP A 29 12.511 13.184 -11.375 1.00 0.00 N ATOM 481 CA ASP A 29 11.329 13.918 -11.799 1.00 0.00 C ATOM 482 C ASP A 29 10.397 14.149 -10.615 1.00 0.00 C ATOM 483 O ASP A 29 9.417 13.429 -10.421 1.00 0.00 O ATOM 484 CB ASP A 29 10.608 13.172 -12.925 1.00 0.00 C ATOM 485 CG ASP A 29 9.403 13.924 -13.455 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.352 15.166 -13.312 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.509 13.275 -14.036 1.00 0.00 O ATOM 0 H ASP A 29 12.389 12.172 -11.334 1.00 0.00 H new ATOM 0 HA ASP A 29 11.641 14.889 -12.184 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.307 12.995 -13.742 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.289 12.195 -12.561 1.00 0.00 H new ATOM 492 N GLU A 30 10.727 15.157 -9.820 1.00 0.00 N ATOM 493 CA GLU A 30 10.000 15.450 -8.591 1.00 0.00 C ATOM 494 C GLU A 30 8.599 15.986 -8.883 1.00 0.00 C ATOM 495 O GLU A 30 7.706 15.908 -8.036 1.00 0.00 O ATOM 496 CB GLU A 30 10.793 16.458 -7.758 1.00 0.00 C ATOM 497 CG GLU A 30 12.176 15.956 -7.360 1.00 0.00 C ATOM 498 CD GLU A 30 13.031 17.026 -6.709 1.00 0.00 C ATOM 499 OE1 GLU A 30 12.950 17.197 -5.475 1.00 0.00 O ATOM 500 OE2 GLU A 30 13.804 17.691 -7.431 1.00 0.00 O ATOM 0 H GLU A 30 11.503 15.793 -10.007 1.00 0.00 H new ATOM 0 HA GLU A 30 9.885 14.523 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.899 17.383 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.228 16.699 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.068 15.117 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.688 15.579 -8.245 1.00 0.00 H new ATOM 507 N GLN A 31 8.405 16.511 -10.087 1.00 0.00 N ATOM 508 CA GLN A 31 7.120 17.058 -10.485 1.00 0.00 C ATOM 509 C GLN A 31 6.058 15.962 -10.516 1.00 0.00 C ATOM 510 O GLN A 31 4.961 16.128 -9.977 1.00 0.00 O ATOM 511 CB GLN A 31 7.233 17.725 -11.858 1.00 0.00 C ATOM 512 CG GLN A 31 7.948 19.075 -11.854 1.00 0.00 C ATOM 513 CD GLN A 31 9.409 18.987 -11.448 1.00 0.00 C ATOM 514 OE1 GLN A 31 9.751 19.114 -10.270 1.00 0.00 O ATOM 515 NE2 GLN A 31 10.281 18.777 -12.420 1.00 0.00 N ATOM 0 H GLN A 31 9.127 16.568 -10.805 1.00 0.00 H new ATOM 0 HA GLN A 31 6.821 17.808 -9.753 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.762 17.051 -12.532 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.231 17.861 -12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.882 19.515 -12.849 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.430 19.749 -11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.958 18.677 -13.382 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.277 18.715 -12.207 1.00 0.00 H new ATOM 524 N GLU A 32 6.388 14.842 -11.146 1.00 0.00 N ATOM 525 CA GLU A 32 5.506 13.681 -11.157 1.00 0.00 C ATOM 526 C GLU A 32 5.468 13.020 -9.788 1.00 0.00 C ATOM 527 O GLU A 32 4.416 12.566 -9.347 1.00 0.00 O ATOM 528 CB GLU A 32 5.958 12.669 -12.211 1.00 0.00 C ATOM 529 CG GLU A 32 5.445 12.966 -13.610 1.00 0.00 C ATOM 530 CD GLU A 32 3.989 12.595 -13.794 1.00 0.00 C ATOM 531 OE1 GLU A 32 3.697 11.386 -13.938 1.00 0.00 O ATOM 532 OE2 GLU A 32 3.136 13.503 -13.820 1.00 0.00 O ATOM 0 H GLU A 32 7.261 14.712 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 32 4.503 14.025 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.047 12.643 -12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.621 11.676 -11.915 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.574 14.028 -13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.048 12.421 -14.336 1.00 0.00 H new ATOM 539 N LEU A 33 6.617 12.978 -9.120 1.00 0.00 N ATOM 540 CA LEU A 33 6.730 12.336 -7.815 1.00 0.00 C ATOM 541 C LEU A 33 5.753 12.939 -6.812 1.00 0.00 C ATOM 542 O LEU A 33 5.125 12.217 -6.041 1.00 0.00 O ATOM 543 CB LEU A 33 8.159 12.450 -7.285 1.00 0.00 C ATOM 544 CG LEU A 33 9.192 11.604 -8.025 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.589 11.880 -7.493 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.849 10.128 -7.904 1.00 0.00 C ATOM 0 H LEU A 33 7.487 13.384 -9.464 1.00 0.00 H new ATOM 0 HA LEU A 33 6.479 11.283 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.466 13.495 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.164 12.164 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 33 9.173 11.876 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.311 11.268 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.830 12.934 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.629 11.637 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.594 9.537 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.842 9.841 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.865 9.946 -8.336 1.00 0.00 H new ATOM 558 N ALA A 34 5.618 14.262 -6.832 1.00 0.00 N ATOM 559 CA ALA A 34 4.692 14.949 -5.936 1.00 0.00 C ATOM 560 C ALA A 34 3.254 14.505 -6.189 1.00 0.00 C ATOM 561 O ALA A 34 2.489 14.273 -5.251 1.00 0.00 O ATOM 562 CB ALA A 34 4.823 16.458 -6.100 1.00 0.00 C ATOM 0 H ALA A 34 6.137 14.879 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 34 4.949 14.684 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.127 16.959 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.842 16.763 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.593 16.733 -7.129 1.00 0.00 H new ATOM 568 N ARG A 35 2.895 14.380 -7.459 1.00 0.00 N ATOM 569 CA ARG A 35 1.559 13.962 -7.837 1.00 0.00 C ATOM 570 C ARG A 35 1.343 12.484 -7.527 1.00 0.00 C ATOM 571 O ARG A 35 0.303 12.097 -6.996 1.00 0.00 O ATOM 572 CB ARG A 35 1.332 14.224 -9.321 1.00 0.00 C ATOM 573 CG ARG A 35 -0.127 14.401 -9.670 1.00 0.00 C ATOM 574 CD ARG A 35 -0.315 14.708 -11.142 1.00 0.00 C ATOM 575 NE ARG A 35 0.469 15.865 -11.563 1.00 0.00 N ATOM 576 CZ ARG A 35 0.357 16.445 -12.751 1.00 0.00 C ATOM 577 NH1 ARG A 35 -0.577 16.044 -13.608 1.00 0.00 N ATOM 578 NH2 ARG A 35 1.164 17.448 -13.062 1.00 0.00 N ATOM 0 H ARG A 35 3.517 14.564 -8.246 1.00 0.00 H new ATOM 0 HA ARG A 35 0.841 14.541 -7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.882 15.118 -9.615 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.740 13.394 -9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.676 13.495 -9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.549 15.209 -9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.026 13.839 -11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.370 14.893 -11.342 1.00 0.00 H new ATOM 0 HE ARG A 35 1.144 16.251 -10.903 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.212 15.287 -13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.659 16.493 -14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.863 17.767 -12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.087 17.901 -13.973 1.00 0.00 H new ATOM 592 N LEU A 36 2.336 11.665 -7.854 1.00 0.00 N ATOM 593 CA LEU A 36 2.272 10.235 -7.585 1.00 0.00 C ATOM 594 C LEU A 36 2.142 9.979 -6.091 1.00 0.00 C ATOM 595 O LEU A 36 1.408 9.089 -5.670 1.00 0.00 O ATOM 596 CB LEU A 36 3.516 9.525 -8.130 1.00 0.00 C ATOM 597 CG LEU A 36 3.660 9.541 -9.654 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.955 8.864 -10.075 1.00 0.00 C ATOM 599 CD2 LEU A 36 2.466 8.858 -10.307 1.00 0.00 C ATOM 0 H LEU A 36 3.198 11.969 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 36 1.392 9.835 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.400 9.989 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.500 8.488 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 36 3.691 10.579 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.040 8.885 -11.161 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.801 9.391 -9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.953 7.830 -9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.583 8.878 -11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.408 7.824 -9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.551 9.383 -10.032 1.00 0.00 H new ATOM 611 N ASN A 37 2.851 10.778 -5.301 1.00 0.00 N ATOM 612 CA ASN A 37 2.792 10.690 -3.845 1.00 0.00 C ATOM 613 C ASN A 37 1.345 10.840 -3.373 1.00 0.00 C ATOM 614 O ASN A 37 0.856 10.043 -2.573 1.00 0.00 O ATOM 615 CB ASN A 37 3.680 11.779 -3.226 1.00 0.00 C ATOM 616 CG ASN A 37 3.921 11.601 -1.738 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.074 11.099 -1.010 1.00 0.00 O ATOM 618 ND2 ASN A 37 5.096 12.005 -1.279 1.00 0.00 N ATOM 0 H ASN A 37 3.480 11.502 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 37 3.160 9.715 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.640 11.788 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.218 12.751 -3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.320 11.902 -0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.777 12.419 -1.915 1.00 0.00 H new ATOM 625 N GLN A 38 0.667 11.857 -3.894 1.00 0.00 N ATOM 626 CA GLN A 38 -0.728 12.099 -3.597 1.00 0.00 C ATOM 627 C GLN A 38 -1.603 10.918 -4.030 1.00 0.00 C ATOM 628 O GLN A 38 -2.500 10.497 -3.298 1.00 0.00 O ATOM 629 CB GLN A 38 -1.145 13.373 -4.321 1.00 0.00 C ATOM 630 CG GLN A 38 -2.479 13.928 -3.890 1.00 0.00 C ATOM 631 CD GLN A 38 -3.606 13.610 -4.857 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.608 12.578 -5.523 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.579 14.502 -4.943 1.00 0.00 N ATOM 0 H GLN A 38 1.077 12.535 -4.536 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.862 12.213 -2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.381 14.133 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.178 13.173 -5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.730 13.529 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.397 15.010 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.546 15.349 -4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.362 14.343 -5.577 1.00 0.00 H new ATOM 642 N GLU A 39 -1.327 10.390 -5.217 1.00 0.00 N ATOM 643 CA GLU A 39 -2.116 9.294 -5.771 1.00 0.00 C ATOM 644 C GLU A 39 -1.934 8.022 -4.946 1.00 0.00 C ATOM 645 O GLU A 39 -2.869 7.239 -4.786 1.00 0.00 O ATOM 646 CB GLU A 39 -1.734 9.046 -7.234 1.00 0.00 C ATOM 647 CG GLU A 39 -2.685 8.109 -7.963 1.00 0.00 C ATOM 648 CD GLU A 39 -4.111 8.624 -7.980 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.387 9.600 -8.710 1.00 0.00 O ATOM 650 OE2 GLU A 39 -4.967 8.045 -7.282 1.00 0.00 O ATOM 0 H GLU A 39 -0.562 10.703 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.168 9.576 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.704 10.000 -7.760 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.727 8.630 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.340 7.972 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.662 7.130 -7.485 1.00 0.00 H new ATOM 657 N ILE A 40 -0.728 7.826 -4.418 1.00 0.00 N ATOM 658 CA ILE A 40 -0.460 6.699 -3.533 1.00 0.00 C ATOM 659 C ILE A 40 -1.401 6.739 -2.339 1.00 0.00 C ATOM 660 O ILE A 40 -2.013 5.732 -1.990 1.00 0.00 O ATOM 661 CB ILE A 40 1.003 6.691 -3.027 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.969 6.509 -4.199 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.212 5.589 -1.994 