USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 100 HIS HE2 : A 100 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -0.019 X(o=1.1,f=1.1) USER MOD Set 1.2: A 85 SER OG : rot 68:sc= 1.11 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 2.5 (180deg=2.28) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -1.88! (180deg=-2.46!) USER MOD Single : A 12 GLN : amide:sc= -0.477 K(o=-0.48,f=-2.8!) USER MOD Single : A 13 GLN : amide:sc= -0.0259 K(o=-0.026,f=-0.69) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 1.31 (180deg=0.377) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= 1.18 (180deg=0.984) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.683) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.05 K(o=-1,f=-5.7!) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0715) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.7) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.18) USER MOD Single : A 51 TYR OH : rot -25:sc= 0.216 USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= -0.0453 (180deg=-0.256) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 1 (180deg=0.792) USER MOD Single : A 60 ASN : amide:sc= -0.885 K(o=-0.89,f=-6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= 2.42 (180deg=2.2) USER MOD Single : A 81 HIS : no HE2:sc= 0.111 K(o=0.11,f=-0.67) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= -0.0623 (180deg=-0.302) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 92 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.37) USER MOD Single : A 95 SER OG : rot 70:sc= 1.27 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0572 F(o=-1.4!,f=-0.057) USER MOD Single : A 99 GLN : amide:sc= 0.452 X(o=0.45,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.901 K(o=-0.9,f=-5.3!) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 113 LYS NZ :NH3+ -164:sc= -0.0283 (180deg=-0.317) USER MOD Single : A 114 LYS NZ :NH3+ -144:sc= -2.43! (180deg=-4.82!) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.177 6.506 7.408 1.00 0.00 N ATOM 2 CA MET A 1 -15.984 6.915 8.578 1.00 0.00 C ATOM 3 C MET A 1 -15.051 7.207 9.739 1.00 0.00 C ATOM 4 O MET A 1 -15.179 8.217 10.432 1.00 0.00 O ATOM 5 CB MET A 1 -16.997 5.813 8.942 1.00 0.00 C ATOM 6 CG MET A 1 -18.038 6.230 9.976 1.00 0.00 C ATOM 7 SD MET A 1 -17.374 6.350 11.650 1.00 0.00 S ATOM 8 CE MET A 1 -18.806 6.959 12.536 1.00 0.00 C ATOM 0 H1 MET A 1 -15.753 6.582 6.545 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.346 7.126 7.325 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.863 5.522 7.530 1.00 0.00 H new ATOM 0 HA MET A 1 -16.550 7.816 8.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.511 5.495 8.035 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.453 4.947 9.320 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.459 7.194 9.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.856 5.510 9.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.555 7.086 13.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.112 7.918 12.118 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.624 6.244 12.441 1.00 0.00 H new ATOM 20 N ASP A 2 -14.100 6.313 9.940 1.00 0.00 N ATOM 21 CA ASP A 2 -13.042 6.539 10.896 1.00 0.00 C ATOM 22 C ASP A 2 -11.787 6.932 10.137 1.00 0.00 C ATOM 23 O ASP A 2 -11.009 6.075 9.709 1.00 0.00 O ATOM 24 CB ASP A 2 -12.780 5.287 11.735 1.00 0.00 C ATOM 25 CG ASP A 2 -11.852 5.561 12.900 1.00 0.00 C ATOM 26 OD1 ASP A 2 -10.644 5.780 12.672 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.334 5.581 14.049 1.00 0.00 O ATOM 0 H ASP A 2 -14.043 5.421 9.449 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.337 7.336 11.579 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.727 4.899 12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.347 4.512 11.102 1.00 0.00 H new ATOM 32 N GLU A 3 -11.618 8.231 9.935 1.00 0.00 N ATOM 33 CA GLU A 3 -10.507 8.752 9.147 1.00 0.00 C ATOM 34 C GLU A 3 -9.199 8.711 9.937 1.00 0.00 C ATOM 35 O GLU A 3 -8.467 9.699 10.017 1.00 0.00 O ATOM 36 CB GLU A 3 -10.809 10.177 8.665 1.00 0.00 C ATOM 37 CG GLU A 3 -11.768 10.246 7.477 1.00 0.00 C ATOM 38 CD GLU A 3 -13.158 9.721 7.789 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.913 10.421 8.496 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.509 8.619 7.314 1.00 0.00 O ATOM 0 H GLU A 3 -12.240 8.948 10.308 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.386 8.112 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.232 10.747 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.872 10.662 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.846 11.281 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.350 9.674 6.649 1.00 0.00 H new ATOM 47 N LEU A 4 -8.923 7.557 10.518 1.00 0.00 N ATOM 48 CA LEU A 4 -7.668 7.307 11.194 1.00 0.00 C ATOM 49 C LEU A 4 -7.355 5.822 11.130 1.00 0.00 C ATOM 50 O LEU A 4 -6.390 5.409 10.496 1.00 0.00 O ATOM 51 CB LEU A 4 -7.720 7.771 12.654 1.00 0.00 C ATOM 52 CG LEU A 4 -6.439 7.527 13.458 1.00 0.00 C ATOM 53 CD1 LEU A 4 -5.264 8.266 12.834 1.00 0.00 C ATOM 54 CD2 LEU A 4 -6.630 7.950 14.906 1.00 0.00 C ATOM 0 H LEU A 4 -9.567 6.766 10.533 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.883 7.874 10.693 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.945 8.837 12.673 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.546 7.262 13.152 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.220 6.460 13.438 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.364 8.080 13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.112 7.913 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.473 9.336 12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.710 7.770 15.462 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.876 9.011 14.946 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.441 7.373 15.350 1.00 0.00 H new ATOM 66 N ARG A 5 -8.205 5.020 11.758 1.00 0.00 N ATOM 67 CA ARG A 5 -7.991 3.593 11.836 1.00 0.00 C ATOM 68 C ARG A 5 -8.248 2.910 10.495 1.00 0.00 C ATOM 69 O ARG A 5 -7.462 2.068 10.073 1.00 0.00 O ATOM 70 CB ARG A 5 -8.868 2.998 12.933 1.00 0.00 C ATOM 71 CG ARG A 5 -8.449 3.433 14.328 1.00 0.00 C ATOM 72 CD ARG A 5 -7.022 3.003 14.635 1.00 0.00 C ATOM 73 NE ARG A 5 -6.493 3.655 15.833 1.00 0.00 N ATOM 74 CZ ARG A 5 -5.219 3.587 16.219 1.00 0.00 C ATOM 75 NH1 ARG A 5 -4.361 2.821 15.552 1.00 0.00 N ATOM 76 NH2 ARG A 5 -4.805 4.279 17.274 1.00 0.00 N ATOM 0 H ARG A 5 -9.054 5.343 12.222 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.945 3.417 12.086 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.904 3.292 12.762 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.831 1.910 12.871 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.531 4.517 14.414 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.127 3.003 15.065 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.991 1.922 14.769 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.383 3.237 13.784 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.139 4.195 16.409 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.677 2.285 14.744 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.386 2.770 15.848 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.462 4.864 17.790 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.830 4.226 17.568 1.00 0.00 H new ATOM 90 N GLU A 6 -9.335 3.284 9.816 1.00 0.00 N ATOM 91 CA GLU A 6 -9.636 2.720 8.501 1.00 0.00 C ATOM 92 C GLU A 6 -8.526 3.061 7.513 1.00 0.00 C ATOM 93 O GLU A 6 -8.121 2.230 6.701 1.00 0.00 O ATOM 94 CB GLU A 6 -10.970 3.250 7.962 1.00 0.00 C ATOM 95 CG GLU A 6 -12.193 2.759 8.720 1.00 0.00 C ATOM 96 CD GLU A 6 -13.491 3.146 8.036 1.00 0.00 C ATOM 97 OE1 GLU A 6 -14.027 4.234 8.329 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.989 2.360 7.202 1.00 0.00 O ATOM 0 H GLU A 6 -10.014 3.967 10.151 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.708 1.638 8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.953 4.339 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.066 2.961 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.146 1.674 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.181 3.170 9.729 1.00 0.00 H new ATOM 105 N LEU A 7 -8.036 4.289 7.610 1.00 0.00 N ATOM 106 CA LEU A 7 -7.001 4.785 6.717 1.00 0.00 C ATOM 107 C LEU A 7 -5.664 4.092 6.999 1.00 0.00 C ATOM 108 O LEU A 7 -5.012 3.578 6.090 1.00 0.00 O ATOM 109 CB LEU A 7 -6.856 6.297 6.902 1.00 0.00 C ATOM 110 CG LEU A 7 -6.443 7.079 5.656 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.554 7.045 4.619 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.097 8.514 6.024 1.00 0.00 C ATOM 0 H LEU A 7 -8.344 4.966 8.308 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.287 4.567 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.806 6.694 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.120 6.480 7.684 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.557 6.611 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.246 7.606 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.758 6.012 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.456 7.493 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.805 9.059 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.966 8.994 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.272 8.518 6.736 1.00 0.00 H new ATOM 124 N LEU A 8 -5.286 4.067 8.272 1.00 0.00 N ATOM 125 CA LEU A 8 -4.003 3.510 8.695 1.00 0.00 C ATOM 126 C LEU A 8 -3.926 2.013 8.418 1.00 0.00 C ATOM 127 O LEU A 8 -2.931 1.523 7.882 1.00 0.00 O ATOM 128 CB LEU A 8 -3.795 3.764 10.189 1.00 0.00 C ATOM 129 CG LEU A 8 -2.384 3.499 10.716 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.381 4.420 10.036 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.341 3.682 12.227 1.00 0.00 C ATOM 0 H LEU A 8 -5.855 4.429 9.037 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.218 4.003 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.054 4.801 10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.494 3.140 10.746 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.114 2.468 10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.382 4.218 10.422 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.396 4.244 8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.645 5.458 10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.331 3.490 12.588 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.628 4.703 12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.033 2.984 12.698 1.00 0.00 H new ATOM 143 N LYS A 9 -4.982 1.294 8.783 1.00 0.00 N ATOM 144 CA LYS A 9 -5.016 -0.156 8.615 1.00 0.00 C ATOM 145 C LYS A 9 -4.844 -0.564 7.159 1.00 0.00 C ATOM 146 O LYS A 9 -4.262 -1.607 6.880 1.00 0.00 O ATOM 147 CB LYS A 9 -6.307 -0.764 9.168 1.00 0.00 C ATOM 148 CG LYS A 9 -6.391 -0.755 10.687 1.00 0.00 C ATOM 149 CD LYS A 9 -7.481 -1.689 11.195 1.00 0.00 C ATOM 150 CE LYS A 9 -6.991 -3.130 11.318 1.00 0.00 C ATOM 151 NZ LYS A 9 -6.527 -3.704 10.023 1.00 0.00 N ATOM 0 H LYS A 9 -5.826 1.690 9.197 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.174 -0.546 9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.158 -0.216 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.393 -1.792 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.430 -1.054 11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.589 0.259 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.832 -1.342 12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.334 -1.653 10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.174 -3.169 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.796 -3.748 11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.449 -4.738 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.210 -3.469 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.597 -3.306 9.780 1.00 0.00 H new ATOM 165 N ALA A 10 -5.366 0.242 6.239 1.00 0.00 N ATOM 166 CA ALA A 10 -5.227 -0.040 4.814 1.00 0.00 C ATOM 167 C ALA A 10 -3.755 -0.147 4.428 1.00 0.00 C ATOM 168 O ALA A 10 -3.348 -1.078 3.733 1.00 0.00 O ATOM 169 CB ALA A 10 -5.922 1.035 3.989 1.00 0.00 C ATOM 0 H ALA A 10 -5.887 1.092 6.453 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.704 -0.997 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.809 0.810 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.982 1.061 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.474 2.005 4.204 1.00 0.00 H new ATOM 175 N GLU A 11 -2.960 0.799 4.912 1.00 0.00 N ATOM 176 CA GLU A 11 -1.526 0.797 4.657 1.00 0.00 C ATOM 177 C GLU A 11 -0.846 -0.338 5.416 1.00 0.00 C ATOM 178 O GLU A 11 -0.027 -1.070 4.859 1.00 0.00 O ATOM 179 CB GLU A 11 -0.926 2.142 5.066 1.00 0.00 C ATOM 180 CG GLU A 11 -1.427 3.305 4.229 1.00 0.00 C ATOM 181 CD GLU A 11 -0.854 3.307 2.831 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.133 2.408 2.041 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.070 4.202 2.498 1.00 0.00 O ATOM 0 H GLU A 11 -3.285 1.578 5.484 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.360 0.641 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.158 2.332 6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.160 2.087 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.515 3.264 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.169 4.241 4.724 1.00 0.00 H new ATOM 190 N GLN A 12 -1.212 -0.488 6.686 1.00 0.00 N ATOM 191 CA GLN A 12 -0.643 -1.532 7.537 1.00 0.00 C ATOM 192 C GLN A 12 -0.920 -2.923 6.970 1.00 0.00 C ATOM 193 O GLN A 12 -0.095 -3.826 7.093 1.00 0.00 O ATOM 194 CB GLN A 12 -1.206 -1.423 8.956 1.00 0.00 C ATOM 195 CG GLN A 12 -0.739 -0.185 9.701 1.00 0.00 C ATOM 196 CD GLN A 12 -1.415 -0.026 11.048 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.571 -0.413 11.229 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.695 0.535 12.004 1.00 0.00 N ATOM 0 H GLN A 12 -1.902 0.102 7.151 1.00 0.00 H new ATOM 0 HA GLN A 12 0.437 -1.388 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.295 -1.418 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.916 -2.308 9.522 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.340 -0.237 9.844 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.938 0.697 9.093 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.259 0.841 11.811 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.093 0.662 12.935 1.00 0.00 H new ATOM 207 N GLN A 13 -2.081 -3.081 6.341 1.00 0.00 N ATOM 208 CA GLN A 13 -2.462 -4.354 5.746 1.00 0.00 C ATOM 209 C GLN A 13 -1.466 -4.740 4.667 1.00 0.00 C ATOM 210 O GLN A 13 -1.014 -5.881 4.601 1.00 0.00 O ATOM 211 CB GLN A 13 -3.868 -4.254 5.146 1.00 0.00 C ATOM 212 CG GLN A 13 -4.401 -5.564 4.592 1.00 0.00 C ATOM 213 CD GLN A 13 -4.591 -6.621 5.664 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.874 -6.306 6.821 1.00 0.00 O ATOM 