USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 15 ASN : amide:sc= -6.23! C(o=-6.4!,f=-9.1!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -123:sc= -0.189 (180deg=-1.77!) USER MOD Single : A 1 ALA N :NH3+ -171:sc= 0 (180deg=-0.0868) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.695 F(o=-1.5,f=-0.7) USER MOD Single : A 24 ASN : amide:sc= -1.34! C(o=-1.3!,f=-5.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -130:sc= -0.66 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0341 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= -0.988 (180deg=-3.14!) USER MOD Single : A 59 LYS NZ :NH3+ -145:sc= -0.437 (180deg=-1.67!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.008 4.408 -10.380 1.00 0.00 N ATOM 2 CA ALA A 1 -14.758 3.245 -9.835 1.00 0.00 C ATOM 3 C ALA A 1 -13.861 2.377 -8.960 1.00 0.00 C ATOM 4 O ALA A 1 -14.282 1.890 -7.911 1.00 0.00 O ATOM 5 CB ALA A 1 -15.347 2.420 -10.969 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.671 5.062 -10.843 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.520 4.901 -9.605 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.308 4.076 -11.073 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.570 3.625 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.893 1.572 -10.556 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.027 3.039 -11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.544 2.057 -11.610 1.00 0.00 H new ATOM 13 N LEU A 2 -12.623 2.187 -9.401 1.00 0.00 N ATOM 14 CA LEU A 2 -11.663 1.378 -8.661 1.00 0.00 C ATOM 15 C LEU A 2 -10.335 2.110 -8.513 1.00 0.00 C ATOM 16 O LEU A 2 -10.191 3.250 -8.953 1.00 0.00 O ATOM 17 CB LEU A 2 -11.447 0.035 -9.361 1.00 0.00 C ATOM 18 CG LEU A 2 -12.627 -0.935 -9.275 1.00 0.00 C ATOM 19 CD1 LEU A 2 -12.989 -1.461 -10.654 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.302 -2.085 -8.332 1.00 0.00 C ATOM 0 H LEU A 2 -12.260 2.583 -10.268 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.069 1.197 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.225 0.221 -10.412 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.569 -0.445 -8.930 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.487 -0.396 -8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.830 -2.149 -10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.264 -0.628 -11.301 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.133 -1.984 -11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.152 -2.766 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.428 -2.622 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.093 -1.692 -7.337 1.00 0.00 H new ATOM 32 N VAL A 3 -9.373 1.449 -7.882 1.00 0.00 N ATOM 33 CA VAL A 3 -8.059 2.041 -7.665 1.00 0.00 C ATOM 34 C VAL A 3 -6.973 0.969 -7.562 1.00 0.00 C ATOM 35 O VAL A 3 -7.255 -0.200 -7.304 1.00 0.00 O ATOM 36 CB VAL A 3 -8.058 2.910 -6.380 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.642 3.246 -5.923 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.863 4.181 -6.605 1.00 0.00 C ATOM 0 H VAL A 3 -9.477 0.504 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.839 2.672 -8.526 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.526 2.328 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.686 3.856 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.099 2.324 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.127 3.798 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.855 4.783 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.421 4.752 -7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.891 3.921 -6.859 1.00 0.00 H new ATOM 48 N GLU A 4 -5.729 1.394 -7.757 1.00 0.00 N ATOM 49 CA GLU A 4 -4.580 0.501 -7.680 1.00 0.00 C ATOM 50 C GLU A 4 -3.462 1.157 -6.874 1.00 0.00 C ATOM 51 O GLU A 4 -2.627 1.876 -7.423 1.00 0.00 O ATOM 52 CB GLU A 4 -4.067 0.133 -9.082 1.00 0.00 C ATOM 53 CG GLU A 4 -4.584 1.032 -10.197 1.00 0.00 C ATOM 54 CD GLU A 4 -4.181 0.541 -11.574 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.791 -0.436 -12.059 1.00 0.00 O ATOM 56 OE2 GLU A 4 -3.256 1.133 -12.168 1.00 0.00 O ATOM 0 H GLU A 4 -5.490 2.362 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.897 -0.415 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.978 0.169 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.351 -0.896 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.671 1.089 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.204 2.043 -10.050 1.00 0.00 H new ATOM 63 N LEU A 5 -3.457 0.910 -5.568 1.00 0.00 N ATOM 64 CA LEU A 5 -2.446 1.483 -4.686 1.00 0.00 C ATOM 65 C LEU A 5 -1.045 1.183 -5.201 1.00 0.00 C ATOM 66 O LEU A 5 -0.870 0.386 -6.123 1.00 0.00 O ATOM 67 CB LEU A 5 -2.606 0.946 -3.259 1.00 0.00 C ATOM 68 CG LEU A 5 -2.923 2.002 -2.199 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.781 2.997 -2.077 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.223 2.718 -2.534 1.00 0.00 C ATOM 0 H LEU A 5 -4.141 0.318 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.587 2.564 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.401 0.200 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.687 0.434 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.043 1.501 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.025 3.740 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.870 2.472 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.627 3.494 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.434 3.466 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.130 3.206 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.038 1.995 -2.569 1.00 0.00 H new ATOM 82 N LYS A 6 -0.051 1.828 -4.605 1.00 0.00 N ATOM 83 CA LYS A 6 1.333 1.632 -5.009 1.00 0.00 C ATOM 84 C LYS A 6 2.293 2.024 -3.892 1.00 0.00 C ATOM 85 O LYS A 6 1.927 2.748 -2.968 1.00 0.00 O ATOM 86 CB LYS A 6 1.634 2.451 -6.263 1.00 0.00 C ATOM 87 CG LYS A 6 1.192 1.777 -7.550 1.00 0.00 C ATOM 88 CD LYS A 6 -0.009 2.480 -8.162 1.00 0.00 C ATOM 89 CE LYS A 6 0.413 3.512 -9.194 1.00 0.00 C ATOM 90 NZ LYS A 6 -0.596 3.658 -10.280 1.00 0.00 N ATOM 0 H LYS A 6 -0.178 2.491 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 6 1.475 0.573 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.140 3.419 -6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.706 2.643 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.016 1.775 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.942 0.735 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.663 1.744 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.587 2.966 -7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.561 4.475 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.371 3.223 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.270 4.371 -10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.719 2.746 -10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.504 3.959 -9.872 1.00 0.00 H new ATOM 104 N VAL A 7 3.525 1.545 -3.996 1.00 0.00 N ATOM 105 CA VAL A 7 4.551 1.844 -3.008 1.00 0.00 C ATOM 106 C VAL A 7 4.661 3.353 -2.799 1.00 0.00 C ATOM 107 O VAL A 7 4.570 4.123 -3.755 1.00 0.00 O ATOM 108 CB VAL A 7 5.916 1.274 -3.446 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.999 1.602 -2.432 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.812 -0.230 -3.662 1.00 0.00 C ATOM 0 H VAL A 7 3.839 0.945 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 7 4.264 1.374 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 7 6.196 1.743 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.949 1.187 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.090 2.684 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.736 1.170 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.781 -0.621 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.506 -0.711 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.074 -0.436 -4.437 1.00 0.00 H new ATOM 120 N PRO A 8 4.842 3.802 -1.545 1.00 0.00 N ATOM 121 CA PRO A 8 4.942 5.229 -1.237 1.00 0.00 C ATOM 122 C PRO A 8 6.231 5.856 -1.744 1.00 0.00 C ATOM 123 O PRO A 8 6.966 5.258 -2.529 1.00 0.00 O ATOM 124 CB PRO A 8 4.896 5.281 0.290 1.00 0.00 C ATOM 125 CG PRO A 8 5.354 3.934 0.741 1.00 0.00 C ATOM 126 CD PRO A 8 4.950 2.962 -0.338 1.00 0.00 C ATOM 0 HA PRO A 8 4.144 5.792 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.544 6.067 0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.888 5.494 0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.434 3.921 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.897 3.668 1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.692 2.173 -0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.004 2.475 -0.104 1.00 0.00 H new ATOM 134 N ASP A 9 6.487 7.073 -1.286 1.00 0.00 N ATOM 135 CA ASP A 9 7.677 7.812 -1.678 1.00 0.00 C ATOM 136 C ASP A 9 8.779 7.654 -0.636 1.00 0.00 C ATOM 137 O ASP A 9 9.233 8.632 -0.044 1.00 0.00 O ATOM 138 CB ASP A 9 7.327 9.288 -1.846 1.00 0.00 C ATOM 