USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 568 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.84) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -0.245 (180deg=-1.08) USER MOD Single : A 52 SER OG : rot 180:sc= -0.812 USER MOD Single : A 62 ASN : amide:sc= -0.0508 K(o=-0.051,f=-1.1) USER MOD Single : A 64 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 161:sc= 0.0303 USER MOD Single : A 76 SER OG : rot -47:sc= 0.29 USER MOD Single : A 77 THR OG1 : rot 44:sc= 0.134 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.595 X(o=-0.6,f=-0.27) USER MOD Single : A 86 THR OG1 : rot -130:sc= -1.41 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 113:sc= 0.246 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= -0.1 (180deg=-0.43) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -12.764 10.576 -9.402 1.00 0.00 N ATOM 84 CA MET A 9 -12.139 11.098 -8.193 1.00 0.00 C ATOM 85 C MET A 9 -10.792 10.426 -7.944 1.00 0.00 C ATOM 86 O MET A 9 -10.521 9.345 -8.467 1.00 0.00 O ATOM 87 CB MET A 9 -13.057 10.887 -6.987 1.00 0.00 C ATOM 88 CG MET A 9 -14.410 11.567 -7.128 1.00 0.00 C ATOM 89 SD MET A 9 -14.349 13.324 -6.726 1.00 0.00 S ATOM 90 CE MET A 9 -14.607 13.275 -4.954 1.00 0.00 C ATOM 0 HA MET A 9 -11.973 12.166 -8.332 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.210 9.818 -6.840 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.561 11.264 -6.093 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.769 11.444 -8.150 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.130 11.074 -6.475 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.596 14.290 -4.556 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.570 12.812 -4.739 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.813 12.693 -4.487 1.00 0.00 H new ATOM 100 N ILE A 10 -9.952 11.074 -7.143 1.00 0.00 N ATOM 101 CA ILE A 10 -8.635 10.538 -6.825 1.00 0.00 C ATOM 102 C ILE A 10 -8.741 9.151 -6.201 1.00 0.00 C ATOM 103 O ILE A 10 -7.918 8.274 -6.466 1.00 0.00 O ATOM 104 CB ILE A 10 -7.867 11.464 -5.863 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.789 12.880 -6.437 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.472 10.916 -5.600 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.843 13.005 -7.611 1.00 0.00 C ATOM 0 H ILE A 10 -10.161 11.970 -6.703 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.088 10.470 -7.765 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.405 11.505 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.786 13.192 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.472 13.565 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.942 11.582 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.549 9.925 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.924 10.848 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.838 14.035 -7.966 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.837 12.724 -7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.171 12.346 -8.414 1.00 0.00 H new ATOM 119 N ARG A 11 -9.762 8.958 -5.372 1.00 0.00 N ATOM 120 CA ARG A 11 -9.977 7.677 -4.710 1.00 0.00 C ATOM 121 C ARG A 11 -10.142 6.557 -5.733 1.00 0.00 C ATOM 122 O ARG A 11 -9.808 5.404 -5.464 1.00 0.00 O ATOM 123 CB ARG A 11 -11.211 7.745 -3.809 1.00 0.00 C ATOM 124 CG ARG A 11 -11.150 8.858 -2.776 1.00 0.00 C ATOM 125 CD ARG A 11 -12.473 9.010 -2.042 1.00 0.00 C ATOM 126 NE ARG A 11 -12.721 7.901 -1.125 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.933 7.538 -0.721 1.00 0.00 C ATOM 128 NH1 ARG A 11 -15.003 8.193 -1.151 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.078 6.517 0.115 1.00 0.00 N ATOM 0 H ARG A 11 -10.453 9.672 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.101 7.461 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.096 7.885 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.329 6.791 -3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.357 8.647 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.895 9.797 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.473 9.947 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.285 9.069 -2.767 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.919 7.376 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.896 8.978 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.933 7.912 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.258 