USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 792 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HD1:sc= -1.14 K(o=-3.6,f=-2.8) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.51 X(o=-3.6,f=-4.1!) USER MOD Set 2.1: A 18 ASN : amide:sc= 0 X(o=-6.5,f=-6.5) USER MOD Set 2.2: A 22 ASN : amide:sc= -5.29 K(o=-6.5,f=-12!) USER MOD Set 2.3: A 81 THR OG1 : rot -130:sc= -1.22 USER MOD Set 3.1: A 24 HIS : no HD1:sc= -2.31 K(o=-5.5,f=-7.9) USER MOD Set 3.2: A 73 ASN : amide:sc= -1.04 K(o=-5.5,f=-6.9!) USER MOD Set 3.3: A 74 HIS : no HD1:sc= -2.16 K(o=-5.5,f=-7.9) USER MOD Set 4.1: A 6 ASN : amide:sc= -4.76 K(o=-4.8,f=-17!) USER MOD Set 4.2: A 48 MET CE :methyl -155:sc= 0 (180deg=-0.11) USER MOD Set 5.1: A 13 GLN : amide:sc= -2.59 K(o=-3,f=-0.89) USER MOD Set 5.2: A 38 GLN : amide:sc= -0.418 K(o=-3,f=-0.89) USER MOD Set 6.1: A 31 HIS : no HD1:sc= -1.12 K(o=-3.3,f=-4.2) USER MOD Set 6.2: A 35 ASN : amide:sc= -2.16 K(o=-3.3,f=-5.6!) USER MOD Single : A 4 LYS NZ :NH3+ -133:sc= 0.0385 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.035 (180deg=-0.22) USER MOD Single : A 20 HIS : no HD1:sc= -10.3! C(o=-10!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc=-0.000595 (180deg=-0.0224) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 36 HIS : no HD1:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 39 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.7!) USER MOD Single : A 45 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-3.8!) USER MOD Single : A 49 GLN : amide:sc= -0.28 K(o=-0.28,f=-2!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.363 USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= -2.13 (180deg=-2.38) USER MOD Single : A 58 GLN : amide:sc= -0.622 K(o=-0.62,f=-0.05) USER MOD Single : A 60 MET CE :methyl -167:sc= -2.34 (180deg=-2.94) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0243 K(o=-0.024,f=-0.6) USER MOD Single : A 66 GLN : amide:sc= -0.855 K(o=-0.85,f=-0.0045) USER MOD Single : A 72 ASN : amide:sc= -0.865 K(o=-0.87,f=-1.7) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.44) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.077) USER MOD Single : A 90 LYS NZ :NH3+ -131:sc= -0.0748 (180deg=-1.83!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0023 X(o=-0.0023,f=-0.069) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -0.714 -16.340 5.054 1.00 0.00 N ATOM 42 CA GLY A 3 -1.614 -15.337 5.590 1.00 0.00 C ATOM 43 C GLY A 3 -0.897 -14.301 6.431 1.00 0.00 C ATOM 44 O GLY A 3 -1.248 -13.122 6.402 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.129 -14.839 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.378 -15.826 6.195 1.00 0.00 H new ATOM 48 N LYS A 4 0.112 -14.737 7.177 1.00 0.00 N ATOM 49 CA LYS A 4 0.881 -13.829 8.025 1.00 0.00 C ATOM 50 C LYS A 4 1.457 -12.686 7.222 1.00 0.00 C ATOM 51 O LYS A 4 1.790 -11.640 7.779 1.00 0.00 O ATOM 52 CB LYS A 4 2.008 -14.573 8.737 1.00 0.00 C ATOM 53 CG LYS A 4 2.673 -13.760 9.834 1.00 0.00 C ATOM 54 CD LYS A 4 1.719 -13.495 10.987 1.00 0.00 C ATOM 55 CE LYS A 4 2.382 -12.677 12.082 1.00 0.00 C ATOM 56 NZ LYS A 4 1.421 -12.310 13.159 1.00 0.00 N ATOM 0 H LYS A 4 0.417 -15.710 7.213 1.00 0.00 H new ATOM 0 HA LYS A 4 0.197 -13.423 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.611 -15.492 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.761 -14.863 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.551 -14.292 10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.023 -12.812 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.840 -12.967 10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.372 -14.443 11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.208 -13.245 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.808 -11.771 11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.521 -11.300 13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.450 -12.499 12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.620 -12.875 14.009 1.00 0.00 H new ATOM 70 N LEU A 5 1.547 -12.863 5.911 1.00 0.00 N ATOM 71 CA LEU A 5 2.054 -11.806 5.060 1.00 0.00 C ATOM 72 C LEU A 5 1.331 -10.503 5.388 1.00 0.00 C ATOM 73 O LEU A 5 1.852 -9.412 5.154 1.00 0.00 O ATOM 74 CB LEU A 5 1.871 -12.162 3.586 1.00 0.00 C ATOM 75 CG LEU A 5 2.993 -11.676 2.671 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.239 -10.193 2.895 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.269 -12.469 2.921 1.00 0.00 C ATOM 0 H LEU A 5 1.279 -13.717 5.423 1.00 0.00 H new ATOM 0 HA LEU A 5 3.121 -11.683 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.789 -13.245 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.928 -11.740 3.238 1.00 0.00 H new ATOM 0 HG LEU A 5 2.692 -11.832 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.041 -9.854 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.329 -9.636 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.524 -10.024 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.057 -12.108 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.579 -12.342 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.085 -13.525 2.724 1.00 0.00 H new ATOM 89 N ASN A 6 0.126 -10.632 5.956 1.00 0.00 N ATOM 90 CA ASN A 6 -0.659 -9.475 6.340 1.00 0.00 C ATOM 91 C ASN A 6 0.107 -8.608 7.329 1.00 0.00 C ATOM 92 O ASN A 6 0.120 -7.383 7.214 1.00 0.00 O ATOM 93 CB ASN A 6 -1.995 -9.896 6.945 1.00 0.00 C ATOM 94 CG ASN A 6 -1.846 -10.994 7.979 1.00 0.00 C ATOM 95 OD1 ASN A 6 -0.734 -11.422 8.291 1.00 0.00 O ATOM 96 ND2 ASN A 6 -2.968 -11.457 8.517 1.00 0.00 N ATOM 0 H ASN A 6 -0.318 -11.529 6.156 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.854 -8.894 5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.470 -9.030 7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.658 -10.238 6.150 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.930 -12.196 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.868 -11.073 8.229 1.00 0.00 H new ATOM 103 N ASP A 7 0.761 -9.251 8.296 1.00 0.00 N ATOM 104 CA ASP A 7 1.546 -8.530 9.294 1.00 0.00 C ATOM 105 C ASP A 7 2.460 -7.526 8.603 1.00 0.00 C ATOM 106 O ASP A 7 2.767 -6.463 9.144 1.00 0.00 O ATOM 107 CB ASP A 7 2.374 -9.506 10.132 1.00 0.00 C ATOM 108 CG ASP A 7 2.780 -8.918 11.469 1.00 0.00 C ATOM 109 OD1 ASP A 7 3.023 -7.695 11.531 1.00 0.00 O ATOM 110 OD2 ASP A 7 2.856 -9.682 12.456 1.00 0.00 O ATOM 0 H ASP A 7 0.762 -10.265 8.408 1.00 0.00 H new ATOM 0 HA ASP A 7 0.866 -7.997 9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.799 -10.417 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.268 -9.790 9.577 1.00 0.00 H new ATOM 115 N LEU A 8 2.872 -7.874 7.387 1.00 0.00 N ATOM 116 CA LEU A 8 3.729 -7.014 6.589 1.00 0.00 C ATOM 117 C LEU A 8 2.887 -5.980 5.854 1.00 0.00 C ATOM 118 O LEU A 8 3.305 -4.837 5.670 1.00 0.00 O ATOM 119 CB LEU A 8 4.522 -7.850 5.579 1.00 0.00 C ATOM 120 CG LEU A 8 5.664 -7.120 4.864 1.00 0.00 C ATOM 121 CD1 LEU A 8 5.134 -5.993 3.992 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.672 -6.589 5.871 1.00 0.00 C ATOM 0 H LEU A 8 2.622 -8.753 6.934 1.00 0.00 H new ATOM 0 HA LEU A 8 4.427 -6.502 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.936 -8.715 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.831 -8.230 4.827 1.00 0.00 H new ATOM 0 HG LEU A 8 6.167 -7.837 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.967 -5.493 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.458 -6.401 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.597 -5.275 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.475 -6.074 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.177 -5.893 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.087 -7.419 6.443 1.00 0.00 H new ATOM 134 N LEU A 9 1.695 -6.393 5.432 1.00 0.00 N ATOM 135 CA LEU A 9 0.795 -5.505 4.714 1.00 0.00 C ATOM 136 C LEU A 9 0.392 -4.319 5.587 1.00 0.00 C ATOM 137 O LEU A 9 0.309 -3.184 5.119 1.00 0.00 O ATOM 138 CB LEU A 9 -0.456 -6.262 4.265 1.00 0.00 C ATOM 139 CG LEU A 9 -0.384 -6.857 2.859 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.487 -7.885 2.660 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.481 -5.759 1.812 1.00 0.00 C ATOM 0 H LEU A 9 1.333 -7.336 5.576 1.00 0.00 H new ATOM 0 HA LEU A 9 1.321 -5.131 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.649 -7.067 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.309 -5.584 4.313 1.00 0.00 H new ATOM 0 HG LEU A 9 0.577 -7.358 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.421 -8.299 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.374 -8.686 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.458 -7.408 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.428 -6.200 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.428 -5.231 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.343 -5.058 1.943 1.00 0.00 H new ATOM 153 N GLU A 10 0.131 -4.597 6.863 1.00 0.00 N ATOM 154 CA GLU A 10 -0.277 -3.566 7.816 1.00 0.00 C ATOM 155 C GLU A 10 0.644 -2.350 7.760 1.00 0.00 C ATOM 156 O GLU A 10 0.180 -1.209 7.770 1.00 0.00 O ATOM 157 CB GLU A 10 -0.297 -4.137 9.234 1.00 0.00 C ATOM 158 CG GLU A 10 -1.306 -3.460 10.149 1.00 0.00 C ATOM 159 CD GLU A 10 -0.860 -3.446 11.597 1.00 0.00 C ATOM 160 OE1 GLU A 10 -0.059 -4.324 11.982 1.00 0.00 O ATOM 161 OE2 GLU A 10 -1.311 -2.556 12.349 1.00 0.00 O ATOM 0 H GLU A 10 0.195 -5.533 7.263 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.280 -3.241 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.522 -5.202 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.698 -4.041 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.467 -2.436 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.264 -3.975 10.072 1.00 0.00 H new ATOM 168 N ASP A 11 1.948 -2.600 7.707 1.00 0.00 N ATOM 169 CA ASP A 11 2.932 -1.521 7.654 1.00 0.00 C ATOM 170 C ASP A 11 2.576 -0.505 6.571 1.00 0.00 C ATOM 171 O ASP A 11 2.619 0.703 6.799 1.00 0.00 O ATOM 172 CB ASP A 11 4.328 -2.089 7.397 1.00 0.00 C ATOM 173 CG ASP A 11 5.075 -2.392 8.680 1.00 0.00 C ATOM 174 OD1 ASP A 11 4.940 -3.523 9.193 1.00 0.00 O ATOM 175 OD2 ASP A 11 5.794 -1.498 9.175 1.00 0.00 O ATOM 0 H ASP A 11 2.349 -3.538 7.700 1.00 0.00 H new ATOM 0 HA ASP A 11 2.924 -1.012 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.243 -3.001 6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.903 -1.377 6.805 1.00 0.00 H new ATOM 180 N LEU A 12 2.222 -1.009 5.395 1.00 0.00 N ATOM 181 CA LEU A 12 1.856 -0.163 4.268 1.00 0.00 C ATOM 182 C LEU A 12 0.709 0.766 4.642 1.00 0.00 C ATOM 183 O LEU A 12 0.847 1.986 4.614 1.00 0.00 O ATOM 184 CB LEU A 12 1.485 -1.040 3.051 1.00 0.00 C ATOM 185 CG LEU A 12 0.128 -0.765 2.371 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.278 -0.745 0.856 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.902 -1.810 2.780 1.00 0.00 C ATOM 0 H LEU A 12 2.181 -2.009 5.197 1.00 0.00 H new ATOM 0 HA LEU A 12 2.711 0.458 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.268 -0.926 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.498 -2.082 3.369 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.220 0.214 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.691 -0.549 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.980 0.039 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.653 -1.710 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.851 -1.597 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.554 -2.799 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.039 -1.783 3.861 1.00 0.00 H new ATOM 199 N GLN A 13 -0.424 0.174 4.986 1.00 0.00 N ATOM 200 CA GLN A 13 -1.607 0.944 5.349 1.00 0.00 C ATOM 201 C GLN A 13 -1.289 1.987 6.418 1.00 0.00 C ATOM 202 O GLN A 13 -1.786 3.111 6.367 1.00 0.00 O ATOM 203 CB GLN A 13 -2.718 0.013 5.839 1.00 0.00 C ATOM 204 CG GLN A 13 -4.100 0.646 5.809 1.00 0.00 C ATOM 205 CD GLN A 13 -4.295 1.676 6.904 1.00 0.00 C ATOM 206 OE1 GLN A 13 -4.247 1.353 8.092 1.00 0.00 O ATOM 207 NE2 GLN A 13 -4.516 2.924 6.511 1.00 0.00 N ATOM 0 H GLN A 13 -0.551 -0.837 5.022 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.947 1.469 4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.726 -0.886 5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.494 -0.302 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.258 1.118 