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.429 6.599 -3.811 1.00 0.00 C ATOM 0 H ILE A 40 0.075 8.431 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.623 5.790 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 40 1.205 7.650 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.785 5.539 -4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.756 7.267 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.247 5.602 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.548 5.755 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.991 4.621 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.050 6.460 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.630 7.578 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.660 5.824 -3.080 1.00 0.00 H new ATOM 676 N VAL A 41 -1.531 7.918 -1.738 1.00 0.00 N ATOM 677 CA VAL A 41 -2.432 8.113 -0.608 1.00 0.00 C ATOM 678 C VAL A 41 -3.853 7.691 -0.974 1.00 0.00 C ATOM 679 O VAL A 41 -4.535 7.027 -0.195 1.00 0.00 O ATOM 680 CB VAL A 41 -2.445 9.586 -0.151 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.407 9.786 1.007 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.045 10.040 0.230 1.00 0.00 C ATOM 0 H VAL A 41 -1.021 8.756 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.066 7.492 0.210 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.789 10.197 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.398 10.833 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.414 9.507 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.101 9.162 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.075 11.082 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.671 9.421 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.384 9.944 -0.631 1.00 0.00 H new ATOM 692 N LYS A 42 -4.285 8.078 -2.168 1.00 0.00 N ATOM 693 CA LYS A 42 -5.619 7.732 -2.652 1.00 0.00 C ATOM 694 C LYS A 42 -5.772 6.220 -2.802 1.00 0.00 C ATOM 695 O LYS A 42 -6.829 5.661 -2.499 1.00 0.00 O ATOM 696 CB LYS A 42 -5.898 8.422 -3.991 1.00 0.00 C ATOM 697 CG LYS A 42 -5.893 9.941 -3.907 1.00 0.00 C ATOM 698 CD LYS A 42 -6.996 10.460 -2.997 1.00 0.00 C ATOM 699 CE LYS A 42 -6.996 11.980 -2.933 1.00 0.00 C ATOM 700 NZ LYS A 42 -7.273 12.595 -4.261 1.00 0.00 N ATOM 0 H LYS A 42 -3.731 8.632 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.344 8.080 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.149 8.104 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.866 8.091 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.926 10.281 -3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.018 10.361 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.963 10.110 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.864 10.052 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.747 12.313 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.030 12.327 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.482 13.606 -4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.441 12.485 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.090 12.123 -4.698 1.00 0.00 H new ATOM 714 N ALA A 43 -4.718 5.564 -3.266 1.00 0.00 N ATOM 715 CA ALA A 43 -4.724 4.115 -3.423 1.00 0.00 C ATOM 716 C ALA A 43 -4.790 3.429 -2.063 1.00 0.00 C ATOM 717 O ALA A 43 -5.600 2.522 -1.854 1.00 0.00 O ATOM 718 CB ALA A 43 -3.496 3.656 -4.196 1.00 0.00 C ATOM 0 H ALA A 43 -3.845 6.013 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.611 3.835 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.518 2.572 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.494 4.118 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.596 3.949 -3.656 1.00 0.00 H new ATOM 724 N GLU A 44 -3.950 3.890 -1.142 1.00 0.00 N ATOM 725 CA GLU A 44 -3.922 3.360 0.216 1.00 0.00 C ATOM 726 C GLU A 44 -5.289 3.537 0.886 1.00 0.00 C ATOM 727 O GLU A 44 -5.817 2.607 1.494 1.00 0.00 O ATOM 728 CB GLU A 44 -2.845 4.073 1.044 1.00 0.00 C ATOM 729 CG GLU A 44 -1.448 4.037 0.439 1.00 0.00 C ATOM 730 CD GLU A 44 -0.767 2.689 0.557 1.00 0.00 C ATOM 731 OE1 GLU A 44 -1.167 1.743 -0.130 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.196 2.568 1.351 1.00 0.00 O ATOM 0 H GLU A 44 -3.275 4.635 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.686 2.297 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.140 5.113 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.809 3.620 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.511 4.311 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.830 4.790 0.928 1.00 0.00 H new ATOM 739 N LYS A 45 -5.861 4.738 0.746 1.00 0.00 N ATOM 740 CA LYS A 45 -7.165 5.054 1.337 1.00 0.00 C ATOM 741 C LYS A 45 -8.259 4.149 0.788 1.00 0.00 C ATOM 742 O LYS A 45 -9.121 3.681 1.539 1.00 0.00 O ATOM 743 CB LYS A 45 -7.540 6.520 1.092 1.00 0.00 C ATOM 744 CG LYS A 45 -6.843 7.498 2.020 1.00 0.00 C ATOM 745 CD LYS A 45 -7.209 7.229 3.465 1.00 0.00 C ATOM 746 CE LYS A 45 -6.561 8.227 4.406 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.807 7.883 5.830 1.00 0.00 N ATOM 0 H LYS A 45 -5.440 5.508 0.227 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.079 4.884 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.299 6.779 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.618 6.633 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.763 7.418 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.121 8.518 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.292 7.272 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.899 6.220 3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.487 8.258 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.949 9.225 4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.132 8.396 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.777 8.153 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.684 6.859 5.966 1.00 0.00 H new ATOM 761 N GLN A 46 -8.229 3.903 -0.519 1.00 0.00 N ATOM 762 CA GLN A 46 -9.201 3.019 -1.148 1.00 0.00 C ATOM 763 C GLN A 46 -9.089 1.626 -0.549 1.00 0.00 C ATOM 764 O GLN A 46 -10.095 0.972 -0.266 1.00 0.00 O ATOM 765 CB GLN A 46 -8.977 2.964 -2.661 1.00 0.00 C ATOM 766 CG GLN A 46 -10.020 2.144 -3.411 1.00 0.00 C ATOM 767 CD GLN A 46 -11.423 2.717 -3.294 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.608 3.931 -3.178 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.424 1.848 -3.327 1.00 0.00 N ATOM 0 H GLN A 46 -7.544 4.303 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.202 3.409 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.976 3.980 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.990 2.545 -2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.743 2.089 -4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.017 1.124 -3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.231 0.851 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.387 2.176 -3.255 1.00 0.00 H new ATOM 778 N GLY A 47 -7.853 1.189 -0.344 1.00 0.00 N ATOM 779 CA GLY A 47 -7.611 -0.086 0.294 1.00 0.00 C ATOM 780 C GLY A 47 -8.168 -0.129 1.702 1.00 0.00 C ATOM 781 O GLY A 47 -8.849 -1.083 2.070 1.00 0.00 O ATOM 0 H GLY A 47 -7.011 1.700 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.063 -0.880 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.539 -0.280 0.322 1.00 0.00 H new ATOM 785 N VAL A 48 -7.895 0.920 2.475 1.00 0.00 N ATOM 786 CA VAL A 48 -8.390 1.032 3.847 1.00 0.00 C ATOM 787 C VAL A 48 -9.912 0.885 3.901 1.00 0.00 C ATOM 788 O VAL A 48 -10.447 0.212 4.782 1.00 0.00 O ATOM 789 CB VAL A 48 -7.977 2.381 4.482 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.603 2.558 5.857 1.00 0.00 C ATOM 791 CG2 VAL A 48 -6.461 2.483 4.579 1.00 0.00 C ATOM 0 H VAL A 48 -7.328 1.712 2.171 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.938 0.221 4.418 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.345 3.179 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.294 3.515 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.689 2.535 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.275 1.751 6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.189 3.438 5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.080 1.670 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.027 2.414 3.581 1.00 0.00 H new ATOM 801 N LYS A 49 -10.598 1.501 2.947 1.00 0.00 N ATOM 802 CA LYS A 49 -12.051 1.436 2.869 1.00 0.00 C ATOM 803 C LYS A 49 -12.520 -0.001 2.660 1.00 0.00 C ATOM 804 O LYS A 49 -13.469 -0.458 3.302 1.00 0.00 O ATOM 805 CB LYS A 49 -12.533 2.316 1.715 1.00 0.00 C ATOM 806 CG LYS A 49 -13.398 3.491 2.139 1.00 0.00 C ATOM 807 CD LYS A 49 -12.651 4.425 3.075 1.00 0.00 C ATOM 808 CE LYS A 49 -13.423 5.712 3.304 1.00 0.00 C ATOM 809 NZ LYS A 49 -13.478 6.553 2.078 1.00 0.00 N ATOM 0 H LYS A 49 -10.165 2.057 2.209 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.471 1.796 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.665 2.696 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.097 1.699 1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.722 4.042 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.297 3.122 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.480 3.927 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.672 4.656 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.437 5.474 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.956 6.277 4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.765 7.520 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.539 6.577 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.168 6.151 1.412 1.00 0.00 H new ATOM 823 N VAL A 50 -11.842 -0.711 1.765 1.00 0.00 N ATOM 824 CA VAL A 50 -12.176 -2.100 1.481 1.00 0.00 C ATOM 825 C VAL A 50 -11.820 -2.983 2.675 1.00 0.00 C ATOM 826 O VAL A 50 -12.571 -3.890 3.034 1.00 0.00 O ATOM 827 CB VAL A 50 -11.452 -2.617 0.215 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.881 -4.039 -0.109 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.723 -1.699 -0.970 1.00 0.00 C ATOM 0 H VAL A 50 -11.058 -0.347 1.224 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.249 -2.148 1.298 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.380 -2.619 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.359 -4.382 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.635 -4.693 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.956 -4.063 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.205 -2.079 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.795 -1.664 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.363 -0.696 -0.743 1.00 0.00 H new ATOM 839 N TYR A 51 -10.681 -2.697 3.298 1.00 0.00 N ATOM 840 CA TYR A 51 -10.248 -3.433 4.478 1.00 0.00 C ATOM 841 C TYR A 51 -11.254 -3.260 5.610 1.00 0.00 C ATOM 842 O TYR A 51 -11.629 -4.226 6.266 1.00 0.00 O ATOM 843 CB TYR A 51 -8.858 -2.973 4.940 1.00 0.00 C ATOM 844 CG TYR A 51 -7.747 -3.268 3.956 1.00 0.00 C ATOM 845 CD1 TYR A 51 -7.793 -4.392 3.143 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.655 -2.415 3.835 1.00 0.00 C ATOM 847 CE1 TYR A 51 -6.786 -4.659 2.239 