215 NE2 GLN A 13 -4.444 -7.881 5.284 1.00 0.00 N ATOM 0 H GLN A 13 -2.774 -2.341 6.231 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.462 -5.120 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.553 -3.890 5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.859 -3.512 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.354 -5.382 4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.713 -5.940 3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.209 -8.097 4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.566 -8.635 5.960 1.00 0.00 H new ATOM 224 N GLY A 14 -1.107 -3.770 3.849 1.00 0.00 N ATOM 225 CA GLY A 14 -0.148 -4.012 2.795 1.00 0.00 C ATOM 226 C GLY A 14 1.252 -4.210 3.338 1.00 0.00 C ATOM 227 O GLY A 14 1.978 -5.076 2.866 1.00 0.00 O ATOM 0 H GLY A 14 -1.463 -2.815 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.446 -4.895 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.152 -3.172 2.101 1.00 0.00 H new ATOM 231 N ILE A 15 1.623 -3.418 4.342 1.00 0.00 N ATOM 232 CA ILE A 15 2.941 -3.534 4.967 1.00 0.00 C ATOM 233 C ILE A 15 3.152 -4.938 5.529 1.00 0.00 C ATOM 234 O ILE A 15 4.217 -5.533 5.355 1.00 0.00 O ATOM 235 CB ILE A 15 3.127 -2.496 6.100 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.057 -1.075 5.537 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.453 -2.715 6.819 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.220 0.007 6.584 1.00 0.00 C ATOM 0 H ILE A 15 1.031 -2.689 4.741 1.00 0.00 H new ATOM 0 HA ILE A 15 3.681 -3.339 4.191 1.00 0.00 H new ATOM 0 HB ILE A 15 2.320 -2.627 6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.833 -0.955 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.099 -0.940 5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.564 -1.975 7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.471 -3.715 7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.273 -2.612 6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.159 0.986 6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.429 -0.085 7.328 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.190 -0.100 7.070 1.00 0.00 H new ATOM 250 N LYS A 16 2.124 -5.464 6.188 1.00 0.00 N ATOM 251 CA LYS A 16 2.171 -6.814 6.734 1.00 0.00 C ATOM 252 C LYS A 16 2.421 -7.814 5.609 1.00 0.00 C ATOM 253 O LYS A 16 3.274 -8.693 5.720 1.00 0.00 O ATOM 254 CB LYS A 16 0.857 -7.129 7.461 1.00 0.00 C ATOM 255 CG LYS A 16 0.976 -8.194 8.549 1.00 0.00 C ATOM 256 CD LYS A 16 1.050 -9.606 7.979 1.00 0.00 C ATOM 257 CE LYS A 16 1.039 -10.654 9.085 1.00 0.00 C ATOM 258 NZ LYS A 16 1.059 -12.042 8.548 1.00 0.00 N ATOM 0 H LYS A 16 1.246 -4.973 6.357 1.00 0.00 H new ATOM 0 HA LYS A 16 2.987 -6.888 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.475 -6.211 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.120 -7.457 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.867 -8.000 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.120 -8.121 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.207 -9.774 7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.957 -9.713 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.903 -10.505 9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.151 -10.518 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.669 -12.694 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.484 -12.088 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.038 -12.315 8.328 1.00 0.00 H new ATOM 272 N ILE A 17 1.690 -7.644 4.512 1.00 0.00 N ATOM 273 CA ILE A 17 1.829 -8.501 3.338 1.00 0.00 C ATOM 274 C ILE A 17 3.215 -8.351 2.709 1.00 0.00 C ATOM 275 O ILE A 17 3.826 -9.330 2.291 1.00 0.00 O ATOM 276 CB ILE A 17 0.751 -8.167 2.282 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.644 -8.382 2.866 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.938 -9.020 1.034 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.758 -7.867 1.978 1.00 0.00 C ATOM 0 H ILE A 17 0.987 -6.912 4.411 1.00 0.00 H new ATOM 0 HA ILE A 17 1.699 -9.531 3.670 1.00 0.00 H new ATOM 0 HB ILE A 17 0.857 -7.119 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.795 -9.447 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.704 -7.886 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.169 -8.769 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.922 -8.828 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.857 -10.074 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.720 -8.053 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.632 -6.796 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.725 -8.381 1.017 1.00 0.00 H new ATOM 291 N LEU A 18 3.711 -7.125 2.651 1.00 0.00 N ATOM 292 CA LEU A 18 5.028 -6.864 2.087 1.00 0.00 C ATOM 293 C LEU A 18 6.111 -7.542 2.919 1.00 0.00 C ATOM 294 O LEU A 18 7.074 -8.087 2.380 1.00 0.00 O ATOM 295 CB LEU A 18 5.277 -5.358 1.993 1.00 0.00 C ATOM 296 CG LEU A 18 4.295 -4.604 1.090 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.533 -3.109 1.168 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.405 -5.091 -0.347 1.00 0.00 C ATOM 0 H LEU A 18 3.223 -6.295 2.987 1.00 0.00 H new ATOM 0 HA LEU A 18 5.064 -7.281 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.229 -4.932 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.289 -5.193 1.624 1.00 0.00 H new ATOM 0 HG LEU A 18 3.284 -4.806 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.825 -2.594 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.396 -2.772 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.550 -2.885 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.700 -4.543 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.419 -4.924 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.176 -6.156 -0.389 1.00 0.00 H new ATOM 310 N LYS A 19 5.943 -7.512 4.235 1.00 0.00 N ATOM 311 CA LYS A 19 6.833 -8.213 5.137 1.00 0.00 C ATOM 312 C LYS A 19 6.699 -9.722 4.952 1.00 0.00 C ATOM 313 O LYS A 19 7.686 -10.460 5.012 1.00 0.00 O ATOM 314 CB LYS A 19 6.509 -7.817 6.565 1.00 0.00 C ATOM 315 CG LYS A 19 6.911 -6.388 6.901 1.00 0.00 C ATOM 316 CD LYS A 19 8.246 -6.309 7.632 1.00 0.00 C ATOM 317 CE LYS A 19 9.411 -6.771 6.769 1.00 0.00 C ATOM 318 NZ LYS A 19 10.712 -6.587 7.463 1.00 0.00 N ATOM 0 H LYS A 19 5.190 -7.004 4.699 1.00 0.00 H new ATOM 0 HA LYS A 19 7.864 -7.939 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.438 -7.935 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.016 -8.499 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.970 -5.806 5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.136 -5.932 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.421 -5.282 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.200 -6.921 8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.280 -7.822 6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.415 -6.213 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.484 -6.912 6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.847 -5.580 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.717 -7.140 8.344 1.00 0.00 H new ATOM 332 N GLU A 20 5.464 -10.161 4.717 1.00 0.00 N ATOM 333 CA GLU A 20 5.150 -11.542 4.444 1.00 0.00 C ATOM 334 C GLU A 20 5.885 -12.031 3.200 1.00 0.00 C ATOM 335 O GLU A 20 6.519 -13.084 3.217 1.00 0.00 O ATOM 336 CB GLU A 20 3.643 -11.642 4.236 1.00 0.00 C ATOM 337 CG GLU A 20 2.834 -11.775 5.516 1.00 0.00 C ATOM 338 CD GLU A 20 3.010 -13.115 6.195 1.00 0.00 C ATOM 339 OE1 GLU A 20 2.867 -14.155 5.519 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.245 -13.134 7.420 1.00 0.00 O ATOM 0 H GLU A 20 4.648 -9.549 4.713 1.00 0.00 H new ATOM 0 HA GLU A 20 5.466 -12.167 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.304 -10.756 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.434 -12.501 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.126 -10.984 6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.779 -11.626 5.288 1.00 0.00 H new ATOM 347 N VAL A 21 5.816 -11.242 2.131 1.00 0.00 N ATOM 348 CA VAL A 21 6.458 -11.597 0.870 1.00 0.00 C ATOM 349 C VAL A 21 7.971 -11.646 1.028 1.00 0.00 C ATOM 350 O VAL A 21 8.617 -12.558 0.528 1.00 0.00 O ATOM 351 CB VAL A 21 6.105 -10.600 -0.260 1.00 0.00 C ATOM 352 CG1 VAL A 21 6.767 -11.008 -1.568 1.00 0.00 C ATOM 353 CG2 VAL A 21 4.602 -10.491 -0.441 1.00 0.00 C ATOM 0 H VAL A 21 5.321 -10.351 2.114 1.00 0.00 H new ATOM 0 HA VAL A 21 6.082 -12.583 0.596 1.00 0.00 H new ATOM 0 HB VAL A 21 6.486 -9.621 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.504 -10.293 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.849 -11.023 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.422 -12.001 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.382 -9.784 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.195 -11.469 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.148 -10.142 0.487 1.00 0.00 H new ATOM 363 N LEU A 22 8.526 -10.670 1.734 1.00 0.00 N ATOM 364 CA LEU A 22 9.968 -10.601 1.942 1.00 0.00 C ATOM 365 C LEU A 22 10.461 -11.819 2.722 1.00 0.00 C ATOM 366 O LEU A 22 11.539 -12.352 2.455 1.00 0.00 O ATOM 367 CB LEU A 22 10.323 -9.311 2.683 1.00 0.00 C ATOM 368 CG LEU A 22 11.813 -8.977 2.739 1.00 0.00 C ATOM 369 CD1 LEU A 22 12.392 -8.865 1.336 1.00 0.00 C ATOM 370 CD2 LEU A 22 12.036 -7.686 3.511 1.00 0.00 C ATOM 0 H LEU A 22 8.000 -9.914 2.173 1.00 0.00 H new ATOM 0 HA LEU A 22 10.463 -10.600 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.800 -8.482 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.945 -9.382 3.703 1.00 0.00 H new ATOM 0 HG LEU A 22 12.328 -9.786 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.454 -8.627 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.263 -9.812 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.875 -8.076 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.102 -7.461 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.507 -6.871 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.659 -7.800 4.527 1.00 0.00 H new ATOM 382 N LYS A 23 9.658 -12.256 3.681 1.00 0.00 N ATOM 383 CA LYS A 23 9.965 -13.444 4.466 1.00 0.00 C ATOM 384 C LYS A 23 9.830 -14.683 3.600 1.00 0.00 C ATOM 385 O LYS A 23 10.725 -15.524 3.524 1.00 0.00 O ATOM 386 CB LYS A 23 8.994 -13.532 5.646 1.00 0.00 C ATOM 387 CG LYS A 23 9.266 -14.690 6.599 1.00 0.00 C ATOM 388 CD LYS A 23 8.526 -15.948 6.169 1.00 0.00 C ATOM 389 CE LYS A 23 8.922 -17.154 7.002 1.00 0.00 C ATOM 390 NZ LYS A 23 8.122 -18.353 6.640 1.00 0.00 N ATOM 0 H LYS A 23 8.781 -11.801 3.936 1.00 0.00 H new ATOM 0 HA LYS A 23 10.988 -13.380 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.037 -12.598 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.979 -13.626 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.337 -14.890 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.960 -14.413 7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.452 -15.784 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.734 -16.149 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.982 -17.365 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.783 -16.928 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.728 -19.197 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.338 -18.464 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.739 -18.238 5.680 1.00 0.00 H new ATOM 404 N LYS A 24 8.692 -14.770 2.952 1.00 0.00 N ATOM 405 CA LYS A 24 8.363 -15.896 2.084 1.00 0.00 C ATOM 406 C LYS A 24 9.296 -15.988 0.876 1.00 0.00 C ATOM 407 O LYS A 24 9.427 -17.050 0.266 1.00 0.00 O ATOM 408 CB LYS A 24 6.902 -15.811 1.657 1.00 0.00 C ATOM 409 CG LYS A 24 5.945 -16.171 2.784 1.00 0.00 C ATOM 410 CD LYS A 24 4.495 -16.081 2.351 1.00 0.00 C ATOM 411 CE LYS A 24 3.558 -16.556 3.447 1.00 0.00 C ATOM 412 NZ LYS A 24 3.833 -17.964 3.836 1.00 0.00 N ATOM 0 H LYS A 24 7.959 -14.063 3.007 1.00 0.00 H new ATOM 0 HA LYS A 24 8.510 -16.814 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.686 -14.801 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.734 -16.480 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.157 -17.182 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.113 -15.503 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.256 -15.051 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.343 -16.683 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.662 -15.911 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.526 -16.468 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.999 -18.361 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.044 -18.524 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.649 -17.993 4.480 1.00 0.00 H new ATOM 426 N ALA A 25 9.933 -14.879 0.525 1.00 0.00 N ATOM 427 CA ALA A 25 10.928 -14.868 -0.541 1.00 0.00 C ATOM 428 C ALA A 25 12.124 -15.745 -0.174 1.00 0.00 C ATOM 429 O ALA A 25 12.818 -16.258 -1.050 1.00 0.00 O ATOM 430 CB ALA A 25 11.382 -13.445 -0.835 1.00 0.00 C ATOM 0 H ALA A 25 9.778 -13.972 0.964 1.00 0.00 H new ATOM 0 HA ALA A 25 10.467 -15.276 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.124 -13.457 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.525 -12.847 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.822 -13.011 0.063 1.00 0.00 H new ATOM 436 N LYS A 26 12.353 -15.913 1.128 1.00 0.00 N ATOM 437 CA LYS A 26 13.410 -16.793 1.614 1.00 0.00 C ATOM 438 C LYS A 26 13.019 -18.248 1.382 1.00 0.00 C ATOM 439 O LYS A 26 13.874 -19.119 1.213 1.00 0.00 O ATOM 440 CB LYS A 26 13.683 -16.547 3.102 1.00 0.00 C ATOM 441 CG LYS A 26 14.111 -15.120 3.441 1.00 0.00 C ATOM 442 CD LYS A 26 15.503 -14.784 2.909 1.00 0.00 C ATOM 443 CE LYS A 26 15.479 -14.374 1.443 1.00 0.00 C ATOM 444 NZ LYS A 26 16.849 -14.153 0.909 1.00 0.00 N ATOM 0 H LYS A 26 11.819 -15.450 1.864 1.00 0.00 H new ATOM 0 HA LYS A 26 14.324 -16.576 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.783 -16.787 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.461 -17.235 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.388 -14.419 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.097 -14.987 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.931 -13.976 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.155 -15.649 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.981 -15.147 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.893 -13.462 1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.791 -13.875 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.315 -13.398 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.400 -15.031 0.993 1.00 0.00 H new ATOM 458 N GLU A 27 11.712 -18.500 1.399 1.00 0.00 N ATOM 459 CA GLU A 27 11.168 -19.813 1.078 1.00 0.00 C ATOM 460 C GLU A 27 11.260 -20.049 -0.428 1.00 0.00 C ATOM 461 O GLU A 27 11.690 -21.114 -0.880 1.00 0.00 O ATOM 462 CB GLU A 27 9.713 -19.909 1.548 1.00 0.00 C ATOM 463 CG GLU A 27 9.556 -19.748 3.052 1.00 0.00 C ATOM 464 CD GLU A 27 8.107 -19.717 3.496 1.00 0.00 C ATOM 465 OE1 GLU A 27 7.403 -20.730 3.312 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.672 -18.683 4.047 1.00 0.00 O ATOM 0 H GLU A 27 11.006 -17.803 1.634 1.00 0.00 H new ATOM 0 HA GLU A 27 11.747 -20.580 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.124 -19.143 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.304 -20.874 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.067 -20.569 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.046 -18.827 3.366 1.00 0.00 H new ATOM 473 N GLY A 28 10.853 -19.040 -1.187 1.00 0.00 N ATOM 474 CA GLY A 28 11.029 -19.055 -2.627 1.00 0.00 C ATOM 475 C GLY A 28 10.124 -20.045 -3.337 1.00 0.00 C ATOM 476 O GLY A 28 10.603 -21.003 -3.951 1.00 0.00 O ATOM 0 H GLY A 28 10.399 -18.201 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.839 -18.056 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.067 -19.295 -2.856 1.00 0.00 H new ATOM 480 N ASP A 29 8.818 -19.829 -3.256 1.00 0.00 N ATOM 481 CA ASP A 29 7.866 -20.661 -3.984 1.00 0.00 C ATOM 482 C ASP A 29 6.979 -19.802 -4.879 1.00 0.00 C ATOM 483 O ASP A 29 6.466 -18.770 -4.452 1.00 0.00 O ATOM 484 CB ASP A 29 7.006 -21.482 -3.022 1.00 0.00 C ATOM 485 CG ASP A 29 5.993 -22.337 -3.759 1.00 0.00 C ATOM 486 OD1 ASP A 29 6.344 -23.460 -4.177 1.00 0.00 O ATOM 487 OD2 ASP A 29 4.851 -21.883 -3.939 1.00 0.00 O ATOM 0 H ASP A 29 8.394 -19.089 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 29 8.434 -21.350 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.648 -22.121 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.486 -20.812 -2.337 1.00 0.00 H new ATOM 492 N GLU A 30 6.813 -20.239 -6.122 1.00 0.00 N ATOM 493 CA GLU A 30 6.063 -19.484 -7.118 1.00 0.00 C ATOM 494 C GLU A 30 4.581 -19.391 -6.756 1.00 0.00 C ATOM 495 O GLU A 30 3.958 -18.346 -6.932 1.00 0.00 O ATOM 496 CB GLU A 30 6.222 -20.144 -8.487 1.00 0.00 C ATOM 497 CG GLU A 30 5.600 -19.359 -9.632 1.00 0.00 C ATOM 498 CD GLU A 30 5.740 -20.069 -10.958 1.00 0.00 C ATOM 499 OE1 GLU A 30 6.881 -20.411 -11.340 1.00 0.00 O ATOM 500 OE2 GLU A 30 4.713 -20.281 -11.633 1.00 0.00 O ATOM 0 H GLU A 30 7.192 -21.121 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 30 6.463 -18.470 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.284 -20.282 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.772 -21.136 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.544 -19.191 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.072 -18.379 -9.696 1.00 0.00 H new ATOM 507 N GLN A 31 4.032 -20.481 -6.234 1.00 0.00 N ATOM 508 CA GLN A 31 2.616 -20.540 -5.885 1.00 0.00 C ATOM 509 C GLN A 31 2.335 -19.588 -4.735 1.00 0.00 C ATOM 510 O GLN A 31 1.366 -18.828 -4.752 1.00 0.00 O ATOM 511 CB GLN A 31 2.238 -21.960 -5.464 1.00 0.00 C ATOM 512 CG GLN A 31 2.743 -23.038 -6.406 1.00 0.00 C ATOM 513 CD GLN A 31 2.752 -24.403 -5.754 1.00 0.00 C ATOM 514 OE1 GLN A 31 1.795 -25.171 -5.861 1.00 0.00 O ATOM 515 NE2 GLN A 31 3.824 -24.699 -5.040 1.00 0.00 N ATOM 0 H GLN A 31 4.548 -21.340 -6.042 1.00 0.00 H new ATOM 0 HA GLN A 31 2.026 -20.253 -6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.633 -22.150 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.152 -22.031 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.114 -23.066 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.751 -22.787 -6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.595 -24.034 -4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.881 -25.593 -4.551 1.00 0.00 H new ATOM 524 N GLU A 32 3.214 -19.640 -3.748 1.00 0.00 N ATOM 525 CA GLU A 32 3.127 -18.777 -2.583 1.00 0.00 C ATOM 526 C GLU A 32 3.209 -17.307 -2.995 1.00 0.00 C ATOM 527 O GLU A 32 2.370 -16.493 -2.605 1.00 0.00 O ATOM 528 CB GLU A 32 4.267 -19.104 -1.618 1.00 0.00 C ATOM 529 CG GLU A 32 4.216 -18.317 -0.320 1.00 0.00 C ATOM 530 CD GLU A 32 3.161 -18.828 0.641 1.00 0.00 C ATOM 531 OE1 GLU A 32 1.957 -18.613 0.398 1.00 0.00 O ATOM 532 OE2 GLU A 32 3.541 -19.430 1.667 1.00 0.00 O ATOM 0 H GLU A 32 4.007 -20.281 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 32 2.169 -18.948 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.241 -20.169 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.218 -18.908 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.192 -18.361 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.018 -17.269 -0.544 1.00 0.00 H new ATOM 539 N LEU A 33 4.211 -16.984 -3.809 1.00 0.00 N ATOM 540 CA LEU A 33 4.428 -15.611 -4.254 1.00 0.00 C ATOM 541 C LEU A 33 3.256 -15.112 -5.094 1.00 0.00 C ATOM 542 O LEU A 33 2.854 -13.953 -4.981 1.00 0.00 O ATOM 543 CB LEU A 33 5.730 -15.500 -5.049 1.00 0.00 C ATOM 544 CG LEU A 33 7.005 -15.778 -4.251 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.221 -15.681 -5.152 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.135 -14.812 -3.082 1.00 0.00 C ATOM 0 H LEU A 33 4.886 -17.656 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 33 4.504 -14.983 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.686 -16.196 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.795 -14.497 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 33 6.943 -16.790 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.121 -15.881 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.138 -16.413 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.279 -14.679 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.049 -15.030 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.173 -13.789 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.276 -14.924 -2.420 1.00 0.00 H new ATOM 558 N ALA A 34 2.702 -15.990 -5.923 1.00 0.00 N ATOM 559 CA ALA A 34 1.551 -15.641 -6.749 1.00 0.00 C ATOM 560 C ALA A 34 0.349 -15.297 -5.876 1.00 0.00 C ATOM 561 O ALA A 34 -0.381 -14.344 -6.153 1.00 0.00 O ATOM 562 CB ALA A 34 1.206 -16.780 -7.700 1.00 0.00 C ATOM 0 H ALA A 34 3.031 -16.948 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 34 1.811 -14.764 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.345 -16.499 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.057 -16.982 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.968 -17.675 -7.125 1.00 0.00 H new ATOM 568 N ARG A 35 0.163 -16.070 -4.814 1.00 0.00 N ATOM 569 CA ARG A 35 -0.930 -15.841 -3.880 1.00 0.00 C ATOM 570 C ARG A 35 -0.731 -14.510 -3.162 1.00 0.00 C ATOM 571 O ARG A 35 -1.679 -13.754 -2.949 1.00 0.00 O ATOM 572 CB ARG A 35 -0.997 -16.981 -2.864 1.00 0.00 C ATOM 573 CG ARG A 35 -2.307 -17.047 -2.099 1.00 0.00 C ATOM 574 CD ARG A 35 -2.294 -18.171 -1.078 1.00 0.00 C ATOM 575 NE ARG A 35 -3.644 -18.583 -0.695 1.00 0.00 N ATOM 576 CZ ARG A 35 -3.906 -19.651 0.061 1.00 0.00 C ATOM 577 NH1 ARG A 35 -2.910 -20.327 0.623 1.00 0.00 N ATOM 578 NH2 ARG A 35 -5.162 -20.029 0.268 1.00 0.00 N ATOM 0 H ARG A 35 0.758 -16.864 -4.578 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.868 -15.807 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.843 -17.927 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.178 -16.870 -2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.484 -16.097 -1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.131 -17.196 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.757 -19.026 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.749 -17.848 -0.191 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.430 -18.022 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.945 -20.030 0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.110 -21.143 1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.929 -19.503 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.360 -20.846 0.846 1.00 0.00 H new ATOM 592 N LEU A 36 0.515 -14.232 -2.806 1.00 0.00 N ATOM 593 CA LEU A 36 0.871 -12.977 -2.156 1.00 0.00 C ATOM 594 C LEU A 36 0.617 -11.796 -3.085 1.00 0.00 C ATOM 595 O LEU A 36 0.112 -10.758 -2.657 1.00 0.00 O ATOM 596 CB LEU A 36 2.339 -13.005 -1.737 1.00 0.00 C ATOM 597 CG LEU A 36 2.702 -14.088 -0.722 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.207 -14.146 -0.517 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.995 -13.835 0.602 1.00 0.00 C ATOM 0 H LEU A 36 1.302 -14.863 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 36 0.247 -12.859 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.952 -13.143 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.600 -12.033 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 36 2.371 -15.050 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.446 -14.923 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.695 -14.373 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.561 -13.184 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.265 -14.616 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.297 -12.865 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.916 -13.843 0.446 1.00 0.00 H new ATOM 611 N ASN A 37 0.963 -11.965 -4.357 1.00 0.00 N ATOM 612 CA ASN A 37 0.741 -10.929 -5.366 1.00 0.00 C ATOM 613 C ASN A 37 -0.738 -10.567 -5.445 1.00 0.00 C ATOM 614 O ASN A 37 -1.100 -9.390 -5.456 1.00 0.00 O ATOM 615 CB ASN A 37 1.249 -11.400 -6.735 1.00 0.00 C ATOM 616 CG ASN A 37 1.021 -10.373 -7.833 1.00 0.00 C ATOM 617 OD1 ASN A 37 1.832 -9.472 -8.033 1.00 0.00 O ATOM 618 ND2 ASN A 37 -0.073 -10.521 -8.565 1.00 0.00 N ATOM 0 H ASN A 37 1.401 -12.813 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 37 1.299 -10.039 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.314 -11.621 -6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.747 -12.330 -7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.268 -9.873 -9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.721 -11.283 -8.365 1.00 0.00 H new ATOM 625 N GLN A 38 -1.592 -11.590 -5.472 1.00 0.00 N ATOM 626 CA GLN A 38 -3.022 -11.402 -5.485 1.00 0.00 C ATOM 627 C GLN A 38 -3.478 -10.627 -4.253 1.00 0.00 C ATOM 628 O GLN A 38 -4.316 -9.728 -4.341 1.00 0.00 O ATOM 629 CB GLN A 38 -3.691 -12.770 -5.514 1.00 0.00 C ATOM 630 CG GLN A 38 -3.459 -13.559 -6.794 1.00 0.00 C ATOM 631 CD GLN A 38 -4.155 -12.958 -8.003 1.00 0.00 C ATOM 632 OE1 GLN A 38 -4.347 -11.744 -8.100 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.551 -13.809 -8.935 1.00 0.00 N ATOM 0 H GLN A 38 -1.301 -12.567 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.302 -10.826 -6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.327 -13.356 -4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.764 -12.639 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.388 -13.614 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.810 -14.581 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.375 -14.807 -8.822 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.032 -13.467 -9.767 1.00 0.00 H new ATOM 642 N GLU A 39 -2.901 -10.979 -3.111 1.00 0.00 N ATOM 643 CA GLU A 39 -3.240 -10.355 -1.838 1.00 0.00 C ATOM 644 C GLU A 39 -2.849 -8.872 -1.840 1.00 0.00 C ATOM 645 O GLU A 39 -3.590 -8.026 -1.334 1.00 0.00 O ATOM 646 CB GLU A 39 -2.535 -11.092 -0.696 1.00 0.00 C ATOM 647 CG GLU A 39 -3.105 -10.791 0.679 1.00 0.00 C ATOM 648 CD GLU A 39 -4.537 -11.262 0.836 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.755 -12.489 0.940 1.00 0.00 O ATOM 650 OE2 GLU A 39 -5.446 -10.410 0.881 1.00 0.00 O ATOM 0 H GLU A 39 -2.186 -11.703 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.318 -10.420 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.597 -12.165 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.477 -10.828 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.485 -11.269 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.058 -9.717 0.860 1.00 0.00 H new ATOM 657 N ILE A 40 -1.690 -8.564 -2.423 1.00 0.00 N ATOM 658 CA ILE A 40 -1.227 -7.182 -2.531 1.00 0.00 C ATOM 659 C ILE A 40 -2.204 -6.347 -3.350 1.00 0.00 C ATOM 660 O ILE A 40 -2.639 -5.277 -2.920 1.00 0.00 O ATOM 661 CB ILE A 40 0.176 -7.087 -3.180 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.218 -7.801 -2.318 1.00 0.00 C ATOM 663 CG2 ILE A 40 0.573 -5.628 -3.389 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.608 -7.825 -2.926 1.00 0.00 C ATOM 0 H ILE A 40 -1.056 -9.253 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.167 -6.794 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 40 0.135 -7.578 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.266 -7.312 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.891 -8.826 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.562 -5.582 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.152 -5.144 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.593 -5.115 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.289 -8.348 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.576 -8.340 -3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.958 -6.803 -3.074 1.00 0.00 H new ATOM 676 N VAL A 41 -2.556 -6.853 -4.530 1.00 0.00 N ATOM 677 CA VAL A 41 -3.469 -6.148 -5.424 1.00 0.00 C ATOM 678 C VAL A 41 -4.835 -5.961 -4.767 1.00 0.00 C ATOM 679 O VAL A 41 -5.432 -4.885 -4.841 1.00 0.00 O ATOM 680 CB VAL A 41 -3.638 -6.903 -6.766 1.00 0.00 C ATOM 681 CG1 VAL A 41 -4.590 -6.161 -7.696 1.00 0.00 C ATOM 682 CG2 VAL A 41 -2.290 -7.113 -7.441 1.00 0.00 C ATOM 0 H VAL A 41 -2.223 -7.748 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.033 -5.170 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.070 -7.880 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.690 -6.713 -8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.567 -6.072 -7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.195 -5.166 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.433 -7.645 -8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.827 -6.146 -7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.643 -7.699 -6.788 1.00 0.00 H new ATOM 692 N LYS A 42 -5.310 -7.009 -4.108 1.00 0.00 N ATOM 693 CA LYS A 42 -6.613 -6.983 -3.458 1.00 0.00 C ATOM 694 C LYS A 42 -6.652 -5.961 -2.320 1.00 0.00 C ATOM 695 O LYS A 42 -7.581 -5.158 -2.223 1.00 0.00 O ATOM 696 CB LYS A 42 -6.938 -8.373 -2.904 1.00 0.00 C ATOM 697 CG LYS A 42 -8.288 -8.457 -2.207 1.00 0.00 C ATOM 698 CD LYS A 42 -8.374 -9.668 -1.287 1.00 0.00 C ATOM 699 CE LYS A 42 -8.284 -10.981 -2.051 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.458 -11.196 -2.937 1.00 0.00 N ATOM 0 H LYS A 42 -4.809 -7.892 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.355 -6.692 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.916 -9.094 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.158 -8.665 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.456 -7.548 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.080 -8.511 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.570 -9.622 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.313 -9.636 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.373 -10.990 -2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.209 -11.807 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.432 -12.163 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.333 -11.063 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.431 -10.513 -3.721 1.00 0.00 H new ATOM 714 N ALA A 43 -5.637 -5.996 -1.466 1.00 0.00 N ATOM 715 CA ALA A 43 -5.610 -5.155 -0.275 1.00 0.00 C ATOM 716 C ALA A 43 -5.395 -3.683 -0.602 1.00 0.00 C ATOM 717 O ALA A 43 -6.152 -2.825 -0.140 1.00 0.00 O ATOM 718 CB ALA A 43 -4.539 -5.646 0.687 1.00 0.00 C ATOM 0 H ALA A 43 -4.821 -6.598 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.589 -5.234 0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.527 -5.011 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.756 -6.673 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.565 -5.606 0.199 1.00 0.00 H new ATOM 724 N GLU A 44 -4.385 -3.387 -1.413 1.00 0.00 N ATOM 725 CA GLU A 44 -4.010 -2.001 -1.651 1.00 0.00 C ATOM 726 C GLU A 44 -5.057 -1.279 -2.492 1.00 0.00 C ATOM 727 O GLU A 44 -5.422 -0.147 -2.181 1.00 0.00 O ATOM 728 CB GLU A 44 -2.619 -1.888 -2.287 1.00 0.00 C ATOM 729 CG GLU A 44 -2.173 -0.446 -2.459 1.00 0.00 C ATOM 730 CD GLU A 44 -0.667 -0.267 -2.461 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.068 -0.082 -1.388 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.052 -0.236 -3.524 1.00 0.00 O ATOM 0 H GLU A 44 -3.820 -4.077 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.965 -1.510 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.895 -2.417 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.626 -2.381 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.577 -0.060 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.600 0.155 -1.656 1.00 0.00 H new ATOM 739 N LYS A 45 -5.562 -1.934 -3.535 1.00 0.00 N ATOM 740 CA LYS A 45 -6.584 -1.326 -4.383 1.00 0.00 C ATOM 741 C LYS A 45 -7.839 -1.006 -3.572 1.00 0.00 C ATOM 742 O LYS A 45 -8.489 0.021 -3.800 1.00 0.00 O ATOM 743 CB LYS A 45 -6.919 -2.219 -5.582 1.00 0.00 C ATOM 744 CG LYS A 45 -8.158 -1.773 -6.347 1.00 0.00 C ATOM 745 CD LYS A 45 -8.168 -2.277 -7.780 1.00 0.00 C ATOM 746 CE LYS A 45 -7.191 -1.494 -8.647 1.00 0.00 C ATOM 747 NZ LYS A 45 -7.350 -1.818 -10.087 1.00 0.00 N ATOM 0 H LYS A 45 -5.284 -2.876 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.181 -0.391 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.068 -2.234 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.066 -3.241 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.049 -2.133 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.209 -0.684 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.907 -3.335 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.174 -2.190 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.346 -0.426 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.170 -1.715 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.668 -1.265 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.177 -2.833 -10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.316 -1.583 -10.391 1.00 0.00 H new ATOM 761 N GLN A 46 -8.169 -1.879 -2.625 1.00 0.00 N ATOM 762 CA GLN A 46 -9.282 -1.635 -1.718 1.00 0.00 C ATOM 763 C GLN A 46 -9.019 -0.372 -0.907 1.00 0.00 C ATOM 764 O GLN A 46 -9.890 0.489 -0.772 1.00 0.00 O ATOM 765 CB GLN A 46 -9.477 -2.825 -0.775 1.00 0.00 C ATOM 766 CG GLN A 46 -10.758 -2.745 0.042 1.00 0.00 C ATOM 767 CD GLN A 46 -12.006 -2.780 -0.821 1.00 0.00 C ATOM 768 OE1 GLN A 46 -12.030 -3.410 -1.879 1.00 0.00 O ATOM 769 NE2 GLN A 46 -13.048 -2.094 -0.382 1.00 0.00 N ATOM 0 H GLN A 46 -7.681 -2.761 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.190 -1.505 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.485 -3.745 -1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.626 -2.885 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.786 -3.575 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.753 -1.827 0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.989 -1.585 0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.911 -2.074 -0.925 1.00 0.00 H new ATOM 778 N GLY A 47 -7.800 -0.266 -0.383 1.00 0.00 N ATOM 779 CA GLY A 47 -7.405 0.903 0.379 1.00 0.00 C ATOM 780 C GLY A 47 -7.417 2.172 -0.453 1.00 0.00 C ATOM 781 O GLY A 47 -7.797 3.235 0.039 1.00 0.00 O ATOM 0 H GLY A 47 -7.074 -0.977 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.078 1.023 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.405 0.748 0.784 1.00 0.00 H new ATOM 785 N VAL A 48 -7.020 2.054 -1.720 1.00 0.00 N ATOM 786 CA VAL A 48 -7.014 3.190 -2.642 1.00 0.00 C ATOM 787 C VAL A 48 -8.402 3.813 -2.746 1.00 0.00 C ATOM 788 O VAL A 48 -8.545 5.035 -2.751 1.00 0.00 O ATOM 789 CB VAL A 48 -6.534 2.780 -4.056 1.00 0.00 C ATOM 790 CG1 VAL A 48 -6.643 3.942 -5.036 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.102 2.266 -4.011 1.00 0.00 C ATOM 0 H VAL A 48 -6.697 1.179 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.315 3.921 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.185 1.978 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.299 3.622 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.682 4.265 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.027 4.771 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.785 1.984 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.446 3.049 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.048 1.397 -3.355 1.00 0.00 H new ATOM 801 N LYS A 49 -9.428 2.971 -2.807 1.00 0.00 N ATOM 802 CA LYS A 49 -10.795 3.460 -2.903 1.00 0.00 C ATOM 803 C LYS A 49 -11.172 4.215 -1.633 1.00 0.00 C ATOM 804 O LYS A 49 -11.725 5.308 -1.702 1.00 0.00 O ATOM 805 CB LYS A 49 -11.784 2.317 -3.146 1.00 0.00 C ATOM 806 CG LYS A 49 -12.809 2.616 -4.235 1.00 0.00 C ATOM 807 CD LYS A 49 -13.445 3.989 -4.064 1.00 0.00 C ATOM 808 CE LYS A 49 -14.513 4.253 -5.113 1.00 0.00 C ATOM 809 NZ LYS A 49 -14.953 5.675 -5.114 1.00 0.00 N ATOM 0 H LYS A 49 -9.339 1.955 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.848 4.137 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.229 1.419 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.308 2.098 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.327 2.560 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.587 1.853 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.886 4.064 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.674 4.757 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.126 3.992 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.372 3.608 -4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.849 5.761 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.089 5.997 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.228 6.262 -5.574 1.00 0.00 H new ATOM 823 N VAL A 50 -10.843 3.637 -0.481 1.00 0.00 N ATOM 824 CA VAL A 50 -11.128 4.270 0.806 1.00 0.00 C ATOM 825 C VAL A 50 -10.418 5.619 0.907 1.00 0.00 C ATOM 826 O VAL A 50 -11.004 6.607 1.347 1.00 0.00 O ATOM 827 CB VAL A 50 -10.696 3.372 1.991 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.037 4.029 3.321 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.347 1.999 1.891 1.00 0.00 C ATOM 0 H VAL A 50 -10.379 2.731 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.206 4.419 0.862 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.615 3.244 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.724 3.379 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.519 4.985 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.113 4.194 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.030 1.384 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.431 2.108 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.046 1.521 0.959 1.00 0.00 H new ATOM 839 N TYR A 51 -9.163 5.654 0.474 1.00 0.00 N ATOM 840 CA TYR A 51 -8.397 6.894 0.441 1.00 0.00 C ATOM 841 C TYR A 51 -9.050 7.914 -0.487 1.00 0.00 C ATOM 842 O TYR A 51 -9.159 9.089 -0.149 1.00 0.00 O ATOM 843 CB TYR A 51 -6.956 6.622 0.001 1.00 0.00 C ATOM 844 CG TYR A 51 -6.017 6.334 1.153 1.00 0.00 C ATOM 845 CD1 TYR A 51 -6.068 5.127 1.841 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.083 7.278 1.556 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.219 4.878 2.903 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.235 7.038 2.617 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.302 5.834 3.281 1.00 0.00 C ATOM 850 OH TYR A 51 -3.462 5.594 4.343 1.00 0.00 O ATOM 0 H TYR A 51 -8.653 4.836 0.140 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.383 7.309 1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.948 5.775 -0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.585 7.484 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.781 4.373 1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.019 8.218 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.274 3.939 3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.523 7.790 2.925 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.877 4.944 4.948 1.00 0.00 H new ATOM 860 N LYS A 52 -9.494 7.452 -1.649 1.00 0.00 N ATOM 861 CA LYS A 52 -10.157 8.316 -2.620 1.00 0.00 C ATOM 862 C LYS A 52 -11.458 8.863 -2.036 1.00 0.00 C ATOM 863 O LYS A 52 -11.787 10.035 -2.218 1.00 0.00 O ATOM 864 CB LYS A 52 -10.432 7.535 -3.908 1.00 0.00 C ATOM 865 CG LYS A 52 -10.706 8.407 -5.122 1.00 0.00 C ATOM 866 CD LYS A 52 -10.838 7.559 -6.376 1.00 0.00 C ATOM 867 CE LYS A 52 -10.971 8.408 -7.627 1.00 0.00 C ATOM 868 NZ LYS A 52 -9.758 9.232 -7.880 1.00 0.00 N ATOM 0 H LYS A 52 -9.407 6.479 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.505 9.157 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.576 6.895 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.287 6.879 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.621 8.979 -4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.898 9.127 -5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.966 6.911 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.709 6.910 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.154 7.761 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.838 9.061 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.790 9.608 -8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.727 10.021 -7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.908 8.644 -7.764 1.00 0.00 H new ATOM 882 N GLU A 53 -12.180 8.002 -1.327 1.00 0.00 N ATOM 883 CA GLU A 53 -13.394 8.389 -0.634 1.00 0.00 C ATOM 884 C GLU A 53 -13.098 9.441 0.435 1.00 0.00 C ATOM 885 O GLU A 53 -13.805 10.445 0.548 1.00 0.00 O ATOM 886 CB GLU A 53 -14.024 7.157 0.013 1.00 0.00 C ATOM 887 CG GLU A 53 -14.566 6.141 -0.980 1.00 0.00 C ATOM 888 CD GLU A 53 -15.720 6.671 -1.804 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.876 6.576 -1.343 1.00 0.00 O ATOM 890 OE2 GLU A 53 -15.480 7.170 -2.924 1.00 0.00 O ATOM 0 H GLU A 53 -11.936 7.017 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.087 8.821 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.280 6.671 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.835 7.478 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.763 5.831 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.892 5.252 -0.440 1.00 0.00 H new ATOM 897 N ALA A 54 -12.044 9.201 1.207 1.00 0.00 N ATOM 898 CA ALA A 54 -11.641 10.102 2.278 1.00 0.00 C ATOM 899 C ALA A 54 -11.149 11.438 1.729 1.00 0.00 C ATOM 900 O ALA A 54 -11.347 12.479 2.351 1.00 0.00 O ATOM 901 CB ALA A 54 -10.567 9.457 3.139 1.00 0.00 C ATOM 0 H ALA A 54 -11.448 8.379 1.108 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.518 10.297 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.277 10.144 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.955 8.538 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.697 9.227 2.524 1.00 0.00 H new ATOM 907 N ALA A 55 -10.505 11.403 0.566 1.00 0.00 N ATOM 908 CA ALA A 55 -10.004 12.618 -0.073 1.00 0.00 C ATOM 909 C ALA A 55 -11.140 13.606 -0.326 1.00 0.00 C ATOM 910 O ALA A 55 -11.002 14.806 -0.095 1.00 0.00 O ATOM 911 CB ALA A 55 -9.289 12.282 -1.377 1.00 0.00 C ATOM 0 H ALA A 55 -10.317 10.546 0.046 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.289 13.086 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.923 13.199 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.449 11.619 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.984 11.787 -2.056 1.00 0.00 H new ATOM 917 N GLU A 56 -12.273 13.084 -0.769 1.00 0.00 N ATOM 918 CA GLU A 56 -13.435 13.911 -1.054 1.00 0.00 C ATOM 919 C GLU A 56 -14.232 14.179 0.218 1.00 0.00 C ATOM 920 O GLU A 56 -15.255 14.863 0.193 1.00 0.00 O ATOM 921 CB GLU A 56 -14.323 13.221 -2.089 1.00 0.00 C ATOM 922 CG GLU A 56 -13.599 12.881 -3.383 1.00 0.00 C ATOM 923 CD GLU A 56 -14.514 12.250 -4.408 1.00 0.00 C ATOM 924 OE1 GLU A 56 -14.661 11.010 -4.402 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.084 12.990 -5.233 1.00 0.00 O ATOM 0 H GLU A 56 -12.413 12.088 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.091 14.865 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.726 12.305 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.171 13.867 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.162 13.788 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.776 12.200 -3.167 1.00 0.00 H new ATOM 932 N LYS A 57 -13.758 13.636 1.327 1.00 0.00 N ATOM 933 CA LYS A 57 -14.448 13.757 2.599 1.00 0.00 C ATOM 934 C LYS A 57 -13.677 14.682 3.544 1.00 0.00 C ATOM 935 O LYS A 57 -14.218 15.170 4.539 1.00 0.00 O ATOM 936 CB LYS A 57 -14.612 12.367 3.213 1.00 0.00 C ATOM 937 CG LYS A 57 -15.498 12.321 4.443 1.00 0.00 C ATOM 938 CD LYS A 57 -15.615 10.909 4.987 1.00 0.00 C ATOM 939 CE LYS A 57 -16.501 10.857 6.220 1.00 0.00 C ATOM 940 NZ LYS A 57 -15.939 11.654 7.342 1.00 0.00 N ATOM 0 H LYS A 57 -12.890 13.102 1.371 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.433 14.196 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.025 11.697 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.627 11.982 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.090 12.977 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.489 12.700 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.023 10.254 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.623 10.530 5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.493 11.232 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.622 9.821 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.508 11.498 8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.958 11.359 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.957 12.664 7.094 1.00 0.00 H new ATOM 954 N ALA A 58 -12.413 14.929 3.211 1.00 