139 CG ASP A 9 7.164 9.685 -3.299 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.255 8.795 -4.172 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.946 10.885 -3.566 1.00 0.00 O ATOM 0 H ASP A 9 5.880 7.573 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 9 8.042 7.413 -2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.403 9.502 -1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.109 9.897 -1.392 1.00 0.00 H new ATOM 146 N ILE A 10 9.204 6.414 -0.412 1.00 0.00 N ATOM 147 CA ILE A 10 10.249 6.131 0.567 1.00 0.00 C ATOM 148 C ILE A 10 11.441 7.073 0.405 1.00 0.00 C ATOM 149 O ILE A 10 12.185 7.312 1.357 1.00 0.00 O ATOM 150 CB ILE A 10 10.747 4.667 0.493 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.627 4.101 -0.927 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.972 3.797 1.475 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.207 4.999 -1.998 1.00 0.00 C ATOM 0 H ILE A 10 8.842 5.591 -0.894 1.00 0.00 H new ATOM 0 HA ILE A 10 9.792 6.291 1.544 1.00 0.00 H new ATOM 0 HB ILE A 10 11.803 4.661 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.130 3.135 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.575 3.922 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.332 2.770 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.118 4.173 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.911 3.825 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.083 4.529 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.688 5.958 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.268 5.158 -1.804 1.00 0.00 H new ATOM 165 N GLY A 11 11.619 7.610 -0.799 1.00 0.00 N ATOM 166 CA GLY A 11 12.722 8.521 -1.046 1.00 0.00 C ATOM 167 C GLY A 11 14.068 7.825 -1.008 1.00 0.00 C ATOM 168 O GLY A 11 14.948 8.204 -0.235 1.00 0.00 O ATOM 0 H GLY A 11 11.021 7.431 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.588 8.993 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.706 9.316 -0.301 1.00 0.00 H new ATOM 172 N GLY A 12 14.228 6.807 -1.844 1.00 0.00 N ATOM 173 CA GLY A 12 15.479 6.074 -1.888 1.00 0.00 C ATOM 174 C GLY A 12 15.793 5.550 -3.274 1.00 0.00 C ATOM 175 O GLY A 12 16.704 6.042 -3.940 1.00 0.00 O ATOM 0 H GLY A 12 13.514 6.476 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.289 6.723 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.433 5.239 -1.189 1.00 0.00 H new ATOM 179 N HIS A 13 15.037 4.548 -3.711 1.00 0.00 N ATOM 180 CA HIS A 13 15.237 3.953 -5.027 1.00 0.00 C ATOM 181 C HIS A 13 14.360 2.719 -5.203 1.00 0.00 C ATOM 182 O HIS A 13 13.567 2.380 -4.324 1.00 0.00 O ATOM 183 CB HIS A 13 16.707 3.577 -5.221 1.00 0.00 C ATOM 184 CG HIS A 13 17.287 2.815 -4.070 1.00 0.00 C ATOM 185 ND1 HIS A 13 16.742 2.452 -2.884 1.00 0.00 N flip ATOM 186 CD2 HIS A 13 18.578 2.332 -4.060 1.00 0.00 C flip ATOM 187 CE1 HIS A 13 17.705 1.763 -2.188 1.00 0.00 C flip ATOM 188 NE2 HIS A 13 18.803 1.704 -2.918 1.00 0.00 N flip ATOM 0 H HIS A 13 14.279 4.130 -3.171 1.00 0.00 H new ATOM 0 HA HIS A 13 14.954 4.690 -5.779 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.804 2.980 -6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.289 4.486 -5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 13 19.294 2.448 -4.860 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.583 1.338 -1.203 1.00 0.00 H new ATOM 0 HE2 HIS A 13 19.676 1.251 -2.648 1.00 0.00 H new ATOM 197 N GLU A 14 14.509 2.050 -6.341 1.00 0.00 N ATOM 198 CA GLU A 14 13.730 0.852 -6.627 1.00 0.00 C ATOM 199 C GLU A 14 14.155 -0.296 -5.717 1.00 0.00 C ATOM 200 O GLU A 14 15.137 -0.185 -4.983 1.00 0.00 O ATOM 201 CB GLU A 14 13.895 0.447 -8.093 1.00 0.00 C ATOM 202 CG GLU A 14 15.342 0.227 -8.505 1.00 0.00 C ATOM 203 CD GLU A 14 15.859 1.317 -9.423 1.00 0.00 C ATOM 204 OE1 GLU A 14 15.782 2.504 -9.040 1.00 0.00 O ATOM 205 OE2 GLU A 14 16.342 0.984 -10.526 1.00 0.00 O ATOM 0 H GLU A 14 15.161 2.317 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 14 12.680 1.075 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.331 -0.468 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.459 1.220 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.967 0.182 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.431 -0.737 -9.006 1.00 0.00 H new ATOM 212 N ASN A 15 13.410 -1.399 -5.769 1.00 0.00 N ATOM 213 CA ASN A 15 13.707 -2.571 -4.947 1.00 0.00 C ATOM 214 C ASN A 15 14.075 -2.167 -3.521 1.00 0.00 C ATOM 215 O ASN A 15 15.241 -1.916 -3.217 1.00 0.00 O ATOM 216 CB ASN A 15 14.848 -3.380 -5.570 1.00 0.00 C ATOM 217 CG ASN A 15 16.052 -2.522 -5.903 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.123 -1.920 -6.976 1.00 0.00 O ATOM 219 ND2 ASN A 15 17.009 -2.461 -4.984 1.00 0.00 N ATOM 0 H ASN A 15 12.595 -1.506 -6.373 1.00 0.00 H new ATOM 0 HA ASN A 15 12.809 -3.188 -4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.148 -4.170 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.491 -3.867 -6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.844 -1.900 -5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.909 -2.976 -4.109 1.00 0.00 H new ATOM 226 N VAL A 16 13.071 -2.102 -2.650 1.00 0.00 N ATOM 227 CA VAL A 16 13.295 -1.725 -1.260 1.00 0.00 C ATOM 228 C VAL A 16 12.684 -2.759 -0.314 1.00 0.00 C ATOM 229 O VAL A 16 12.535 -3.921 -0.680 1.00 0.00 O ATOM 230 CB VAL A 16 12.719 -0.322 -0.966 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.221 0.681 -1.993 1.00 0.00 C ATOM 232 CG2 VAL A 16 11.198 -0.350 -0.939 1.00 0.00 C ATOM 0 H VAL A 16 12.099 -2.305 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 16 14.372 -1.694 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 16 13.064 -0.011 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.807 1.665 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.309 0.728 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.907 0.370 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.819 0.651 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.823 -0.685 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.860 -1.035 -0.162 1.00 0.00 H new ATOM 242 N ASP A 17 12.340 -2.345 0.902 1.00 0.00 N ATOM 243 CA ASP A 17 11.757 -3.263 1.871 1.00 0.00 C ATOM 244 C ASP A 17 10.640 -2.600 2.669 1.00 0.00 C ATOM 245 O ASP A 17 10.858 -1.595 3.350 1.00 0.00 O ATOM 246 CB ASP A 17 12.837 -3.780 2.824 1.00 0.00 C ATOM 247 CG ASP A 17 14.025 -4.366 2.086 1.00 0.00 C ATOM 248 OD1 ASP A 17 13.842 -5.375 1.372 1.00 0.00 O ATOM 249 OD2 ASP A 17 15.139 -3.817 2.223 1.00 0.00 O ATOM 0 H ASP A 17 12.454 -1.388 1.236 1.00 0.00 H new ATOM 0 HA ASP A 17 11.328 -4.099 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.176 -2.964 3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.408 -4.539 3.478 1.00 0.00 H new ATOM 254 N ILE A 18 9.445 -3.179 2.593 1.00 0.00 N ATOM 255 CA ILE A 18 8.301 -2.661 3.321 1.00 0.00 C ATOM 256 C ILE A 18 8.541 -2.790 4.819 1.00 0.00 C ATOM 257 O ILE A 18 9.433 -3.523 5.245 1.00 0.00 O ATOM 258 CB ILE A 18 7.015 -3.413 2.918 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.672 -3.100 1.466 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.852 -3.049 3.829 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.954 -4.225 0.756 1.00 0.00 C ATOM 0 H ILE A 18 9.248 -4.008 2.033 1.00 0.00 H new ATOM 0 HA ILE A 18 8.174 -1.608 3.070 1.00 0.00 H new ATOM 0 HB ILE A 18 7.194 -4.483 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.050 -2.206 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.590 -2.869 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.962 -3.596 3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.099 -3.312 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.661 -1.978 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.743 -3.930 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.583 -5.115 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.018 -4.442 1.271 1.00 0.00 H new ATOM 273 N ILE A 19 7.760 -2.077 5.620 1.00 0.00 N ATOM 274 CA ILE A 19 7.943 -2.142 7.072 1.00 0.00 C ATOM 275 C ILE A 19 6.636 -2.476 7.803 1.00 0.00 C ATOM 276 O ILE A 19 6.653 -2.788 8.994 1.00 0.00 O ATOM 277 CB ILE A 19 8.611 -0.839 7.662 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.709 -0.124 8.683 1.00 0.00 C ATOM 279 CG2 ILE A 19 9.028 0.144 6.568 1.00 0.00 C ATOM 280 CD1 ILE A 19 8.301 1.156 9.226 1.00 0.00 C ATOM 0 H ILE A 19 7.011 -1.461 5.304 1.00 0.00 H new ATOM 0 HA ILE A 19 8.639 -2.962 7.249 1.00 0.00 H new ATOM 0 HB ILE A 19 9.507 -1.182 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.751 0.100 8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.507 -0.801 9.513 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.482 1.024 7.023 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.749 -0.334 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.151 0.444 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.609 1.603 9.939 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.245 0.937 