6.010 0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.009 6.239 0.424 1.00 0.00 H new ATOM 143 N GLU A 12 -10.660 6.906 -6.907 1.00 0.00 N ATOM 144 CA GLU A 12 -10.871 5.930 -7.969 1.00 0.00 C ATOM 145 C GLU A 12 -9.565 5.627 -8.697 1.00 0.00 C ATOM 146 O GLU A 12 -9.142 4.474 -8.782 1.00 0.00 O ATOM 147 CB GLU A 12 -11.915 6.443 -8.964 1.00 0.00 C ATOM 148 CG GLU A 12 -13.347 6.166 -8.540 1.00 0.00 C ATOM 149 CD GLU A 12 -13.933 7.282 -7.697 1.00 0.00 C ATOM 150 OE1 GLU A 12 -13.796 7.225 -6.458 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.529 8.213 -8.279 1.00 0.00 O ATOM 0 H GLU A 12 -10.941 7.857 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.235 5.009 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.785 7.517 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.737 5.981 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.964 6.024 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.381 5.234 -7.976 1.00 0.00 H new ATOM 158 N ARG A 13 -8.930 6.671 -9.221 1.00 0.00 N ATOM 159 CA ARG A 13 -7.673 6.518 -9.943 1.00 0.00 C ATOM 160 C ARG A 13 -6.683 5.680 -9.139 1.00 0.00 C ATOM 161 O ARG A 13 -5.876 4.942 -9.706 1.00 0.00 O ATOM 162 CB ARG A 13 -7.066 7.888 -10.250 1.00 0.00 C ATOM 163 CG ARG A 13 -6.308 8.494 -9.080 1.00 0.00 C ATOM 164 CD ARG A 13 -5.391 9.620 -9.534 1.00 0.00 C ATOM 165 NE ARG A 13 -6.138 10.733 -10.114 1.00 0.00 N ATOM 166 CZ ARG A 13 -5.563 11.784 -10.687 1.00 0.00 C ATOM 167 NH1 ARG A 13 -4.241 11.865 -10.757 1.00 0.00 N ATOM 168 NH2 ARG A 13 -6.310 12.757 -11.193 1.00 0.00 N ATOM 0 H ARG A 13 -9.266 7.632 -9.159 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.882 6.003 -10.880 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.391 7.794 -11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.862 8.570 -10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.016 8.874 -8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.720 7.721 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.808 9.978 -8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.682 9.237 -10.268 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.157 10.701 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.663 11.119 -10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.802 12.673 -11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.327 12.698 -11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.867 13.564 -11.633 1.00 0.00 H new ATOM 182 N ILE A 14 -6.751 5.799 -7.818 1.00 0.00 N ATOM 183 CA ILE A 14 -5.862 5.052 -6.937 1.00 0.00 C ATOM 184 C ILE A 14 -6.259 3.581 -6.873 1.00 0.00 C ATOM 185 O ILE A 14 -5.511 2.707 -7.310 1.00 0.00 O ATOM 186 CB ILE A 14 -5.862 5.634 -5.511 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.288 7.052 -5.516 1.00 0.00 C ATOM 188 CG2 ILE A 14 -5.067 4.738 -4.573 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.496 7.793 -4.213 1.00 0.00 C ATOM 0 H ILE A 14 -7.413 6.406 -7.334 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.859 5.138 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.890 5.680 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.220 7.002 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.749 7.619 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.076 5.163 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.516 3.745 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.038 4.663 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.064 8.791 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.563 7.874 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.011 7.248 -3.403 1.00 0.00 H new ATOM 201 N GLU A 15 -7.443 3.316 -6.328 1.00 0.00 N ATOM 202 CA GLU A 15 -7.940 1.950 -6.209 1.00 0.00 C ATOM 203 C GLU A 15 -7.986 1.267 -7.573 1.00 0.00 C ATOM 204 O GLU A 15 -7.406 0.199 -7.762 1.00 0.00 O ATOM 205 CB GLU A 15 -9.333 1.944 -5.576 1.00 0.00 C ATOM 206 CG GLU A 15 -9.365 2.521 -4.170 1.00 0.00 C ATOM 207 CD GLU A 15 -9.023 1.493 -3.110 1.00 0.00 C ATOM 208 OE1 GLU A 15 -7.821 1.318 -2.819 1.00 0.00 O ATOM 209 OE2 GLU A 15 -9.956 0.863 -2.570 1.00 0.00 O ATOM 0 H GLU A 15 -8.075 4.028 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.255 1.396 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.013 2.514 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.706 0.920 