1.00 0.00 C ATOM 848 CE2 TYR A 51 -5.644 -2.675 2.929 1.00 0.00 C ATOM 849 CZ TYR A 51 -5.716 -3.798 2.134 1.00 0.00 C ATOM 850 OH TYR A 51 -4.716 -4.063 1.230 1.00 0.00 O ATOM 0 H TYR A 51 -10.041 -1.959 3.004 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.188 -4.488 4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.887 -1.900 5.127 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.625 -3.456 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.631 -5.069 3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.596 -1.535 4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.836 -5.540 1.616 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.803 -2.002 2.845 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.036 -3.359 1.279 1.00 0.00 H new ATOM 860 N LYS A 52 -11.695 -2.025 5.816 1.00 0.00 N ATOM 861 CA LYS A 52 -12.691 -1.721 6.837 1.00 0.00 C ATOM 862 C LYS A 52 -13.982 -2.505 6.608 1.00 0.00 C ATOM 863 O LYS A 52 -14.617 -2.967 7.560 1.00 0.00 O ATOM 864 CB LYS A 52 -12.972 -0.216 6.869 1.00 0.00 C ATOM 865 CG LYS A 52 -11.941 0.569 7.666 1.00 0.00 C ATOM 866 CD LYS A 52 -12.335 2.029 7.823 1.00 0.00 C ATOM 867 CE LYS A 52 -11.354 2.768 8.720 1.00 0.00 C ATOM 868 NZ LYS A 52 -11.768 4.175 8.972 1.00 0.00 N ATOM 0 H LYS A 52 -11.377 -1.213 5.286 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.288 -2.025 7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.999 0.164 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.960 -0.046 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.823 0.117 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.973 0.506 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.368 2.507 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.338 2.095 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.267 2.242 9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.366 2.759 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.069 4.638 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.826 4.687 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.699 4.185 9.436 1.00 0.00 H new ATOM 882 N GLU A 53 -14.361 -2.665 5.348 1.00 0.00 N ATOM 883 CA GLU A 53 -15.540 -3.444 4.996 1.00 0.00 C ATOM 884 C GLU A 53 -15.313 -4.923 5.312 1.00 0.00 C ATOM 885 O GLU A 53 -16.106 -5.551 6.013 1.00 0.00 O ATOM 886 CB GLU A 53 -15.862 -3.259 3.510 1.00 0.00 C ATOM 887 CG GLU A 53 -17.114 -3.990 3.048 1.00 0.00 C ATOM 888 CD GLU A 53 -18.357 -3.549 3.793 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.810 -2.403 3.582 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.885 -4.342 4.598 1.00 0.00 O ATOM 0 H GLU A 53 -13.868 -2.264 4.550 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.386 -3.092 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.979 -2.195 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.014 -3.606 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.256 -3.820 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.975 -5.062 3.185 1.00 0.00 H new ATOM 897 N ALA A 54 -14.203 -5.456 4.818 1.00 0.00 N ATOM 898 CA ALA A 54 -13.879 -6.871 4.981 1.00 0.00 C ATOM 899 C ALA A 54 -13.647 -7.233 6.445 1.00 0.00 C ATOM 900 O ALA A 54 -13.905 -8.366 6.862 1.00 0.00 O ATOM 901 CB ALA A 54 -12.660 -7.234 4.147 1.00 0.00 C ATOM 0 H ALA A 54 -13.505 -4.926 4.296 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.735 -7.448 4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.431 -8.291 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.867 -7.036 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.808 -6.635 4.468 1.00 0.00 H new ATOM 907 N ALA A 55 -13.130 -6.279 7.212 1.00 0.00 N ATOM 908 CA ALA A 55 -12.846 -6.497 8.627 1.00 0.00 C ATOM 909 C ALA A 55 -14.109 -6.835 9.408 1.00 0.00 C ATOM 910 O ALA A 55 -14.119 -7.773 10.202 1.00 0.00 O ATOM 911 CB ALA A 55 -12.172 -5.274 9.227 1.00 0.00 C ATOM 0 H ALA A 55 -12.898 -5.344 6.877 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.170 -7.349 8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.967 -5.453 10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.236 -5.081 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.829 -4.410 9.126 1.00 0.00 H new ATOM 917 N GLU A 56 -15.178 -6.081 9.177 1.00 0.00 N ATOM 918 CA GLU A 56 -16.433 -6.330 9.876 1.00 0.00 C ATOM 919 C GLU A 56 -17.221 -7.435 9.179 1.00 0.00 C ATOM 920 O GLU A 56 -18.259 -7.878 9.665 1.00 0.00 O ATOM 921 CB GLU A 56 -17.261 -5.049 9.991 1.00 0.00 C ATOM 922 CG GLU A 56 -16.522 -3.932 10.711 1.00 0.00 C ATOM 923 CD GLU A 56 -17.430 -2.798 11.131 1.00 0.00 C ATOM 924 OE1 GLU A 56 -18.137 -2.241 10.266 1.00 0.00 O ATOM 925 OE2 GLU A 56 -17.452 -2.466 12.334 1.00 0.00 O ATOM 0 H GLU A 56 -15.202 -5.302 8.519 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.202 -6.664 10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.538 -4.710 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.187 -5.267 10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.028 -4.340 11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.740 -3.542 10.059 1.00 0.00 H new ATOM 932 N LYS A 57 -16.704 -7.879 8.038 1.00 0.00 N ATOM 933 CA LYS A 57 -17.233 -9.042 7.341 1.00 0.00 C ATOM 934 C LYS A 57 -16.485 -10.296 7.784 1.00 0.00 C ATOM 935 O LYS A 57 -16.541 -11.337 7.130 1.00 0.00 O ATOM 936 CB LYS A 57 -17.080 -8.865 5.828 1.00 0.00 C ATOM 937 CG LYS A 57 -18.080 -7.904 5.200 1.00 0.00 C ATOM 938 CD LYS A 57 -19.489 -8.477 5.204 1.00 0.00 C ATOM 939 CE LYS A 57 -20.448 -7.619 4.390 1.00 0.00 C ATOM 940 NZ LYS A 57 -20.639 -6.268 4.981 1.00 0.00 N ATOM 0 H LYS A 57 -15.908 -7.443 7.573 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.291 -9.145 7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.072 -8.509 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.181 -9.839 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.069 -6.960 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.779 -7.684 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -19.472 -9.488 4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.849 -8.551 6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -20.068 -7.518 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -21.412 -8.122 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -21.639 -5.993 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -20.362 -6.285 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.050 -5.579 4.471 1.00 0.00 H new ATOM 954 N ALA A 58 -15.759 -10.188 8.889 1.00 0.00 N ATOM 955 CA ALA A 58 -14.980 -11.303 9.396 1.00 0.00 C ATOM 956 C ALA A 58 -15.836 -12.264 10.210 1.00 0.00 C ATOM 957 O ALA A 58 -16.220 -11.971 11.341 1.00 0.00 O ATOM 958 CB ALA A 58 -13.804 -10.811 10.224 1.00 0.00 C ATOM 0 H ALA A 58 -15.695 -9.338 9.449 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.596 -11.847 8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.236 -11.665 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.160 -10.186 9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.172 -10.228 11.068 1.00 0.00 H new ATOM 964 N ARG A 59 -16.141 -13.405 9.610 1.00 0.00 N ATOM 965 CA ARG A 59 -16.791 -14.500 10.317 1.00 0.00 C ATOM 966 C ARG A 59 -15.831 -15.096 11.342 1.00 0.00 C ATOM 967 O ARG A 59 -16.242 -15.654 12.361 1.00 0.00 O ATOM 968 CB ARG A 59 -17.232 -15.584 9.328 1.00 0.00 C ATOM 969 CG ARG A 59 -16.178 -15.905 8.279 1.00 0.00 C ATOM 970 CD ARG A 59 -16.473 -17.204 7.547 1.00 0.00 C ATOM 971 NE ARG A 59 -16.213 -18.372 8.387 1.00 0.00 N ATOM 972 CZ ARG A 59 -15.759 -19.539 7.928 1.00 0.00 C ATOM 973 NH1 ARG A 59 -15.534 -19.708 6.629 1.00 0.00 N ATOM 974 NH2 ARG A 59 -15.527 -20.540 8.769 1.00 0.00 N ATOM 0 H ARG A 59 -15.947 -13.598 8.627 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.671 -14.113 10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.475 -16.492 9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -18.145 -15.261 8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.124 -15.088 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.201 -15.973 8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.515 -17.212 7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.862 -17.261 6.646 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.390 -18.289 9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.709 -18.943 5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.187 -20.603 6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.696 -20.417 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.180 -21.432 8.417 1.00 0.00 H new ATOM 988 N ASN A 60 -14.542 -14.969 11.051 1.00 0.00 N ATOM 989 CA ASN A 60 -13.492 -15.490 11.913 1.00 0.00 C ATOM 990 C ASN A 60 -12.507 -14.376 12.260 1.00 0.00 C ATOM 991 O ASN A 60 -11.942 -13.740 11.366 1.00 0.00 O ATOM 992 CB ASN A 60 -12.781 -16.650 11.207 1.00 0.00 C ATOM 993 CG ASN A 60 -11.569 -17.172 11.958 1.00 0.00 C ATOM 994 OD1 ASN A 60 -11.492 -17.100 13.182 1.00 0.00 O ATOM 995 ND2 ASN A 60 -10.619 -17.717 11.218 1.00 0.00 N ATOM 0 H ASN A 60 -14.197 -14.503 10.212 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.927 -15.862 12.841 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.489 -17.467 11.066 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.469 -16.323 10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.783 -18.098 11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.722 -17.757 10.204 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.316 -14.112 13.566 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.433 -13.040 14.057 1.00 0.00 C ATOM 1004 C PRO A 61 -10.012 -13.111 13.496 1.00 0.00 C ATOM 1005 O PRO A 61 -9.325 -12.093 13.406 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.415 -13.263 15.570 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.702 -13.950 15.866 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.971 -14.831 14.679 1.00 0.00 C ATOM 0 HA PRO A 61 -11.797 -12.060 13.749 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.563 -13.872 15.870 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.337 -12.319 16.109 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.632 -14.537 16.782 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.507 -13.229 16.010 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.552 -15.828 14.815 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.040 -14.955 14.504 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.575 -14.308 13.122 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.236 -14.500 12.570 1.00 0.00 C ATOM 1018 C GLU A 62 -8.082 -13.749 11.249 1.00 0.00 C ATOM 1019 O GLU A 62 -7.008 -13.233 10.933 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.959 -15.990 12.367 1.00 0.00 C ATOM 1021 CG GLU A 62 -8.191 -16.823 13.617 1.00 0.00 C ATOM 1022 CD GLU A 62 -7.943 -18.299 13.395 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -8.522 -18.868 12.445 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -7.192 -18.904 14.186 1.00 0.00 O ATOM 0 H GLU A 62 -10.128 -15.162 13.190 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.511 -14.099 13.278 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.597 -16.365 11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.927 -16.119 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.537 -16.465 14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.216 -16.679 13.958 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.172 -13.667 10.493 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.168 -12.944 9.228 1.00 0.00 C ATOM 1033 C LYS A 63 -9.114 -11.448 9.494 1.00 0.00 C ATOM 1034 O LYS A 63 -8.554 -10.685 8.709 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.414 -13.301 8.407 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.421 -12.713 7.001 1.00 0.00 C ATOM 1037 CD LYS A 63 -11.628 -13.183 6.199 1.00 0.00 C ATOM 1038 CE LYS A 63 -12.928 -12.578 6.712 1.00 0.00 C ATOM 1039 NZ LYS A 63 -13.071 -11.145 6.332 1.00 0.00 N ATOM 0 H LYS A 63 -10.067 -14.092 10.734 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.287 -13.232 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.491 -14.386 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.299 -12.953 8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.426 -11.625 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.506 -12.999 6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.493 -12.915 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.692 -14.270 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.771 -13.143 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.966 -12.670 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.462 -10.611 7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.139 -10.758 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.712 -11.064 5.517 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.685 -11.035 10.620 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.666 -9.632 11.006 1.00 0.00 C ATOM 1055 C ARG A 64 -8.248 -9.211 11.374 1.00 0.00 C ATOM 1056 O ARG A 64 -7.831 -8.103 11.063 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.598 -9.363 12.189 1.00 0.00 C ATOM 1058 CG ARG A 64 -10.880 -7.883 12.399 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.172 -7.563 13.855 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.986 -7.739 14.696 1.00 0.00 N ATOM 1061 CZ ARG A 64 -9.082 -6.783 14.921 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.254 -5.566 14.415 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -8.017 -7.043 15.670 1.00 0.00 N ATOM 0 H ARG A 64 -10.164 -11.650 11.278 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.016 -9.050 10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.540 -9.888 12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.154 -9.775 13.095 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.023 -7.299 12.064 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.729 -7.584 11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.528 -6.536 13.938 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.973 -8.208 14.216 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.842 -8.648 15.137 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.079 -5.360 13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.561 -4.838 14.589 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.891 -7.972 16.072 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.325 -6.314 15.843 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.515 -10.112 12.032 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.145 -9.851 12.447 1.00 0.00 C ATOM 1079 C GLN A 65 -5.269 -9.486 11.254 1.00 0.00 C ATOM 1080 O GLN A 65 -4.494 -8.529 11.312 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.601 -11.093 13.159 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.245 -10.893 13.806 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.090 -11.447 12.981 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.155 -11.518 11.755 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.018 -11.844 13.648 1.00 0.00 N ATOM 0 H GLN A 65 -7.857 -11.038 12.289 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.132 -9.001 13.129 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.314 -11.402 13.923 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.531 -11.909 12.440 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.084 -9.828 13.972 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.244 -11.372 14.785 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.995 -11.772 14.665 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.215 -12.222 13.145 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.409 -10.243 10.171 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.652 -9.984 8.954 1.00 0.00 C ATOM 1096 C VAL A 66 -5.004 -8.613 8.386 1.00 0.00 C ATOM 1097 O VAL A 66 -4.127 -7.835 8.007 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.921 -11.070 7.885 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.115 -10.801 6.620 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.601 -12.450 8.437 1.00 0.00 C ATOM 0 H VAL A 66 -6.041 -11.042 10.112 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.594 -10.006 9.215 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.979 -11.036 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.322 -11.578 5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.394 -9.830 6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.052 -10.802 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.796 -13.202 7.672 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.551 -12.491 8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.226 -12.648 9.308 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.294 -8.314 8.361 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.783 -7.051 7.829 1.00 0.00 C ATOM 1112 C ILE A 67 -6.358 -5.878 8.714 1.00 0.00 C ATOM 1113 O ILE A 67 -5.909 -4.850 8.217 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.318 -7.074 7.690 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.738 -8.208 6.752 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.834 -5.735 7.181 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.236 -8.404 6.654 1.00 0.00 C ATOM 0 H ILE A 67 -7.026 -8.935 8.706 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.341 -6.917 6.842 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.756 -7.250 8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.342 -8.007 5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.282 -9.137 7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.920 -5.774 7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.556 -4.948 7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.396 -5.523 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.452 -9.225 5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.638 -8.637 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.699 -7.490 6.281 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.491 -6.056 10.024 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.138 -5.023 10.999 1.00 0.00 C ATOM 1131 C ASP A 68 -4.664 -4.656 10.879 1.00 0.00 C ATOM 1132 O ASP A 68 -4.303 -3.479 10.819 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.437 -5.525 12.417 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.229 -4.466 13.484 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.073 -4.238 13.888 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -7.234 -3.878 13.944 1.00 0.00 O ATOM 0 H ASP A 68 -6.845 -6.917 10.442 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.735 -4.133 10.797 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.467 -5.878 12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.798 -6.381 12.635 1.00 0.00 H new ATOM 1141 N LYS A 69 -3.826 -5.683 10.805 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.384 -5.504 10.699 1.00 0.00 C ATOM 1143 C LYS A 69 -2.022 -4.703 9.448 1.00 0.00 C ATOM 1144 O LYS A 69 -1.201 -3.780 9.502 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.708 -6.880 10.673 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.206 -6.842 10.451 1.00 0.00 C ATOM 1147 CD LYS A 69 0.398 -8.232 10.583 1.00 0.00 C ATOM 1148 CE LYS A 69 1.864 -8.253 10.181 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.044 -8.029 8.723 1.00 0.00 N ATOM 0 H LYS A 69 -4.125 -6.658 10.817 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.030 -4.941 11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.910 -7.387 11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.164 -7.479 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.009 -6.440 9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.256 -6.170 11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.299 -8.575 11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.160 -8.931 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.403 -7.485 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.302 -9.212 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.040 -8.185 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.443 -8.692 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.775 -7.053 8.486 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.651 -5.050 8.333 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.415 -4.369 7.066 1.00 0.00 C ATOM 1165 C ILE A 70 -3.008 -2.961 7.075 1.00 0.00 C ATOM 1166 O ILE A 70 -2.364 -2.007 6.640 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.002 -5.182 5.892 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.286 -6.531 5.788 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.887 -4.408 4.583 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.834 -7.434 4.708 1.00 0.00 C ATOM 0 H ILE A 70 -3.334 -5.806 8.280 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.336 -4.285 6.933 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.061 -5.357 6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.227 -6.355 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.357 -7.044 6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.307 -5.002 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.434 -3.469 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.838 -4.200 4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.275 -8.370 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.885 -7.642 4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.738 -6.943 3.740 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.226 -2.839 7.594 1.00 0.00 N ATOM 1183 CA LEU A 71 -4.951 -1.569 7.598 1.00 0.00 C ATOM 1184 C LEU A 71 -4.185 -0.512 8.390 1.00 0.00 C ATOM 1185 O LEU A 71 -3.966 0.598 7.906 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.352 -1.781 8.195 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.411 -0.718 7.857 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.796 -1.253 8.179 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.167 0.574 8.625 1.00 0.00 C ATOM 0 H LEU A 71 -4.737 -3.611 8.022 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.049 -1.213 