9.725 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.477 1.852 8.406 1.00 0.00 H new ATOM 292 N ALA A 20 5.510 -2.407 7.102 1.00 0.00 N ATOM 293 CA ALA A 20 4.226 -2.702 7.719 1.00 0.00 C ATOM 294 C ALA A 20 3.219 -3.220 6.699 1.00 0.00 C ATOM 295 O ALA A 20 3.390 -3.041 5.494 1.00 0.00 O ATOM 296 CB ALA A 20 3.688 -1.462 8.413 1.00 0.00 C ATOM 0 H ALA A 20 5.461 -2.152 6.116 1.00 0.00 H new ATOM 0 HA ALA A 20 4.379 -3.489 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.726 -1.691 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.391 -1.142 9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.560 -0.663 7.683 1.00 0.00 H new ATOM 302 N VAL A 21 2.166 -3.862 7.196 1.00 0.00 N ATOM 303 CA VAL A 21 1.125 -4.406 6.334 1.00 0.00 C ATOM 304 C VAL A 21 -0.240 -4.334 7.011 1.00 0.00 C ATOM 305 O VAL A 21 -0.384 -4.701 8.177 1.00 0.00 O ATOM 306 CB VAL A 21 1.417 -5.868 5.950 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.430 -6.753 7.186 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.398 -6.367 4.937 1.00 0.00 C ATOM 0 H VAL A 21 2.012 -4.018 8.192 1.00 0.00 H new ATOM 0 HA VAL A 21 1.114 -3.797 5.430 1.00 0.00 H new ATOM 0 HB VAL A 21 2.404 -5.914 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.638 -7.782 6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.203 -6.407 7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.459 -6.705 7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.620 -7.402 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.602 -6.307 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.445 -5.750 4.040 1.00 0.00 H new ATOM 318 N GLU A 22 -1.238 -3.860 6.272 1.00 0.00 N ATOM 319 CA GLU A 22 -2.591 -3.741 6.805 1.00 0.00 C ATOM 320 C GLU A 22 -3.609 -3.624 5.676 1.00 0.00 C ATOM 321 O GLU A 22 -4.134 -2.544 5.409 1.00 0.00 O ATOM 322 CB GLU A 22 -2.696 -2.525 7.725 1.00 0.00 C ATOM 323 CG GLU A 22 -1.979 -2.702 9.054 1.00 0.00 C ATOM 324 CD GLU A 22 -2.311 -1.603 10.045 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.479 -1.164 10.075 1.00 0.00 O ATOM 326 OE2 GLU A 22 -1.402 -1.183 10.792 1.00 0.00 O ATOM 0 H GLU A 22 -1.136 -3.553 5.305 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.808 -4.642 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.284 -1.656 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.748 -2.314 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.249 -3.667 9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.903 -2.719 8.883 1.00 0.00 H new ATOM 333 N VAL A 23 -3.880 -4.744 5.016 1.00 0.00 N ATOM 334 CA VAL A 23 -4.833 -4.767 3.916 1.00 0.00 C ATOM 335 C VAL A 23 -5.534 -6.112 3.823 1.00 0.00 C ATOM 336 O VAL A 23 -4.911 -7.133 3.530 1.00 0.00 O ATOM 337 CB VAL A 23 -4.148 -4.462 2.574 1.00 0.00 C ATOM 338 CG1 VAL A 23 -3.940 -2.965 2.409 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.826 -5.206 2.468 1.00 0.00 C ATOM 0 H VAL A 23 -3.453 -5.647 5.224 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.571 -3.992 4.122 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.797 -4.806 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.454 -2.768 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.905 -2.458 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.312 -2.593 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.356 -4.978 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.168 -4.895 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.006 -6.279 2.537 1.00 0.00 H new ATOM 349 N ASN A 24 -6.837 -6.102 4.066 1.00 0.00 N ATOM 350 CA ASN A 24 -7.632 -7.318 4.005 1.00 0.00 C ATOM 351 C ASN A 24 -8.674 -7.219 2.903 1.00 0.00 C ATOM 352 O ASN A 24 -9.756 -6.665 3.096 1.00 0.00 O ATOM 353 CB ASN A 24 -8.317 -7.588 5.340 1.00 0.00 C ATOM 354 CG ASN A 24 -7.382 -7.405 6.520 1.00 0.00 C ATOM 355 OD1 ASN A 24 -6.589 -6.464 6.559 1.00 0.00 O ATOM 356 ND2 ASN A 24 -7.471 -8.307 7.490 1.00 0.00 N ATOM 0 H ASN A 24 -7.366 -5.264 4.307 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.959 -8.147 3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.170 -6.918 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.708 -8.605 5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.867 -8.236 8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.143 -9.071 7.416 1.00 0.00 H new ATOM 363 N VAL A 25 -8.334 -7.763 1.745 1.00 0.00 N ATOM 364 CA VAL A 25 -9.220 -7.753 0.590 1.00 0.00 C ATOM 365 C VAL A 25 -10.656 -8.090 0.982 1.00 0.00 C ATOM 366 O VAL A 25 -10.961 -9.225 1.350 1.00 0.00 O ATOM 367 CB VAL A 25 -8.742 -8.750 -0.477 1.00 0.00 C ATOM 368 CG1 VAL A 25 -7.360 -8.368 -0.987 1.00 0.00 C ATOM 369 CG2 VAL A 25 -8.742 -10.167 0.078 1.00 0.00 C ATOM 0 H VAL A 25 -7.439 -8.223 1.579 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.196 -6.743 0.180 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.435 -8.714 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.039 -9.086 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.397 -7.371 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.652 -8.372 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.401 -10.859 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.073 -10.221 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.752 -10.437 0.387 1.00 0.00 H new ATOM 379 N GLY A 26 -11.534 -7.095 0.901 1.00 0.00 N ATOM 380 CA GLY A 26 -12.926 -7.303 1.251 1.00 0.00 C ATOM 381 C GLY A 26 -13.377 -6.426 2.405 1.00 0.00 C ATOM 382 O GLY A 26 -14.404 -6.693 3.029 1.00 0.00 O ATOM 0 H GLY A 26 -11.305 -6.148 0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.550 -7.100 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.078 -8.350 1.515 1.00 0.00 H new ATOM 386 N ASP A 27 -12.610 -5.377 2.691 1.00 0.00 N ATOM 387 CA ASP A 27 -12.941 -4.461 3.777 1.00 0.00 C ATOM 388 C ASP A 27 -13.128 -3.041 3.250 1.00 0.00 C ATOM 389 O ASP A 27 -12.510 -2.649 2.261 1.00 0.00 O ATOM 390 CB ASP A 27 -11.843 -4.480 4.842 1.00 0.00 C ATOM 391 CG ASP A 27 -12.315 -5.092 6.147 1.00 0.00 C ATOM 392 OD1 ASP A 27 -13.525 -5.002 6.442 1.00 0.00 O ATOM 393 OD2 ASP A 27 -11.473 -5.663 6.874 1.00 0.00 O ATOM 0 H ASP A 27 -11.756 -5.141 2.186 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.878 -4.792 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.988 -5.043 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.500 -3.462 5.024 1.00 0.00 H new ATOM 398 N THR A 28 -13.986 -2.275 3.918 1.00 0.00 N ATOM 399 CA THR A 28 -14.256 -0.899 3.514 1.00 0.00 C ATOM 400 C THR A 28 -13.125 0.031 3.944 1.00 0.00 C ATOM 401 O THR A 28 -12.545 -0.134 5.018 1.00 0.00 O ATOM 402 CB THR A 28 -15.579 -0.422 4.114 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.587 -1.404 3.952 1.00 0.00 O ATOM 404 CG2 THR A 28 -16.088 0.863 3.497 1.00 0.00 C ATOM 0 H THR A 28 -14.505 -2.583 4.740 1.00 0.00 H new ATOM 0 HA THR A 28 -14.326 -0.874 2.427 1.00 0.00 H new ATOM 0 HB THR A 28 -15.368 -0.242 5.168 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.425 -1.080 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.030 1.145 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.355 1.655 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.247 0.716 2.429 1.00 0.00 H new ATOM 412 N ILE A 29 -12.816 1.010 3.097 1.00 0.00 N ATOM 413 CA ILE A 29 -11.755 1.967 3.389 1.00 0.00 C ATOM 414 C ILE A 29 -12.120 3.362 2.893 1.00 0.00 C ATOM 415 O ILE A 29 -13.058 3.528 2.113 1.00 0.00 O ATOM 416 CB ILE A 29 -10.421 1.544 2.749 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.587 1.375 1.240 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.911 0.258 3.382 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.351 2.650 0.462 1.00 0.00 C ATOM 0 H ILE A 29 -13.286 1.160 2.204 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.640 1.986 4.473 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.685 2.327 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.893 0.611 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.593 1.012 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.967 -0.027 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.758 0.414 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.643 -0.536 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.485 2.457 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.062 3.410 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.335 3.003 0.641 1.00 0.00 H new ATOM 431 N ALA A 30 -11.372 4.362 3.350 1.00 0.00 N ATOM 432 CA ALA A 30 -11.619 5.741 2.952 1.00 0.00 C ATOM 433 C ALA A 30 -10.349 6.403 2.424 1.00 0.00 C ATOM 434 O ALA A 30 -9.330 5.743 2.212 1.00 0.00 O ATOM 435 CB ALA A 30 -12.179 6.534 4.123 1.00 0.00 C ATOM 0 H ALA A 30 -10.591 4.242 3.995 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.352 5.732 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.359 7.563 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.116 6.085 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.463 6.523 