4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.855 -0.134 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.548 3.147 5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.654 3.660 7.204 1.00 0.00 H new ATOM 216 N GLU A 14 -0.448 1.614 7.379 1.00 0.00 N ATOM 217 CA GLU A 14 -0.061 2.531 8.445 1.00 0.00 C ATOM 218 C GLU A 14 0.936 3.548 7.920 1.00 0.00 C ATOM 219 O GLU A 14 0.995 4.679 8.401 1.00 0.00 O ATOM 220 CB GLU A 14 0.537 1.762 9.625 1.00 0.00 C ATOM 221 CG GLU A 14 0.067 2.266 10.979 1.00 0.00 C ATOM 222 CD GLU A 14 0.192 1.218 12.067 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.331 0.791 12.352 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.848 0.825 12.636 1.00 0.00 O ATOM 0 H GLU A 14 -0.024 0.688 7.441 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.951 3.056 8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.279 0.707 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.624 1.829 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.649 3.145 11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.973 2.583 10.903 1.00 0.00 H new ATOM 231 N VAL A 15 1.705 3.145 6.918 1.00 0.00 N ATOM 232 CA VAL A 15 2.678 4.037 6.323 1.00 0.00 C ATOM 233 C VAL A 15 1.967 5.167 5.587 1.00 0.00 C ATOM 234 O VAL A 15 2.495 6.272 5.462 1.00 0.00 O ATOM 235 CB VAL A 15 3.645 3.275 5.383 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.175 3.256 3.928 1.00 0.00 C ATOM 237 CG2 VAL A 15 5.036 3.866 5.494 1.00 0.00 C ATOM 0 H VAL A 15 1.671 2.213 6.506 1.00 0.00 H new ATOM 0 HA VAL A 15 3.282 4.468 7.121 1.00 0.00 H new ATOM 0 HB VAL A 15 3.661 2.235 5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.895 2.708 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.202 2.769 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.093 4.278 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.714 3.328 4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.008 4.918 5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.388 3.778 6.522 1.00 0.00 H new ATOM 247 N LEU A 16 0.750 4.885 5.123 1.00 0.00 N ATOM 248 CA LEU A 16 -0.044 5.883 4.424 1.00 0.00 C ATOM 249 C LEU A 16 -0.393 7.022 5.376 1.00 0.00 C ATOM 250 O LEU A 16 -0.543 8.170 4.957 1.00 0.00 O ATOM 251 CB LEU A 16 -1.324 5.262 3.855 1.00 0.00 C ATOM 252 CG LEU A 16 -1.170 4.547 2.508 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.413 5.410 1.515 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.468 3.216 2.691 1.00 0.00 C ATOM 0 H LEU A 16 0.298 3.976 5.220 1.00 0.00 H new ATOM 0 HA LEU A 16 0.543 6.273 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.715 4.550 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.071 6.048 3.746 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.168 4.365 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.318 4.878 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.956 6.342 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.580 5.631 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.367 2.722 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.521 3.382 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.052 2.586 3.361 1.00 0.00 H new ATOM 266 N LYS A 17 -0.506 6.697 6.666 1.00 0.00 N ATOM 267 CA LYS A 17 -0.821 7.698 7.682 1.00 0.00 C ATOM 268 C LYS A 17 0.062 8.922 7.500 1.00 0.00 C ATOM 269 O LYS A 17 -0.391 10.061 7.628 1.00 0.00 O ATOM 270 CB LYS A 17 -0.629 7.120 9.084 1.00 0.00 C ATOM 271 CG LYS A 17 -0.964 8.104 10.195 1.00 0.00 C ATOM 272 CD LYS A 17 0.136 8.169 11.244 1.00 0.00 C ATOM 273 CE LYS A 17 0.784 9.544 11.290 1.00 0.00 C ATOM 274 NZ LYS A 17 -0.181 10.599 11.704 1.00 0.00 N ATOM 0 H LYS A 17 -0.384 5.751 7.029 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.865 7.990 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.255 6.234 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.405 6.795 9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.118 9.095 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.901 7.812 10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.279 7.929 12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.893 7.416 11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.623 9.527 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.189 9.788 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.338 11.403 12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.722 10.919 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.834 10.212 12.415 1.00 0.00 H new ATOM 288 N ASN A 18 1.323 8.671 7.180 1.00 0.00 N ATOM 289 CA ASN A 18 2.284 9.746 6.950 1.00 0.00 C ATOM 290 C ASN A 18 2.009 10.415 5.610 1.00 0.00 C ATOM 291 O ASN A 18 1.998 11.641 5.499 1.00 0.00 O ATOM 292 CB ASN A 18 3.713 9.197 6.968 1.00 0.00 C ATOM 293 CG ASN A 18 4.385 9.371 8.316 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.194 8.565 9.227 1.00 0.00 O ATOM 295 ND2 ASN A 18 5.177 10.428 8.450 1.00 0.00 N ATOM 0 H ASN A 18 1.707 7.732 7.073 1.00 0.00 H new ATOM 0 HA ASN A 18 2.178 10.481 7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.695 8.139 6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.303 9.703 6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.656 10.598 9.334 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.307 11.070 7.668 1.00 0.00 H new ATOM 302 N LEU A 19 1.789 9.586 4.598 1.00 0.00 N ATOM 303 CA LEU A 19 1.513 10.053 3.245 1.00 0.00 C ATOM 304 C LEU A 19 0.464 11.165 3.236 1.00 0.00 C ATOM 305 O LEU A 19 0.605 12.156 2.523 1.00 0.00 O ATOM 306 CB LEU A 19 1.068 8.856 2.389 1.00 0.00 C ATOM 307 CG LEU A 19 -0.128 9.076 1.457 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.030 8.253 0.189 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.418 8.706 2.161 1.00 0.00 C ATOM 0 H LEU A 19 1.797 8.570 4.692 1.00 0.00 H new ATOM 0 HA LEU A 19 2.422 10.482 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.916 8.539 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.828 8.030 3.059 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.166 10.131 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.828 8.420 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.942 8.552 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.089 7.196 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.259 8.867 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.384 7.657 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.539 9.327 3.048 1.00 0.00 H new ATOM 321 N HIS A 20 -0.588 10.992 4.028 1.00 0.00 N ATOM 322 CA HIS A 20 -1.663 11.979 4.105 1.00 0.00 C ATOM 323 C HIS A 20 -1.120 13.392 4.302 1.00 0.00 C ATOM 324 O HIS A 20 -1.639 14.353 3.734 1.00 0.00 O ATOM 325 CB HIS A 20 -2.606 11.646 5.265 1.00 0.00 C ATOM 326 CG HIS A 20 -3.244 10.301 5.178 1.00 0.00 C ATOM 327 ND1 HIS A 20 -3.014 9.308 6.100 1.00 0.00 N ATOM 328 CD2 HIS A 20 -4.116 9.790 4.286 1.00 0.00 C ATOM 329 CE1 HIS A 20 -3.716 8.237 5.777 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.395 8.504 4.679 1.00 0.00 N ATOM 0 H HIS A 20 -0.721 10.177 4.627 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.203 11.942 3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.048 11.710 6.199 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.389 12.403 5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.520 10.298 3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.731 7.303 6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.025 7.861 4.200 1.00 0.00 H new ATOM 339 N LYS A 21 -0.103 13.512 5.145 1.00 0.00 N ATOM 340 CA LYS A 21 0.482 14.813 5.465 1.00 0.00 C ATOM 341 C LYS A 21 1.610 15.213 4.518 1.00 0.00 C ATOM 342 O LYS A 21 2.266 16.232 4.736 1.00 0.00 O ATOM 343 CB LYS A 21 1.000 14.797 6.900 1.00 0.00 C ATOM 344 CG LYS A 21 0.066 14.088 7.859 1.00 0.00 C ATOM 345 CD LYS A 21 -1.239 14.856 8.033 1.00 0.00 C ATOM 346 CE LYS A 21 -2.223 14.563 6.906 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.636 14.631 7.372 1.00 0.00 N ATOM 0 H LYS A 21 0.336 12.725 5.622 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.307 15.556 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.974 14.309 6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.149 15.822 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.147 13.085 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.554 13.973 8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.692 14.592 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.030 15.925 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.072 15.278 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.023 13.573 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.271 14.360 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.770 13.980 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.855 15.601 7.676 1.00 0.00 H new ATOM 361 N ASN A 22 1.847 14.427 3.477 1.00 0.00 N ATOM 362 CA ASN A 22 2.913 14.748 2.536 1.00 0.00 C ATOM 363 C ASN A 22 2.528 14.428 1.095 1.00 0.00 C ATOM 364 O ASN A 22 3.352 14.555 0.193 1.00 0.00 O ATOM 365 CB ASN A 22 4.187 13.993 2.905 1.00 0.00 C ATOM 366 CG ASN A 22 4.834 14.528 4.168 1.00 0.00 C ATOM 367 OD1 ASN A 22 4.186 14.659 5.206 1.00 0.00 O ATOM 368 ND2 ASN A 22 6.123 14.839 4.086 1.00 0.00 N ATOM 0 H ASN A 22 1.326 13.576 3.264 1.00 0.00 H new ATOM 0 HA ASN A 22 3.086 15.822 2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.953 12.937 3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.897 14.060 2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.613 15.202 4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.623 14.715 3.205 1.00 0.00 H new ATOM 375 N TRP A 23 1.285 14.018 0.868 1.00 0.00 N ATOM 376 CA TRP A 23 0.845 13.696 -0.481 1.00 0.00 C ATOM 377 C TRP A 23 0.475 14.967 -1.248 1.00 0.00 C ATOM 378 O TRP A 23 0.967 15.193 -2.349 1.00 0.00 O ATOM 379 CB TRP A 23 -0.321 12.698 -0.439 1.00 0.00 C ATOM 380 CG TRP A 23 -1.655 13.297 -0.723 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.658 13.509 0.160 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.126 13.749 -1.984 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.729 14.087 -0.466 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.429 14.241 -1.796 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.563 13.786 -3.251 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.179 14.767 -2.844 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.299 14.302 -4.289 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.598 14.788 -4.085 1.00 0.00 C ATOM 0 H TRP A 23 0.574 13.902 1.590 1.00 0.00 H new ATOM 0 HA TRP A 23 1.669 13.222 -1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.131 11.905 -1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.348 12.231 0.546 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.619 13.258 1.210 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.604 14.358 -0.018 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.563 13.415 -3.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.179 15.143 -2.