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.722 -2.750 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.256 -1.834 9.279 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.339 -0.496 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.543 -0.497 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.985 -2.151 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.855 -1.496 9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.933 1.303 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.208 0.374 9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.185 0.971 8.367 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.767 -0.867 9.599 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.030 0.054 10.455 1.00 0.00 C ATOM 1203 C GLU A 72 -1.687 0.436 9.839 1.00 0.00 C ATOM 1204 O GLU A 72 -1.218 1.564 10.004 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.833 -0.546 11.843 1.00 0.00 C ATOM 1206 CG GLU A 72 -4.075 -0.457 12.712 1.00 0.00 C ATOM 1207 CD GLU A 72 -4.504 0.977 12.950 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -3.688 1.763 13.470 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -5.661 1.327 12.633 1.00 0.00 O ATOM 0 H GLU A 72 -3.926 -1.787 10.009 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.622 0.965 10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.541 -1.591 11.742 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.011 -0.032 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.889 -1.004 12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.882 -0.941 13.670 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.064 -0.509 9.149 1.00 0.00 N ATOM 1217 CA ASP A 73 0.184 -0.231 8.445 1.00 0.00 C ATOM 1218 C ASP A 73 -0.080 0.745 7.309 1.00 0.00 C ATOM 1219 O ASP A 73 0.638 1.723 7.126 1.00 0.00 O ATOM 1220 CB ASP A 73 0.772 -1.505 7.849 1.00 0.00 C ATOM 1221 CG ASP A 73 2.247 -1.384 7.537 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.777 -0.285 7.421 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.925 -2.385 7.309 1.00 0.00 O ATOM 0 H ASP A 73 -1.398 -1.469 9.061 1.00 0.00 H new ATOM 0 HA ASP A 73 0.888 0.190 9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.620 -2.330 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.232 -1.755 6.936 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.137 0.459 6.560 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.515 1.248 5.396 1.00 0.00 C ATOM 1230 C GLU A 74 -1.808 2.696 5.801 1.00 0.00 C ATOM 1231 O GLU A 74 -1.433 3.631 5.094 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.735 0.602 4.725 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.583 0.370 3.225 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.279 -0.313 2.853 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.217 -1.567 2.800 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.296 0.398 2.595 1.00 0.00 O ATOM 0 H GLU A 74 -1.758 -0.329 6.744 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.690 1.268 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.936 -0.354 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.605 1.235 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.417 -0.237 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.644 1.328 2.708 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.448 2.875 6.958 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.737 4.205 7.475 1.00 0.00 C ATOM 1245 C GLU A 75 -1.445 4.908 7.892 1.00 0.00 C ATOM 1246 O GLU A 75 -1.311 6.124 7.751 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.728 4.131 8.654 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.498 5.417 8.874 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.885 6.045 7.555 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -5.867 5.591 6.938 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -4.083 6.819 7.011 1.00 0.00 O ATOM 0 H GLU A 75 -2.774 2.112 7.552 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.203 4.789 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.434 3.320 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.181 3.883 9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.393 5.214 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.891 6.115 9.450 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.485 4.137 8.393 1.00 0.00 N ATOM 1259 CA LYS A 76 0.807 4.692 8.776 1.00 0.00 C ATOM 1260 C LYS A 76 1.576 5.165 7.541 1.00 0.00 C ATOM 1261 O LYS A 76 2.286 6.173 7.591 1.00 0.00 O ATOM 1262 CB LYS A 76 1.640 3.664 9.546 1.00 0.00 C ATOM 1263 CG LYS A 76 2.934 4.238 10.098 1.00 0.00 C ATOM 1264 CD LYS A 76 3.793 3.172 10.755 1.00 0.00 C ATOM 1265 CE LYS A 76 5.069 3.774 11.325 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.984 2.735 11.862 1.00 0.00 N ATOM 0 H LYS A 76 -0.577 3.132 8.542 1.00 0.00 H new ATOM 0 HA LYS A 76 0.623 5.546 9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.046 3.267 10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.873 2.827 8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.495 4.710 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.704 5.017 10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.229 2.685 11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.044 2.402 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.581 4.341 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.815 4.478 12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.840 3.188 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.506 2.210 12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.248 2.078 11.101 1.00 0.00 H new ATOM 1280 N HIS A 77 1.430 4.431 6.434 1.00 0.00 N ATOM 1281 CA HIS A 77 2.063 4.811 5.169 1.00 0.00 C ATOM 1282 C HIS A 77 1.543 6.167 4.719 1.00 0.00 C ATOM 1283 O HIS A 77 2.310 7.053 4.343 1.00 0.00 O ATOM 1284 CB HIS A 77 1.773 3.790 4.061 1.00 0.00 C ATOM 1285 CG HIS A 77 2.313 2.415 4.300 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.898 1.308 3.593 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.239 1.970 5.185 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.562 0.246 4.063 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.394 0.589 5.031 1.00 0.00 N ATOM 0 H HIS A 77 0.881 3.573 6.389 1.00 0.00 H new ATOM 0 HA HIS A 77 3.139 4.848 5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.693 3.720 3.928 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.186 4.167 3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.772 2.584 5.896 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.435 -0.762 3.698 1.00 0.00 H new ATOM 1296 N ILE A 78 0.222 6.309 4.761 1.00 0.00 N ATOM 1297 CA ILE A 78 -0.443 7.544 4.374 1.00 0.00 C ATOM 1298 C ILE A 78 0.066 8.712 5.210 1.00 0.00 C ATOM 1299 O ILE A 78 0.375 9.779 4.682 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.971 7.412 4.543 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.495 6.285 3.652 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.668 8.726 4.218 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.938 5.924 3.907 1.00 0.00 C ATOM 0 H ILE A 78 -0.415 5.572 5.064 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.217 7.735 3.325 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.189 7.169 5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.383 6.579 2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.877 5.400 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.744 8.608 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.307 9.505 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.452 9.007 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.235 5.118 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.054 5.598 4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.568 6.795 3.728 1.00 0.00 H new ATOM 1315 N GLU A 79 0.167 8.485 6.512 1.00 0.00 N ATOM 1316 CA GLU A 79 0.683 9.487 7.433 1.00 0.00 C ATOM 1317 C GLU A 79 2.086 9.940 7.023 1.00 0.00 C ATOM 1318 O GLU A 79 2.404 11.133 7.069 1.00 0.00 O ATOM 1319 CB GLU A 79 0.696 8.922 8.853 1.00 0.00 C ATOM 1320 CG GLU A 79 1.206 9.895 9.899 1.00 0.00 C ATOM 1321 CD GLU A 79 1.186 9.303 11.289 1.00 0.00 C ATOM 1322 OE1 GLU A 79 2.086 8.496 11.612 1.00 0.00 O ATOM 1323 OE2 GLU A 79 0.267 9.636 12.063 1.00 0.00 O ATOM 0 H GLU A 79 -0.104 7.608 6.957 1.00 0.00 H new ATOM 0 HA GLU A 79 0.030 10.359 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.315 8.614 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.317 8.026 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.224 10.194 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.595 10.797 9.882 1.00 0.00 H new ATOM 1330 N TRP A 80 2.919 8.990 6.609 1.00 0.00 N ATOM 1331 CA TRP A 80 4.270 9.303 6.156 1.00 0.00 C ATOM 1332 C TRP A 80 4.221 10.091 4.850 1.00 0.00 C ATOM 1333 O TRP A 80 4.869 11.132 4.714 1.00 0.00 O ATOM 1334 CB TRP A 80 5.088 8.019 5.972 1.00 0.00 C ATOM 1335 CG TRP A 80 6.470 8.249 5.438 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.025 7.638 4.358 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.465 9.146 5.954 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.306 8.098 4.160 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.601 9.024 5.128 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.509 10.041 7.026 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.763 9.759 5.345 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.664 10.768 7.241 1.00 0.00 C ATOM 1343 CH2 TRP A 80 9.777 10.625 6.403 1.00 0.00 C ATOM 0 H TRP A 80 2.683 7.998 6.578 1.00 0.00 H new ATOM 0 HA TRP A 80 4.755 9.915 6.916 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.161 7.506 6.931 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.553 7.354 5.294 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.532 6.899 3.744 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.935 7.799 3.414 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.655 10.162 7.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.623 9.649 4.