4.945 1.00 0.00 H new ATOM 441 N VAL A 31 -10.421 7.711 2.203 1.00 0.00 N ATOM 442 CA VAL A 31 -9.282 8.463 1.693 1.00 0.00 C ATOM 443 C VAL A 31 -8.425 9.004 2.833 1.00 0.00 C ATOM 444 O VAL A 31 -8.000 10.160 2.807 1.00 0.00 O ATOM 445 CB VAL A 31 -9.735 9.640 0.809 1.00 0.00 C ATOM 446 CG1 VAL A 31 -8.563 10.198 0.018 1.00 0.00 C ATOM 447 CG2 VAL A 31 -10.859 9.209 -0.121 1.00 0.00 C ATOM 0 H VAL A 31 -11.257 8.272 2.369 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.692 7.771 1.092 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.114 10.430 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.904 11.029 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.794 10.549 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.150 9.417 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.165 10.054 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.510 8.400 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.708 8.864 0.470 1.00 0.00 H new ATOM 457 N ASP A 32 -8.173 8.164 3.834 1.00 0.00 N ATOM 458 CA ASP A 32 -7.365 8.568 4.979 1.00 0.00 C ATOM 459 C ASP A 32 -7.260 7.442 6.004 1.00 0.00 C ATOM 460 O ASP A 32 -7.789 7.546 7.111 1.00 0.00 O ATOM 461 CB ASP A 32 -7.959 9.816 5.633 1.00 0.00 C ATOM 462 CG ASP A 32 -9.465 9.728 5.786 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.977 8.608 5.996 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.133 10.780 5.693 1.00 0.00 O ATOM 0 H ASP A 32 -8.515 7.204 3.875 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.362 8.796 4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.505 9.960 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.708 10.691 5.034 1.00 0.00 H new ATOM 469 N ASP A 33 -6.566 6.371 5.633 1.00 0.00 N ATOM 470 CA ASP A 33 -6.383 5.231 6.524 1.00 0.00 C ATOM 471 C ASP A 33 -5.072 4.519 6.212 1.00 0.00 C ATOM 472 O ASP A 33 -4.948 3.846 5.190 1.00 0.00 O ATOM 473 CB ASP A 33 -7.556 4.254 6.402 1.00 0.00 C ATOM 474 CG ASP A 33 -8.069 4.133 4.981 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.516 5.158 4.423 1.00 0.00 O ATOM 476 OD2 ASP A 33 -8.025 3.016 4.427 1.00 0.00 O ATOM 0 H ASP A 33 -6.121 6.269 4.721 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.347 5.601 7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.244 3.272 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.368 4.584 7.050 1.00 0.00 H new ATOM 481 N THR A 34 -4.090 4.683 7.093 1.00 0.00 N ATOM 482 CA THR A 34 -2.782 4.067 6.903 1.00 0.00 C ATOM 483 C THR A 34 -2.892 2.617 6.447 1.00 0.00 C ATOM 484 O THR A 34 -3.443 1.769 7.148 1.00 0.00 O ATOM 485 CB THR A 34 -1.957 4.143 8.179 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.787 4.316 9.313 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.944 5.268 8.163 1.00 0.00 C ATOM 0 H THR A 34 -4.175 5.237 7.945 1.00 0.00 H new ATOM 0 HA THR A 34 -2.280 4.630 6.116 1.00 0.00 H new ATOM 0 HB THR A 34 -1.423 3.195 8.235 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.233 4.360 10.120 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.387 5.270 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.254 5.125 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.460 6.221 8.046 1.00 0.00 H new ATOM 495 N LEU A 35 -2.346 2.345 5.269 1.00 0.00 N ATOM 496 CA LEU A 35 -2.355 1.006 4.705 1.00 0.00 C ATOM 497 C LEU A 35 -1.087 0.268 5.106 1.00 0.00 C ATOM 498 O LEU A 35 -1.137 -0.889 5.520 1.00 0.00 O ATOM 499 CB LEU A 35 -2.463 1.063 3.180 1.00 0.00 C ATOM 500 CG LEU A 35 -3.744 1.699 2.642 1.00 0.00 C ATOM 501 CD1 LEU A 35 -3.763 1.652 1.123 1.00 0.00 C ATOM 502 CD2 LEU A 35 -4.967 0.998 3.215 1.00 0.00 C ATOM 0 H LEU A 35 -1.888 3.043 4.683 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.222 0.472 5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.610 1.619 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.388 0.049 2.788 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.769 2.743 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.682 2.109 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.905 2.198 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.716 0.615 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.871 1.463 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.949 -0.055 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.959 1.082 4.302 1.00 0.00 H new ATOM 514 N ILE A 36 0.050 0.953 4.990 1.00 0.00 N ATOM 515 CA ILE A 36 1.334 0.361 5.352 1.00 0.00 C ATOM 516 C ILE A 36 2.364 1.416 5.733 1.00 0.00 C ATOM 517 O ILE A 36 2.101 2.617 5.684 1.00 0.00 O ATOM 518 CB ILE A 36 1.922 -0.510 4.213 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.936 0.215 2.856 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.143 -1.803 4.093 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.282 1.688 2.914 1.00 0.00 C ATOM 0 H ILE A 36 0.107 1.913 4.650 1.00 0.00 H new ATOM 0 HA ILE A 36 1.127 -0.271 6.215 1.00 0.00 H new ATOM 0 HB ILE A 36 2.958 -0.720 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.652 -0.284 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.954 0.107 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.564 -2.408 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.204 -2.353 5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.100 -1.580 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.265 2.106 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.553 2.209 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.277 1.811 3.341 1.00 0.00 H new ATOM 533 N THR A 37 3.551 0.941 6.075 1.00 0.00 N ATOM 534 CA THR A 37 4.665 1.801 6.428 1.00 0.00 C ATOM 535 C THR A 37 5.925 1.229 5.796 1.00 0.00 C ATOM 536 O THR A 37 6.316 0.100 6.091 1.00 0.00 O ATOM 537 CB THR A 37 4.814 1.904 7.946 1.00 0.00 C ATOM 538 OG1 THR A 37 3.609 2.355 8.538 1.00 0.00 O ATOM 539 CG2 THR A 37 5.917 2.848 8.377 1.00 0.00 C ATOM 0 H THR A 37 3.768 -0.055 6.115 1.00 0.00 H new ATOM 0 HA THR A 37 4.488 2.809 6.054 1.00 0.00 H new ATOM 0 HB THR A 37 5.067 0.898 8.280 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.724 2.413 9.510 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.969 2.874 9.465 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.870 2.501 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.708 3.849 7.999 1.00 0.00 H new ATOM 547 N LEU A 38 6.533 1.987 4.892 1.00 0.00 N ATOM 548 CA LEU A 38 7.722 1.520 4.189 1.00 0.00 C ATOM 549 C LEU A 38 8.968 2.297 4.590 1.00 0.00 C ATOM 550 O LEU A 38 8.900 3.257 5.355 1.00 0.00 O ATOM 551 CB LEU A 38 7.504 1.628 2.683 1.00 0.00 C ATOM 552 CG LEU A 38 6.652 0.517 2.077 1.00 0.00 C ATOM 553 CD1 LEU A 38 5.190 0.932 2.038 1.00 0.00 C ATOM 554 CD2 LEU A 38 7.147 0.172 0.683 1.00 0.00 C ATOM 0 H LEU A 38 6.225 2.923 4.629 1.00 0.00 H new ATOM 0 HA LEU A 38 7.883 0.479 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.033 2.587 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.476 1.632 2.189 1.00 0.00 H new ATOM 0 HG LEU A 38 6.741 -0.371 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.595 0.129 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.842 1.134 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.083 1.832 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.529 -0.622 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.085 1.054 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.182 -0.164 0.737 1.00 0.00 H new ATOM 566 N GLU A 39 10.109 1.864 4.062 1.00 0.00 N ATOM 567 CA GLU A 39 11.384 2.505 4.349 1.00 0.00 C ATOM 568 C GLU A 39 12.507 1.842 3.562 1.00 0.00 C ATOM 569 O GLU A 39 12.389 0.690 3.144 1.00 0.00 O ATOM 570 CB GLU A 39 11.685 2.443 5.846 1.00 0.00 C ATOM 571 CG GLU A 39 13.072 2.945 6.212 1.00 0.00 C ATOM 572 CD GLU A 39 14.147 1.899 5.994 1.00 0.00 C ATOM 573 OE1 GLU A 39 13.796 0.743 5.680 1.00 0.00 O ATOM 574 OE2 GLU A 39 15.341 2.236 6.138 1.00 0.00 O ATOM 0 H GLU A 39 10.174 1.067 3.429 1.00 0.00 H new ATOM 0 HA GLU A 39 11.317 3.550 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.942 3.033 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.580 1.413 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.304 3.828 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.078 3.255 7.257 1.00 0.00 H new ATOM 581 N THR A 40 13.592 2.576 3.354 1.00 0.00 N ATOM 582 CA THR A 40 14.731 2.059 2.606 1.00 0.00 C ATOM 583 C THR A 40 16.031 2.313 3.356 1.00 0.00 C ATOM 584 O THR A 40 16.766 1.382 3.687 1.00 0.00 O ATOM 585 CB THR A 40 14.793 2.714 1.227 1.00 0.00 C ATOM 586 OG1 THR A 40 15.365 4.007 1.310 1.00 0.00 O ATOM 587 CG2 THR A 40 13.435 2.855 0.574 1.00 0.00 C ATOM 0 H THR A 40 13.708 3.531 3.693 1.00 0.00 H new ATOM 0 HA THR A 40 14.603 0.983 2.489 1.00 0.00 H new ATOM 0 HB THR A 40 15.407 2.050 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 40 14.790 4.650 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.548 3.327 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.986 1.869 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.791 