0.00 N ATOM 955 CA ALA A 58 -11.551 15.785 4.019 1.00 0.00 C ATOM 956 C ALA A 58 -11.915 17.254 3.847 1.00 0.00 C ATOM 957 O ALA A 58 -11.590 18.087 4.700 1.00 0.00 O ATOM 958 CB ALA A 58 -10.092 15.560 3.655 1.00 0.00 C ATOM 0 H ALA A 58 -11.961 14.545 2.381 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.701 15.520 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.461 16.205 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.828 14.518 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.939 15.795 2.602 1.00 0.00 H new ATOM 964 N ARG A 59 -12.593 17.554 2.734 1.00 0.00 N ATOM 965 CA ARG A 59 -13.066 18.906 2.414 1.00 0.00 C ATOM 966 C ARG A 59 -11.904 19.836 2.060 1.00 0.00 C ATOM 967 O ARG A 59 -11.736 20.218 0.901 1.00 0.00 O ATOM 968 CB ARG A 59 -13.874 19.505 3.572 1.00 0.00 C ATOM 969 CG ARG A 59 -14.979 18.599 4.084 1.00 0.00 C ATOM 970 CD ARG A 59 -15.638 19.182 5.319 1.00 0.00 C ATOM 971 NE ARG A 59 -16.449 18.194 6.020 1.00 0.00 N ATOM 972 CZ ARG A 59 -16.739 18.258 7.317 1.00 0.00 C ATOM 973 NH1 ARG A 59 -16.317 19.286 8.043 1.00 0.00 N ATOM 974 NH2 ARG A 59 -17.458 17.297 7.882 1.00 0.00 N ATOM 0 H ARG A 59 -12.831 16.861 2.025 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.717 18.815 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.196 19.735 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.313 20.448 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.726 18.455 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.569 17.616 4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.872 19.566 5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.263 20.027 5.032 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.816 17.407 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.770 20.028 7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.540 19.334 9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.788 16.511 7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.681 17.344 8.876 1.00 0.00 H new ATOM 988 N ASN A 60 -11.105 20.184 3.064 1.00 0.00 N ATOM 989 CA ASN A 60 -10.012 21.138 2.896 1.00 0.00 C ATOM 990 C ASN A 60 -8.932 20.568 1.980 1.00 0.00 C ATOM 991 O ASN A 60 -8.394 19.490 2.242 1.00 0.00 O ATOM 992 CB ASN A 60 -9.420 21.503 4.266 1.00 0.00 C ATOM 993 CG ASN A 60 -8.304 22.534 4.182 1.00 0.00 C ATOM 994 OD1 ASN A 60 -8.258 23.350 3.265 1.00 0.00 O ATOM 995 ND2 ASN A 60 -7.407 22.518 5.154 1.00 0.00 N ATOM 0 H ASN A 60 -11.195 19.816 4.011 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.406 22.041 2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.214 21.888 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.037 20.600 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.647 23.198 5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.476 21.826 5.900 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.615 21.288 0.884 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.616 20.873 -0.113 1.00 0.00 C ATOM 1004 C PRO A 61 -6.267 20.486 0.493 1.00 0.00 C ATOM 1005 O PRO A 61 -5.528 19.697 -0.093 1.00 0.00 O ATOM 1006 CB PRO A 61 -7.452 22.109 -1.011 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.161 23.219 -0.309 1.00 0.00 C ATOM 1008 CD PRO A 61 -9.232 22.568 0.511 1.00 0.00 C ATOM 0 HA PRO A 61 -7.949 19.978 -0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.399 22.349 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.880 21.935 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.475 23.783 0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.589 23.922 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.491 23.164 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.149 22.425 -0.060 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.949 21.029 1.662 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.674 20.735 2.312 1.00 0.00 C ATOM 1018 C GLU A 62 -4.592 19.265 2.688 1.00 0.00 C ATOM 1019 O GLU A 62 -3.596 18.593 2.424 1.00 0.00 O ATOM 1020 CB GLU A 62 -4.530 21.576 3.568 1.00 0.00 C ATOM 1021 CG GLU A 62 -3.115 21.623 4.113 1.00 0.00 C ATOM 1022 CD GLU A 62 -3.040 22.328 5.447 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -3.025 23.574 5.466 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -3.000 21.641 6.487 1.00 0.00 O ATOM 0 H GLU A 62 -6.551 21.671 2.178 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.871 20.970 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.861 22.592 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.193 21.180 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.734 20.607 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.469 22.132 3.398 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.666 18.767 3.276 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.758 17.355 3.629 1.00 0.00 C ATOM 1033 C LYS A 63 -5.974 16.531 2.368 1.00 0.00 C ATOM 1034 O LYS A 63 -5.527 15.388 2.262 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.910 17.111 4.611 1.00 0.00 C ATOM 1036 CG LYS A 63 -6.768 17.832 5.944 1.00 0.00 C ATOM 1037 CD LYS A 63 -7.937 17.523 6.865 1.00 0.00 C ATOM 1038 CE LYS A 63 -7.803 18.237 8.199 1.00 0.00 C ATOM 1039 NZ LYS A 63 -8.938 17.933 9.108 1.00 0.00 N ATOM 0 H LYS A 63 -6.489 19.318 3.521 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.828 17.055 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.843 17.423 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.990 16.040 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.836 17.534 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.710 18.907 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.868 17.822 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.995 16.447 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.868 17.943 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.751 19.313 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.808 18.440 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.829 18.237 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.973 16.910 9.289 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.652 17.146 1.410 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.974 16.511 0.144 1.00 0.00 C ATOM 1055 C ARG A 64 -5.692 16.166 -0.618 1.00 0.00 C ATOM 1056 O ARG A 64 -5.567 15.079 -1.176 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.853 17.462 -0.673 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.892 16.777 -1.545 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.864 17.800 -2.122 1.00 0.00 C ATOM 1060 NE ARG A 64 -11.033 17.178 -2.741 1.00 0.00 N ATOM 1061 CZ ARG A 64 -12.296 17.515 -2.452 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.548 18.464 -1.553 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -13.304 16.916 -3.077 1.00 0.00 N ATOM 0 H ARG A 64 -6.995 18.103 1.491 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.515 15.582 0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.363 18.141 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.211 18.072 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.398 16.239 -2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.438 16.039 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.192 18.472 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.347 18.410 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.877 16.445 -3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.777 18.937 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.512 18.718 -1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.116 16.199 -3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.266 17.173 -2.856 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.738 17.095 -0.624 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.466 16.897 -1.295 1.00 0.00 C ATOM 1079 C GLN A 65 -2.627 15.818 -0.621 1.00 0.00 C ATOM 1080 O GLN A 65 -1.938 15.054 -1.297 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.701 18.211 -1.328 1.00 0.00 C ATOM 1082 CG GLN A 65 -3.278 19.225 -2.300 1.00 0.00 C ATOM 1083 CD GLN A 65 -2.538 20.545 -2.276 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -1.247 20.499 -1.987 1.00 0.00 O flip ATOM 1085 NE2 GLN A 65 -3.120 21.600 -2.532 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.829 18.001 -0.164 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.670 16.560 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.693 18.643 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.664 18.011 -1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.246 18.814 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.327 19.397 -2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.116 21.593 -2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.605 22.481 -2.526 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.683 15.760 0.706 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.936 14.754 1.453 1.00 0.00 C ATOM 1096 C VAL A 66 -2.380 13.355 1.038 1.00 0.00 C ATOM 1097 O VAL A 66 -1.555 12.490 0.742 1.00 0.00 O ATOM 1098 CB VAL A 66 -2.116 14.920 2.980 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.372 13.829 3.740 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.644 16.296 3.423 1.00 0.00 C ATOM 0 H VAL A 66 -3.235 16.394 1.284 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.880 14.892 1.220 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.178 14.825 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.515 13.969 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.759 12.853 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.309 13.883 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.777 16.397 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.589 16.416 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.227 17.062 2.912 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.690 13.156 0.990 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.256 11.886 0.565 1.00 0.00 C ATOM 1112 C ILE A 67 -3.989 11.652 -0.924 1.00 0.00 C ATOM 1113 O ILE A 67 -3.696 10.535 -1.345 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.777 11.845 0.833 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.052 12.087 2.319 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.361 10.510 0.401 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.524 12.188 2.666 1.00 0.00 C ATOM 0 H ILE A 67 -4.382 13.862 1.242 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.777 11.095 1.142 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.255 12.633 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.608 11.276 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.553 13.007 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.433 10.501 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.187 10.365 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.883 9.706 0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.634 12.360 3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.971 13.017 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.027 11.260 2.394 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.079 12.724 -1.702 1.00 0.00 N ATOM 1130 CA ASP A 68 -3.854 12.675 -3.148 1.00 0.00 C ATOM 1131 C ASP A 68 -2.467 12.134 -3.478 1.00 0.00 C ATOM 1132 O ASP A 68 -2.316 11.299 -4.369 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.011 14.077 -3.736 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.902 14.098 -5.246 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -2.770 14.218 -5.770 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -4.953 14.021 -5.918 1.00 0.00 O ATOM 0 H ASP A 68 -4.310 13.654 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.592 12.002 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.979 14.483 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.248 14.731 -3.313 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.458 12.619 -2.760 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.087 12.155 -2.973 1.00 0.00 C ATOM 1143 C LYS A 69 0.029 10.658 -2.724 1.00 0.00 C ATOM 1144 O LYS A 69 0.639 9.937 -3.516 1.00 0.00 O ATOM 1145 CB LYS A 69 0.908 12.906 -2.080 1.00 0.00 C ATOM 1146 CG LYS A 69 1.010 14.390 -2.391 1.00 0.00 C ATOM 1147 CD LYS A 69 1.168 14.650 -3.882 1.00 0.00 C ATOM 1148 CE LYS A 69 2.407 13.980 -4.457 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.479 14.144 -5.935 1.00 0.00 N ATOM 0 H LYS A 69 -1.560 13.326 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 69 0.161 12.361 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.613 12.782 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.893 12.453 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.118 14.899 -2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.860 14.815 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.285 14.287 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.224 15.724 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.299 14.407 -3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.397 12.919 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.335 13.676 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.639 13.715 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.513 15.156 -6.171 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.574 10.194 -1.636 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.567 8.774 -1.313 1.00 0.00 C ATOM 1165 C ILE A 70 -1.313 7.993 -2.390 1.00 0.00 C ATOM 1166 O ILE A 70 -0.874 6.930 -2.821 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.207 8.502 0.070 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.471 9.289 1.161 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.185 7.010 0.386 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.050 9.101 2.549 1.00 0.00 C ATOM 0 H ILE A 70 -1.072 10.779 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 70 0.471 8.445 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.245 8.833 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.576 8.986 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.494 10.349 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.639 6.838 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.746 6.468 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.154 6.656 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.476 9.689 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.089 9.431 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.002 8.047 2.823 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.422 8.564 -2.844 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.262 7.953 -3.859 1.00 0.00 C ATOM 1184 C LEU A 71 -2.481 7.657 -5.134 1.00 0.00 C ATOM 1185 O LEU A 71 -2.498 6.528 -5.625 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.433 8.893 -4.163 1.00 0.00 C ATOM 1187 CG LEU A 71 -5.640 8.751 -3.238 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -6.681 