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.709 11.459 8.070 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.664 11.210 6.596 1.00 0.00 H new ATOM 1354 N HIS A 81 3.434 9.593 3.901 1.00 0.00 N ATOM 1355 CA HIS A 81 3.282 10.236 2.603 1.00 0.00 C ATOM 1356 C HIS A 81 2.761 11.669 2.727 1.00 0.00 C ATOM 1357 O HIS A 81 3.110 12.527 1.915 1.00 0.00 O ATOM 1358 CB HIS A 81 2.369 9.407 1.695 1.00 0.00 C ATOM 1359 CG HIS A 81 3.103 8.330 0.953 1.00 0.00 C ATOM 1360 ND1 HIS A 81 3.728 8.541 -0.252 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.343 7.033 1.275 1.00 0.00 C ATOM 1362 CE1 HIS A 81 4.321 7.402 -0.618 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.118 6.453 0.272 1.00 0.00 N ATOM 0 H HIS A 81 2.888 8.738 4.010 1.00 0.00 H new ATOM 0 HA HIS A 81 4.273 10.291 2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.581 8.954 2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.882 10.068 0.978 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.737 9.416 -0.776 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.990 6.532 2.164 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.893 7.276 -1.526 1.00 0.00 H new ATOM 1371 N LYS A 82 1.942 11.929 3.741 1.00 0.00 N ATOM 1372 CA LYS A 82 1.430 13.277 3.982 1.00 0.00 C ATOM 1373 C LYS A 82 2.575 14.258 4.212 1.00 0.00 C ATOM 1374 O LYS A 82 2.592 15.351 3.647 1.00 0.00 O ATOM 1375 CB LYS A 82 0.498 13.299 5.196 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.840 12.618 4.969 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.693 12.655 6.228 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.986 14.083 6.665 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.643 14.137 7.998 1.00 0.00 N ATOM 0 H LYS A 82 1.618 11.228 4.408 1.00 0.00 H new ATOM 0 HA LYS A 82 0.871 13.578 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.001 12.816 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.321 14.335 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.369 13.111 4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.678 11.584 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.631 12.129 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.180 12.126 7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.056 14.650 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.627 14.563 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.824 15.128 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.544 13.618 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.021 13.702 8.709 1.00 0.00 H new ATOM 1393 N ALA A 83 3.523 13.865 5.050 1.00 0.00 N ATOM 1394 CA ALA A 83 4.684 14.695 5.339 1.00 0.00 C ATOM 1395 C ALA A 83 5.646 14.738 4.153 1.00 0.00 C ATOM 1396 O ALA A 83 6.130 15.805 3.771 1.00 0.00 O ATOM 1397 CB ALA A 83 5.400 14.189 6.582 1.00 0.00 C ATOM 0 H ALA A 83 3.511 12.973 5.544 1.00 0.00 H new ATOM 0 HA ALA A 83 4.332 15.710 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.266 14.819 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.719 14.222 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.729 13.163 6.420 1.00 0.00 H new ATOM 1403 N ALA A 84 5.897 13.573 3.563 1.00 0.00 N ATOM 1404 CA ALA A 84 6.919 13.422 2.524 1.00 0.00 C ATOM 1405 C ALA A 84 6.568 14.165 1.232 1.00 0.00 C ATOM 1406 O ALA A 84 7.413 14.326 0.357 1.00 0.00 O ATOM 1407 CB ALA A 84 7.146 11.946 2.230 1.00 0.00 C ATOM 0 H ALA A 84 5.403 12.710 3.788 1.00 0.00 H new ATOM 0 HA ALA A 84 7.834 13.871 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.907 11.842 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.479 11.441 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.215 11.496 1.886 1.00 0.00 H new ATOM 1413 N SER A 85 5.330 14.612 1.108 1.00 0.00 N ATOM 1414 CA SER A 85 4.905 15.315 -0.094 1.00 0.00 C ATOM 1415 C SER A 85 5.039 16.829 0.069 1.00 0.00 C ATOM 1416 O SER A 85 4.533 17.597 -0.749 1.00 0.00 O ATOM 1417 CB SER A 85 3.462 14.938 -0.432 1.00 0.00 C ATOM 1418 OG SER A 85 2.655 14.917 0.733 1.00 0.00 O ATOM 0 H SER A 85 4.605 14.503 1.818 1.00 0.00 H new ATOM 0 HA SER A 85 5.556 15.014 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.054 15.652 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.441 13.959 -0.911 1.00 0.00 H new ATOM 0 HG SER A 85 2.694 14.027 1.142 1.00 0.00 H new ATOM 1424 N LYS A 86 5.739 17.252 1.116 1.00 0.00 N ATOM 1425 CA LYS A 86 5.890 18.675 1.408 1.00 0.00 C ATOM 1426 C LYS A 86 7.329 19.153 1.223 1.00 0.00 C ATOM 1427 O LYS A 86 7.646 20.310 1.506 1.00 0.00 O ATOM 1428 CB LYS A 86 5.408 18.976 2.829 1.00 0.00 C ATOM 1429 CG LYS A 86 3.904 18.833 2.995 1.00 0.00 C ATOM 1430 CD LYS A 86 3.463 19.135 4.417 1.00 0.00 C ATOM 1431 CE LYS A 86 1.947 19.191 4.525 1.00 0.00 C ATOM 1432 NZ LYS A 86 1.311 17.896 4.173 1.00 0.00 N ATOM 0 H LYS A 86 6.210 16.633 1.776 1.00 0.00 H new ATOM 0 HA LYS A 86 5.274 19.221 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.909 18.304 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.702 19.991 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.396 19.508 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.603 17.820 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.850 18.370 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.888 20.086 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.667 19.467 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.566 19.972 3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.793 17.996 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.044 17.166 4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.650 17.618 4.926 1.00 0.00 H new ATOM 1446 N GLN A 87 8.198 18.280 0.733 1.00 0.00 N ATOM 1447 CA GLN A 87 9.576 18.666 0.471 1.00 0.00 C ATOM 1448 C GLN A 87 10.075 18.047 -0.828 1.00 0.00 C ATOM 1449 O GLN A 87 9.363 17.277 -1.472 1.00 0.00 O ATOM 1450 CB GLN A 87 10.497 18.279 1.635 1.00 0.00 C ATOM 1451 CG GLN A 87 10.603 16.782 1.885 1.00 0.00 C ATOM 1452 CD GLN A 87 11.647 16.448 2.937 1.00 0.00 C ATOM 1453 OE1 GLN A 87 12.818 16.230 2.622 1.00 0.00 O ATOM 1454 NE2 GLN A 87 11.232 16.404 4.191 1.00 0.00 N ATOM 0 H GLN A 87 7.976 17.310 0.511 1.00 0.00 H new ATOM 0 HA GLN A 87 9.598 19.751 0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.494 18.673 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.136 18.762 2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.633 16.399 2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.855 16.277 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.254 16.591 4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.890 16.183 4.939 1.00 0.00 H new ATOM 1463 N GLY A 88 11.294 18.397 -1.213 1.00 0.00 N ATOM 1464 CA GLY A 88 11.867 17.869 -2.434 1.00 0.00 C ATOM 1465 C GLY A 88 12.631 16.586 -2.201 1.00 0.00 C ATOM 1466 O GLY A 88 13.731 16.601 -1.647 1.00 0.00 O ATOM 0 H GLY A 88 11.898 19.039 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.072 17.690 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.534 18.612 -2.871 1.00 0.00 H new ATOM 1470 N ASN A 89 12.043 15.472 -2.605 1.00 0.00 N ATOM 1471 CA ASN A 89 12.668 14.170 -2.427 1.00 0.00 C ATOM 1472 C ASN A 89 12.758 13.432 -3.753 1.00 0.00 C ATOM 1473 O ASN A 89 11.744 13.169 -4.394 1.00 0.00 O ATOM 1474 CB ASN A 89 11.885 13.311 -1.424 1.00 0.00 C ATOM 1475 CG ASN A 89 11.899 13.853 -0.003 1.00 0.00 C ATOM 1476 OD1 ASN A 89 10.961 13.637 0.761 1.00 0.00 O ATOM 1477 ND2 ASN A 89 12.960 14.555 0.366 1.00 0.00 N ATOM 0 H ASN A 89 11.131 15.443 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 89 13.672 14.341 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.852 13.229 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.301 12.303 -1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.016 14.936 1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.721 14.715 -0.295 1.00 0.00 H new ATOM 1484 N ALA A 90 13.976 13.112 -4.163 1.00 0.00 N ATOM 1485 CA ALA A 90 14.193 12.299 -5.352 1.00 0.00 C ATOM 1486 C ALA A 90 15.089 11.113 -5.022 1.00 0.00 C ATOM 1487 O ALA A 90 14.647 9.964 -5.040 1.00 0.00 O ATOM 1488 CB ALA A 90 14.798 13.132 -6.475 1.00 0.00 C ATOM 0 H ALA A 90 14.831 13.403 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 90 13.228 11.923 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.951 12.504 -7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.122 13.949 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.755 13.541 -6.150 1.00 0.00 H new ATOM 1494 N GLU A 91 16.336 11.399 -4.677 1.00 0.00 N ATOM 1495 CA GLU A 91 17.299 10.355 -4.358 1.00 0.00 C ATOM 1496 C GLU A 91 16.912 9.665 -3.054 1.00 0.00 C ATOM 1497 O GLU A 91 16.888 8.436 -2.964 1.00 0.00 O ATOM 1498 CB GLU A 91 18.699 10.957 -4.231 1.00 0.00 C ATOM 1499 CG GLU A 91 19.817 9.942 -4.384 1.00 0.00 C ATOM 1500 CD GLU A 91 19.977 9.465 -5.815 1.00 0.00 C ATOM 1501 OE1 GLU A 91 19.136 8.675 -6.284 1.00 0.00 O ATOM 1502 OE2 GLU A 91 20.953 9.886 -6.480 1.00 0.00 O ATOM 0 H GLU A 91 16.705 12.347 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 91 17.299 9.619 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.820 11.734 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.790 11.440 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.754 10.384 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.617 9.086 -3.739 1.00 0.00 H new ATOM 1509 N GLN A 92 16.596 10.473 -2.046 1.00 0.00 N ATOM 1510 CA GLN A 92 16.142 9.962 -0.755 1.00 0.00 C ATOM 1511 C GLN A 92 14.791 9.270 -0.899 1.00 0.00 C ATOM 1512 O GLN A 92 14.520 8.261 -0.249 1.00 0.00 O ATOM 1513 CB GLN A 92 16.034 11.100 0.263 1.00 0.00 C ATOM 1514 CG GLN A 92 17.373 11.703 0.651 1.00 0.00 C ATOM 1515 CD GLN A 92 17.233 12.861 1.621 1.00 0.00 C ATOM 1516 OE1 GLN A 92 16.252 13.607 1.587 1.00 0.00 O ATOM 1517 NE2 GLN A 92 18.203 13.005 2.507 1.00 0.00 N ATOM 0 H GLN A 92 16.646 11.490 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 92 16.874 9.237 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.398 11.884 -0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.540 10.727 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 92 17.998 10.931 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.886 12.046 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.998 12.366 2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.157 13.755 3.197 1.00 0.00 H new ATOM 1526 N PHE A 93 13.964 9.811 -1.784 1.00 0.00 N ATOM 1527 CA PHE A 93 12.608 9.317 -1.988 1.00 0.00 C ATOM 1528 C PHE A 93 12.625 7.863 -2.449 1.00 0.00 C ATOM 1529 O PHE A 93 11.913 7.026 -1.897 1.00 0.00 O ATOM 1530 CB PHE A 93 11.900 10.198 -3.015 1.00 0.00 C ATOM 1531 CG PHE A 93 10.419 9.977 -3.124 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.658 9.627 -2.019 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.782 10.151 -4.339 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.291 9.448 -2.132 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.421 9.972 -4.456 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.675 9.625 -3.357 1.00 0.00 C ATOM 0 H PHE A 93 14.213 10.602 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 93 12.067 9.359 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.079 11.243 -2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.351 10.026 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 93 10.137 9.493 -1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.359 10.431 -5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.707 9.171 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.940 10.105 -5.414 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.607 9.490 -3.449 1.00 0.00 H new ATOM 1546 N ALA A 94 13.468 7.567 -3.436 1.00 0.00 N ATOM 1547 CA ALA A 94 13.583 6.212 -3.974 1.00 0.00 C ATOM 1548 C ALA A 94 13.940 5.213 -2.880 1.00 0.00 C ATOM 1549 O ALA A 94 13.488 4.069 -2.899 1.00 0.00 O ATOM 1550 CB ALA A 94 14.630 6.169 -5.075 1.00 0.00 C ATOM 0 H ALA A 94 14.083 8.248 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 94 12.614 5.934 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.705 5.154 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.342 6.847 