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.870 14.334 -5.280 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.152 15.187 -4.922 1.00 0.00 H new ATOM 399 N HIS A 24 -0.382 15.794 -0.652 1.00 0.00 N ATOM 400 CA HIS A 24 -0.801 17.049 -1.277 1.00 0.00 C ATOM 401 C HIS A 24 -1.791 17.795 -0.388 1.00 0.00 C ATOM 402 O HIS A 24 -2.920 18.074 -0.793 1.00 0.00 O ATOM 403 CB HIS A 24 -1.424 16.799 -2.650 1.00 0.00 C ATOM 404 CG HIS A 24 -1.559 18.041 -3.472 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.879 18.028 -4.813 1.00 0.00 N ATOM 406 CD2 HIS A 24 -1.415 19.344 -3.133 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.924 19.270 -5.265 1.00 0.00 C ATOM 408 NE2 HIS A 24 -1.647 20.086 -4.265 1.00 0.00 N ATOM 0 H HIS A 24 -0.800 15.619 0.262 1.00 0.00 H new ATOM 0 HA HIS A 24 0.089 17.664 -1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.814 16.077 -3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.408 16.350 -2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.165 19.728 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.149 19.566 -6.279 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.611 21.104 -4.324 1.00 0.00 H new ATOM 417 N GLY A 25 -1.362 18.111 0.826 1.00 0.00 N ATOM 418 CA GLY A 25 -2.219 18.819 1.758 1.00 0.00 C ATOM 419 C GLY A 25 -2.523 17.994 2.990 1.00 0.00 C ATOM 420 O GLY A 25 -1.675 17.845 3.870 1.00 0.00 O ATOM 0 H GLY A 25 -0.433 17.889 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.739 19.751 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.152 19.086 1.261 1.00 0.00 H new ATOM 424 N GLY A 26 -3.733 17.449 3.054 1.00 0.00 N ATOM 425 CA GLY A 26 -4.117 16.636 4.182 1.00 0.00 C ATOM 426 C GLY A 26 -4.686 15.304 3.751 1.00 0.00 C ATOM 427 O GLY A 26 -4.265 14.734 2.743 1.00 0.00 O ATOM 0 H GLY A 26 -4.453 17.559 2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.250 16.470 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.856 17.170 4.779 1.00 0.00 H new ATOM 431 N LYS A 27 -5.641 14.810 4.516 1.00 0.00 N ATOM 432 CA LYS A 27 -6.278 13.532 4.220 1.00 0.00 C ATOM 433 C LYS A 27 -7.558 13.710 3.405 1.00 0.00 C ATOM 434 O LYS A 27 -8.099 12.744 2.876 1.00 0.00 O ATOM 435 CB LYS A 27 -6.588 12.781 5.514 1.00 0.00 C ATOM 436 CG LYS A 27 -7.018 11.342 5.288 1.00 0.00 C ATOM 437 CD LYS A 27 -7.974 10.870 6.371 1.00 0.00 C ATOM 438 CE LYS A 27 -7.225 10.393 7.603 1.00 0.00 C ATOM 439 NZ LYS A 27 -7.150 11.447 8.652 1.00 0.00 N ATOM 0 H LYS A 27 -5.997 15.274 5.352 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.577 12.950 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.705 12.792 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.377 13.308 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.498 11.253 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.139 10.697 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.646 11.683 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.593 10.061 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.720 9.511 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.217 10.090 7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.631 11.081 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.655 12.279 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.112 11.718 8.941 1.00 0.00 H new ATOM 453 N ASP A 28 -8.053 14.940 3.318 1.00 0.00 N ATOM 454 CA ASP A 28 -9.284 15.211 2.577 1.00 0.00 C ATOM 455 C ASP A 28 -9.258 14.584 1.185 1.00 0.00 C ATOM 456 O ASP A 28 -10.074 13.717 0.875 1.00 0.00 O ATOM 457 CB ASP A 28 -9.532 16.719 2.471 1.00 0.00 C ATOM 458 CG ASP A 28 -8.259 17.507 2.225 1.00 0.00 C ATOM 459 OD1 ASP A 28 -7.252 16.895 1.811 1.00 0.00 O ATOM 460 OD2 ASP A 28 -8.270 18.736 2.448 1.00 0.00 O ATOM 0 H ASP A 28 -7.626 15.761 3.747 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.103 14.755 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.235 16.911 1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.000 17.071 3.390 1.00 0.00 H new ATOM 465 N ASN A 29 -8.324 15.020 0.351 1.00 0.00 N ATOM 466 CA ASN A 29 -8.212 14.488 -1.001 1.00 0.00 C ATOM 467 C ASN A 29 -7.545 13.119 -0.988 1.00 0.00 C ATOM 468 O ASN A 29 -7.807 12.284 -1.854 1.00 0.00 O ATOM 469 CB ASN A 29 -7.431 15.451 -1.895 1.00 0.00 C ATOM 470 CG ASN A 29 -8.246 16.668 -2.287 1.00 0.00 C ATOM 471 OD1 ASN A 29 -9.287 16.552 -2.934 1.00 0.00 O ATOM 472 ND2 ASN A 29 -7.775 17.847 -1.895 1.00 0.00 N ATOM 0 H ASN A 29 -7.636 15.736 0.584 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.218 14.377 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.529 15.774 -1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.110 14.927 -2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.281 18.701 -2.129 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.908 17.898 -1.360 1.00 0.00 H new ATOM 479 N LEU A 30 -6.700 12.881 0.011 1.00 0.00 N ATOM 480 CA LEU A 30 -6.025 11.598 0.136 1.00 0.00 C ATOM 481 C LEU A 30 -7.041 10.523 0.486 1.00 0.00 C ATOM 482 O LEU A 30 -6.888 9.365 0.108 1.00 0.00 O ATOM 483 CB LEU A 30 -4.939 11.660 1.214 1.00 0.00 C ATOM 484 CG LEU A 30 -3.851 10.576 1.133 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.453 9.205 1.390 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.127 10.597 -0.212 1.00 0.00 C ATOM 0 H LEU A 30 -6.469 13.556 0.740 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.550 11.357 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.457 12.636 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.419 11.594 2.190 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.113 10.792 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.672 8.447 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.902 9.185 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.218 8.998 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.367 9.816 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.844 10.422 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.653 11.568 -0.355 1.00 0.00 H new ATOM 498 N HIS A 31 -8.086 10.920 1.215 1.00 0.00 N ATOM 499 CA HIS A 31 -9.136 9.992 1.620 1.00 0.00 C ATOM 500 C HIS A 31 -9.560 9.112 0.452 1.00 0.00 C ATOM 501 O HIS A 31 -9.464 7.890 0.521 1.00 0.00 O ATOM 502 CB HIS A 31 -10.344 10.757 2.162 1.00 0.00 C ATOM 503 CG HIS A 31 -11.032 10.063 3.297 1.00 0.00 C ATOM 504 ND1 HIS A 31 -12.009 9.109 3.114 1.00 0.00 N ATOM 505 CD2 HIS A 31 -10.877 10.187 4.637 1.00 0.00 C ATOM 506 CE1 HIS A 31 -12.428 8.678 4.291 1.00 0.00 C ATOM 507 NE2 HIS A 31 -11.757 9.316 5.231 1.00 0.00 N ATOM 0 H HIS A 31 -8.225 11.878 1.535 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.738 9.354 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.020 11.744 2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.059 10.911 1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.189 10.848 5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.190 7.931 4.455 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.873 9.184 6.236 1.00 0.00 H new ATOM 516 N ASP A 32 -10.018 9.744 -0.622 1.00 0.00 N ATOM 517 CA ASP A 32 -10.448 9.010 -1.807 1.00 0.00 C ATOM 518 C ASP A 32 -9.315 8.150 -2.359 1.00 0.00 C ATOM 519 O ASP A 32 -9.552 7.175 -3.071 1.00 0.00 O ATOM 520 CB ASP A 32 -10.946 9.980 -2.882 1.00 0.00 C ATOM 521 CG ASP A 32 -12.458 10.078 -2.917 1.00 0.00 C ATOM 522 OD1 ASP A 32 -13.124 9.028 -2.797 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.977 11.204 -3.065 1.00 0.00 O ATOM 0 H ASP A 32 -10.101 10.758 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.267 8.351 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.525 10.968 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.583 9.655 -3.857 1.00 0.00 H new ATOM 528 N VAL A 33 -8.087 8.517 -2.020 1.00 0.00 N ATOM 529 CA VAL A 33 -6.916 7.784 -2.471 1.00 0.00 C ATOM 530 C VAL A 33 -6.597 6.639 -1.517 1.00 0.00 C ATOM 531 O VAL A 33 -6.693 5.471 -1.889 1.00 0.00 O ATOM 532 CB VAL A 33 -5.709 8.733 -2.613 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.400 8.057 -2.247 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.639 9.262 -4.027 1.00 0.00 C ATOM 0 H VAL A 33 -7.877 9.323 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.132 7.357 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.855 9.557 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.580 8.765 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.443 7.717 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.236 7.202 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.785 9.932 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.527 8.430 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.555 9.806 -4.258 1.00 0.00 H new ATOM 544 N ASP A 34 -6.234 6.970 -0.281 1.00 0.00 N ATOM 545 CA ASP A 34 -5.927 5.942 0.702 1.00 0.00 C ATOM 546 C ASP A 34 -7.146 5.047 0.904 1.00 0.00 C ATOM 547 O ASP A 34 -7.015 3.899 1.322 1.00 0.00 O ATOM 548 CB ASP A 34 -5.454 6.559 2.027 1.00 0.00 C ATOM 549 CG ASP A 34 -5.648 5.634 3.216 1.00 0.00 C ATOM 550 OD1 ASP A 34 -5.240 4.457 3.125 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.206 6.088 4.237 1.00 0.00 O ATOM 0 H ASP A 34 -6.147 7.928 0.058 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.105 5.331 0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.399 6.818 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.997 7.487 2.204 1.00 0.00 H new ATOM 556 N ASN A 35 -8.337 5.557 0.563 1.00 0.00 N ATOM 557 CA ASN A 35 -9.547 4.753 0.675 1.00 0.00 C ATOM 558 C ASN A 35 -9.380 3.533 -0.210 1.00 0.00 C ATOM 559 O ASN A 35 -9.728 2.415 0.169 1.00 0.00 O ATOM 560 CB ASN A 35 -10.786 5.547 0.252 1.00 0.00 C ATOM 561 CG ASN A 35 -11.443 6.264 1.416 1.00 0.00 C ATOM 562 OD1 ASN A 35 -10.765 6.766 2.313 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.769 6.315 1.407 1.00 0.00 N ATOM 0 H ASN A 35 -8.481 6.505 0.214 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.693 4.458 1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.504 6.277 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.507 4.871 -0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.266 6.784 2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.291 5.885 0.643 1.00 0.00 H new ATOM 570 N HIS A 36 -8.789 3.763 -1.379 1.00 0.00 N ATOM 571 CA HIS A 36 -8.505 2.693 -2.315 1.00 0.00 C ATOM 572 C HIS A 36 -7.515 1.745 -1.661 1.00 0.00 C ATOM 573 O HIS A 36 -7.752 0.543 -1.567 1.00 0.00 O ATOM 574 CB HIS A 36 -7.927 3.262 -3.615 1.00 0.00 C ATOM 575 CG HIS A 36 -8.880 3.202 -4.768 1.00 0.00 C ATOM 576 ND1 HIS A 36 -9.173 2.038 -5.446 1.00 0.00 N ATOM 577 CD2 HIS A 36 -9.611 4.175 -5.364 1.00 0.00 C ATOM 578 CE1 HIS A 36 -10.040 2.296 -6.409 1.00 0.00 C ATOM 579 NE2 HIS A 36 -10.323 3.585 -6.379 1.00 0.00 N ATOM 0 H HIS A 36 -8.498 4.688 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.422 2.159 -2.566 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.634 4.299 -3.450 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.022 2.712 -3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.630 5.220 -5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.448 1.575 -7.102 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.967 4.065 -7.008 1.00 0.00 H new ATOM 588 N LEU A 37 -6.413 2.314 -1.176 1.00 0.00 N ATOM 589 CA LEU A 37 -5.388 1.535 -0.488 1.00 0.00 C ATOM 590 C LEU A 37 -5.997 0.743 0.667 1.00 0.00 C ATOM 591 O LEU A 37 -6.046 -0.486 0.637 1.00 0.00 O ATOM 592 CB LEU A 37 -4.297 2.462 0.054 1.00 0.00 C ATOM 593 CG LEU A 37 -2.957 1.801 0.402 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.126 0.321 0.723 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.968 1.991 -0.736 1.00 0.00 C ATOM 0 H LEU A 37 -6.208 3.311 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.952 0.839 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.112 3.242 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.679 2.954 0.949 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.567 2.287 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.155 -0.112 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.796 0.208 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.548 -0.193 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.021 1.518 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.365 1.536 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.807 3.056 -0.905 1.00 0.00 H new ATOM 607 N GLN A 38 -6.457 1.465 1.687 1.00 0.00 N ATOM 608 CA GLN A 38 -7.064 0.848 2.863 1.00 0.00 C ATOM 609 C GLN A 38 -8.091 -0.206 2.464 1.00 0.00 C ATOM 610 O GLN A 38 -8.133 -1.292 3.038 1.00 0.00 O ATOM 611 CB GLN A 38 -7.724 1.915 3.740 1.00 0.00 C ATOM 612 CG GLN A 38 -7.483 1.717 5.228 1.00 0.00 C ATOM 613 CD GLN A 38 -7.886 2.926 6.048 1.00 0.00 C ATOM 614 OE1 GLN A 38 -7.093 3.845 6.253 1.00 0.00 O ATOM 615 NE2 GLN A 38 -9.127 2.931 6.525 1.00 0.00 N ATOM 0 H GLN A 38 -6.420 2.484 1.722 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.273 0.357 3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.349 2.896 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.798 1.915 3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.043 0.847 5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.427 1.503 5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.751 2.148 6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.455 3.718 7.085 1.00 0.00 H new ATOM 624 N ASN A 39 -8.915 0.118 1.474 1.00 0.00 N ATOM 625 CA ASN A 39 -9.934 -0.813 1.004 1.00 0.00 C ATOM 626 C ASN A 39 -9.288 -2.023 0.342 1.00 0.00 C ATOM 627 O ASN A 39 -9.874 -3.103 0.304 1.00 0.00 O ATOM 628 CB ASN A 39 -10.885 -0.125 0.023 1.00 0.00 C ATOM 629 CG ASN A 39 -11.862 0.802 0.718 1.00 0.00 C