9.814 -3.554 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.244 7.363 -3.368 1.00 0.00 C ATOM 0 H LEU A 71 -2.763 9.467 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.632 7.001 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.075 9.921 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.759 8.720 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.306 8.890 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.534 9.698 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.244 10.803 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.012 9.704 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.103 7.276 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.564 7.200 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.499 6.615 -3.097 1.00 0.00 H new ATOM 1201 N GLU A 72 -1.761 8.661 -5.628 1.00 0.00 N ATOM 1202 CA GLU A 72 -0.996 8.537 -6.869 1.00 0.00 C ATOM 1203 C GLU A 72 -0.003 7.397 -6.787 1.00 0.00 C ATOM 1204 O GLU A 72 0.133 6.604 -7.723 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.227 9.829 -7.133 1.00 0.00 C ATOM 1206 CG GLU A 72 0.533 9.830 -8.447 1.00 0.00 C ATOM 1207 CD GLU A 72 1.708 10.784 -8.434 1.00 0.00 C ATOM 1208 OE1 GLU A 72 2.818 10.360 -8.038 1.00 0.00 O ATOM 1209 OE2 GLU A 72 1.537 11.958 -8.820 1.00 0.00 O ATOM 0 H GLU A 72 -1.690 9.577 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.701 8.340 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.926 10.665 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.476 9.996 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.890 8.822 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.145 10.104 -9.255 1.00 0.00 H new ATOM 1216 N ASP A 73 0.693 7.323 -5.670 1.00 0.00 N ATOM 1217 CA ASP A 73 1.712 6.306 -5.485 1.00 0.00 C ATOM 1218 C ASP A 73 1.105 4.918 -5.364 1.00 0.00 C ATOM 1219 O ASP A 73 1.666 3.961 -5.877 1.00 0.00 O ATOM 1220 CB ASP A 73 2.610 6.624 -4.291 1.00 0.00 C ATOM 1221 CG ASP A 73 3.618 7.707 -4.624 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.463 7.483 -5.521 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.568 8.793 -4.012 1.00 0.00 O ATOM 0 H ASP A 73 0.573 7.953 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 73 2.337 6.311 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.997 6.944 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.135 5.721 -3.979 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.044 4.799 -4.714 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.697 3.498 -4.605 1.00 0.00 C ATOM 1230 C GLU A 74 -1.195 3.036 -5.982 1.00 0.00 C ATOM 1231 O GLU A 74 -1.096 1.857 -6.318 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.847 3.534 -3.593 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.462 4.069 -2.213 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.378 3.269 -1.501 1.00 0.00 C ATOM 1235 OE1 GLU A 74 0.229 2.359 -2.115 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.122 3.550 -0.303 1.00 0.00 O ATOM 0 H GLU A 74 -0.537 5.569 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 74 0.037 2.780 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.650 4.151 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.246 2.526 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.124 5.100 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.352 4.089 -1.584 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.706 3.977 -6.785 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.041 3.709 -8.189 1.00 0.00 C ATOM 1245 C GLU A 75 -0.800 3.206 -8.929 1.00 0.00 C ATOM 1246 O GLU A 75 -0.858 2.274 -9.733 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.539 4.997 -8.864 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.034 5.277 -8.735 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.267 6.671 -8.201 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -3.307 7.455 -8.273 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.296 6.914 -7.549 1.00 0.00 O ATOM 0 H GLU A 75 -1.897 4.933 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.824 2.952 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.992 5.841 -8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.287 4.951 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.516 5.168 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.491 4.545 -8.069 1.00 0.00 H new ATOM 1258 N LYS A 76 0.320 3.838 -8.611 1.00 0.00 N ATOM 1259 CA LYS A 76 1.611 3.560 -9.228 1.00 0.00 C ATOM 1260 C LYS A 76 2.132 2.179 -8.824 1.00 0.00 C ATOM 1261 O LYS A 76 2.687 1.446 -9.642 1.00 0.00 O ATOM 1262 CB LYS A 76 2.575 4.653 -8.772 1.00 0.00 C ATOM 1263 CG LYS A 76 3.856 4.791 -9.574 1.00 0.00 C ATOM 1264 CD LYS A 76 4.692 5.938 -9.018 1.00 0.00 C ATOM 1265 CE LYS A 76 3.875 7.223 -8.939 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.507 8.250 -8.069 1.00 0.00 N ATOM 0 H LYS A 76 0.359 4.572 -7.904 1.00 0.00 H new ATOM 0 HA LYS A 76 1.516 3.556 -10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.049 5.607 -8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.840 4.464 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.424 3.862 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.621 4.975 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.061 5.676 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.565 6.096 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.748 7.630 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.879 6.993 -8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.827 9.015 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.791 7.815 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.346 8.639 -8.545 1.00 0.00 H new ATOM 1280 N HIS A 77 1.939 1.831 -7.555 1.00 0.00 N ATOM 1281 CA HIS A 77 2.387 0.546 -7.023 1.00 0.00 C ATOM 1282 C HIS A 77 1.697 -0.607 -7.739 1.00 0.00 C ATOM 1283 O HIS A 77 2.318 -1.637 -8.026 1.00 0.00 O ATOM 1284 CB HIS A 77 2.110 0.453 -5.518 1.00 0.00 C ATOM 1285 CG HIS A 77 2.890 1.429 -4.691 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.535 1.728 -3.390 1.00 0.00 N ATOM 1287 CD2 HIS A 77 4.001 2.130 -5.018 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.448 2.598 -2.968 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.343 2.866 -3.919 1.00 0.00 N ATOM 0 H HIS A 77 1.472 2.426 -6.871 1.00 0.00 H new ATOM 0 HA HIS A 77 3.462 0.476 -7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.046 0.615 -5.345 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.338 -0.558 -5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.518 2.111 -5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.463 3.033 -1.979 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.136 3.503 -3.841 1.00 0.00 H new ATOM 1297 N ILE A 78 0.413 -0.426 -8.024 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.358 -1.423 -8.754 1.00 0.00 C ATOM 1299 C ILE A 78 0.192 -1.589 -10.168 1.00 0.00 C ATOM 1300 O ILE A 78 0.295 -2.703 -10.682 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.856 -1.039 -8.820 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.417 -0.863 -7.405 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.652 -2.095 -9.580 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.856 -0.385 -7.366 1.00 0.00 C ATOM 0 H ILE A 78 -0.117 0.405 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.268 -2.368 -8.218 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.947 -0.094 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.346 -1.814 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.794 -0.151 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.702 -1.805 -9.614 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.266 -2.180 -10.596 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.558 -3.056 -9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.178 -0.286 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.932 0.582 -7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.493 -1.107 -7.876 1.00 0.00 H new ATOM 1316 N GLU A 79 0.562 -0.469 -10.782 1.00 0.00 N ATOM 1317 CA GLU A 79 1.136 -0.474 -12.117 1.00 0.00 C ATOM 1318 C GLU A 79 2.420 -1.299 -12.157 1.00 0.00 C ATOM 1319 O GLU A 79 2.656 -2.049 -13.108 1.00 0.00 O ATOM 1320 CB GLU A 79 1.409 0.960 -12.573 1.00 0.00 C ATOM 1321 CG GLU A 79 0.153 1.800 -12.708 1.00 0.00 C ATOM 1322 CD GLU A 79 0.406 3.121 -13.404 1.00 0.00 C ATOM 1323 OE1 GLU A 79 1.201 3.936 -12.890 1.00 0.00 O ATOM 1324 OE2 GLU A 79 -0.201 3.355 -14.472 1.00 0.00 O ATOM 0 H GLU A 79 0.472 0.459 -10.369 1.00 0.00 H new ATOM 0 HA GLU A 79 0.420 -0.933 -12.798 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.082 1.438 -11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.926 0.936 -13.532 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.597 1.238 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.261 1.989 -11.718 1.00 0.00 H new ATOM 1331 N TRP A 80 3.245 -1.160 -11.121 1.00 0.00 N ATOM 1332 CA TRP A 80 4.493 -1.912 -11.026 1.00 0.00 C ATOM 1333 C TRP A 80 4.224 -3.413 -10.934 1.00 0.00 C ATOM 1334 O TRP A 80 4.858 -4.214 -11.621 1.00 0.00 O ATOM 1335 CB TRP A 80 5.299 -1.483 -9.796 1.00 0.00 C ATOM 1336 CG TRP A 80 5.733 -0.048 -9.805 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.799 0.793 -10.876 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.181 0.705 -8.675 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.255 2.026 -10.478 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.498 1.997 -9.130 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.343 0.408 -7.317 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.966 2.993 -8.277 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.808 1.395 -6.470 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.116 2.676 -6.952 1.00 0.00 C ATOM 0 H TRP A 80 3.071 -0.533 -10.336 1.00 0.00 H new ATOM 0 HA TRP A 80 5.064 -1.700 -11.930 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.699 -1.662 -8.904 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.183 -2.116 -9.718 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.532 0.529 -11.889 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.391 2.833 -11.087 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.109 -0.576 -6.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.202 3.980 -8.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.937 1.177 -5.420 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.478 3.427 -6.266 1.00 0.00 H new ATOM 1355 N HIS A 81 3.266 -3.785 -10.093 1.00 0.00 N ATOM 1356 CA HIS A 81 2.965 -5.189 -9.840 1.00 0.00 C ATOM 1357 C HIS A 81 2.364 -5.870 -11.062 1.00 0.00 C ATOM 1358 O HIS A 81 2.547 -7.072 -11.254 1.00 0.00 O ATOM 1359 CB HIS A 81 2.055 -5.340 -8.618 1.00 0.00 C ATOM 1360 CG HIS A 81 2.824 -5.410 -7.334 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.374 -4.316 -6.699 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.169 -6.488 -6.587 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.032 -4.760 -5.617 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.933 -6.067 -5.503 1.00 0.00 N ATOM 0 H HIS A 81 2.682 -3.130 -9.573 1.00 0.00 H new ATOM 0 HA HIS A 81 3.908 -5.692 -9.626 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.364 -4.498 -8.578 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.453 -6.242 -8.727 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.295 -3.344 -6.998 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.894 -7.511 -6.800 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.573 -4.127 -4.929 1.00 0.00 H new ATOM 1372 N LYS A 82 1.655 -5.113 -11.891 1.00 0.00 N ATOM 1373 CA LYS A 82 1.116 -5.659 -13.132 1.00 0.00 C ATOM 1374 C LYS A 82 2.244 -6.184 -14.014 1.00 0.00 C ATOM 1375 O LYS A 82 2.142 -7.264 -14.594 1.00 0.00 O ATOM 1376 CB LYS A 82 0.315 -4.603 -13.897 1.00 0.00 C ATOM 1377 CG LYS A 82 -0.966 -4.170 -13.207 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.815 -3.303 -14.124 1.00 0.00 C ATOM 1379 CE LYS A 82 -3.121 -2.898 -13.465 1.00 0.00 C ATOM 1380 NZ LYS A 82 -4.051 -2.251 -14.428 1.00 0.00 N ATOM 0 H LYS A 82 1.441 -4.129 -11.730 1.00 0.00 H new ATOM 0 HA LYS A 82 0.448 -6.480 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.945 -3.727 -14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.068 -4.995 -14.883 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.534 -5.049 -12.903 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.725 -3.617 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.255 -2.410 -14.401 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.026 -3.846 -15.045 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.599 -3.778 -13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.915 -2.213 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.931 -1.990 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.606 -1.397 -14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.268 -2.914 -15.200 1.00 0.00 H new ATOM 1394 N ALA A 83 3.328 -5.419 -14.092 1.00 0.00 N ATOM 1395 CA ALA A 83 4.480 -5.809 -14.895 1.00 0.00 C ATOM 1396 C ALA A 83 5.183 -7.014 -14.282 1.00 0.00 C ATOM 1397 O ALA A 83 5.690 -7.883 -14.993 1.00 0.00 O ATOM 1398 CB ALA A 83 5.446 -4.643 -15.033 1.00 0.00 C ATOM 0 H ALA A 83 3.432 -4.527 -13.609 1.00 0.00 H new ATOM 0 HA ALA A 83 4.128 -6.089 -15.888 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.302 -4.949 -15.635 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.941 -3.808 -15.518 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.789 -4.336 -14.045 1.00 0.00 H new ATOM 1404 N ALA A 84 5.198 -7.067 -12.955 1.00 0.00 N ATOM 1405 CA ALA A 84 5.829 -8.166 -12.232 1.00 0.00 C ATOM 1406 C ALA A 84 5.039 -9.457 -12.392 1.00 0.00 C ATOM 1407 O ALA A 84 5.607 -10.549 -12.389 1.00 0.00 O ATOM 1408 CB ALA A 84 5.980 -7.816 -10.760 1.00 0.00 C ATOM 0 H ALA A 84 4.778 -6.357 -12.355 1.00 0.00 H new ATOM 0 HA ALA A 84 6.819 -8.323 -12.659 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.452 -8.646 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.599 -6.924 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.997 -7.626 -10.329 1.00 0.00 H new ATOM 1414 N SER A 85 3.726 -9.327 -12.538 1.00 0.00 N ATOM 1415 CA SER A 85 2.859 -10.482 -12.712 1.00 0.00 C ATOM 1416 C SER A 85 3.049 -11.099 -14.093 1.00 0.00 C ATOM 1417 O SER A 85 2.849 -12.301 -14.290 1.00 0.00 O ATOM 1418 CB SER A 85 1.396 -10.081 -12.525 1.00 0.00 C ATOM 1419 OG SER A 85 1.174 -9.508 -11.245 1.00 0.00 O ATOM 0 H SER A 85 3.239 -8.431 -12.539 1.00 0.00 H new ATOM 0 HA SER A 85 3.128 -11.222 -11.958 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.111 -9.368 -13.299 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.759 -10.957 -12.648 1.00 0.00 H new ATOM 0 HG SER A 85 1.636 -8.646 -11.188 1.00 0.00 H new ATOM 1425 N LYS A 86 3.448 -10.274 -15.049 1.00 0.00 N ATOM 1426 CA LYS A 86 3.596 -10.716 -16.422 1.00 0.00 C ATOM 1427 C LYS A 86 4.981 -11.323 -16.639 1.00 0.00 C ATOM 1428 O LYS A 86 5.868 -10.685 -17.199 1.00 0.00 O ATOM 1429 CB LYS A 86 3.341 -9.540 -17.375 1.00 0.00 C ATOM 1430 CG LYS A 86 3.017 -9.943 -18.810 1.00 0.00 C ATOM 1431 CD LYS A 86 4.267 -10.089 -19.671 1.00 0.00 C ATOM 1432 CE LYS A 86 5.032 -8.776 -19.780 1.00 0.00 C ATOM 1433 NZ LYS A 86 4.183 -7.677 -20.315 1.00 0.00 N ATOM 0 H LYS A 86 3.675 -9.292 -14.896 1.00 0.00 H new ATOM 0 HA LYS A 86 2.861 -11.492 -16.634 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.516 -8.945 -16.984 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.222 -8.898 -17.382 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.471 -10.886 -18.805 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.359 -9.196 -19.254 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.916 -10.854 -19.244 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.985 -10.430 -20.667 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.411 -8.495 -18.797 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.897 -8.914 -20.