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.662 3.351 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.357 2.927 -3.970 1.00 0.00 H new ATOM 216 N GLU A 16 -8.681 1.893 -8.518 1.00 0.00 N ATOM 217 CA GLU A 16 -8.804 1.344 -9.863 1.00 0.00 C ATOM 218 C GLU A 16 -7.521 0.630 -10.280 1.00 0.00 C ATOM 219 O GLU A 16 -7.554 -0.342 -11.034 1.00 0.00 O ATOM 220 CB GLU A 16 -9.130 2.455 -10.863 1.00 0.00 C ATOM 221 CG GLU A 16 -10.516 3.050 -10.682 1.00 0.00 C ATOM 222 CD GLU A 16 -11.598 2.220 -11.346 1.00 0.00 C ATOM 223 OE1 GLU A 16 -11.938 1.147 -10.803 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.104 2.641 -12.407 1.00 0.00 O ATOM 0 H GLU A 16 -9.166 2.779 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.617 0.618 -9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.388 3.248 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.043 2.058 -11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.733 3.139 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.531 4.058 -11.096 1.00 0.00 H new ATOM 231 N LYS A 17 -6.390 1.120 -9.783 1.00 0.00 N ATOM 232 CA LYS A 17 -5.095 0.531 -10.101 1.00 0.00 C ATOM 233 C LYS A 17 -4.780 -0.629 -9.162 1.00 0.00 C ATOM 234 O LYS A 17 -4.449 -1.729 -9.607 1.00 0.00 O ATOM 235 CB LYS A 17 -3.994 1.589 -10.008 1.00 0.00 C ATOM 236 CG LYS A 17 -3.804 2.384 -11.289 1.00 0.00 C ATOM 237 CD LYS A 17 -2.440 3.051 -11.335 1.00 0.00 C ATOM 238 CE LYS A 17 -2.033 3.390 -12.760 1.00 0.00 C ATOM 239 NZ LYS A 17 -0.845 4.288 -12.799 1.00 0.00 N ATOM 0 H LYS A 17 -6.345 1.925 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.138 0.149 -11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.230 2.276 -9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.054 1.101 -9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.916 1.723 -12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.583 3.142 -11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.458 3.961 -10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.696 2.390 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.812 2.471 -13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.868 3.869 -13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.070 5.137 -13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.589 4.567 -11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.046 3.788 -13.238 1.00 0.00 H new ATOM 253 N LEU A 18 -4.887 -0.378 -7.862 1.00 0.00 N ATOM 254 CA LEU A 18 -4.615 -1.403 -6.860 1.00 0.00 C ATOM 255 C LEU A 18 -5.512 -2.619 -7.067 1.00 0.00 C ATOM 256 O LEU A 18 -5.205 -3.716 -6.600 1.00 0.00 O ATOM 257 CB LEU A 18 -4.820 -0.836 -5.454 1.00 0.00 C ATOM 258 CG LEU A 18 -4.152 0.509 -5.168 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.784 1.172 -3.953 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.655 0.329 -4.961 1.00 0.00 C ATOM 0 H LEU A 18 -5.160 0.526 -7.477 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.577 -1.718 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.891 -0.732 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.449 -1.564 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.304 1.158 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.295 2.128 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.845 1.337 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.665 0.526 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.197 1.297 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.482 -0.338 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.213 -0.101 -5.860 1.00 0.00 H new ATOM 272 N ARG A 19 -6.621 -2.416 -7.770 1.00 0.00 N ATOM 273 CA ARG A 19 -7.563 -3.496 -8.040 1.00 0.00 C ATOM 274 C ARG A 19 -6.901 -4.603 -8.856 1.00 0.00 C ATOM 275 O ARG A 19 -6.794 -5.742 -8.403 1.00 0.00 O ATOM 276 CB ARG A 19 -8.786 -2.960 -8.785 1.00 0.00 C ATOM 277 CG ARG A 19 -9.690 -2.091 -7.926 1.00 0.00 C ATOM 278 CD ARG A 19 -11.066 -1.928 -8.553 1.00 0.00 C ATOM 279 NE ARG A 19 -11.989 -2.978 -8.129 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.673 -2.939 -6.991 1.00 0.00 C ATOM 281 NH1 ARG A 19 -12.540 -1.908 -6.168 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.494 -3.933 -6.675 1.00 0.00 N ATOM 0 H ARG A 19 -6.890 -1.514 -8.163 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.882 -3.914 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.452 -2.382 -9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.363 -3.800 -9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.790 -2.536 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.232 -1.111 -7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.475 -0.955 -8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.974 -1.943 -9.639 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.115 -3.785 -8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.911 -1.142 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.067 -1.881 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.600 -4.727 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.019 -3.903 -5.801 1.00 0.00 H new ATOM 296 N ALA A 20 -6.460 -4.259 -10.061 1.00 0.00 N ATOM 297 CA ALA A 20 -5.808 -5.222 -10.940 1.00 0.00 C ATOM 298 C ALA A 20 -4.326 -5.354 -10.606 1.00 0.00 C ATOM 299 O ALA A 20 -3.749 -6.436 -10.717 1.00 0.00 O ATOM 300 CB ALA A 20 -5.988 -4.816 -12.395 1.00 0.00 C ATOM 0 H ALA A 20 -6.542 -3.320 -10.451 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.277 -6.193 -10.785 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.496 -5.544 -13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.051 -4.780 -12.634 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.546 -3.833 -12.556 1.00 0.00 H new ATOM 306 N ALA A 21 -3.715 -4.247 -10.196 1.00 0.00 N ATOM 307 CA ALA A 21 -2.300 -4.241 -9.844 1.00 0.00 C ATOM 308 C ALA A 21 -1.940 -5.455 -8.994 1.00 0.00 C ATOM 309 O ALA A 21 -1.015 -6.200 -9.319 1.00 0.00 O ATOM 310 CB ALA A 21 -1.945 -2.956 -9.110 1.00 0.00 C ATOM 0 H ALA A 21 -4.178 -3.343 -10.099 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.721 -4.292 -10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.886 -2.965 -8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.156 -2.100 -9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.539 -2.881 -8.199 1.00 0.00 H new ATOM 316 N PHE A 22 -2.676 -5.648 -7.905 1.00 0.00 N ATOM 317 CA PHE A 22 -2.433 -6.771 -7.007 1.00 0.00 C ATOM 318 C PHE A 22 -3.670 -7.658 -6.898 1.00 0.00 C ATOM 319 O PHE A 22 -3.577 -8.882 -6.980 1.00 0.00 O ATOM 320 CB PHE A 22 -2.031 -6.265 -5.620 1.00 0.00 C ATOM 321 CG PHE A 22 -0.814 -5.386 -5.633 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.442 -5.921 -5.871 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.925 -4.023 -5.406 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.564 -5.115 -5.883 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.194 -3.212 -5.418 1.00 0.00 C ATOM 326 CZ PHE A 22 1.440 -3.758 -5.655 1.00 0.00 C ATOM 0 H PHE A 22 -3.446 -5.041 -7.623 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.617 -7.364 -7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.865 -5.711 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.845 -7.120 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.545 -6.981 -6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.896 -3.590 -5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.537 -5.545 -6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.094 -2.151 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.316 -3.126 -5.662 1.00 0.00 H new ATOM 336 N GLN A 23 -4.827 -7.030 -6.713 1.00 0.00 N ATOM 337 CA GLN A 23 -6.082 -7.762 -6.592 1.00 0.00 C ATOM 338 C GLN A 23 -6.192 -8.431 -5.225 1.00 0.00 C ATOM 339 O GLN A 23 -6.396 -9.640 -5.113 1.00 0.00 O ATOM 340 CB GLN A 23 -6.192 -8.814 -7.697 1.00 0.00 C ATOM 341 CG GLN A 23 -5.741 -8.313 -9.060 1.00 0.00 C ATOM 342 CD GLN A 23 -5.537 -9.438 -10.056 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.499 -10.025 -10.552 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.280 -9.743 -10.356 1.00 0.00 N ATOM 0 H GLN A 23 -4.921 -6.017 -6.644 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.900 -7.049 -6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.593 -9.682 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.227 -9.149 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.483 -7.617 -9.451 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.810 -7.757 -8.949 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.513 -9.230 -9.921 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.081 -10.490 -11.021 1.00 0.00 H new ATOM 353 N PRO A 24 -6.054 -7.628 -4.160 1.00 0.00 N ATOM 354 CA PRO A 24 -6.135 -8.120 -2.782 1.00 0.00 C ATOM 355 C PRO