ATOM 630 OD1 ASN A 39 -11.912 0.862 1.946 1.00 0.00 O ATOM 631 ND2 ASN A 39 -12.647 1.531 -0.067 1.00 0.00 N ATOM 0 H ASN A 39 -8.898 1.012 0.984 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.508 -1.150 1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.304 0.443 -0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.439 -0.882 -0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.325 2.172 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.572 1.449 -1.081 1.00 0.00 H new ATOM 638 N VAL A 40 -8.075 -1.843 -0.167 1.00 0.00 N ATOM 639 CA VAL A 40 -7.364 -2.937 -0.805 1.00 0.00 C ATOM 640 C VAL A 40 -6.828 -3.898 0.248 1.00 0.00 C ATOM 641 O VAL A 40 -6.872 -5.112 0.066 1.00 0.00 O ATOM 642 CB VAL A 40 -6.201 -2.428 -1.689 1.00 0.00 C ATOM 643 CG1 VAL A 40 -5.380 -3.586 -2.248 1.00 0.00 C ATOM 644 CG2 VAL A 40 -6.732 -1.558 -2.820 1.00 0.00 C ATOM 0 H VAL A 40 -7.569 -0.957 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.072 -3.457 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.545 -1.825 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.571 -3.194 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.961 -4.166 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.020 -4.227 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.900 -1.209 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.416 -2.141 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.260 -0.701 -2.402 1.00 0.00 H new ATOM 654 N ILE A 41 -6.329 -3.347 1.354 1.00 0.00 N ATOM 655 CA ILE A 41 -5.789 -4.161 2.440 1.00 0.00 C ATOM 656 C ILE A 41 -6.688 -5.363 2.729 1.00 0.00 C ATOM 657 O ILE A 41 -6.205 -6.449 3.049 1.00 0.00 O ATOM 658 CB ILE A 41 -5.585 -3.331 3.731 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.492 -3.959 4.594 1.00 0.00 C ATOM 660 CG2 ILE A 41 -6.882 -3.204 4.524 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.120 -3.921 3.956 1.00 0.00 C ATOM 0 H ILE A 41 -6.288 -2.342 1.521 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.815 -4.523 2.111 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.275 -2.327 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.453 -3.439 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.757 -4.995 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.702 -2.615 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.636 -2.710 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.236 -4.196 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.395 -4.384 4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.142 -4.466 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.833 -2.886 3.771 1.00 0.00 H new ATOM 673 N GLU A 42 -7.996 -5.163 2.595 1.00 0.00 N ATOM 674 CA GLU A 42 -8.956 -6.235 2.821 1.00 0.00 C ATOM 675 C GLU A 42 -8.958 -7.194 1.643 1.00 0.00 C ATOM 676 O GLU A 42 -9.011 -8.411 1.823 1.00 0.00 O ATOM 677 CB GLU A 42 -10.357 -5.659 3.074 1.00 0.00 C ATOM 678 CG GLU A 42 -11.221 -5.539 1.825 1.00 0.00 C ATOM 679 CD GLU A 42 -12.553 -4.871 2.101 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.666 -4.172 3.131 1.00 0.00 O ATOM 681 OE2 GLU A 42 -13.486 -5.047 1.289 1.00 0.00 O ATOM 0 H GLU A 42 -8.413 -4.270 2.332 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.661 -6.792 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.871 -6.291 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.255 -4.673 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.682 -4.969 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.395 -6.532 1.411 1.00 0.00 H new ATOM 688 N ASP A 43 -8.881 -6.647 0.435 1.00 0.00 N ATOM 689 CA ASP A 43 -8.853 -7.478 -0.754 1.00 0.00 C ATOM 690 C ASP A 43 -7.613 -8.363 -0.726 1.00 0.00 C ATOM 691 O ASP A 43 -7.637 -9.487 -1.220 1.00 0.00 O ATOM 692 CB ASP A 43 -8.924 -6.624 -2.034 1.00 0.00 C ATOM 693 CG ASP A 43 -7.621 -5.931 -2.403 1.00 0.00 C ATOM 694 OD1 ASP A 43 -6.542 -6.496 -2.144 1.00 0.00 O ATOM 695 OD2 ASP A 43 -7.687 -4.821 -2.968 1.00 0.00 O ATOM 0 H ASP A 43 -8.837 -5.643 0.258 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.733 -8.121 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.230 -7.261 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.700 -5.869 -1.909 1.00 0.00 H new ATOM 700 N ILE A 44 -6.540 -7.857 -0.109 1.00 0.00 N ATOM 701 CA ILE A 44 -5.302 -8.617 0.019 1.00 0.00 C ATOM 702 C ILE A 44 -5.353 -9.489 1.269 1.00 0.00 C ATOM 703 O ILE A 44 -4.925 -10.641 1.256 1.00 0.00 O ATOM 704 CB ILE A 44 -4.047 -7.717 0.094 1.00 0.00 C ATOM 705 CG1 ILE A 44 -4.224 -6.444 -0.735 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.827 -8.484 -0.386 1.00 0.00 C ATOM 707 CD1 ILE A 44 -3.035 -5.512 -0.667 1.00 0.00 C ATOM 0 H ILE A 44 -6.508 -6.926 0.307 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.221 -9.229 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.904 -7.425 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.402 -6.718 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.112 -5.914 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.948 -7.842 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.677 -9.361 0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.979 -8.801 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.229 -4.630 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.869 -5.208 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.149 -6.025 -1.041 1.00 0.00 H new ATOM 719 N HIS A 45 -5.892 -8.935 2.354 1.00 0.00 N ATOM 720 CA HIS A 45 -6.004 -9.674 3.607 1.00 0.00 C ATOM 721 C HIS A 45 -6.840 -10.929 3.410 1.00 0.00 C ATOM 722 O HIS A 45 -6.504 -11.998 3.918 1.00 0.00 O ATOM 723 CB HIS A 45 -6.611 -8.793 4.697 1.00 0.00 C ATOM 724 CG HIS A 45 -5.599 -7.914 5.355 1.00 0.00 C ATOM 725 ND1 HIS A 45 -5.838 -7.218 6.519 1.00 0.00 N ATOM 726 CD2 HIS A 45 -4.327 -7.627 4.998 1.00 0.00 C ATOM 727 CE1 HIS A 45 -4.753 -6.538 6.853 1.00 0.00 C ATOM 728 NE2 HIS A 45 -3.822 -6.772 5.945 1.00 0.00 N ATOM 0 H HIS A 45 -6.256 -7.983 2.389 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.004 -9.971 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.397 -8.175 4.263 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.082 -9.425 5.450 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.806 -8.001 4.129 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.647 -5.901 7.719 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.880 -6.380 5.948 1.00 0.00 H new ATOM 737 N ASP A 46 -7.917 -10.800 2.646 1.00 0.00 N ATOM 738 CA ASP A 46 -8.777 -11.937 2.356 1.00 0.00 C ATOM 739 C ASP A 46 -8.191 -12.748 1.202 1.00 0.00 C ATOM 740 O ASP A 46 -8.652 -13.851 0.904 1.00 0.00 O ATOM 741 CB ASP A 46 -10.189 -11.464 2.004 1.00 0.00 C ATOM 742 CG ASP A 46 -11.231 -12.543 2.222 1.00 0.00 C ATOM 743 OD1 ASP A 46 -10.965 -13.709 1.862 1.00 0.00 O ATOM 744 OD2 ASP A 46 -12.314 -12.223 2.756 1.00 0.00 O ATOM 0 H ASP A 46 -8.214 -9.923 2.218 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.836 -12.568 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.439 -10.593 2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.213 -11.145 0.962 1.00 0.00 H new ATOM 749 N PHE A 47 -7.171 -12.186 0.556 1.00 0.00 N ATOM 750 CA PHE A 47 -6.512 -12.846 -0.573 1.00 0.00 C ATOM 751 C PHE A 47 -5.386 -13.761 -0.096 1.00 0.00 C ATOM 752 O PHE A 47 -5.159 -14.828 -0.666 1.00 0.00 O ATOM 753 CB PHE A 47 -5.984 -11.788 -1.556 1.00 0.00 C ATOM 754 CG PHE A 47 -4.546 -11.958 -1.991 1.00 0.00 C ATOM 755 CD1 PHE A 47 -3.502 -11.742 -1.104 1.00 0.00 C ATOM 756 CD2 PHE A 47 -4.246 -12.318 -3.293 1.00 0.00 C ATOM 757 CE1 PHE A 47 -2.189 -11.882 -1.509 1.00 0.00 C ATOM 758 CE2 PHE A 47 -2.933 -12.462 -3.703 1.00 0.00 C ATOM 759 CZ PHE A 47 -1.904 -12.243 -2.809 1.00 0.00 C ATOM 0 H PHE A 47 -6.781 -11.274 0.794 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.242 -13.471 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.616 -11.796 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.092 -10.806 -1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.718 -11.461 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.047 -12.489 -3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.386 -11.709 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.713 -12.746 -4.722 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.878 -12.354 -3.127 1.00 0.00 H new ATOM 769 N MET A 48 -4.681 -13.333 0.944 1.00 0.00 N ATOM 770 CA MET A 48 -3.573 -14.109 1.492 1.00 0.00 C ATOM 771 C MET A 48 -3.976 -15.564 1.724 1.00 0.00 C ATOM 772 O MET A 48 -3.140 -16.466 1.671 1.00 0.00 O ATOM 773 CB MET A 48 -3.093 -13.484 2.803 1.00 0.00 C ATOM 774 CG MET A 48 -4.078 -13.647 3.953 1.00 0.00 C ATOM 775 SD MET A 48 -3.912 -12.354 5.197 1.00 0.00 S ATOM 776 CE MET A 48 -5.001 -12.974 6.477 1.00 0.00 C ATOM 0 H MET A 48 -4.856 -12.451 1.426 1.00 0.00 H new ATOM 0 HA MET A 48 -2.760 -14.095 0.766 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.141 -13.935 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.907 -12.422 2.643 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.094 -13.639 3.560 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.925 -14.619 4.422 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.358 -12.143 7.085 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.851 -13.480 6.018 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.458 -13.677 7.108 1.00 0.00 H new ATOM 786 N GLN A 49 -5.260 -15.782 1.986 1.00 0.00 N ATOM 787 CA GLN A 49 -5.771 -17.126 2.232 1.00 0.00 C ATOM 788 C GLN A 49 -5.971 -17.894 0.930 1.00 0.00 C ATOM 789 O GLN A 49 -6.008 -19.125 0.926 1.00 0.00 O ATOM 790 CB GLN A 49 -7.088 -17.057 3.007 1.00 0.00 C ATOM 791 CG GLN A 49 -7.344 -18.270 3.886 1.00 0.00 C ATOM 792 CD GLN A 49 -8.626 -18.995 3.523 1.00 0.00 C ATOM 793 OE1 GLN A 49 -9.524 -18.421 2.908 1.00 0.00 O ATOM 794 NE2 GLN A 49 -8.717 -20.264 3.903 1.00 0.00 N ATOM 0 H GLN A 49 -5.965 -15.047 2.034 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.030 -17.660 2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.087 -16.162 3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.911 -16.952 2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.504 -18.960 3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.392 -17.955 4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.948 -20.701 4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.556 -20.802 3.687 1.00 0.00 H new ATOM 803 N GLY A 50 -6.097 -17.166 -0.173 1.00 0.00 N ATOM 804 CA GLY A 50 -6.287 -17.806 -1.462 1.00 0.00 C ATOM 805 C GLY A 50 -7.616 -17.458 -2.108 1.00 0.00 C ATOM 806 O GLY A 50 -7.865 -17.832 -3.255 1.00 0.00 O ATOM 0 H GLY A 50 -6.071 -16.147 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.477 -17.513 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.222 -18.887 -1.338 1.00 0.00 H new ATOM 810 N GLY A 51 -8.473 -16.739 -1.382 1.00 0.00 N ATOM 811 CA GLY A 51 -9.767 -16.357 -1.928 1.00 0.00 C ATOM 812 C GLY A 51 -9.646 -15.761 -3.318 1.00 0.00 C ATOM 813 O GLY A 51 -10.561 -15.867 -4.134 1.00 0.00 O ATOM 0 H GLY A 51 -8.295 -16.416 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.417 -17.231 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.241 -15.634 -1.264 1.00 0.00 H new ATOM 817 N GLY A 52 -8.502 -15.143 -3.582 1.00 0.00 N ATOM 818 CA GLY A 52 -8.250 -14.540 -4.875 1.00 0.00 C ATOM 819 C GLY A 52 -6.766 -14.425 -5.155 1.00 0.00 C ATOM 820 O GLY A 52 -6.326 -13.535 -5.885 1.00 0.00 O ATOM 0 H GLY A 52 -7.736 -15.049 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.723 -15.137 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.706 -13.551 -4.911 1.00 0.00 H new ATOM 824 N SER A 53 -5.992 -15.327 -4.558 1.00 0.00 N ATOM 825 CA SER A 53 -4.545 -15.333 -4.723 1.00 0.00 C ATOM 826 C SER A 53 -4.145 -15.847 -6.101 1.00 0.00 C ATOM 827 O SER A 53 -4.823 -16.693 -6.684 1.00 0.00 O ATOM 828 CB SER A 53 -3.892 -16.189 -3.634 1.00 0.00 C ATOM 829 OG SER A 53 -4.006 -17.570 -3.932 1.00 0.00 O ATOM 0 H SER A 53 -6.347 -16.067 -3.952 1.00 0.00 H new ATOM 0 HA SER A 53 -4.194 -14.305 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.840 -15.920 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.363 -15.981 -2.673 1.00 0.00 H new ATOM 0 HG SER A 53 -3.580 -18.094 -3.222 1.00 0.00 H new ATOM 835 N GLY A 54 -3.035 -15.326 -6.610 1.00 0.00 N ATOM 836 CA GLY A 54 -2.549 -15.736 -7.914 1.00 0.00 C ATOM 837 C GLY A 54 -3.367 -15.159 -9.053 1.00 0.00 C ATOM 838 O GLY A 54 -3.833 -15.895 -9.922 1.00 0.00 O ATOM 0 H GLY A 54 -2.461 -14.625 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.510 -15.424 -8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.564 -16.824 -7.977 1.00 0.00 H new ATOM 842 N GLY A 55 -3.541 -13.840 -9.055 1.00 0.00 N ATOM 843 CA GLY A 55 -4.305 -13.202 -10.111 1.00 0.00 C ATOM 844 C GLY A 55 -4.757 -11.797 -9.759 1.00 0.00 C ATOM 845 O GLY A 55 -4.825 -10.929 -10.629 1.00 0.00 O ATOM 0 H GLY A 55 -3.169 -13.206 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.700 -13.165 -11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.180 -13.812 -10.337 1.00 0.00 H new ATOM 849 N LYS A 56 -5.079 -11.568 -8.490 1.00 0.00 N ATOM 850 CA LYS A 56 -5.537 -10.252 -8.050 1.00 0.00 C ATOM 851 C LYS A 56 -4.375 -9.356 -7.647 1.00 0.00 C ATOM 852 O LYS A 56 -4.388 -8.160 -7.920 1.00 0.00 O ATOM 853 CB LYS A 56 -6.520 -10.389 -6.885 1.00 0.00 C ATOM 854 CG LYS A 56 -5.874 -10.849 -5.587 1.00 0.00 C ATOM 855 CD LYS A 56 -5.436 -9.670 -4.733 1.00 0.00 C ATOM 856 CE LYS A 56 -6.555 -9.205 -3.820 1.00 0.00 C ATOM 857 NZ LYS A 56 -7.840 -9.032 -4.554 1.00 0.00 N ATOM 0 H LYS A 56 -5.032 -12.270 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.043 -9.785 -8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.006 -9.428 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.301 -11.097 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.579 -11.463 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.012 -11.477 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.570 -9.953 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.124 -8.848 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.691 -9.929 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.274 -8.261 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.596 -8.796 -3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.743 -8.264 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.080 -9.916 -5.047 1.00 0.00 H new ATOM 871 N LEU A 57 -3.378 -9.929 -6.992 1.00 0.00 N ATOM 872 CA LEU A 57 -2.228 -9.152 -6.552 1.00 0.00 C ATOM 873 C LEU A 57 -1.493 -8.508 -7.726 1.00 0.00 C ATOM 874 O LEU A 57 -0.628 -7.666 -7.521 1.00 0.00 O ATOM 875 CB LEU A 57 -1.265 -10.020 -5.746 1.00 0.00 C ATOM 876 CG LEU A 57 0.018 -9.319 -5.303 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.309 -8.068 -4.503 1.00 0.00 C ATOM 878 CD2 LEU A 57 0.885 -10.264 -4.487 1.00 0.00 C ATOM 0 H LEU A 57 -3.340 -10.920 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.606 -8.353 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.785 -10.388 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.998 -10.891 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 57 0.575 -9.023 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.616 -7.581 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.892 -7.384 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.886 -8.341 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.795 -9.749 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.336 -10.590 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.146 -11.132 -5.092 1.00 0.00 H new ATOM 890 N GLN A 58 -1.828 -8.898 -8.953 1.00 0.00 N ATOM 891 CA GLN A 58 -1.173 -8.322 -10.120 1.00 0.00 C ATOM 892 C GLN A 58 -1.861 -7.027 -10.545 1.00 0.00 C ATOM 893 O GLN A 58 -1.207 -6.005 -10.750 1.00 0.00 O ATOM 894 CB GLN A 58 -1.137 -9.328 -11.279 1.00 0.00 C ATOM 895 CG GLN A 58 -2.445 -9.438 -12.047 1.00 0.00 C ATOM 896 CD GLN A 58 -2.429 -10.561 -13.067 1.00 0.00 C ATOM 897 OE1 GLN A 58 -2.510 -10.321 -14.272 1.00 0.00 O ATOM 898 NE2 GLN A 58 -2.325 -11.794 -12.588 1.00 0.00 N ATOM 0 H GLN A 58 -2.538 -9.600 -9.162 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.145 -8.085 -9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.345 -9.041 -11.971 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.876 -10.310 -10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.262 -9.602 -11.344 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.645 -8.494 -12.554 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.260 -11.946 -11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.310 -12.589 -13.226 1.00 0.00 H new ATOM 907 N GLU A 59 -3.182 -7.074 -10.667 1.00 0.00 N ATOM 908 CA GLU A 59 -3.953 -5.898 -11.049 1.00 0.00 C ATOM 909 C GLU A 59 -4.322 -5.083 -9.815 1.00 0.00 C ATOM 910 O GLU A 59 -4.479 -3.865 -9.885 1.00 0.00 O ATOM 911 CB GLU A 59 -5.217 -6.307 -11.808 1.00 0.00 C ATOM 912 CG GLU A 59 -4.945 -6.796 -13.221 1.00 0.00 C ATOM 913 CD GLU A 59 -5.882 -6.182 -14.243 1.00 0.00 C ATOM 914 OE1 GLU A 59 -7.090 -6.497 -14.204 1.00 0.00 O ATOM 915 OE2 GLU A 59 -5.408 -5.386 -15.081 1.00 0.00 O ATOM 0 H GLU A 59 -3.741 -7.912 -10.507 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.338 -5.282 -11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.727 -7.094 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.897 -5.456 -11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.915 -6.561 -13.491 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.042 -7.881 -13.251 1.00 0.00 H new ATOM 922 N MET A 60 -4.455 -5.771 -8.686 1.00 0.00 N ATOM 923 CA MET A 60 -4.802 -5.120 -7.431 1.00 0.00 C ATOM 924 C MET A 60 -3.595 -4.409 -6.836 1.00 0.00 C ATOM 925 O MET A 60 -3.736 -3.358 -6.211 1.00 0.00 O ATOM 926 CB MET A 60 -5.349 -6.140 -6.432 1.00 0.00 C ATOM 927 CG MET A 60 -6.219 -5.523 -5.350 1.00 0.00 C ATOM 928 SD MET A 60 -7.979 -5.654 -5.723 1.00 0.00 S ATOM 929 CE MET A 60 -8.045 -4.868 -7.330 1.00 0.00 C ATOM 0 H MET A 60 -4.327 -6.781 -8.616 1.00 0.00 H new ATOM 0 HA MET A 60 -5.573 -4.379 -7.640 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.930 -6.889 -6.971 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.514 -6.661 -5.963 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.015 -6.015 -4.399 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.953 -4.473 -5.229 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.083 -4.663 -7.592 1.00 0.00 H new ATOM 0 HE2 MET A 60 -7.486 -3.933 -7.301 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.606 -5.530 -8.077 1.00 0.00 H new ATOM 939 N MET A 61 -2.403 -4.975 -7.032 1.00 0.00 N ATOM 940 CA MET A 61 -1.190 -4.355 -6.499 1.00 0.00 C ATOM 941 C MET A 61 -1.091 -2.903 -6.955 1.00 0.00 C ATOM 942 O MET A 61 -0.725 -2.018 -6.183 1.00 0.00 O ATOM 943 CB MET A 61 0.063 -5.108 -6.949 1.00 0.00 C ATOM 944 CG MET A 61 0.162 -5.266 -8.456 1.00 0.00 C ATOM 945 SD MET A 61 1.211 -4.010 -9.215 1.00 0.00 S ATOM 946 CE MET A 61 2.228 -5.022 -10.288 1.00 0.00 C ATOM 0 H MET A 61 -2.253 -5.844 -7.545 1.00 0.00 H new ATOM 0 HA MET A 61 -1.252 -4.396 -5.412 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.945 -4.579 -6.588 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.071 -6.095 -6.486 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.558 -6.255 -8.689 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.836 -5.212 -8.890 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.931 -4.387 -10.828 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.780 -5.747 -9.689 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.593 -5.548 -11.001 1.00 0.00 H new ATOM 956 N LYS A 62 -1.425 -2.667 -8.220 1.00 0.00 N ATOM 957 CA LYS A 62 -1.375 -1.323 -8.780 1.00 0.00 C ATOM 958 C LYS A 62 -2.260 -0.367 -7.984 1.00 0.00 C ATOM 959 O LYS A 62 -2.041 0.844 -7.989 1.00 0.00 O ATOM 960 CB LYS A 62 -1.814 -1.342 -10.247 1.00 0.00 C ATOM 961 CG LYS A 62 -0.665 -1.530 -11.223 1.00 0.00 C ATOM 962 CD LYS A 62 -0.113 -0.196 -11.698 1.00 0.00 C ATOM 963 CE LYS A 62 1.238 -0.363 -12.377 1.00 0.00 C ATOM 964 NZ LYS A 62 1.835 0.948 -12.754 1.00 0.00 N ATOM 0 H LYS A 62 -1.732 -3.387 -8.874 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.345 -0.970 -8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.537 -2.145 -10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.326 -0.407 -10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.129 -2.104 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.006 -2.110 -12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.816 0.264 -12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.014 0.481 -10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.917 -0.893 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.123 -0.979 -13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.755 0.791 -13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.199 1.443 -13.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.969 1.527 -11.900 1.00 0.00 H new ATOM 978 N GLU A 63 -3.261 -0.917 -7.303 1.00 0.00 N ATOM 979 CA GLU A 63 -4.177 -0.106 -6.509 1.00 0.00 C ATOM 980 C GLU A 63 -3.480 0.491 -5.292 1.00 0.00 C ATOM 981 O GLU A 63 -3.681 1.662 -4.967 1.00 0.00 O ATOM 982 CB GLU A 63 -5.385 -0.932 -6.065 1.00 0.00 C ATOM 983 CG GLU A 63 -6.711 -0.252 -6.352 1.00 0.00 C ATOM 984 CD GLU A 63 -7.679 -1.146 -7.101 1.00 0.00 C ATOM 985 OE1 GLU A 63 -7.242 -1.838 -8.044 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.876 -1.154 -6.744 1.00 0.00 O ATOM 0 H GLU A 63 -3.458 -1.918 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.520 0.713 -7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.362 -1.898 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.309 -1.130 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.165 0.060 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.532 0.651 -6.935 1.00 0.00 H new ATOM 993 N PHE A 64 -2.664 -0.312 -4.616 1.00 0.00 N ATOM 994 CA PHE A 64 -1.950 0.158 -3.438 1.00 0.00 C ATOM 995 C PHE A 64 -0.872 1.159 -3.834 1.00 0.00 C ATOM 996 O PHE A 64 -0.535 2.062 -3.068 1.00 0.00 O ATOM 997 CB PHE A 64 -1.353 -1.028 -2.659 1.00 0.00 C ATOM 998 CG PHE A 64 -0.128 -1.645 -3.282 1.00 0.00 C ATOM 999 CD1 PHE A 64 1.058 -0.934 -3.395 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.169 -2.947 -3.748 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.175 -1.511 -3.966 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.944 -3.529 -4.319 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.117 -2.811 -4.429 1.00 0.00 C ATOM 0 H PHE A 64 -2.483 -1.285 -4.863 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.655 0.667 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.101 -0.693 -1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.118 -1.798 -2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.108 0.082 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.084 -3.515 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.092 -0.947 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.897 -4.546 -4.680 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.989 -3.265 -4.877 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.343 0.996 -5.039 1.00 0.00 N ATOM 1014 CA GLN A 65 0.688 1.890 -5.549 1.00 0.00 C ATOM 1015 C GLN A 65 0.058 3.154 -6.127 1.00 0.00 C ATOM 1016 O GLN A 65 0.656 4.230 -6.095 1.00 0.00 O ATOM 1017 CB GLN A 65 1.525 1.185 -6.617 1.00 0.00 C ATOM 1018 CG GLN A 65 2.816 1.912 -6.957 1.00 0.00 C ATOM 1019 CD GLN A 65 3.840 1.006 -7.612 1.00 0.00 C ATOM 1020 OE1 GLN A 65 4.043 -0.132 -7.188 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.494 1.509 -8.653 1.00 0.00 N ATOM 0 H GLN A 65 -0.611 0.252 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 65 1.340 2.170 -4.722 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.764 0.179 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.928 1.079 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.595 2.745 -7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.241 2.336 -6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.294 2.457 -8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.196 0.947 -9.134 1.00 0.00 H new ATOM 1030 N GLN A 66 -1.158 3.015 -6.655 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.876 4.144 -7.240 1.00 0.00 C ATOM 1032 C GLN A 66 -2.002 5.281 -6.231 1.00 0.00 C ATOM 1033 O GLN A 66 -1.832 6.451 -6.574 1.00 0.00 O ATOM 1034 CB GLN A 66 -3.264 3.707 -7.715 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.588 4.150 -9.133 1.00 0.00 C ATOM 1036 CD GLN A 66 -3.196 3.118 -10.171 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -3.999 2.747 -11.029 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -1.956 2.647 -10.100 1.00 0.00 N ATOM 0 H GLN A 66 -1.665 2.131 -6.689 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.308 4.502 -8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.333 2.621 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.015 4.111 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.656 4.351 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.071 5.086 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.324 2.982 -9.373 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.636 1.950 -10.773 1.00 0.00 H new ATOM 1047 N VAL A 67 -2.288 4.925 -4.982 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.420 5.913 -3.917 1.00 0.00 C ATOM 1049 C VAL A 67 -1.149 6.749 -3.820 1.00 0.00 C ATOM 1050 O VAL A 67 -1.197 7.979 -3.814 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.704 5.216 -2.566 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.407 6.127 -1.377 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -4.142 4.722 -2.527 1.00 0.00 C ATOM 0 H VAL A 67 -2.433 3.961 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.258 6.569 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.033 4.361 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.621 5.596 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.357 6.418 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.031 7.019 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.333 4.233 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.820 5.567 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.305 4.012 -3.338 1.00 0.00 H new ATOM 1063 N LEU A 68 -0.014 6.068 -3.762 1.00 0.00 N ATOM 1064 CA LEU A 68 1.276 6.734 -3.686 1.00 0.00 C ATOM 1065 C LEU A 68 1.528 7.564 -4.944 1.00 0.00 C ATOM 1066 O LEU A 68 2.387 8.441 -4.952 1.00 0.00 O ATOM 1067 CB LEU A 68 2.376 5.703 -3.482 1.00 0.00 C ATOM 1068 CG LEU A 68 2.762 5.497 -2.017 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.106 4.244 -1.451 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.277 5.428 -1.875 1.00 0.00 C ATOM 0 H LEU A 68 0.039 5.049 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 68 1.275 7.415 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.051 4.750 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.259 6.012 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 68 2.400 6.350 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.397 4.121 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.022 4.339 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.429 3.374 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.538 5.281 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.660 4.595 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.719 6.358 -2.232 1.00 0.00 H new ATOM 1082 N ASP A 69 0.759 7.298 -6.002 1.00 0.00 N ATOM 1083 CA ASP A 69 0.891 8.046 -7.248 1.00 0.00 C ATOM 1084 C ASP A 69 0.486 9.498 -7.017 1.00 0.00 C ATOM 1085 O ASP A 69 1.299 10.411 -7.160 1.00 0.00 O ATOM 1086 CB ASP A 69 0.024 7.423 -8.343 1.00 0.00 C ATOM 1087 CG ASP A 69 0.680 7.491 -9.708 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.346 8.507 -9.997 1.00 0.00 O ATOM 1089 OD2 ASP A 69 0.527 6.528 -10.488 1.00 0.00 O ATOM 0 H ASP A 69 0.042 6.573 -6.018 1.00 0.00 H new ATOM 0 HA ASP A 69 1.931 8.010 -7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.180 6.382 -8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.937 7.937 -8.379 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.771 9.698 -6.622 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.282 11.036 -6.326 1.00 0.00 C ATOM 1096 C GLU A 70 -0.338 11.735 -5.362 1.00 0.00 C ATOM 1097 O GLU A 70 -0.119 12.944 -5.428 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.664 10.930 -5.668 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.558 12.129 -5.910 1.00 0.00 C ATOM 1100 CD GLU A 70 -4.627 11.862 -6.952 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -5.713 11.372 -6.577 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -4.378 12.144 -8.144 1.00 0.00 O ATOM 0 H GLU A 70 -1.454 8.951 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.357 11.601 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.164 10.036 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.534 10.798 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.034 12.417 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.948 12.973 -6.230 1.00 0.00 H new ATOM 1109 N LEU A 71 0.192 10.930 -4.459 1.00 0.00 N ATOM 1110 CA LEU A 71 1.102 11.370 -3.421 1.00 0.00 C ATOM 1111 C LEU A 71 2.473 11.757 -3.976 1.00 0.00 C ATOM 1112 O LEU A 71 2.847 12.929 -3.963 1.00 0.00 O ATOM 1113 CB LEU A 71 1.214 10.227 -2.419 1.00 0.00 C ATOM 1114 CG LEU A 71 2.393 10.272 -1.457 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.939 10.747 -0.090 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.013 8.893 -1.353 1.00 0.00 C ATOM 0 H LEU A 71 -0.004 9.929 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 71 0.717 12.272 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.297 10.199 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.265 9.291 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 71 3.137 10.973 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.792 10.774 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.511 11.746 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.186 10.063 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.857 8.925 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.270 8.187 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.359 8.574 -2.336 1.00 0.00 H new ATOM 1128 N ASN A 72 3.222 10.768 -4.446 1.00 0.00 N ATOM 1129 CA ASN A 72 4.558 11.007 -4.988 1.00 0.00 C ATOM 1130 C ASN A 72 4.552 12.133 -6.019 1.00 0.00 C ATOM 1131 O ASN A 72 5.567 12.796 -6.232 1.00 0.00 O ATOM 1132 CB ASN A 72 5.116 9.728 -5.619 1.00 0.00 C ATOM 1133 CG ASN A 72 6.193 9.086 -4.765 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.049 9.772 -4.206 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.156 7.763 -4.661 1.00 0.00 N ATOM 0 H ASN A 72 2.929 9.791 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 72 5.198 11.309 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.304 9.017 -5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.525 9.960 -6.602 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.855 7.276 -4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.428 7.234 -5.142 1.00 0.00 H new ATOM 1142 N ASN A 73 3.408 12.342 -6.659 1.00 0.00 N ATOM 1143 CA ASN A 73 3.283 13.384 -7.668 1.00 0.00 C ATOM 1144 C ASN A 73 2.873 14.719 -7.047 1.00 0.00 C ATOM 1145 O ASN A 73 2.543 15.663 -7.766 1.00 0.00 O ATOM 1146 CB ASN A 73 2.260 12.972 -8.729 1.00 0.00 C ATOM 1147 CG ASN A 73 2.205 13.948 -9.887 1.00 0.00 C ATOM 1148 OD1 ASN A 73 1.430 14.904 -9.873 1.00 0.00 O ATOM 1149 ND2 ASN A 73 3.030 13.711 -10.901 1.00 0.00 N ATOM 0 H ASN A 73 2.556 11.805 -6.497 1.00 0.00 H new ATOM 0 HA ASN A 73 4.260 13.512 -8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.510 11.980 -9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.274 12.900 -8.271 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.037 14.334 -11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.656 12.907 -10.872 1.00 0.00 H new ATOM 1156 N HIS A 74 2.888 14.803 -5.717 1.00 0.00 N ATOM 1157 CA HIS A 74 2.505 16.038 -5.040 1.00 0.00 C ATOM 1158 C HIS A 74 3.159 16.171 -3.674 1.00 0.00 C ATOM 1159 O HIS A 74 2.611 16.834 -2.797 1.00 0.00 O ATOM 1160 CB HIS A 74 0.985 16.115 -4.900 1.00 0.00 C ATOM 1161 CG HIS A 74 0.281 16.453 -6.177 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.303 17.712 -6.739 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.471 15.687 -7.004 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.405 17.706 -7.856 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.884 16.490 -8.038 1.00 0.00 N ATOM 0 H HIS A 74 3.158 14.041 -5.095 1.00 0.00 H new ATOM 0 HA HIS A 74 2.858 16.866 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.614 15.158 -4.533 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.735 16.864 -4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.702 14.640 -6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.564 18.552 -8.508 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.467 16.194 -8.821 1.00 0.00 H new ATOM 1174 N LEU A 75 4.342 15.579 -3.503 1.00 0.00 N ATOM 1175 CA LEU A 75 5.064 15.691 -2.235 1.00 0.00 C ATOM 1176 C LEU A 75 5.117 17.155 -1.828 1.00 0.00 C ATOM 1177 O LEU A 75 6.065 17.871 -2.151 1.00 0.00 O ATOM 1178 CB LEU A 75 6.482 15.147 -2.372 1.00 0.00 C ATOM 1179 CG LEU A 75 6.758 13.847 -1.622 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.140 13.879 -0.232 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.243 12.655 -2.412 1.00 0.00 C ATOM 0 H LEU A 75 4.815 15.024 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 75 4.544 15.107 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.692 14.988 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.180 15.906 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 75 7.837 13.744 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.351 12.941 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.564 14.707 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.061 14.012 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.449 11.737 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.168 12.755 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.742 12.617 -3.380 1.00 0.00 H new ATOM 1193 N GLN A 76 4.068 17.601 -1.164 1.00 0.00 N ATOM 1194 CA GLN A 76 3.956 18.990 -0.758 1.00 0.00 C ATOM 1195 C GLN A 76 4.723 19.274 0.531 1.00 0.00 C ATOM 1196 O GLN A 76 5.313 20.342 0.689 1.00 0.00 O ATOM 1197 CB GLN A 76 2.483 19.365 -0.576 1.00 0.00 C ATOM 1198 CG GLN A 76 1.875 20.050 -1.789 1.00 0.00 C ATOM 1199 CD GLN A 76 2.318 21.494 -1.927 1.00 0.00 C ATOM 1200 OE1 GLN A 76 2.216 22.279 -0.985 1.00 0.00 O ATOM 1201 NE2 GLN A 76 2.812 21.850 -3.107 1.00 0.00 N ATOM 0 H GLN A 76 3.276 17.018 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 76 4.398 19.598 -1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.912 18.463 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.388 20.023 0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.153 19.501 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.788 20.013 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.878 21.165 -3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.126 22.808 -3.260 1.00 0.00 H new ATOM 1210 N GLY A 77 4.694 18.320 1.455 1.00 0.00 N ATOM 1211 CA GLY A 77 5.373 18.499 2.726 1.00 0.00 C ATOM 1212 C GLY A 77 6.848 18.156 2.669 1.00 0.00 C ATOM 1213 O GLY A 77 7.698 18.993 2.975 1.00 0.00 O ATOM 0 H GLY A 77 4.213 17.427 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.260 19.534 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.891 17.876 3.479 1.00 0.00 H new ATOM 1217 N GLY A 78 7.154 16.923 2.286 1.00 0.00 N ATOM 1218 CA GLY A 78 8.534 16.495 2.207 1.00 0.00 C ATOM 1219 C GLY A 78 8.659 15.023 1.880 1.00 0.00 C ATOM 1220 O GLY A 78 8.138 14.171 2.600 1.00 0.00 O ATOM 0 H GLY A 78 6.469 16.212 2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.051 17.080 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.030 16.698 3.156 1.00 0.00 H new ATOM 1224 N LYS A 79 9.346 14.728 0.783 1.00 0.00 N ATOM 1225 CA LYS A 79 9.545 13.352 0.338 1.00 0.00 C ATOM 1226 C LYS A 79 9.883 12.422 1.498 1.00 0.00 C ATOM 1227 O LYS A 79 9.553 11.241 1.464 1.00 0.00 O ATOM 1228 CB LYS A 79 10.656 13.290 -0.713 1.00 0.00 C ATOM 1229 CG LYS A 79 10.401 14.182 -1.919 1.00 0.00 C ATOM 1230 CD LYS A 79 11.572 15.117 -2.179 1.00 0.00 C ATOM 1231 CE LYS A 79 11.752 16.112 -1.045 1.00 0.00 C ATOM 1232 NZ LYS A 79 12.943 16.981 -1.250 1.00 0.00 N ATOM 0 H LYS A 79 9.778 15.428 0.180 1.00 0.00 H new ATOM 0 HA LYS A 79 8.606 13.014 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.600 13.579 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.769 12.260 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.225 13.564 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.496 14.767 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.485 14.534 