3.470 1.202 1.00 0.00 H new ATOM 595 N ASP A 41 16.306 3.582 3.619 1.00 0.00 N ATOM 596 CA ASP A 41 17.516 3.976 4.329 1.00 0.00 C ATOM 597 C ASP A 41 17.521 5.477 4.597 1.00 0.00 C ATOM 598 O ASP A 41 17.954 5.927 5.657 1.00 0.00 O ATOM 599 CB ASP A 41 18.754 3.585 3.520 1.00 0.00 C ATOM 600 CG ASP A 41 20.044 3.876 4.261 1.00 0.00 C ATOM 601 OD1 ASP A 41 20.301 5.061 4.561 1.00 0.00 O ATOM 602 OD2 ASP A 41 20.798 2.920 4.541 1.00 0.00 O ATOM 0 H ASP A 41 15.705 4.361 3.350 1.00 0.00 H new ATOM 0 HA ASP A 41 17.536 3.454 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.708 2.523 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.752 4.126 2.574 1.00 0.00 H new ATOM 607 N LYS A 42 17.034 6.247 3.628 1.00 0.00 N ATOM 608 CA LYS A 42 16.981 7.697 3.758 1.00 0.00 C ATOM 609 C LYS A 42 15.854 8.120 4.697 1.00 0.00 C ATOM 610 O LYS A 42 15.915 9.185 5.313 1.00 0.00 O ATOM 611 CB LYS A 42 16.787 8.346 2.387 1.00 0.00 C ATOM 612 CG LYS A 42 18.091 8.630 1.659 1.00 0.00 C ATOM 613 CD LYS A 42 18.855 9.770 2.312 1.00 0.00 C ATOM 614 CE LYS A 42 20.287 9.370 2.632 1.00 0.00 C ATOM 615 NZ LYS A 42 21.028 10.460 3.324 1.00 0.00 N ATOM 0 H LYS A 42 16.671 5.889 2.745 1.00 0.00 H new ATOM 0 HA LYS A 42 17.928 8.033 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.170 7.693 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.239 9.280 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 42 18.709 7.732 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.882 8.879 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.857 10.635 1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.347 10.072 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.283 8.479 3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.805 9.108 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.999 10.147 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.054 11.303 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.549 10.693 4.217 1.00 0.00 H new ATOM 629 N ALA A 43 14.827 7.281 4.803 1.00 0.00 N ATOM 630 CA ALA A 43 13.690 7.574 5.667 1.00 0.00 C ATOM 631 C ALA A 43 12.600 6.517 5.527 1.00 0.00 C ATOM 632 O ALA A 43 12.655 5.665 4.640 1.00 0.00 O ATOM 633 CB ALA A 43 13.130 8.952 5.350 1.00 0.00 C ATOM 0 H ALA A 43 14.760 6.395 4.302 1.00 0.00 H new ATOM 0 HA ALA A 43 14.040 7.560 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.281 9.159 6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.902 9.704 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.804 8.982 4.310 1.00 0.00 H new ATOM 639 N THR A 44 11.605 6.583 6.407 1.00 0.00 N ATOM 640 CA THR A 44 10.495 5.637 6.384 1.00 0.00 C ATOM 641 C THR A 44 9.214 6.326 5.927 1.00 0.00 C ATOM 642 O THR A 44 8.855 7.389 6.433 1.00 0.00 O ATOM 643 CB THR A 44 10.293 5.021 7.769 1.00 0.00 C ATOM 644 OG1 THR A 44 9.497 5.863 8.581 1.00 0.00 O ATOM 645 CG2 THR A 44 11.591 4.765 8.504 1.00 0.00 C ATOM 0 H THR A 44 11.545 7.283 7.146 1.00 0.00 H new ATOM 0 HA THR A 44 10.735 4.843 5.677 1.00 0.00 H new ATOM 0 HB THR A 44 9.800 4.065 7.592 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.378 5.451 9.462 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.377 4.328 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.207 4.077 7.925 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.125 5.706 8.638 1.00 0.00 H new ATOM 653 N MET A 45 8.531 5.719 4.963 1.00 0.00 N ATOM 654 CA MET A 45 7.295 6.282 4.436 1.00 0.00 C ATOM 655 C MET A 45 6.081 5.465 4.863 1.00 0.00 C ATOM 656 O MET A 45 6.172 4.595 5.729 1.00 0.00 O ATOM 657 CB MET A 45 7.355 6.356 2.909 1.00 0.00 C ATOM 658 CG MET A 45 7.406 7.777 2.373 1.00 0.00 C ATOM 659 SD MET A 45 8.942 8.624 2.793 1.00 0.00 S ATOM 660 CE MET A 45 8.309 10.128 3.529 1.00 0.00 C ATOM 0 H MET A 45 8.812 4.839 4.532 1.00 0.00 H new ATOM 0 HA MET A 45 7.190 7.287 4.845 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.234 5.813 2.561 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.483 5.851 2.494 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.292 7.757 1.289 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.563 8.342 2.772 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.141 10.759 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.702 10.663 2.799 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.697 9.879 4.396 1.00 0.00 H new ATOM 670 N ASP A 46 4.944 5.759 4.243 1.00 0.00 N ATOM 671 CA ASP A 46 3.697 5.067 4.541 1.00 0.00 C ATOM 672 C ASP A 46 2.586 5.563 3.622 1.00 0.00 C ATOM 673 O ASP A 46 2.741 6.578 2.944 1.00 0.00 O ATOM 674 CB ASP A 46 3.304 5.283 6.004 1.00 0.00 C ATOM 675 CG ASP A 46 3.271 6.750 6.384 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.843 7.571 5.546 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.672 7.079 7.520 1.00 0.00 O ATOM 0 H ASP A 46 4.861 6.478 3.525 1.00 0.00 H new ATOM 0 HA ASP A 46 3.844 4.000 4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.323 4.842 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.011 4.760 6.648 1.00 0.00 H new ATOM 682 N VAL A 47 1.467 4.847 3.600 1.00 0.00 N ATOM 683 CA VAL A 47 0.344 5.235 2.756 1.00 0.00 C ATOM 684 C VAL A 47 -0.944 5.325 3.568 1.00 0.00 C ATOM 685 O VAL A 47 -1.322 4.366 4.235 1.00 0.00 O ATOM 686 CB VAL A 47 0.138 4.235 1.598 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.091 4.602 0.772 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.380 4.175 0.721 1.00 0.00 C ATOM 0 H VAL A 47 1.314 4.003 4.152 1.00 0.00 H new ATOM 0 HA VAL A 47 0.582 6.215 2.342 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.030 3.247 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.214 3.882 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.975 4.586 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.963 5.600 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.218 3.466 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.580 5.163 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.233 3.854 1.319 1.00 0.00 H new ATOM 698 N PRO A 48 -1.637 6.480 3.516 1.00 0.00 N ATOM 699 CA PRO A 48 -2.883 6.692 4.241 1.00 0.00 C ATOM 700 C PRO A 48 -4.109 6.285 3.427 1.00 0.00 C ATOM 701 O PRO A 48 -5.186 6.861 3.583 1.00 0.00 O ATOM 702 CB PRO A 48 -2.871 8.199 4.469 1.00 0.00 C ATOM 703 CG PRO A 48 -2.182 8.756 3.265 1.00 0.00 C ATOM 704 CD PRO A 48 -1.259 7.676 2.743 1.00 0.00 C ATOM 0 HA PRO A 48 -2.945 6.096 5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.882 8.594 4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.340 8.457 5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.908 9.044 2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.619 9.653 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.394 7.519 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.212 7.937 2.898 1.00 0.00 H new ATOM 712 N ALA A 49 -3.938 5.294 2.557 1.00 0.00 N ATOM 713 CA ALA A 49 -5.030 4.812 1.718 1.00 0.00 C ATOM 714 C ALA A 49 -5.679 5.951 0.942 1.00 0.00 C ATOM 715 O ALA A 49 -6.419 6.757 1.504 1.00 0.00 O ATOM 716 CB ALA A 49 -6.073 4.094 2.560 1.00 0.00 C ATOM 0 H ALA A 49 -3.052 4.809 2.415 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.608 4.109 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.880 3.742 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.612 3.244 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.476 4.781 3.304 1.00 0.00 H new ATOM 722 N GLU A 50 -5.408 6.003 -0.357 1.00 0.00 N ATOM 723 CA GLU A 50 -5.977 7.035 -1.211 1.00 0.00 C ATOM 724 C GLU A 50 -7.122 6.464 -2.031 1.00 0.00 C ATOM 725 O GLU A 50 -7.013 6.295 -3.244 1.00 0.00 O ATOM 726 CB GLU A 50 -4.906 7.621 -2.133 1.00 0.00 C ATOM 727 CG GLU A 50 -5.106 9.096 -2.438 1.00 0.00 C ATOM 728 CD GLU A 50 -3.804 9.873 -2.434 1.00 0.00 C ATOM 729 OE1 GLU A 50 -3.034 9.748 -3.410 1.00 0.00 O ATOM 730 OE2 GLU A 50 -3.554 10.607 -1.455 1.00 0.00 O ATOM 0 H GLU A 50 -4.799 5.343 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.362 7.835 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.928 7.483 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.899 7.063 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.584 9.200 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.784 9.527 -1.702 1.00 0.00 H new ATOM 737 N VAL A 51 -8.215 6.152 -1.347 1.00 0.00 N ATOM 738 CA VAL A 51 -9.384 5.575 -1.998 1.00 0.00 C ATOM 739 C VAL A 51 -10.634 5.797 -1.156 1.00 0.00 C ATOM 740 O VAL A 51 -10.608 6.547 -0.186 1.00 0.00 O ATOM 741 CB VAL A 51 -9.186 4.065 -2.264 1.00 0.00 C ATOM 742 CG1 VAL A 51 -8.749 3.840 -3.699 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.166 3.467 -1.300 1.00 0.00 C ATOM 0 H VAL A 51 -8.317 6.289 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.511 6.079 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.140 3.563 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.613 2.773 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.512 4.225 