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.595 6.474 -4.671 1.00 0.00 H new ATOM 1556 N SER A 95 14.741 5.656 -1.922 1.00 0.00 N ATOM 1557 CA SER A 95 15.184 4.796 -0.837 1.00 0.00 C ATOM 1558 C SER A 95 14.023 4.484 0.114 1.00 0.00 C ATOM 1559 O SER A 95 13.878 3.354 0.586 1.00 0.00 O ATOM 1560 CB SER A 95 16.338 5.464 -0.083 1.00 0.00 C ATOM 1561 OG SER A 95 16.982 4.556 0.794 1.00 0.00 O ATOM 0 H SER A 95 15.098 6.610 -1.875 1.00 0.00 H new ATOM 0 HA SER A 95 15.537 3.854 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.062 5.856 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.959 6.313 0.485 1.00 0.00 H new ATOM 0 HG SER A 95 17.714 5.013 1.258 1.00 0.00 H new ATOM 1567 N LEU A 96 13.191 5.486 0.382 1.00 0.00 N ATOM 1568 CA LEU A 96 12.044 5.315 1.271 1.00 0.00 C ATOM 1569 C LEU A 96 10.954 4.478 0.609 1.00 0.00 C ATOM 1570 O LEU A 96 10.269 3.697 1.273 1.00 0.00 O ATOM 1571 CB LEU A 96 11.474 6.672 1.702 1.00 0.00 C ATOM 1572 CG LEU A 96 12.114 7.296 2.950 1.00 0.00 C ATOM 1573 CD1 LEU A 96 11.956 6.370 4.146 1.00 0.00 C ATOM 1574 CD2 LEU A 96 13.582 7.611 2.715 1.00 0.00 C ATOM 0 H LEU A 96 13.289 6.425 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 96 12.395 4.787 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.582 7.371 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.406 6.556 1.884 1.00 0.00 H new ATOM 0 HG LEU A 96 11.598 8.233 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.415 6.827 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.896 6.201 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.443 5.418 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.008 8.052 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.117 6.693 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.675 8.315 1.888 1.00 0.00 H new ATOM 1586 N VAL A 97 10.801 4.634 -0.701 1.00 0.00 N ATOM 1587 CA VAL A 97 9.809 3.869 -1.451 1.00 0.00 C ATOM 1588 C VAL A 97 10.109 2.373 -1.376 1.00 0.00 C ATOM 1589 O VAL A 97 9.195 1.556 -1.289 1.00 0.00 O ATOM 1590 CB VAL A 97 9.734 4.315 -2.929 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.743 3.464 -3.711 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.347 5.781 -3.017 1.00 0.00 C ATOM 0 H VAL A 97 11.350 5.282 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 97 8.841 4.064 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 97 10.721 4.179 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.712 3.801 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.055 2.420 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.752 3.561 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.298 6.082 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.373 5.929 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.092 6.386 -2.500 1.00 0.00 H new ATOM 1602 N GLN A 98 11.393 2.026 -1.383 1.00 0.00 N ATOM 1603 CA GLN A 98 11.812 0.632 -1.259 1.00 0.00 C ATOM 1604 C GLN A 98 11.266 0.019 0.029 1.00 0.00 C ATOM 1605 O GLN A 98 10.776 -1.110 0.030 1.00 0.00 O ATOM 1606 CB GLN A 98 13.338 0.534 -1.280 1.00 0.00 C ATOM 1607 CG GLN A 98 13.956 0.967 -2.600 1.00 0.00 C ATOM 1608 CD GLN A 98 15.469 0.921 -2.576 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.065 0.108 -1.870 1.00 0.00 O ATOM 1610 NE2 GLN A 98 16.100 1.793 -3.347 1.00 0.00 N ATOM 0 H GLN A 98 12.162 2.690 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 98 11.410 0.076 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.745 1.150 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.631 -0.495 -1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.589 0.322 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.630 1.980 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.567 2.450 -3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.120 1.808 -3.371 1.00 0.00 H new ATOM 1619 N GLN A 99 11.326 0.785 1.117 1.00 0.00 N ATOM 1620 CA GLN A 99 10.811 0.330 2.405 1.00 0.00 C ATOM 1621 C GLN A 99 9.305 0.098 2.328 1.00 0.00 C ATOM 1622 O GLN A 99 8.798 -0.896 2.845 1.00 0.00 O ATOM 1623 CB GLN A 99 11.133 1.351 3.503 1.00 0.00 C ATOM 1624 CG GLN A 99 12.612 1.440 3.837 1.00 0.00 C ATOM 1625 CD GLN A 99 13.115 0.203 4.555 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.523 -0.772 3.928 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.109 0.239 5.878 1.00 0.00 N ATOM 0 H GLN A 99 11.726 1.723 1.131 1.00 0.00 H new ATOM 0 HA GLN A 99 11.296 -0.614 2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.781 2.333 3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.581 1.088 4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.182 1.581 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.789 2.317 4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.763 1.066 6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.451 -0.560 6.411 1.00 0.00 H new ATOM 1636 N HIS A 100 8.609 1.013 1.663 1.00 0.00 N ATOM 1637 CA HIS A 100 7.167 0.906 1.462 1.00 0.00 C ATOM 1638 C HIS A 100 6.851 -0.324 0.610 1.00 0.00 C ATOM 1639 O HIS A 100 5.956 -1.100 0.932 1.00 0.00 O ATOM 1640 CB HIS A 100 6.636 2.183 0.784 1.00 0.00 C ATOM 1641 CG HIS A 100 5.145 2.372 0.855 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.529 3.594 0.702 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.143 1.476 1.056 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.209 3.413 0.810 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.913 2.142 1.027 1.00 0.00 N ATOM 0 H HIS A 100 9.025 1.847 1.249 1.00 0.00 H new ATOM 0 HA HIS A 100 6.676 0.796 2.429 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.118 3.046 1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.935 2.170 -0.264 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.999 4.484 0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.276 0.416 1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.477 4.204 0.730 1.00 0.00 H new ATOM 1653 N LEU A 101 7.612 -0.503 -0.463 1.00 0.00 N ATOM 1654 CA LEU A 101 7.426 -1.631 -1.372 1.00 0.00 C ATOM 1655 C LEU A 101 7.604 -2.962 -0.644 1.00 0.00 C ATOM 1656 O LEU A 101 6.769 -3.860 -0.756 1.00 0.00 O ATOM 1657 CB LEU A 101 8.419 -1.533 -2.535 1.00 0.00 C ATOM 1658 CG LEU A 101 8.294 -2.626 -3.601 1.00 0.00 C ATOM 1659 CD1 LEU A 101 6.954 -2.532 -4.313 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.439 -2.525 -4.598 1.00 0.00 C ATOM 0 H LEU A 101 8.371 0.125 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 101 6.408 -1.591 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.293 -0.563 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.431 -1.559 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 101 8.349 -3.597 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.886 -3.317 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.148 -2.653 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.866 -1.558 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.337 -3.308 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.413 -1.550 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.388 -2.645 -4.076 1.00 0.00 H new ATOM 1672 N GLN A 102 8.689 -3.078 0.111 1.00 0.00 N ATOM 1673 CA GLN A 102 8.970 -4.280 0.879 1.00 0.00 C ATOM 1674 C GLN A 102 7.910 -4.483 1.959 1.00 0.00 C ATOM 1675 O GLN A 102 7.556 -5.609 2.305 1.00 0.00 O ATOM 1676 CB GLN A 102 10.363 -4.180 1.498 1.00 0.00 C ATOM 1677 CG GLN A 102 11.482 -4.157 0.465 1.00 0.00 C ATOM 1678 CD GLN A 102 12.857 -3.991 1.086 1.00 0.00 C ATOM 1679 OE1 GLN A 102 13.348 -2.874 1.254 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.495 -5.100 1.422 1.00 0.00 N ATOM 0 H GLN A 102 9.393 -2.346 0.207 1.00 0.00 H new ATOM 0 HA GLN A 102 8.942 -5.144 0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.419 -3.276 2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.516 -5.025 2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.458 -5.083 -0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.305 -3.342 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.056 -6.008 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.426 -5.047 1.835 1.00 0.00 H new ATOM 1689 N ASP A 103 7.419 -3.375 2.493 1.00 0.00 N ATOM 1690 CA ASP A 103 6.357 -3.394 3.493 1.00 0.00 C ATOM 1691 C ASP A 103 5.071 -3.983 2.902 1.00 0.00 C ATOM 1692 O ASP A 103 4.419 -4.822 3.523 1.00 0.00 O ATOM 1693 CB ASP A 103 6.116 -1.966 3.994 1.00 0.00 C ATOM 1694 CG ASP A 103 5.086 -1.859 5.101 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.916 -2.174 4.902 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.394 -1.379 6.200 1.00 0.00 O ATOM 0 H ASP A 103 7.743 -2.439 2.248 1.00 0.00 H new ATOM 0 HA ASP A 103 6.659 -4.024 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.060 -1.555 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.796 -1.348 3.155 1.00 0.00 H new ATOM 1701 N GLU A 104 4.729 -3.554 1.692 1.00 0.00 N ATOM 1702 CA GLU A 104 3.508 -4.017 1.031 1.00 0.00 C ATOM 1703 C GLU A 104 3.622 -5.477 0.606 1.00 0.00 C ATOM 1704 O GLU A 104 2.630 -6.204 0.603 1.00 0.00 O ATOM 1705 CB GLU A 104 3.188 -3.155 -0.190 1.00 0.00 C ATOM 1706 CG GLU A 104 3.051 -1.673 0.114 1.00 0.00 C ATOM 1707 CD GLU A 104 1.838 -1.313 0.957 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.242 -2.202 1.623 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.475 -0.119 0.979 1.00 0.00 O ATOM 0 H GLU A 104 5.277 -2.888 1.148 1.00 0.00 H new ATOM 0 HA GLU A 104 2.698 -3.928 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.974 -3.291 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.260 -3.510 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.950 -1.336 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.000 -1.125 -0.827 1.00 0.00 H new ATOM 1716 N GLN A 105 4.828 -5.909 0.250 1.00 0.00 N ATOM 1717 CA GLN A 105 5.058 -7.304 -0.110 1.00 0.00 C ATOM 1718 C GLN A 105 4.728 -8.208 1.071 1.00 0.00 C ATOM 1719 O GLN A 105 4.150 -9.285 0.910 1.00 0.00 O ATOM 1720 CB GLN A 105 6.507 -7.527 -0.544 1.00 0.00 C ATOM 1721 CG GLN A 105 6.885 -6.814 -1.832 1.00 0.00 C ATOM 1722 CD GLN A 105 8.296 -7.137 -2.283 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.807 -8.231 -2.035 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.937 -6.188 -2.947 1.00 0.00 N ATOM 0 H GLN A 105 5.657 -5.317 0.203 1.00 0.00 H new ATOM 0 HA GLN A 105 4.407 -7.550 -0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.170 -7.190 0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.677 -8.596 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.183 -7.094 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.790 -5.738 -1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.478 -5.296 -3.132 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.890 -6.349 -3.274 1.00 0.00 H new ATOM 1733 N ARG A 106 5.083 -7.737 2.260 1.00 0.00 N ATOM 1734 CA ARG A 106 4.781 -8.440 3.498 1.00 0.00 C ATOM 1735 C ARG A 106 3.274 -8.518 3.728 1.00 0.00 C ATOM 1736 O ARG A 106 2.783 -9.467 4.339 1.00 0.00 O ATOM 1737 CB ARG A 106 5.487 -7.764 4.673 1.00 0.00 C ATOM 1738 CG ARG A 106 6.933 -8.206 4.832 1.00 0.00 C