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.410 15.654 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.860 16.733 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.854 15.573 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.029 17.645 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.798 16.391 -1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.835 17.515 -2.136 1.00 0.00 H new ATOM 1246 N HIS A 80 10.542 12.958 2.522 1.00 0.00 N ATOM 1247 CA HIS A 80 10.923 12.162 3.690 1.00 0.00 C ATOM 1248 C HIS A 80 9.787 11.245 4.134 1.00 0.00 C ATOM 1249 O HIS A 80 10.022 10.122 4.579 1.00 0.00 O ATOM 1250 CB HIS A 80 11.346 13.074 4.843 1.00 0.00 C ATOM 1251 CG HIS A 80 12.225 12.398 5.849 1.00 0.00 C ATOM 1252 ND1 HIS A 80 13.114 11.397 5.520 1.00 0.00 N ATOM 1253 CD2 HIS A 80 12.349 12.585 7.184 1.00 0.00 C ATOM 1254 CE1 HIS A 80 13.747 10.997 6.609 1.00 0.00 C ATOM 1255 NE2 HIS A 80 13.301 11.703 7.632 1.00 0.00 N ATOM 0 H HIS A 80 10.824 13.937 2.569 1.00 0.00 H new ATOM 0 HA HIS A 80 11.768 11.536 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.870 13.939 4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.454 13.449 5.345 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.801 13.296 7.785 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.500 10.225 6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.613 11.608 8.598 1.00 0.00 H new ATOM 1264 N THR A 81 8.556 11.722 3.993 1.00 0.00 N ATOM 1265 CA THR A 81 7.391 10.932 4.359 1.00 0.00 C ATOM 1266 C THR A 81 7.228 9.786 3.376 1.00 0.00 C ATOM 1267 O THR A 81 7.524 8.634 3.692 1.00 0.00 O ATOM 1268 CB THR A 81 6.136 11.812 4.368 1.00 0.00 C ATOM 1269 OG1 THR A 81 6.019 12.503 5.598 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.840 11.051 4.146 1.00 0.00 C ATOM 0 H THR A 81 8.341 12.650 3.629 1.00 0.00 H new ATOM 0 HA THR A 81 7.531 10.525 5.361 1.00 0.00 H new ATOM 0 HB THR A 81 6.273 12.497 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.115 12.381 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.001 11.747 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.873 10.551 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.715 10.308 4.934 1.00 0.00 H new ATOM 1278 N VAL A 82 6.769 10.121 2.177 1.00 0.00 N ATOM 1279 CA VAL A 82 6.570 9.133 1.128 1.00 0.00 C ATOM 1280 C VAL A 82 7.793 8.245 0.974 1.00 0.00 C ATOM 1281 O VAL A 82 7.661 7.050 0.759 1.00 0.00 O ATOM 1282 CB VAL A 82 6.265 9.796 -0.225 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.906 8.748 -1.268 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.150 10.815 -0.073 1.00 0.00 C ATOM 0 H VAL A 82 6.527 11.074 1.907 1.00 0.00 H new ATOM 0 HA VAL A 82 5.714 8.528 1.428 1.00 0.00 H new ATOM 0 HB VAL A 82 7.160 10.316 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.694 9.238 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.741 8.059 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.026 8.195 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.945 11.277 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.250 10.318 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.453 11.583 0.639 1.00 0.00 H new ATOM 1294 N HIS A 83 8.988 8.822 1.098 1.00 0.00 N ATOM 1295 CA HIS A 83 10.209 8.036 0.977 1.00 0.00 C ATOM 1296 C HIS A 83 10.121 6.819 1.885 1.00 0.00 C ATOM 1297 O HIS A 83 10.498 5.713 1.503 1.00 0.00 O ATOM 1298 CB HIS A 83 11.439 8.874 1.336 1.00 0.00 C ATOM 1299 CG HIS A 83 12.642 8.556 0.504 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.760 7.923 1.007 1.00 0.00 N ATOM 1301 CD2 HIS A 83 12.900 8.785 -0.805 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.652 7.778 0.044 1.00 0.00 C ATOM 1303 NE2 HIS A 83 14.155 8.292 -1.066 1.00 0.00 N ATOM 0 H HIS A 83 9.133 9.815 1.279 1.00 0.00 H new ATOM 0 HA HIS A 83 10.314 7.712 -0.058 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.196 9.930 1.220 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.682 8.717 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.241 9.266 -1.513 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.623 7.317 0.147 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.626 8.319 -1.970 1.00 0.00 H new ATOM 1312 N HIS A 84 9.595 7.036 3.085 1.00 0.00 N ATOM 1313 CA HIS A 84 9.424 5.961 4.050 1.00 0.00 C ATOM 1314 C HIS A 84 8.230 5.088 3.676 1.00 0.00 C ATOM 1315 O HIS A 84 8.191 3.902 3.999 1.00 0.00 O ATOM 1316 CB HIS A 84 9.235 6.534 5.456 1.00 0.00 C ATOM 1317 CG HIS A 84 9.496 5.542 6.546 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.739 5.354 7.112 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.663 4.680 7.178 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.661 4.420 8.043 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.412 3.996 8.104 1.00 0.00 N ATOM 0 H HIS A 84 9.280 7.949 3.412 1.00 0.00 H new ATOM 0 HA HIS A 84 10.323 5.344 4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.902 7.387 5.585 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.216 6.909 5.553 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.607 4.554 6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.480 4.064 8.651 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.060 3.277 8.736 1.00 0.00 H new ATOM 1330 N ILE A 85 7.251 5.686 2.994 1.00 0.00 N ATOM 1331 CA ILE A 85 6.056 4.956 2.585 1.00 0.00 C ATOM 1332 C ILE A 85 6.278 4.236 1.254 1.00 0.00 C ATOM 1333 O ILE A 85 5.753 3.147 1.042 1.00 0.00 O ATOM 1334 CB ILE A 85 4.781 5.867 2.545 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.308 6.185 1.124 1.00 0.00 C ATOM 1336 CG2 ILE A 85 4.993 7.151 3.320 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.801 6.349 1.028 1.00 0.00 C ATOM 0 H ILE A 85 7.264 6.667 2.716 1.00 0.00 H new ATOM 0 HA ILE A 85 5.869 4.200 3.347 1.00 0.00 H new ATOM 0 HB ILE A 85 3.992 5.287 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.791 7.100 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.625 5.387 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.089 7.759 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.216 6.915 4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.826 7.704 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.524 6.573 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.314 5.426 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.482 7.166 1.675 1.00 0.00 H new ATOM 1349 N GLU A 86 7.075 4.834 0.373 1.00 0.00 N ATOM 1350 CA GLU A 86 7.378 4.226 -0.918 1.00 0.00 C ATOM 1351 C GLU A 86 8.370 3.090 -0.729 1.00 0.00 C ATOM 1352 O GLU A 86 8.180 1.997 -1.258 1.00 0.00 O ATOM 1353 CB GLU A 86 7.926 5.267 -1.902 1.00 0.00 C ATOM 1354 CG GLU A 86 9.028 6.141 -1.331 1.00 0.00 C ATOM 1355 CD GLU A 86 10.320 6.051 -2.121 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.479 5.082 -2.893 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.172 6.951 -1.970 1.00 0.00 O ATOM 0 H GLU A 86 7.522 5.737 0.529 1.00 0.00 H new ATOM 0 HA GLU A 86 6.456 3.826 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.306 4.752 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.106 5.905 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.690 7.177 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.218 5.849 -0.298 1.00 0.00 H new ATOM 1364 N GLN A 87 9.413 3.334 0.063 1.00 0.00 N ATOM 1365 CA GLN A 87 10.398 2.299 0.341 1.00 0.00 C ATOM 1366 C GLN A 87 9.698 1.118 0.999 1.00 0.00 C ATOM 1367 O GLN A 87 10.106 -0.031 0.844 1.00 0.00 O ATOM 1368 CB GLN A 87 11.506 2.828 1.256 1.00 0.00 C ATOM 1369 CG GLN A 87 12.765 3.245 0.513 1.00 0.00 C ATOM 1370 CD GLN A 87 12.482 4.206 -0.625 1.00 0.00 C ATOM 1371 OE1 GLN A 87 12.376 5.415 -0.420 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.358 3.671 -1.834 1.00 0.00 N ATOM 0 H GLN A 87 9.594 4.229 0.517 1.00 0.00 H new ATOM 0 HA GLN A 87 10.859 1.985 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.126 3.682 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.762 2.058 1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.457 3.712 1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.260 2.357 0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.454 2.663 -1.958 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.167 4.268 -2.639 1.00 0.00 H new ATOM 1381 N ASN A 88 8.625 1.424 1.724 1.00 0.00 N ATOM 1382 CA ASN A 88 7.833 0.411 2.401 1.00 0.00 C ATOM 1383 C ASN A 88 6.833 -0.217 1.435 1.00 0.00 C ATOM 1384 O ASN A 88 6.901 -1.411 1.146 1.00 0.00 O ATOM 1385 CB ASN A 88 7.094 1.027 3.593 1.00 0.00 C ATOM 1386 CG ASN A 88 7.861 0.874 4.891 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.414 0.192 5.813 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.025 1.510 4.970 1.00 0.00 N ATOM 0 H ASN A 88 8.285 2.377 1.856 1.00 0.00 H new ATOM 0 HA ASN A 88 8.504 -0.367 2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.919 2.085 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.117 0.555 3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.586 1.444 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.358 2.065 4.181 1.00 0.00 H new ATOM 1395 N ILE A 89 5.902 0.598 0.937 1.00 0.00 N ATOM 1396 CA ILE A 89 4.885 0.119 0.008 1.00 0.00 C ATOM 1397 C ILE A 89 5.510 -0.558 -1.200 1.00 0.00 C ATOM 1398 O ILE A 89 5.049 -1.614 -1.635 1.00 0.00 O ATOM 1399 CB ILE A 89 3.936 1.256 -0.460 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.540 1.012 0.092 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.883 1.367 -1.982 1.00 0.00 C ATOM 1402 CD1 ILE A 89 1.952 2.210 0.817 1.00 0.00 C ATOM 0 H ILE A 89 5.834 1.590 1.163 1.00 0.00 H new ATOM 0 HA ILE A 89 4.292 -0.614 0.555 1.00 0.00 H new ATOM 0 HB ILE A 89 4.329 2.198 -0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.878 0.734 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.573 0.164 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.208 2.175 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.881 1.577 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.522 0.428 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.956 1.961 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.592 2.476 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.886 3.054 0.131 1.00 0.00 H new ATOM 1414 N LYS A 90 6.552 0.046 -1.747 1.00 0.00 N ATOM 1415 CA LYS A 90 7.203 -0.532 -2.906 1.00 0.00 C ATOM 1416 C LYS A 90 7.805 -1.884 -2.549 1.00 0.00 C ATOM 1417 O LYS A 90 7.898 -2.774 -3.392 1.00 0.00 O ATOM 1418 CB LYS A 90 8.276 0.404 -3.465 1.00 0.00 C ATOM 1419 CG LYS A 90 7.734 1.747 -3.928 1.00 0.00 C ATOM 1420 CD LYS A 90 7.288 1.698 -5.380 1.00 0.00 C ATOM 1421 CE LYS A 90 6.855 3.068 -5.877 1.00 0.00 C ATOM 1422 NZ LYS A 90 5.518 3.454 -5.348 1.00 0.00 N ATOM 0 H LYS A 90 6.958 0.920 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 90 6.451 -0.674 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.034 0.572 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.772 -0.086 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.893 2.038 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.502 2.511 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.104 1.326 -6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.462 0.994 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.593 3.813 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.828 3.067 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.918 3.787 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.072 2.630 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.628 4.215 -4.648 1.00 0.00 H new ATOM 1436 N GLU A 91 8.190 -2.038 -1.285 1.00 0.00 N ATOM 1437 CA GLU A 91 8.752 -3.292 -0.804 1.00 0.00 C ATOM 1438 C GLU A 91 7.641 -4.197 -0.277 1.00 0.00 C ATOM 1439 O GLU A 91 7.877 -5.359 0.054 1.00 0.00 O ATOM 1440 CB GLU A 91 9.783 -3.038 0.298 1.00 0.00 C ATOM 1441 CG GLU A 91 11.221 -3.069 -0.193 1.00 0.00 C ATOM 1442 CD GLU A 91 11.734 -1.699 -0.585 1.00 0.00 C ATOM 1443 OE1 GLU A 91 11.545 -1.305 -1.755 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.326 -1.017 0.279 1.00 0.00 O ATOM 0 H GLU A 91 8.122 -1.308 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 91 9.251 -3.785 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.584 -2.067 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.659 -3.788 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.859 -3.481 