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.785 -6.871 -20.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.667 -8.014 -21.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.503 -7.377 -19.587 1.00 0.00 H new ATOM 1447 N GLN A 87 5.151 -12.548 -16.140 1.00 0.00 N ATOM 1448 CA GLN A 87 6.373 -13.337 -16.330 1.00 0.00 C ATOM 1449 C GLN A 87 7.628 -12.584 -15.876 1.00 0.00 C ATOM 1450 O GLN A 87 8.228 -11.824 -16.640 1.00 0.00 O ATOM 1451 CB GLN A 87 6.511 -13.767 -17.794 1.00 0.00 C ATOM 1452 CG GLN A 87 5.348 -14.616 -18.292 1.00 0.00 C ATOM 1453 CD GLN A 87 5.499 -15.036 -19.744 1.00 0.00 C ATOM 1454 OE1 GLN A 87 6.612 -15.212 -20.243 1.00 0.00 O ATOM 1455 NE2 GLN A 87 4.381 -15.196 -20.437 1.00 0.00 N ATOM 0 H GLN A 87 4.439 -13.026 -15.588 1.00 0.00 H new ATOM 0 HA GLN A 87 6.283 -14.224 -15.702 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.595 -12.878 -18.419 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.437 -14.329 -17.913 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.262 -15.506 -17.669 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.420 -14.055 -18.176 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.477 -15.041 -19.990 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.424 -15.474 -21.417 1.00 0.00 H new ATOM 1464 N GLY A 88 8.026 -12.810 -14.632 1.00 0.00 N ATOM 1465 CA GLY A 88 9.191 -12.135 -14.096 1.00 0.00 C ATOM 1466 C GLY A 88 10.050 -13.047 -13.242 1.00 0.00 C ATOM 1467 O GLY A 88 9.870 -14.268 -13.245 1.00 0.00 O ATOM 0 H GLY A 88 7.564 -13.448 -13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.790 -11.743 -14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.870 -11.281 -13.500 1.00 0.00 H new ATOM 1471 N ASN A 89 10.983 -12.455 -12.508 1.00 0.00 N ATOM 1472 CA ASN A 89 11.879 -13.215 -11.641 1.00 0.00 C ATOM 1473 C ASN A 89 11.561 -12.921 -10.184 1.00 0.00 C ATOM 1474 O ASN A 89 11.161 -11.803 -9.847 1.00 0.00 O ATOM 1475 CB ASN A 89 13.347 -12.870 -11.930 1.00 0.00 C ATOM 1476 CG ASN A 89 13.778 -13.251 -13.333 1.00 0.00 C ATOM 1477 OD1 ASN A 89 13.240 -14.180 -13.932 1.00 0.00 O ATOM 1478 ND2 ASN A 89 14.767 -12.543 -13.864 1.00 0.00 N ATOM 0 H ASN A 89 11.141 -11.447 -12.495 1.00 0.00 H new ATOM 0 HA ASN A 89 11.728 -14.276 -11.841 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.498 -11.800 -11.787 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.984 -13.381 -11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.106 -12.763 -14.801 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.188 -11.779 -13.335 1.00 0.00 H new ATOM 1485 N ALA A 90 11.748 -13.917 -9.324 1.00 0.00 N ATOM 1486 CA ALA A 90 11.458 -13.777 -7.901 1.00 0.00 C ATOM 1487 C ALA A 90 12.320 -12.689 -7.266 1.00 0.00 C ATOM 1488 O ALA A 90 11.841 -11.911 -6.440 1.00 0.00 O ATOM 1489 CB ALA A 90 11.670 -15.103 -7.186 1.00 0.00 C ATOM 0 H ALA A 90 12.102 -14.836 -9.590 1.00 0.00 H new ATOM 0 HA ALA A 90 10.414 -13.482 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.450 -14.984 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.007 -15.856 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.705 -15.421 -7.308 1.00 0.00 H new ATOM 1495 N GLU A 91 13.583 -12.630 -7.668 1.00 0.00 N ATOM 1496 CA GLU A 91 14.514 -11.629 -7.154 1.00 0.00 C ATOM 1497 C GLU A 91 14.025 -10.227 -7.506 1.00 0.00 C ATOM 1498 O GLU A 91 14.076 -9.307 -6.685 1.00 0.00 O ATOM 1499 CB GLU A 91 15.908 -11.872 -7.741 1.00 0.00 C ATOM 1500 CG GLU A 91 17.047 -11.749 -6.737 1.00 0.00 C ATOM 1501 CD GLU A 91 17.329 -10.318 -6.328 1.00 0.00 C ATOM 1502 OE1 GLU A 91 17.963 -9.588 -7.121 1.00 0.00 O ATOM 1503 OE2 GLU A 91 16.936 -9.923 -5.210 1.00 0.00 O ATOM 0 H GLU A 91 13.990 -13.267 -8.353 1.00 0.00 H new ATOM 0 HA GLU A 91 14.568 -11.713 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.934 -12.869 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.076 -11.162 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.805 -12.333 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.950 -12.182 -7.167 1.00 0.00 H new ATOM 1510 N GLN A 92 13.522 -10.076 -8.724 1.00 0.00 N ATOM 1511 CA GLN A 92 12.990 -8.798 -9.176 1.00 0.00 C ATOM 1512 C GLN A 92 11.711 -8.453 -8.424 1.00 0.00 C ATOM 1513 O GLN A 92 11.483 -7.299 -8.065 1.00 0.00 O ATOM 1514 CB GLN A 92 12.719 -8.830 -10.681 1.00 0.00 C ATOM 1515 CG GLN A 92 13.977 -8.981 -11.518 1.00 0.00 C ATOM 1516 CD GLN A 92 14.977 -7.869 -11.257 1.00 0.00 C ATOM 1517 OE1 GLN A 92 15.824 -7.981 -10.376 1.00 0.00 O ATOM 1518 NE2 GLN A 92 14.878 -6.788 -12.011 1.00 0.00 N ATOM 0 H GLN A 92 13.471 -10.823 -9.417 1.00 0.00 H new ATOM 0 HA GLN A 92 13.735 -8.029 -8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.043 -9.655 -10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.207 -7.912 -10.970 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.442 -9.943 -11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.710 -8.986 -12.575 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.160 -6.734 -12.733 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.520 -6.008 -11.871 1.00 0.00 H new ATOM 1527 N PHE A 93 10.890 -9.465 -8.176 1.00 0.00 N ATOM 1528 CA PHE A 93 9.645 -9.279 -7.447 1.00 0.00 C ATOM 1529 C PHE A 93 9.935 -8.846 -6.013 1.00 0.00 C ATOM 1530 O PHE A 93 9.322 -7.907 -5.504 1.00 0.00 O ATOM 1531 CB PHE A 93 8.825 -10.572 -7.465 1.00 0.00 C ATOM 1532 CG PHE A 93 7.486 -10.452 -6.790 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.487 -9.659 -7.335 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.225 -11.131 -5.609 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.257 -9.545 -6.715 1.00 0.00 C ATOM 1536 CE2 PHE A 93 5.995 -11.019 -4.986 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.010 -10.227 -5.540 1.00 0.00 C ATOM 0 H PHE A 93 11.066 -10.426 -8.471 1.00 0.00 H new ATOM 0 HA PHE A 93 9.064 -8.495 -7.933 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.673 -10.881 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.398 -11.361 -6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.672 -9.124 -8.255 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.991 -11.754 -5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.489 -8.922 -7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.806 -11.552 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.048 -10.141 -5.056 1.00 0.00 H new ATOM 1547 N ALA A 94 10.888 -9.522 -5.379 1.00 0.00 N ATOM 1548 CA ALA A 94 11.298 -9.188 -4.021 1.00 0.00 C ATOM 1549 C ALA A 94 11.853 -7.769 -3.959 1.00 0.00 C ATOM 1550 O ALA A 94 11.590 -7.030 -3.008 1.00 0.00 O ATOM 1551 CB ALA A 94 12.332 -10.186 -3.511 1.00 0.00 C ATOM 0 H ALA A 94 11.393 -10.309 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 94 10.419 -9.242 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.625 -9.919 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.903 -11.188 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.208 -10.165 -4.159 1.00 0.00 H new ATOM 1557 N SER A 95 12.608 -7.388 -4.984 1.00 0.00 N ATOM 1558 CA SER A 95 13.164 -6.053 -5.071 1.00 0.00 C ATOM 1559 C SER A 95 12.057 -5.005 -5.187 1.00 0.00 C ATOM 1560 O SER A 95 12.152 -3.922 -4.604 1.00 0.00 O ATOM 1561 CB SER A 95 14.109 -5.978 -6.266 1.00 0.00 C ATOM 1562 OG SER A 95 15.185 -6.892 -6.117 1.00 0.00 O ATOM 0 H SER A 95 12.847 -7.994 -5.769 1.00 0.00 H new ATOM 0 HA SER A 95 13.721 -5.840 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.562 -6.200 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.498 -4.965 -6.365 1.00 0.00 H new ATOM 0 HG SER A 95 14.851 -7.809 -6.210 1.00 0.00 H new ATOM 1568 N LEU A 96 11.005 -5.339 -5.928 1.00 0.00 N ATOM 1569 CA LEU A 96 9.854 -4.454 -6.071 1.00 0.00 C ATOM 1570 C LEU A 96 9.121 -4.314 -4.741 1.00 0.00 C ATOM 1571 O LEU A 96 8.791 -3.209 -4.310 1.00 0.00 O ATOM 1572 CB LEU A 96 8.896 -5.000 -7.132 1.00 0.00 C ATOM 1573 CG LEU A 96 7.649 -4.150 -7.384 1.00 0.00 C ATOM 1574 CD1 LEU A 96 8.043 -2.759 -7.856 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.742 -4.822 -8.402 1.00 0.00 C ATOM 0 H LEU A 96 10.926 -6.218 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 96 10.212 -3.473 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.440 -5.105 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.580 -6.000 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 96 7.100 -4.055 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.145 -2.166 -8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.654 -2.276 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.613 -2.837 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.860 -4.203 -8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.280 -4.948 -9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.434 -5.798 -8.027 1.00 0.00 H new ATOM 1587 N VAL A 97 8.883 -5.448 -4.099 1.00 0.00 N ATOM 1588 CA VAL A 97 8.192 -5.484 -2.817 1.00 0.00 C ATOM 1589 C VAL A 97 8.961 -4.705 -1.754 1.00 0.00 C ATOM 1590 O VAL A 97 8.364 -3.995 -0.947 1.00 0.00 O ATOM 1591 CB VAL A 97 7.963 -6.940 -2.354 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.426 -6.990 -0.932 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.006 -7.638 -3.308 1.00 0.00 C ATOM 0 H VAL A 97 9.161 -6.365 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 97 7.221 -5.008 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 97 8.922 -7.458 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.276 -8.028 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.141 -6.520 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.476 -6.458 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.847 -8.665 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.053 -7.109 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.431 -7.641 -4.312 1.00 0.00 H new ATOM 1603 N GLN A 98 10.284 -4.820 -1.770 1.00 0.00 N ATOM 1604 CA GLN A 98 11.122 -4.072 -0.835 1.00 0.00 C ATOM 1605 C GLN A 98 10.915 -2.570 -1.013 1.00 0.00 C ATOM 1606 O GLN A 98 10.775 -1.831 -0.040 1.00 0.00 O ATOM 1607 CB GLN A 98 12.602 -4.409 -1.035 1.00 0.00 C ATOM 1608 CG GLN A 98 13.517 -3.734 -0.023 1.00 0.00 C ATOM 1609 CD GLN A 98 14.987 -3.908 -0.345 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.315 -3.989 -1.626 1.00 0.00 O flip ATOM 1611 NE2 GLN A 98 15.827 -3.955 0.555 1.00 0.00 N flip ATOM 0 H GLN A 98 10.799 -5.420 -2.415 1.00 0.00 H new ATOM 0 HA GLN A 98 10.829 -4.359 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.733 -5.489 -0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.902 -4.112 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.283 -2.670 0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.317 -4.142 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.534 -3.889 1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.815 -4.060 0.325 1.00 0.00 H new ATOM 1620 N GLN A 99 10.885 -2.129 -2.263 1.00 0.00 N ATOM 1621 CA GLN A 99 10.693 -0.719 -2.571 1.00 0.00 C ATOM 1622 C GLN A 99 9.287 -0.276 -2.179 1.00 0.00 C ATOM 1623 O GLN A 99 9.093 0.816 -1.643 1.00 0.00 O ATOM 1624 CB GLN A 99 10.933 -0.475 -4.060 1.00 0.00 C ATOM 1625 CG GLN A 99 10.929 0.993 -4.451 1.00 0.00 C ATOM 1626 CD GLN A 99 11.190 1.200 -5.929 1.00 0.00 C ATOM 1627 OE1 GLN A 99 12.336 1.323 -6.358 1.00 0.00 O ATOM 1628 NE2 GLN A 99 10.130 1.246 -6.716 1.00 0.00 N ATOM 0 H GLN A 99 10.991 -2.729 -3.081 1.00 0.00 H new ATOM 0 HA GLN A 99 11.410 -0.132 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.891 -0.913 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.165 -0.995 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.966 1.433 -4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.688 1.522 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.196 1.140 -6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.246 1.388 -7.719 1.00 0.00 H new ATOM 1637 N HIS A 100 8.312 -1.138 -2.452 1.00 0.00 N ATOM 1638 CA HIS A 100 6.925 -0.877 -2.090 1.00 0.00 C ATOM 1639 C HIS A 100 6.804 -0.724 -0.570 1.00 0.00 C ATOM 1640 O HIS A 100 6.100 0.156 -0.077 1.00 0.00 O ATOM 1641 CB HIS A 100 6.031 -2.025 -2.593 1.00 0.00 C ATOM 1642 CG HIS A 100 4.554 -1.776 -2.458 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.589 -2.730 -2.696 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.886 -0.648 -2.113 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.391 -2.163 -2.498 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.514 -0.897 -2.141 1.00 0.00 N ATOM 0 H HIS A 100 8.460 -2.029 -2.926 1.00 0.00 H new ATOM 0 HA HIS A 100 6.596 0.051 -2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.260 -2.213 -3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.285 -2.932 -2.044 1.00 0.00 H new ATOM 0 HD1 HIS A 100 3.757 -3.697 -2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.344 0.296 -1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.447 -2.675 -2.615 1.00 0.00 H new ATOM 1654 N LEU A 101 7.520 -1.580 0.156 1.00 0.00 N ATOM 1655 CA LEU A 101 7.520 -1.557 1.617 1.00 0.00 C ATOM 1656 C LEU A 101 7.984 -0.204 2.146 1.00 0.00 C ATOM 1657 O LEU A 101 7.348 0.380 3.026 1.00 0.00 O ATOM 1658 CB LEU A 101 8.426 -2.667 2.160 1.00 0.00 C ATOM 1659 CG LEU A 101 8.497 -2.771 3.686 1.00 0.00 C ATOM 1660 CD1 LEU A 101 7.131 -3.109 4.267 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.524 -3.814 4.095 1.00 0.00 C ATOM 0 H LEU A 101 8.113 -2.305 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 101 6.498 -1.725 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.080 -3.621 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.434 -2.510 1.776 1.00 0.00 H new ATOM 0 HG LEU A 101 8.805 -1.804 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.204 -3.178 