ATOM 1739 CD ARG A 106 7.697 -7.317 5.798 1.00 0.00 C ATOM 1740 NE ARG A 106 8.084 -6.048 5.183 1.00 0.00 N ATOM 1741 CZ ARG A 106 8.821 -5.118 5.793 1.00 0.00 C ATOM 1742 NH1 ARG A 106 9.215 -5.291 7.049 1.00 0.00 N ATOM 1743 NH2 ARG A 106 9.172 -4.019 5.138 1.00 0.00 N ATOM 0 H ARG A 106 5.587 -6.860 2.392 1.00 0.00 H new ATOM 0 HA ARG A 106 5.152 -9.462 3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.456 -6.683 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.943 -7.983 5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.960 -9.236 5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.425 -8.192 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.081 -7.122 6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.589 -7.839 6.144 1.00 0.00 H new ATOM 0 HE ARG A 106 7.772 -5.863 4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.954 -6.139 7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.778 -4.576 7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.878 -3.886 4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.735 -3.307 5.602 1.00 0.00 H new ATOM 1757 N HIS A 107 2.552 -7.514 3.246 1.00 0.00 N ATOM 1758 CA HIS A 107 1.093 -7.516 3.310 1.00 0.00 C ATOM 1759 C HIS A 107 0.508 -8.586 2.390 1.00 0.00 C ATOM 1760 O HIS A 107 -0.321 -9.393 2.808 1.00 0.00 O ATOM 1761 CB HIS A 107 0.527 -6.139 2.928 1.00 0.00 C ATOM 1762 CG HIS A 107 0.713 -5.102 3.991 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.396 -3.754 3.851 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.176 -5.249 5.253 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.679 -3.162 5.030 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.150 -4.026 5.899 1.00 0.00 N ATOM 0 H HIS A 107 2.952 -6.686 2.805 1.00 0.00 H new ATOM 0 HA HIS A 107 0.808 -7.742 4.338 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.008 -5.799 2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.537 -6.239 2.711 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.514 -6.178 5.689 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.536 -2.111 5.233 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.439 -3.834 6.858 1.00 0.00 H new ATOM 1773 N VAL A 108 0.964 -8.593 1.144 1.00 0.00 N ATOM 1774 CA VAL A 108 0.418 -9.489 0.126 1.00 0.00 C ATOM 1775 C VAL A 108 0.708 -10.960 0.442 1.00 0.00 C ATOM 1776 O VAL A 108 -0.167 -11.812 0.289 1.00 0.00 O ATOM 1777 CB VAL A 108 0.968 -9.147 -1.279 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.343 -10.038 -2.340 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.728 -7.683 -1.612 1.00 0.00 C ATOM 0 H VAL A 108 1.713 -7.987 0.811 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.662 -9.341 0.133 1.00 0.00 H new ATOM 0 HB VAL A 108 2.043 -9.328 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.747 -9.777 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.571 -11.081 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.738 -9.896 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.123 -7.466 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.342 -7.477 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.231 -7.055 -0.876 1.00 0.00 H new ATOM 1789 N GLU A 109 1.926 -11.251 0.894 1.00 0.00 N ATOM 1790 CA GLU A 109 2.340 -12.634 1.142 1.00 0.00 C ATOM 1791 C GLU A 109 1.409 -13.339 2.131 1.00 0.00 C ATOM 1792 O GLU A 109 1.101 -14.521 1.964 1.00 0.00 O ATOM 1793 CB GLU A 109 3.783 -12.689 1.652 1.00 0.00 C ATOM 1794 CG GLU A 109 4.010 -11.912 2.932 1.00 0.00 C ATOM 1795 CD GLU A 109 5.415 -12.063 3.468 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.342 -11.456 2.899 1.00 0.00 O ATOM 1797 OE2 GLU A 109 5.597 -12.793 4.464 1.00 0.00 O ATOM 0 H GLU A 109 2.642 -10.553 1.096 1.00 0.00 H new ATOM 0 HA GLU A 109 2.280 -13.160 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.061 -13.730 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.446 -12.300 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.806 -10.856 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.300 -12.249 3.687 1.00 0.00 H new ATOM 1804 N GLU A 110 0.957 -12.612 3.152 1.00 0.00 N ATOM 1805 CA GLU A 110 0.057 -13.175 4.153 1.00 0.00 C ATOM 1806 C GLU A 110 -1.332 -13.419 3.569 1.00 0.00 C ATOM 1807 O GLU A 110 -2.049 -14.314 4.010 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.026 -12.271 5.388 1.00 0.00 C ATOM 1809 CG GLU A 110 1.302 -12.120 6.112 1.00 0.00 C ATOM 1810 CD GLU A 110 1.169 -11.449 7.468 1.00 0.00 C ATOM 1811 OE1 GLU A 110 1.178 -10.204 7.525 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.072 -12.170 8.488 1.00 0.00 O ATOM 0 H GLU A 110 1.200 -11.633 3.306 1.00 0.00 H new ATOM 0 HA GLU A 110 0.466 -14.137 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.381 -11.286 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.764 -12.678 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.751 -13.104 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.983 -11.539 5.491 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.708 -12.620 2.576 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.019 -12.738 1.940 1.00 0.00 C ATOM 1821 C ILE A 111 -3.052 -13.900 0.943 1.00 0.00 C ATOM 1822 O ILE A 111 -4.082 -14.553 0.768 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.408 -11.437 1.201 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.366 -10.246 2.160 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.793 -11.566 0.579 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -3.673 -8.919 1.495 1.00 0.00 C ATOM 0 H ILE A 111 -1.121 -11.880 2.191 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.737 -12.926 2.739 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.686 -11.268 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.082 -10.413 2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.378 -10.193 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.048 -10.640 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.796 -12.391 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.527 -11.760 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.625 -8.121 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.943 -8.729 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.673 -8.952 1.062 1.00 0.00 H new ATOM 1838 N GLU A 112 -1.915 -14.163 0.308 1.00 0.00 N ATOM 1839 CA GLU A 112 -1.815 -15.187 -0.735 1.00 0.00 C ATOM 1840 C GLU A 112 -1.800 -16.601 -0.145 1.00 0.00 C ATOM 1841 O GLU A 112 -0.997 -17.446 -0.542 1.00 0.00 O ATOM 1842 CB GLU A 112 -0.548 -14.951 -1.561 1.00 0.00 C ATOM 1843 CG GLU A 112 -0.534 -13.625 -2.306 1.00 0.00 C ATOM 1844 CD GLU A 112 -1.432 -13.615 -3.529 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -2.629 -13.943 -3.404 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -0.940 -13.264 -4.623 1.00 0.00 O ATOM 0 H GLU A 112 -1.039 -13.677 0.498 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.695 -15.107 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 112 0.318 -14.994 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -0.440 -15.762 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.847 -12.831 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.487 -13.399 -2.612 1.00 0.00 H new ATOM 1853 N LYS A 113 -2.698 -16.853 0.796 1.00 0.00 N ATOM 1854 CA LYS A 113 -2.814 -18.162 1.429 1.00 0.00 C ATOM 1855 C LYS A 113 -3.567 -19.142 0.537 1.00 0.00 C ATOM 1856 O LYS A 113 -3.040 -20.190 0.165 1.00 0.00 O ATOM 1857 CB LYS A 113 -3.540 -18.043 2.771 1.00 0.00 C ATOM 1858 CG LYS A 113 -2.757 -17.295 3.837 1.00 0.00 C ATOM 1859 CD LYS A 113 -1.579 -18.110 4.350 1.00 0.00 C ATOM 1860 CE LYS A 113 -0.836 -17.367 5.449 1.00 0.00 C ATOM 1861 NZ LYS A 113 0.173 -18.227 6.122 1.00 0.00 N ATOM 0 H LYS A 113 -3.364 -16.162 1.142 1.00 0.00 H new ATOM 0 HA LYS A 113 -1.804 -18.539 1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -4.492 -17.537 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.768 -19.044 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.395 -16.352 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.418 -17.049 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.934 -19.068 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.897 -18.326 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.342 -16.493 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.551 -17.002 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.656 -17.681 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.301 -19.048 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 0.871 -18.555 5.424 1.00 0.00 H new ATOM 1875 N LYS A 114 -4.794 -18.787 0.182 1.00 0.00 N ATOM 1876 CA LYS A 114 -5.671 -19.686 -0.558 1.00 0.00 C ATOM 1877 C LYS A 114 -5.562 -19.446 -2.061 1.00 0.00 C ATOM 1878 O LYS A 114 -6.367 -19.951 -2.841 1.00 0.00 O ATOM 1879 CB LYS A 114 -7.121 -19.507 -0.092 1.00 0.00 C ATOM 1880 CG LYS A 114 -7.315 -19.761 1.397 1.00 0.00 C ATOM 1881 CD LYS A 114 -8.768 -19.607 1.816 1.00 0.00 C ATOM 1882 CE LYS A 114 -8.931 -19.803 3.315 1.00 0.00 C ATOM 1883 NZ LYS A 114 -10.352 -19.713 3.743 1.00 0.00 N ATOM 0 H LYS A 114 -5.207 -17.879 0.395 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.358 -20.711 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.447 -18.493 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.762 -20.186 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.972 -20.766 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.698 -19.066 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.128 -18.617 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.382 -20.333 1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.529 -20.776 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.346 -19.050 3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.479 -20.231 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.610 -18.715 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.962 -20.129 3.011 1.00 0.00 H new ATOM 1897 N ASN A 115 -4.561 -18.676 -2.461 1.00 0.00 N ATOM 1898 CA ASN A 115 -4.333 -18.397 -3.871 1.00 0.00 C ATOM 1899 C ASN A 115 -3.149 -19.208 -4.376 1.00 0.00 C ATOM 1900 O ASN A 115 -3.369 -20.309 -4.919 1.00 0.00 O ATOM 1901 CB ASN A 115 -4.082 -16.904 -4.086 1.00 0.00 C ATOM 1902 CG ASN A 115 -3.911 -16.539 -5.549 1.00 0.00 C ATOM 1903 OD1 ASN A 115 -4.454 -17.200 -6.438 1.00 0.00 O ATOM 1904 ND2 ASN A 115 -3.171 -15.472 -5.805 1.00 0.00 N ATOM 1905 OXT ASN A 115 -1.999 -18.764 -4.193 1.00 0.00 O ATOM 0 H ASN A 115 -3.894 -18.233 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.223 -18.682 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.915 -16.337 -3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.189 -16.608 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.032 -15.167 -6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.740 -14.954 -5.039 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.769 -1.272 6.397 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.832 1.158 1.679 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.251 -2.612 2.045 1.00 0.00 ZN