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.294 -3.739 -1.050 1.00 0.00 H new ATOM 1451 N ILE A 92 6.424 -3.656 -0.213 1.00 0.00 N ATOM 1452 CA ILE A 92 5.279 -4.408 0.256 1.00 0.00 C ATOM 1453 C ILE A 92 4.877 -5.420 -0.802 1.00 0.00 C ATOM 1454 O ILE A 92 4.587 -6.574 -0.497 1.00 0.00 O ATOM 1455 CB ILE A 92 4.097 -3.470 0.609 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.008 -3.300 2.127 1.00 0.00 C ATOM 1457 CG2 ILE A 92 2.776 -3.989 0.057 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.304 -2.850 2.763 1.00 0.00 C ATOM 0 H ILE A 92 6.214 -2.695 -0.483 1.00 0.00 H new ATOM 0 HA ILE A 92 5.552 -4.936 1.170 1.00 0.00 H new ATOM 0 HB ILE A 92 4.286 -2.503 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.228 -2.574 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.704 -4.247 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.974 -3.302 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.840 -4.064 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.568 -4.973 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.166 -2.751 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.082 -3.587 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.600 -1.888 2.345 1.00 0.00 H new ATOM 1470 N PHE A 93 4.892 -4.981 -2.054 1.00 0.00 N ATOM 1471 CA PHE A 93 4.555 -5.853 -3.166 1.00 0.00 C ATOM 1472 C PHE A 93 5.490 -7.065 -3.195 1.00 0.00 C ATOM 1473 O PHE A 93 5.130 -8.130 -3.691 1.00 0.00 O ATOM 1474 CB PHE A 93 4.650 -5.080 -4.487 1.00 0.00 C ATOM 1475 CG PHE A 93 5.927 -5.340 -5.232 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.143 -5.123 -4.614 1.00 0.00 C ATOM 1477 CD2 PHE A 93 5.911 -5.828 -6.525 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.325 -5.383 -5.268 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.093 -6.092 -7.191 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.302 -5.871 -6.561 1.00 0.00 C ATOM 0 H PHE A 93 5.134 -4.027 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 93 3.532 -6.207 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.805 -5.351 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.566 -4.013 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.166 -4.744 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.967 -6.005 -7.019 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.268 -5.206 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.071 -6.470 -8.202 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.227 -6.079 -7.077 1.00 0.00 H new ATOM 1490 N HIS A 94 6.705 -6.882 -2.673 1.00 0.00 N ATOM 1491 CA HIS A 94 7.702 -7.946 -2.650 1.00 0.00 C ATOM 1492 C HIS A 94 7.207 -9.108 -1.812 1.00 0.00 C ATOM 1493 O HIS A 94 6.976 -10.203 -2.323 1.00 0.00 O ATOM 1494 CB HIS A 94 9.031 -7.422 -2.097 1.00 0.00 C ATOM 1495 CG HIS A 94 10.191 -7.652 -3.015 1.00 0.00 C ATOM 1496 ND1 HIS A 94 11.024 -6.641 -3.445 1.00 0.00 N ATOM 1497 CD2 HIS A 94 10.659 -8.789 -3.584 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.950 -7.144 -4.241 1.00 0.00 C ATOM 1499 NE2 HIS A 94 11.752 -8.445 -4.341 1.00 0.00 N ATOM 0 H HIS A 94 7.019 -6.004 -2.261 1.00 0.00 H new ATOM 0 HA HIS A 94 7.864 -8.293 -3.671 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.938 -6.354 -1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.233 -7.904 -1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.249 -9.781 -3.465 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.736 -6.585 -4.728 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.319 -9.090 -4.891 1.00 0.00 H new ATOM 1508 N HIS A 95 7.019 -8.854 -0.524 1.00 0.00 N ATOM 1509 CA HIS A 95 6.518 -9.875 0.379 1.00 0.00 C ATOM 1510 C HIS A 95 5.101 -10.277 -0.017 1.00 0.00 C ATOM 1511 O HIS A 95 4.565 -11.264 0.485 1.00 0.00 O ATOM 1512 CB HIS A 95 6.540 -9.370 1.823 1.00 0.00 C ATOM 1513 CG HIS A 95 7.817 -9.673 2.542 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.932 -8.864 2.472 1.00 0.00 N ATOM 1515 CD2 HIS A 95 8.155 -10.704 3.354 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.900 -9.385 3.205 1.00 0.00 C ATOM 1517 NE2 HIS A 95 9.454 -10.501 3.751 1.00 0.00 N ATOM 0 H HIS A 95 7.206 -7.953 -0.085 1.00 0.00 H new ATOM 0 HA HIS A 95 7.165 -10.749 0.308 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.378 -8.292 1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.710 -9.818 2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.521 -11.531 3.636 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.888 -8.969 3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.988 -11.113 4.368 1.00 0.00 H new ATOM 1526 N LEU A 96 4.497 -9.513 -0.932 1.00 0.00 N ATOM 1527 CA LEU A 96 3.146 -9.808 -1.393 1.00 0.00 C ATOM 1528 C LEU A 96 3.195 -10.763 -2.572 1.00 0.00 C ATOM 1529 O LEU A 96 2.601 -11.841 -2.542 1.00 0.00 O ATOM 1530 CB LEU A 96 2.432 -8.519 -1.788 1.00 0.00 C ATOM 1531 CG LEU A 96 1.932 -7.687 -0.615 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.236 -6.432 -1.117 1.00 0.00 C ATOM 1533 CD2 LEU A 96 0.997 -8.494 0.273 1.00 0.00 C ATOM 0 H LEU A 96 4.922 -8.692 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 96 2.592 -10.280 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.112 -7.911 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.585 -8.769 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 96 2.795 -7.395 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.884 -5.847 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.937 -5.837 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.388 -6.712 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.656 -7.873 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.137 -8.825 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.526 -9.363 0.664 1.00 0.00 H new ATOM 1545 N GLU A 97 3.932 -10.368 -3.601 1.00 0.00 N ATOM 1546 CA GLU A 97 4.090 -11.194 -4.782 1.00 0.00 C ATOM 1547 C GLU A 97 5.001 -12.377 -4.471 1.00 0.00 C ATOM 1548 O GLU A 97 5.152 -13.286 -5.286 1.00 0.00 O ATOM 1549 CB GLU A 97 4.670 -10.369 -5.935 1.00 0.00 C ATOM 1550 CG GLU A 97 3.801 -10.370 -7.182 1.00 0.00 C ATOM 1551 CD GLU A 97 2.837 -9.200 -7.220 1.00 0.00 C ATOM 1552 OE1 GLU A 97 3.054 -8.224 -6.471 1.00 0.00 O ATOM 1553 OE2 GLU A 97 1.864 -9.258 -8.002 1.00 0.00 O ATOM 0 H GLU A 97 4.429 -9.478 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 97 3.112 -11.569 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.810 -9.341 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.656 -10.758 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.439 -10.340 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.238 -11.302 -7.228 1.00 0.00 H new ATOM 1560 N GLU A 98 5.603 -12.360 -3.280 1.00 0.00 N ATOM 1561 CA GLU A 98 6.494 -13.438 -2.865 1.00 0.00 C ATOM 1562 C GLU A 98 5.721 -14.522 -2.121 1.00 0.00 C ATOM 1563 O GLU A 98 6.135 -15.681 -2.088 1.00 0.00 O ATOM 1564 CB GLU A 98 7.614 -12.893 -1.975 1.00 0.00 C ATOM 1565 CG GLU A 98 8.747 -12.244 -2.752 1.00 0.00 C ATOM 1566 CD GLU A 98 9.849 -13.224 -3.103 1.00 0.00 C ATOM 1567 OE1 GLU A 98 10.149 -14.104 -2.268 1.00 0.00 O ATOM 1568 OE2 GLU A 98 10.413 -13.112 -4.211 1.00 0.00 O ATOM 0 H GLU A 98 5.489 -11.616 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 98 6.934 -13.876 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.194 -12.163 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.017 -13.707 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.350 -11.806 -3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.166 -11.428 -2.163 1.00 0.00 H new ATOM 1575 N LEU A 99 4.597 -14.135 -1.523 1.00 0.00 N ATOM 1576 CA LEU A 99 3.765 -15.070 -0.777 1.00 0.00 C ATOM 1577 C LEU A 99 3.071 -16.057 -1.712 1.00 0.00 C ATOM 1578 O LEU A 99 3.155 -17.270 -1.522 1.00 0.00 O ATOM 1579 CB LEU A 99 2.719 -14.308 0.040 1.00 0.00 C ATOM 1580 CG LEU A 99 1.915 -15.161 1.021 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.741 -15.474 2.258 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.625 -14.453 1.405 1.00 0.00 C ATOM 0 H LEU A 99 4.243 -13.179 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 99 4.412 -15.632 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.221 -13.517 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.026 -13.823 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 99 1.661 -16.102 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.152 -16.082 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.638 -16.021 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.026 -14.544 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.064 -15.073 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.860 -13.498 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.025 -14.280 0.511 1.00 0.00 H new ATOM 1594 N VAL A 100 2.382 -15.530 -2.717 1.00 0.00 N ATOM 1595 CA VAL A 100 1.669 -16.368 -3.675 1.00 0.00 C ATOM 1596 C VAL A 100 2.636 -17.138 -4.570 1.00 0.00 C ATOM 1597 O VAL A 100 2.312 -18.221 -5.058 1.00 0.00 O ATOM 1598 CB VAL A 100 0.722 -15.532 -4.555 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.119 -16.434 -5.447 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.166 -14.652 -3.690 1.00 0.00 C ATOM 0 H VAL A 100 2.302 -14.528 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 100 1.081 -17.078 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 100 1.325 -14.888 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.781 -15.823 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.535 -17.020 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.714 -17.105 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.830 -14.067 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.760 -15.278 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.454 -13.979 -3.098 1.00 0.00 H new ATOM 1610 N HIS A 101 3.821 -16.576 -4.785 1.00 0.00 N ATOM 1611 CA HIS A 101 4.826 -17.218 -5.625 1.00 0.00 C ATOM 1612 C HIS A 101 5.523 -18.349 -4.875 1.00 0.00 C ATOM 1613 O HIS A 101 5.821 -19.396 -5.450 1.00 0.00 O ATOM 1614 CB HIS A 101 5.859 -16.192 -6.097 1.00 0.00 C ATOM 1615 CG HIS A 101 5.576 -15.646 -7.462 1.00 0.00 C ATOM 1616 ND1 HIS A 101 6.532 -15.563 -8.453 1.00 0.00 N ATOM 1617 CD2 HIS A 101 4.435 -15.154 -8.000 1.00 0.00 C ATOM 1618 CE1 HIS A 101 5.992 -15.043 -9.541 1.00 0.00 C ATOM 1619 NE2 HIS A 101 4.721 -14.787 -9.292 1.00 0.00 N ATOM 0 H HIS A 101 4.108 -15.680 -4.391 1.00 0.00 H new ATOM 0 HA HIS A 101 4.320 -17.640 -6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.893 -15.368 -5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.846 -16.655 -6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 101 3.479 -15.067 -7.506 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.503 -14.859 -10.474 1.00 0.00 H new ATOM 0 HE2 HIS A 101 4.058 -14.382 -9.953 1.00 0.00 H new ATOM 1628 N ARG A 102 5.780 -18.133 -3.589 1.00 0.00 N ATOM 1629 CA ARG A 102 6.444 -19.136 -2.765 1.00 0.00 C ATOM 1630 C ARG A 102 5.511 -20.309 -2.475 1.00 0.00 C ATOM 1631 O ARG A 102 4.287 -20.080 -2.380 1.00 0.00 O ATOM 1632 CB ARG A 102 6.932 -18.510 -1.454 1.00 0.00 C ATOM 1633 CG ARG A 102 5.817 -18.167 -0.479 1.00 0.00 C ATOM 1634 CD ARG A 102 6.367 -17.850 0.902 1.00 0.00 C ATOM 1635 NE ARG A 102 7.229 -16.670 0.888 1.00 0.00 N ATOM 1636 CZ ARG A 102 8.185 -16.437 1.786 1.00 0.00 C ATOM 1637 NH1 ARG A 102 8.403 -17.294 2.775 1.00 0.00 N ATOM 1638 NH2 ARG A 102 8.926 -15.340 1.693 1.00 0.00 N ATOM 1639 OXT ARG A 102 6.013 -21.445 -2.345 1.00 0.00 O ATOM 0 H ARG A 102 5.539 -17.273 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 102 7.305 -19.513 -3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.624 -19.199 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 102 7.492 -17.603 -1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 102 5.254 -17.312 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 102 5.120 -19.003 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 102 5.540 -17.687 1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.930 -18.706 1.274 1.00 0.00 H new ATOM 0 HE ARG A 102 7.090 -15.984 0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.837 -18.139 2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.137 -17.108 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.763 -14.677 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.659 -15.160 2.380 1.00 0.00 H new