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.808 4.360 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.047 2.404 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.208 3.971 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.514 3.598 -0.275 1.00 0.00 H new ATOM 753 N ALA A 52 -11.731 5.163 -1.543 1.00 0.00 N ATOM 754 CA ALA A 52 -12.991 5.314 -0.822 1.00 0.00 C ATOM 755 C ALA A 52 -13.938 4.165 -1.117 1.00 0.00 C ATOM 756 O ALA A 52 -15.058 4.375 -1.582 1.00 0.00 O ATOM 757 CB ALA A 52 -13.642 6.618 -1.217 1.00 0.00 C ATOM 0 H ALA A 52 -11.777 4.540 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.775 5.310 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.583 6.732 -0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.979 7.446 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.835 6.618 -2.290 1.00 0.00 H new ATOM 763 N GLY A 53 -13.483 2.951 -0.864 1.00 0.00 N ATOM 764 CA GLY A 53 -14.308 1.790 -1.133 1.00 0.00 C ATOM 765 C GLY A 53 -13.832 0.536 -0.425 1.00 0.00 C ATOM 766 O GLY A 53 -13.740 0.502 0.802 1.00 0.00 O ATOM 0 H GLY A 53 -12.561 2.746 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.333 2.003 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.326 1.607 -2.207 1.00 0.00 H new ATOM 770 N VAL A 54 -13.543 -0.503 -1.204 1.00 0.00 N ATOM 771 CA VAL A 54 -13.088 -1.776 -0.652 1.00 0.00 C ATOM 772 C VAL A 54 -11.941 -2.361 -1.471 1.00 0.00 C ATOM 773 O VAL A 54 -11.962 -2.314 -2.700 1.00 0.00 O ATOM 774 CB VAL A 54 -14.239 -2.796 -0.616 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.780 -4.103 0.012 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.436 -2.226 0.131 1.00 0.00 C ATOM 0 H VAL A 54 -13.616 -0.488 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.738 -1.578 0.361 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.546 -3.004 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.609 -4.810 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.959 -4.519 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.442 -3.918 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.240 -2.962 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.146 -1.985 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.781 -1.322 -0.371 1.00 0.00 H new ATOM 786 N VAL A 55 -10.944 -2.920 -0.789 1.00 0.00 N ATOM 787 CA VAL A 55 -9.801 -3.515 -1.472 1.00 0.00 C ATOM 788 C VAL A 55 -10.190 -4.811 -2.168 1.00 0.00 C ATOM 789 O VAL A 55 -11.056 -5.550 -1.698 1.00 0.00 O ATOM 790 CB VAL A 55 -8.630 -3.805 -0.509 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.468 -4.467 -1.249 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.174 -2.525 0.173 1.00 0.00 C ATOM 0 H VAL A 55 -10.905 -2.973 0.229 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.475 -2.781 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.980 -4.498 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.655 -4.662 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.804 -5.407 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.116 -3.805 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.348 -2.747 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.845 -1.809 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.002 -2.100 0.740 1.00 0.00 H new ATOM 802 N LYS A 56 -9.526 -5.084 -3.280 1.00 0.00 N ATOM 803 CA LYS A 56 -9.773 -6.298 -4.044 1.00 0.00 C ATOM 804 C LYS A 56 -8.524 -7.151 -4.063 1.00 0.00 C ATOM 805 O LYS A 56 -8.567 -8.351 -3.790 1.00 0.00 O ATOM 806 CB LYS A 56 -10.176 -5.987 -5.492 1.00 0.00 C ATOM 807 CG LYS A 56 -10.383 -4.510 -5.789 1.00 0.00 C ATOM 808 CD LYS A 56 -11.743 -4.028 -5.305 1.00 0.00 C ATOM 809 CE LYS A 56 -12.870 -4.865 -5.890 1.00 0.00 C ATOM 810 NZ LYS A 56 -12.631 -5.199 -7.321 1.00 0.00 N ATOM 0 H LYS A 56 -8.808 -4.478 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.594 -6.828 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.407 -6.374 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.097 -6.523 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.597 -3.928 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.296 -4.338 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.781 -4.074 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.881 -2.983 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.974 -5.785 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.811 -4.323 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.536 -5.195 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.992 -4.494 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.198 -6.142 -7.390 1.00 0.00 H new ATOM 824 N GLU A 57 -7.409 -6.519 -4.404 1.00 0.00 N ATOM 825 CA GLU A 57 -6.149 -7.222 -4.476 1.00 0.00 C ATOM 826 C GLU A 57 -5.195 -6.780 -3.372 1.00 0.00 C ATOM 827 O GLU A 57 -5.491 -5.862 -2.607 1.00 0.00 O ATOM 828 CB GLU A 57 -5.498 -7.015 -5.845 1.00 0.00 C ATOM 829 CG GLU A 57 -5.918 -8.048 -6.878 1.00 0.00 C ATOM 830 CD GLU A 57 -5.213 -9.377 -6.693 1.00 0.00 C ATOM 831 OE1 GLU A 57 -4.113 -9.550 -7.257 1.00 0.00 O ATOM 832 OE2 GLU A 57 -5.763 -10.246 -5.983 1.00 0.00 O ATOM 0 H GLU A 57 -7.358 -5.526 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.357 -8.283 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.752 -6.021 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.414 -7.046 -5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.995 -8.201 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.707 -7.665 -7.876 1.00 0.00 H new ATOM 839 N VAL A 58 -4.049 -7.445 -3.300 1.00 0.00 N ATOM 840 CA VAL A 58 -3.040 -7.135 -2.295 1.00 0.00 C ATOM 841 C VAL A 58 -1.707 -7.781 -2.642 1.00 0.00 C ATOM 842 O VAL A 58 -1.634 -8.981 -2.908 1.00 0.00 O ATOM 843 CB VAL A 58 -3.475 -7.612 -0.898 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.735 -9.109 -0.907 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.421 -7.251 0.138 1.00 0.00 C ATOM 0 H VAL A 58 -3.794 -8.206 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.927 -6.051 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.403 -7.107 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.042 -9.431 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.526 -9.337 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.824 -9.635 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.744 -7.595 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.477 -7.729 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.286 -6.170 0.159 1.00 0.00 H new ATOM 855 N LYS A 59 -0.652 -6.979 -2.635 1.00 0.00 N ATOM 856 CA LYS A 59 0.681 -7.467 -2.947 1.00 0.00 C ATOM 857 C LYS A 59 1.725 -6.725 -2.127 1.00 0.00 C ATOM 858 O LYS A 59 2.470 -5.897 -2.651 1.00 0.00 O ATOM 859 CB LYS A 59 0.967 -7.300 -4.436 1.00 0.00 C ATOM 860 CG LYS A 59 -0.063 -7.976 -5.323 1.00 0.00 C ATOM 861 CD LYS A 59 -1.146 -7.004 -5.754 1.00 0.00 C ATOM 862 CE LYS A 59 -1.733 -7.383 -7.104 1.00 0.00 C ATOM 863 NZ LYS A 59 -0.673 -7.687 -8.104 1.00 0.00 N ATOM 0 H LYS A 59 -0.695 -5.984 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 59 0.730 -8.526 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.002 -6.237 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.953 -7.709 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.428 -8.389 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.514 -8.812 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.938 -6.985 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.732 -5.997 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.382 -8.251 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.356 -6.567 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.981 -7.367 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.204 -7.194 -7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.500 -8.712 -8.126 1.00 0.00 H new ATOM 877 N VAL A 60 1.763 -7.018 -0.834 1.00 0.00 N ATOM 878 CA VAL A 60 2.705 -6.369 0.065 1.00 0.00 C ATOM 879 C VAL A 60 2.707 -7.052 1.432 1.00 0.00 C ATOM 880 O VAL A 60 1.690 -7.580 1.882 1.00 0.00 O ATOM 881 CB VAL A 60 2.384 -4.852 0.201 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.885 -4.602 0.083 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.925 -4.255 1.500 1.00 0.00 C ATOM 0 H VAL A 60 1.152 -7.701 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 60 3.704 -6.465 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 60 2.892 -4.348 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.685 -3.535 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.534 -4.949 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.363 -5.143 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.674 -3.195 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.479 -4.770 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.008 -4.373 1.531 1.00 0.00 H new ATOM 893 N LYS A 61 3.865 -7.034 2.078 1.00 0.00 N ATOM 894 CA LYS A 61 4.026 -7.647 3.391 1.00 0.00 C ATOM 895 C LYS A 61 5.181 -6.997 4.149 1.00 0.00 C ATOM 896 O