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.419 -2.328 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.791 -4.063 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.564 -3.878 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.241 -4.783 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.504 -3.530 3.712 1.00 0.00 H new ATOM 1673 N GLN A 102 9.086 0.288 1.595 1.00 0.00 N ATOM 1674 CA GLN A 102 9.659 1.546 2.000 1.00 0.00 C ATOM 1675 C GLN A 102 8.685 2.699 1.770 1.00 0.00 C ATOM 1676 O GLN A 102 8.587 3.611 2.595 1.00 0.00 O ATOM 1677 CB GLN A 102 10.944 1.761 1.213 1.00 0.00 C ATOM 1678 CG GLN A 102 12.036 0.741 1.519 1.00 0.00 C ATOM 1679 CD GLN A 102 12.636 0.901 2.906 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.984 1.371 3.838 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.890 0.496 3.052 1.00 0.00 N ATOM 0 H GLN A 102 9.603 -0.183 0.852 1.00 0.00 H new ATOM 0 HA GLN A 102 9.875 1.520 3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.716 1.725 0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.325 2.760 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.623 -0.263 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.828 0.832 0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.398 0.112 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.347 0.569 3.961 1.00 0.00 H new ATOM 1690 N ASP A 103 7.954 2.644 0.659 1.00 0.00 N ATOM 1691 CA ASP A 103 6.981 3.683 0.329 1.00 0.00 C ATOM 1692 C ASP A 103 5.875 3.714 1.374 1.00 0.00 C ATOM 1693 O ASP A 103 5.573 4.765 1.943 1.00 0.00 O ATOM 1694 CB ASP A 103 6.359 3.435 -1.051 1.00 0.00 C ATOM 1695 CG ASP A 103 6.046 4.716 -1.804 1.00 0.00 C ATOM 1696 OD1 ASP A 103 5.772 5.753 -1.165 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.091 4.693 -3.052 1.00 0.00 O ATOM 0 H ASP A 103 8.017 1.892 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 103 7.504 4.639 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.041 2.828 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.442 2.858 -0.931 1.00 0.00 H new ATOM 1702 N GLU A 104 5.302 2.544 1.649 1.00 0.00 N ATOM 1703 CA GLU A 104 4.191 2.428 2.591 1.00 0.00 C ATOM 1704 C GLU A 104 4.621 2.804 4.002 1.00 0.00 C ATOM 1705 O GLU A 104 3.860 3.425 4.747 1.00 0.00 O ATOM 1706 CB GLU A 104 3.630 1.005 2.597 1.00 0.00 C ATOM 1707 CG GLU A 104 3.175 0.510 1.233 1.00 0.00 C ATOM 1708 CD GLU A 104 2.155 1.418 0.574 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.531 2.249 1.271 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.963 1.305 -0.654 1.00 0.00 O ATOM 0 H GLU A 104 5.590 1.659 1.231 1.00 0.00 H new ATOM 0 HA GLU A 104 3.416 3.120 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.392 0.327 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.787 0.961 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.043 0.416 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.748 -0.487 1.340 1.00 0.00 H new ATOM 1717 N GLN A 105 5.843 2.433 4.367 1.00 0.00 N ATOM 1718 CA GLN A 105 6.375 2.762 5.683 1.00 0.00 C ATOM 1719 C GLN A 105 6.419 4.275 5.863 1.00 0.00 C ATOM 1720 O GLN A 105 5.997 4.797 6.890 1.00 0.00 O ATOM 1721 CB GLN A 105 7.770 2.153 5.864 1.00 0.00 C ATOM 1722 CG GLN A 105 8.430 2.509 7.191 1.00 0.00 C ATOM 1723 CD GLN A 105 9.748 1.786 7.411 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.937 0.657 6.961 1.00 0.00 O ATOM 1725 NE2 GLN A 105 10.671 2.443 8.099 1.00 0.00 N ATOM 0 H GLN A 105 6.482 1.906 3.772 1.00 0.00 H new ATOM 0 HA GLN A 105 5.720 2.340 6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.696 1.068 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.411 2.488 5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.601 3.585 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.748 2.266 8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 105 10.473 3.378 8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.580 2.013 8.273 1.00 0.00 H new ATOM 1734 N ARG A 106 6.895 4.969 4.838 1.00 0.00 N ATOM 1735 CA ARG A 106 6.983 6.424 4.862 1.00 0.00 C ATOM 1736 C ARG A 106 5.580 7.043 4.857 1.00 0.00 C ATOM 1737 O ARG A 106 5.362 8.099 5.451 1.00 0.00 O ATOM 1738 CB ARG A 106 7.820 6.899 3.664 1.00 0.00 C ATOM 1739 CG ARG A 106 8.191 8.380 3.668 1.00 0.00 C ATOM 1740 CD ARG A 106 7.099 9.238 3.050 1.00 0.00 C ATOM 1741 NE ARG A 106 7.552 10.598 2.764 1.00 0.00 N ATOM 1742 CZ ARG A 106 7.035 11.355 1.794 1.00 0.00 C ATOM 1743 NH1 ARG A 106 6.103 10.853 0.990 1.00 0.00 N ATOM 1744 NH2 ARG A 106 7.459 12.600 1.611 1.00 0.00 N ATOM 0 H ARG A 106 7.229 4.544 3.973 1.00 0.00 H new ATOM 0 HA ARG A 106 7.476 6.751 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.738 6.312 3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.268 6.683 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.373 8.706 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.121 8.523 3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.753 8.772 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.245 9.277 3.727 1.00 0.00 H new ATOM 0 HE ARG A 106 8.302 10.988 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.785 9.892 1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.706 11.429 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.186 12.985 2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.058 13.171 0.867 1.00 0.00 H new ATOM 1758 N HIS A 107 4.632 6.379 4.189 1.00 0.00 N ATOM 1759 CA HIS A 107 3.233 6.823 4.195 1.00 0.00 C ATOM 1760 C HIS A 107 2.701 6.884 5.624 1.00 0.00 C ATOM 1761 O HIS A 107 2.166 7.907 6.060 1.00 0.00 O ATOM 1762 CB HIS A 107 2.336 5.886 3.365 1.00 0.00 C ATOM 1763 CG HIS A 107 2.557 5.950 1.881 1.00 0.00 C ATOM 1764 ND1 HIS A 107 2.080 4.963 1.038 1.00 0.00 N ATOM 1765 CD2 HIS A 107 3.204 6.883 1.145 1.00 0.00 C ATOM 1766 CE1 HIS A 107 2.457 5.327 -0.181 1.00 0.00 C ATOM 1767 NE2 HIS A 107 3.139 6.481 -0.163 1.00 0.00 N ATOM 0 H HIS A 107 4.805 5.537 3.640 1.00 0.00 H new ATOM 0 HA HIS A 107 3.208 7.816 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.499 4.861 3.698 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.293 6.126 3.573 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.682 7.777 1.518 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.241 4.763 -1.077 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.534 6.967 -0.969 1.00 0.00 H new ATOM 1775 N VAL A 108 2.870 5.787 6.355 1.00 0.00 N ATOM 1776 CA VAL A 108 2.419 5.702 7.741 1.00 0.00 C ATOM 1777 C VAL A 108 3.183 6.687 8.626 1.00 0.00 C ATOM 1778 O VAL A 108 2.610 7.308 9.522 1.00 0.00 O ATOM 1779 CB VAL A 108 2.593 4.270 8.296 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.177 4.186 9.759 1.00 0.00 C ATOM 1781 CG2 VAL A 108 1.796 3.282 7.461 1.00 0.00 C ATOM 0 H VAL A 108 3.319 4.939 6.009 1.00 0.00 H new ATOM 0 HA VAL A 108 1.360 5.959 7.754 1.00 0.00 H new ATOM 0 HB VAL A 108 3.651 4.013 8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.312 3.166 10.118 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.792 4.863 10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.129 4.469 9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.927 2.277 7.863 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.740 3.550 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.148 3.310 6.430 1.00 0.00 H new ATOM 1791 N GLU A 109 4.475 6.825 8.352 1.00 0.00 N ATOM 1792 CA GLU A 109 5.336 7.746 9.083 1.00 0.00 C ATOM 1793 C GLU A 109 4.811 9.180 9.009 1.00 0.00 C ATOM 1794 O GLU A 109 4.927 9.940 9.969 1.00 0.00 O ATOM 1795 CB GLU A 109 6.755 7.668 8.520 1.00 0.00 C ATOM 1796 CG GLU A 109 7.508 6.415 8.945 1.00 0.00 C ATOM 1797 CD GLU A 109 7.961 6.446 10.392 1.00 0.00 C ATOM 1798 OE1 GLU A 109 7.139 6.752 11.281 1.00 0.00 O ATOM 1799 OE2 GLU A 109 9.150 6.148 10.650 1.00 0.00 O ATOM 0 H GLU A 109 4.954 6.303 7.618 1.00 0.00 H new ATOM 0 HA GLU A 109 5.343 7.454 10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.708 7.703 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.315 8.546 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.868 5.546 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.379 6.288 8.302 1.00 0.00 H new ATOM 1806 N GLU A 110 4.241 9.539 7.864 1.00 0.00 N ATOM 1807 CA GLU A 110 3.672 10.869 7.670 1.00 0.00 C ATOM 1808 C GLU A 110 2.386 11.029 8.488 1.00 0.00 C ATOM 1809 O GLU A 110 2.147 12.072 9.095 1.00 0.00 O ATOM 1810 CB GLU A 110 3.393 11.100 6.182 1.00 0.00 C ATOM 1811 CG GLU A 110 3.035 12.537 5.832 1.00 0.00 C ATOM 1812 CD GLU A 110 4.161 13.511 6.121 1.00 0.00 C ATOM 1813 OE1 GLU A 110 5.164 13.507 5.379 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.047 14.285 7.097 1.00 0.00 O ATOM 0 H GLU A 110 4.160 8.926 7.053 1.00 0.00 H new ATOM 0 HA GLU A 110 4.389 11.614 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.272 10.806 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.577 10.448 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.774 12.594 4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.151 12.834 6.396 1.00 0.00 H new ATOM 1821 N ILE A 111 1.571 9.976 8.511 1.00 0.00 N ATOM 1822 CA ILE A 111 0.309 9.985 9.252 1.00 0.00 C ATOM 1823 C ILE A 111 0.560 10.127 10.756 1.00 0.00 C ATOM 1824 O ILE A 111 -0.183 10.805 11.467 1.00 0.00 O ATOM 1825 CB ILE A 111 -0.506 8.696 8.984 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -0.735 8.517 7.478 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -1.837 8.739 9.728 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.474 7.243 7.118 1.00 0.00 C ATOM 0 H ILE A 111 1.763 9.101 8.023 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.266 10.843 8.904 1.00 0.00 H new ATOM 0 HB ILE A 111 0.063 7.842 9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.298 9.371 7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 111 0.230 8.522 6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.396 7.825 9.527 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.653 8.824 10.799 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.415 9.599 9.390 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.598 7.187 6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.903 6.381 7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.454 7.243 7.596 1.00 0.00 H new ATOM 1840 N GLU A 112 1.629 9.495 11.216 1.00 0.00 N ATOM 1841 CA GLU A 112 2.024 9.504 12.616 1.00 0.00 C ATOM 1842 C GLU A 112 2.235 10.915 13.167 1.00 0.00 C ATOM 1843 O GLU A 112 2.137 11.137 14.374 1.00 0.00 O ATOM 1844 CB GLU A 112 3.301 8.685 12.777 1.00 0.00 C ATOM 1845 CG GLU A 112 3.055 7.259 13.237 1.00 0.00 C ATOM 1846 CD GLU A 112 2.574 7.195 14.672 1.00 0.00 C ATOM 1847 OE1 GLU A 112 3.426 7.138 15.582 1.00 0.00 O ATOM 1848 OE2 GLU A 112 1.348 7.200 14.899 1.00 0.00 O ATOM 0 H GLU A 112 2.255 8.954 10.619 1.00 0.00 H new ATOM 0 HA GLU A 112 1.209 9.064 13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.832 8.664 11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.953 9.182 13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.315 6.792 12.587 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.975 6.683 13.138 1.00 0.00 H new ATOM 1855 N LYS A 113 2.529 11.861 12.286 1.00 0.00 N ATOM 1856 CA LYS A 113 2.908 13.211 12.694 1.00 0.00 C ATOM 1857 C LYS A 113 1.708 14.050 13.153 1.00 0.00 C ATOM 1858 O LYS A 113 1.819 15.268 13.305 1.00 0.00 O ATOM 1859 CB LYS A 113 3.614 13.911 11.530 1.00 0.00 C ATOM 1860 CG LYS A 113 4.805 13.137 10.983 1.00 0.00 C ATOM 1861 CD LYS A 113 5.908 13.008 12.019 1.00 0.00 C ATOM 1862 CE LYS A 113 6.549 14.351 12.325 1.00 0.00 C ATOM 1863 NZ LYS A 113 7.212 14.933 11.129 1.00 0.00 N ATOM 0 H LYS A 113 2.513 11.719 11.276 1.00 0.00 H new ATOM 0 HA LYS A 113 3.578 13.119 13.549 1.00 0.00 H new ATOM 0 HB2 LYS A 113 2.896 14.073 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.951 14.894 11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 113 4.482 12.145 10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.193 13.641 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.499 12.582 12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.668 12.316 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.789 15.041 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.281 14.231 13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.857 15.693 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.752 14.193 10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.492 15.321 10.487 1.00 0.00 H new ATOM 1877 N LYS A 114 0.572 13.410 13.387 1.00 0.00 N ATOM 1878 CA LYS A 114 -0.615 14.120 13.842 1.00 0.00 C ATOM 1879 C LYS A 114 -0.667 14.183 15.362 1.00 0.00 C ATOM 1880 O LYS A 114 -0.354 13.210 16.049 1.00 0.00 O ATOM 1881 CB LYS A 114 -1.890 13.455 13.321 1.00 0.00 C ATOM 1882 CG LYS A 114 -2.090 13.581 11.820 1.00 0.00 C ATOM 1883 CD LYS A 114 -3.453 13.053 11.384 1.00 0.00 C ATOM 1884 CE LYS A 114 -4.598 13.995 11.759 1.00 0.00 C ATOM 1885 NZ LYS A 114 -4.855 14.039 13.226 1.00 0.00 N ATOM 0 H LYS A 114 0.447 12.405 13.270 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.555 15.133 13.445 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.869 12.398 13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.749 13.894 13.829 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.995 14.627 11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.304 13.032 11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.451 12.902 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.624 12.079 11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.366 15.000 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.506 13.678 11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.876 14.135 13.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.511 13.161 13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.357 14.852 13.642 1.00 0.00 H new ATOM 1899 N ASN A 115 -1.058 15.338 15.879 1.00 0.00 N ATOM 1900 CA ASN A 115 -1.270 15.504 17.311 1.00 0.00 C ATOM 1901 C ASN A 115 -2.745 15.322 17.632 1.00 0.00 C ATOM 1902 O ASN A 115 -3.109 14.269 18.189 1.00 0.00 O ATOM 1903 CB ASN A 115 -0.794 16.878 17.793 1.00 0.00 C ATOM 1904 CG ASN A 115 0.719 17.005 17.829 1.00 0.00 C ATOM 1905 OD1 ASN A 115 1.356 16.722 18.846 1.00 0.00 O ATOM 1906 ND2 ASN A 115 1.307 17.434 16.724 1.00 0.00 N ATOM 1907 OXT ASN A 115 -3.546 16.219 17.282 1.00 0.00 O ATOM 0 H ASN A 115 -1.236 16.177 15.327 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.684 14.747 17.832 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.202 17.648 17.138 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.192 17.065 18.790 1.00 0.00 H new ATOM 0 HD21 ASN A 115 2.321 17.540 16.694 1.00 0.00 H new ATOM 0 HD22 ASN A 115 0.746 17.658 15.902 1.00 0.00 H new TER 1914 ASN A 115 HETATM 1915 ZN ZN A 300 1.086 0.908 -1.979 1.00 0.00 ZN HETATM 1916 ZN ZN A 400 0.458 3.424 1.184 1.00 0.00 ZN