LYS A 61 5.764 -6.015 3.689 1.00 0.00 O ATOM 897 CB LYS A 61 4.271 -9.151 3.250 1.00 0.00 C ATOM 898 CG LYS A 61 5.056 -9.529 2.003 1.00 0.00 C ATOM 899 CD LYS A 61 4.135 -9.955 0.872 1.00 0.00 C ATOM 900 CE LYS A 61 3.960 -11.465 0.835 1.00 0.00 C ATOM 901 NZ LYS A 61 2.527 -11.856 0.727 1.00 0.00 N ATOM 0 H LYS A 61 4.712 -6.599 1.712 1.00 0.00 H new ATOM 0 HA LYS A 61 3.107 -7.491 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.809 -9.506 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.311 -9.667 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.660 -8.681 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.745 -10.340 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.163 -9.478 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.542 -9.611 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.512 -11.874 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.389 -11.902 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.451 -12.893 0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.004 -11.488 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.124 -11.460 -0.146 1.00 0.00 H new ATOM 915 N VAL A 62 5.504 -7.547 5.314 1.00 0.00 N ATOM 916 CA VAL A 62 6.586 -7.018 6.133 1.00 0.00 C ATOM 917 C VAL A 62 7.888 -7.772 5.886 1.00 0.00 C ATOM 918 O VAL A 62 8.281 -8.630 6.678 1.00 0.00 O ATOM 919 CB VAL A 62 6.240 -7.093 7.631 1.00 0.00 C ATOM 920 CG1 VAL A 62 7.366 -6.508 8.471 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.928 -6.377 7.911 1.00 0.00 C ATOM 0 H VAL A 62 5.032 -8.359 5.712 1.00 0.00 H new ATOM 0 HA VAL A 62 6.717 -5.975 5.846 1.00 0.00 H new ATOM 0 HB VAL A 62 6.122 -8.141 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.102 -6.570 9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.283 -7.070 8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.520 -5.464 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.699 -6.440 8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.015 -5.330 7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.128 -6.847 7.339 1.00 0.00 H new ATOM 931 N GLY A 63 8.559 -7.445 4.785 1.00 0.00 N ATOM 932 CA GLY A 63 9.812 -8.102 4.459 1.00 0.00 C ATOM 933 C GLY A 63 9.870 -8.566 3.016 1.00 0.00 C ATOM 934 O GLY A 63 10.279 -9.693 2.736 1.00 0.00 O ATOM 0 H GLY A 63 8.258 -6.738 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.638 -7.416 4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.951 -8.959 5.118 1.00 0.00 H new ATOM 938 N ASP A 64 9.463 -7.696 2.097 1.00 0.00 N ATOM 939 CA ASP A 64 9.473 -8.027 0.676 1.00 0.00 C ATOM 940 C ASP A 64 10.143 -6.923 -0.135 1.00 0.00 C ATOM 941 O ASP A 64 10.434 -5.845 0.384 1.00 0.00 O ATOM 942 CB ASP A 64 8.045 -8.249 0.173 1.00 0.00 C ATOM 943 CG ASP A 64 7.128 -7.089 0.506 1.00 0.00 C ATOM 944 OD1 ASP A 64 7.446 -6.332 1.448 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.093 -6.936 -0.176 1.00 0.00 O ATOM 0 H ASP A 64 9.123 -6.758 2.310 1.00 0.00 H new ATOM 0 HA ASP A 64 10.044 -8.946 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.062 -8.397 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.645 -9.162 0.613 1.00 0.00 H new ATOM 950 N LYS A 65 10.382 -7.200 -1.413 1.00 0.00 N ATOM 951 CA LYS A 65 11.016 -6.233 -2.302 1.00 0.00 C ATOM 952 C LYS A 65 9.964 -5.394 -3.016 1.00 0.00 C ATOM 953 O LYS A 65 9.177 -5.912 -3.807 1.00 0.00 O ATOM 954 CB LYS A 65 11.903 -6.946 -3.322 1.00 0.00 C ATOM 955 CG LYS A 65 13.305 -7.233 -2.810 1.00 0.00 C ATOM 956 CD LYS A 65 14.365 -6.662 -3.737 1.00 0.00 C ATOM 957 CE LYS A 65 15.624 -6.282 -2.976 1.00 0.00 C ATOM 958 NZ LYS A 65 16.745 -5.936 -3.892 1.00 0.00 N ATOM 0 H LYS A 65 10.146 -8.088 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 65 11.639 -5.571 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.430 -7.885 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.971 -6.335 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.424 -6.807 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.445 -8.310 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.610 -7.395 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.969 -5.785 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.412 -5.434 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.923 -7.110 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.561 -6.548 -3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.444 -6.076 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.014 -4.941 -3.751 1.00 0.00 H new ATOM 972 N ILE A 66 9.947 -4.098 -2.724 1.00 0.00 N ATOM 973 CA ILE A 66 8.978 -3.198 -3.334 1.00 0.00 C ATOM 974 C ILE A 66 9.648 -1.942 -3.896 1.00 0.00 C ATOM 975 O ILE A 66 10.761 -1.589 -3.508 1.00 0.00 O ATOM 976 CB ILE A 66 7.852 -2.844 -2.312 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.493 -3.187 -2.913 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.883 -1.387 -1.844 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.372 -4.649 -3.273 1.00 0.00 C ATOM 0 H ILE A 66 10.590 -3.650 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 66 8.521 -3.712 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 66 8.032 -3.444 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.709 -2.925 -2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.331 -2.582 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.072 -1.215 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.837 -1.181 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.761 -0.726 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.386 -4.839 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.137 -4.908 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.506 -5.256 -2.378 1.00 0.00 H new ATOM 991 N SER A 67 8.950 -1.271 -4.807 1.00 0.00 N ATOM 992 CA SER A 67 9.461 -0.052 -5.420 1.00 0.00 C ATOM 993 C SER A 67 8.336 0.944 -5.673 1.00 0.00 C ATOM 994 O SER A 67 7.199 0.559 -5.943 1.00 0.00 O ATOM 995 CB SER A 67 10.165 -0.366 -6.740 1.00 0.00 C ATOM 996 OG SER A 67 10.015 -1.730 -7.089 1.00 0.00 O ATOM 0 H SER A 67 8.027 -1.553 -5.137 1.00 0.00 H new ATOM 0 HA SER A 67 10.177 0.390 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.756 0.262 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.224 -0.124 -6.657 1.00 0.00 H new ATOM 0 HG SER A 67 10.473 -1.903 -7.938 1.00 0.00 H new ATOM 1002 N GLU A 68 8.669 2.226 -5.598 1.00 0.00 N ATOM 1003 CA GLU A 68 7.700 3.289 -5.832 1.00 0.00 C ATOM 1004 C GLU A 68 6.898 3.015 -7.107 1.00 0.00 C ATOM 1005 O GLU A 68 7.365 3.280 -8.214 1.00 0.00 O ATOM 1006 CB GLU A 68 8.424 4.635 -5.939 1.00 0.00 C ATOM 1007 CG GLU A 68 7.548 5.763 -6.455 1.00 0.00 C ATOM 1008 CD GLU A 68 8.340 7.016 -6.776 1.00 0.00 C ATOM 1009 OE1 GLU A 68 9.181 7.416 -5.945 1.00 0.00 O ATOM 1010 OE2 GLU A 68 8.117 7.596 -7.859 1.00 0.00 O ATOM 0 H GLU A 68 9.608 2.556 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 68 7.006 3.323 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.811 4.908 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.283 4.523 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.023 5.430 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.789 5.999 -5.709 1.00 0.00 H new ATOM 1017 N GLY A 69 5.692 2.478 -6.940 1.00 0.00 N ATOM 1018 CA GLY A 69 4.852 2.173 -8.083 1.00 0.00 C ATOM 1019 C GLY A 69 4.908 0.707 -8.465 1.00 0.00 C ATOM 1020 O GLY A 69 5.404 0.359 -9.537 1.00 0.00 O ATOM 0 H GLY A 69 5.283 2.249 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.822 2.448 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.165 2.780 -8.933 1.00 0.00 H new ATOM 1024 N GLY A 70 4.401 -0.158 -7.589 1.00 0.00 N ATOM 1025 CA GLY A 70 4.414 -1.582 -7.870 1.00 0.00 C ATOM 1026 C GLY A 70 3.054 -2.227 -7.693 1.00 0.00 C ATOM 1027 O GLY A 70 2.958 -3.408 -7.359 1.00 0.00 O ATOM 0 H GLY A 70 3.984 0.101 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.757 -1.743 -8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.132 -2.071 -7.212 1.00 0.00 H new ATOM 1031 N LEU A 71 1.996 -1.447 -7.910 1.00 0.00 N ATOM 1032 CA LEU A 71 0.626 -1.942 -7.768 1.00 0.00 C ATOM 1033 C LEU A 71 0.481 -2.807 -6.519 1.00 0.00 C ATOM 1034 O LEU A 71 0.392 -4.031 -6.604 1.00 0.00 O ATOM 1035 CB LEU A 71 0.211 -2.745 -9.003 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.182 -3.376 -8.920 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.239 -2.309 -8.674 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.490 -4.152 -10.192 1.00 0.00 C ATOM 0 H LEU A 71 2.061 -0.467 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.029 -1.076 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.247 -2.090 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.943 -3.535 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.197 -4.071 -8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.222 -2.777 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.027 -1.796 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.226 -1.589 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.483 -4.594 -10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.457 -3.477 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.750 -4.942 -10.325 1.00 0.00 H new ATOM 1050 N ILE A 72 0.468 -2.160 -5.363 1.00 0.00 N ATOM 1051 CA ILE A 72 0.342 -2.861 -4.096 1.00 0.00 C ATOM 1052 C ILE A 72 -1.039 -3.515 -3.966 1.00 0.00 C ATOM 1053 O ILE A 72 -1.175 -4.729 -4.114 1.00 0.00 O ATOM 1054 CB ILE A 72 0.631 -1.895 -2.910 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.117 -1.947 -2.560 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.208 -2.211 -1.671 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.695 -0.601 -2.190 1.00 0.00 C ATOM 0 H ILE A 72 0.544 -1.146 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 72 1.083 -3.659 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 72 0.353 -0.892 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.263 -2.637 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.669 -2.350 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.036 -1.506 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.267 -2.128 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.008 -3.225 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.753 -0.712 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.581 0.087 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.169 -0.205 -1.321 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.057 -2.708 -3.678 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.413 -3.223 -3.520 1.00 0.00 C ATOM 1071 C VAL A 73 -4.417 -2.444 -4.367 1.00 0.00 C ATOM 1072 O VAL A 73 -4.261 -1.248 -4.591 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.860 -3.174 -2.043 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -2.866 -3.908 -1.157 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -4.030 -1.734 -1.578 1.00 0.00 C ATOM 0 H VAL A 73 -1.969 -1.700 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.393 -4.258 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.825 -3.674 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.199 -3.862 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.799 -4.950 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.886 -3.439 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.345 -1.723 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.082 -1.206 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.785 -1.241 -2.190 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.460 -3.132 -4.821 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.502 -2.505 -5.627 1.00 0.00 C ATOM 1087 C VAL A 74 -7.725 -2.218 -4.763 1.00 0.00 C ATOM 1088 O VAL A 74 -8.063 -3.004 -3.879 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.915 -3.402 -6.811 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -8.011 -2.742 -7.638 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.709 -3.726 -7.679 1.00 0.00 C ATOM 0 H VAL A 74 -5.606 -4.126 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.099 -1.573 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.312 -4.334 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.284 -3.395 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.885 -2.567 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.649 -1.791 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.019 -4.360 -8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.281 -2.802 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.961 -4.249 -7.083 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.375 -1.085 -5.009 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.547 -0.706 -4.228 1.00 0.00 C ATOM 1103 C VAL A 75 -10.754 -0.415 -5.111 1.00 0.00 C ATOM 1104 O VAL A 75 -10.618 -0.022 -6.268 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.263 0.529 -3.350 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -10.248 0.598 -2.193 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -7.830 0.508 -2.837 1.00 0.00 C ATOM 0 H VAL A 75 -8.113 -0.419 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.775 -1.561 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.390 1.422 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.033 1.476 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -11.263 0.667 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.155 -0.300 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.652 1.389 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.670 -0.391 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.141 0.511 -3.682 1.00 0.00 H new ATOM 1117 N GLU A 76 -11.939 -0.604 -4.540 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.187 -0.357 -5.248 1.00 0.00 C ATOM 1119 C GLU A 76 -13.786 0.970 -4.794 1.00 0.00 C ATOM 1120 O GLU A 76 -14.976 1.062 -4.496 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.176 -1.498 -4.988 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.535 -1.288 -5.637 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.013 -2.508 -6.398 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -15.883 -3.631 -5.863 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -16.519 -2.344 -7.528 1.00 0.00 O ATOM 0 H GLU A 76 -12.060 -0.930 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.984 -0.307 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.747 -2.430 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.311 -1.613 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.265 -1.035 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.481 -0.438 -6.317 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.936 1.993 -4.725 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.350 3.316 -4.288 1.00 0.00 C ATOM 1134 C ALA A 77 -14.719 3.710 -4.826 1.00 0.00 C ATOM 1135 O ALA A 77 -15.142 3.249 -5.887 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.308 4.347 -4.681 1.00 0.00 C ATOM 0 H ALA A 77 -11.948 1.925 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.436 3.283 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.629 5.334 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.356 4.098 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.190 4.350 -5.765 1.00 0.00 H new ATOM 1142 N GLU A 78 -15.405 4.572 -4.079 1.00 0.00 N ATOM 1143 CA GLU A 78 -16.728 5.042 -4.466 1.00 0.00 C ATOM 1144 C GLU A 78 -17.624 3.877 -4.872 1.00 0.00 C ATOM 1145 O GLU A 78 -18.309 3.930 -5.893 1.00 0.00 O ATOM 1146 CB GLU A 78 -16.611 6.049 -5.608 1.00 0.00 C ATOM 1147 CG GLU A 78 -17.395 7.327 -5.369 1.00 0.00 C ATOM 1148 CD GLU A 78 -18.865 7.184 -5.712 1.00 0.00 C ATOM 1149 OE1 GLU A 78 -19.540 6.338 -5.088 1.00 0.00 O ATOM 1150 OE2 GLU A 78 -19.341 7.917 -6.603 1.00 0.00 O ATOM 0 H GLU A 78 -15.063 4.959 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.184 5.533 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.560 6.299 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.961 5.584 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.297 7.619 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.963 8.130 -5.966 1.00 0.00 H new ATOM 1157 N GLY A 79 -17.611 2.823 -4.060 1.00 0.00 N ATOM 1158 CA GLY A 79 -18.423 1.656 -4.342 1.00 0.00 C ATOM 1159 C GLY A 79 -19.901 1.910 -4.124 1.00 0.00 C ATOM 1160 O GLY A 79 -20.340 2.130 -2.995 1.00 0.00 O ATOM 0 H GLY A 79 -17.050 2.758 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.260 1.345 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.102 0.832 -3.705 1.00 0.00 H new ATOM 1164 N THR A 80 -20.671 1.881 -5.207 1.00 0.00 N ATOM 1165 CA THR A 80 -22.108 2.111 -5.130 1.00 0.00 C ATOM 1166 C THR A 80 -22.785 1.045 -4.274 1.00 0.00 C ATOM 1167 O THR A 80 -22.288 -0.076 -4.154 1.00 0.00 O ATOM 1168 CB THR A 80 -22.722 2.121 -6.531 1.00 0.00 C ATOM 1169 OG1 THR A 80 -22.420 0.920 -7.219 1.00 0.00 O ATOM 1170 CG2 THR A 80 -22.243 3.274 -7.386 1.00 0.00 C ATOM 0 H THR A 80 -20.323 1.700 -6.149 1.00 0.00 H new ATOM 0 HA THR A 80 -22.269 3.083 -4.664 1.00 0.00 H new ATOM 0 HB THR A 80 -23.796 2.227 -6.376 1.00 0.00 H new ATOM 0 HG1 THR A 80 -22.823 0.945 -8.112 1.00 0.00 H new ATOM 0 HG21 THR A 80 -22.717 3.221 -8.366 1.00 0.00 H new ATOM 0 HG22 THR A 80 -22.506 4.217 -6.906 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.161 3.216 -7.503 1.00 0.00 H new ATOM 1178 N ALA A 81 -23.920 1.400 -3.683 1.00 0.00 N ATOM 1179 CA ALA A 81 -24.665 0.473 -2.840 1.00 0.00 C ATOM 1180 C ALA A 81 -23.799 -0.052 -1.701 1.00 0.00 C ATOM 1181 O ALA A 81 -22.842 0.652 -1.313 1.00 0.00 O ATOM 1182 CB ALA A 81 -25.202 -0.681 -3.672 1.00 0.00 C ATOM 1183 OXT ALA A 81 -24.084 -1.162 -1.204 1.00 0.00 O ATOM 0 H ALA A 81 -24.344 2.323 -3.772 1.00 0.00 H new ATOM 0 HA ALA A 81 -25.505 1.013 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -25.756 -1.366 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -25.864 -0.294 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -24.371 -1.212 -4.137 1.00 0.00 H new TER 1189 ALA A 81