A 24 -7.548 -8.546 -2.400 1.00 0.00 C ATOM 356 O PRO A 24 -8.457 -8.530 -3.230 1.00 0.00 O ATOM 357 CB PRO A 24 -5.696 -6.913 -1.948 1.00 0.00 C ATOM 358 CG PRO A 24 -6.012 -5.731 -2.798 1.00 0.00 C ATOM 359 CD PRO A 24 -5.809 -6.177 -4.219 1.00 0.00 C ATOM 0 HA PRO A 24 -5.520 -9.007 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.230 -6.872 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.632 -6.959 -1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.037 -5.397 -2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.361 -4.891 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.501 -5.680 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.802 -5.954 -4.570 1.00 0.00 H new ATOM 367 N VAL A 25 -7.727 -8.926 -1.139 1.00 0.00 N ATOM 368 CA VAL A 25 -9.030 -9.355 -0.647 1.00 0.00 C ATOM 369 C VAL A 25 -9.851 -8.167 -0.157 1.00 0.00 C ATOM 370 O VAL A 25 -11.079 -8.169 -0.244 1.00 0.00 O ATOM 371 CB VAL A 25 -8.890 -10.375 0.499 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.190 -9.744 1.693 1.00 0.00 C ATOM 373 CG2 VAL A 25 -10.254 -10.920 0.896 1.00 0.00 C ATOM 0 H VAL A 25 -6.985 -8.945 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.544 -9.828 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.279 -11.207 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.100 -10.479 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.197 -9.407 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.771 -8.892 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.137 -11.639 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.891 -10.100 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.713 -11.412 0.038 1.00 0.00 H new ATOM 383 N PHE A 26 -9.164 -7.152 0.357 1.00 0.00 N ATOM 384 CA PHE A 26 -9.829 -5.956 0.862 1.00 0.00 C ATOM 385 C PHE A 26 -9.230 -4.698 0.241 1.00 0.00 C ATOM 386 O PHE A 26 -8.043 -4.657 -0.085 1.00 0.00 O ATOM 387 CB PHE A 26 -9.717 -5.889 2.386 1.00 0.00 C ATOM 388 CG PHE A 26 -10.636 -4.879 3.011 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.918 -5.233 3.396 1.00 0.00 C ATOM 390 CD2 PHE A 26 -10.217 -3.573 3.212 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.766 -4.306 3.972 1.00 0.00 C ATOM 392 CE2 PHE A 26 -11.060 -2.641 3.787 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.337 -3.007 4.167 1.00 0.00 C ATOM 0 H PHE A 26 -8.147 -7.134 0.435 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.882 -6.011 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.935 -6.873 2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.689 -5.649 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.260 -6.246 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.220 -3.281 2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.763 -4.597 4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.721 -1.627 3.939 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.998 -2.280 4.615 1.00 0.00 H new ATOM 403 N LEU A 27 -10.059 -3.673 0.079 1.00 0.00 N ATOM 404 CA LEU A 27 -9.613 -2.412 -0.503 1.00 0.00 C ATOM 405 C LEU A 27 -10.525 -1.264 -0.082 1.00 0.00 C ATOM 406 O LEU A 27 -11.748 -1.401 -0.079 1.00 0.00 O ATOM 407 CB LEU A 27 -9.577 -2.516 -2.029 1.00 0.00 C ATOM 408 CG LEU A 27 -8.515 -1.672 -2.734 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.154 -2.344 -2.648 1.00 0.00 C ATOM 410 CD2 LEU A 27 -8.903 -1.432 -4.186 1.00 0.00 C ATOM 0 H LEU A 27 -11.044 -3.690 0.343 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.608 -2.207 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.420 -3.560 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.555 -2.230 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.452 -0.707 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.411 -1.728 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.873 -2.463 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.201 -3.323 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.136 -0.830 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.994 -2.388 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.857 -0.906 -4.226 1.00 0.00 H new ATOM 422 N GLU A 28 -9.922 -0.134 0.270 1.00 0.00 N ATOM 423 CA GLU A 28 -10.681 1.038 0.692 1.00 0.00 C ATOM 424 C GLU A 28 -9.781 2.267 0.782 1.00 0.00 C ATOM 425 O GLU A 28 -8.561 2.149 0.902 1.00 0.00 O ATOM 426 CB GLU A 28 -11.349 0.781 2.044 1.00 0.00 C ATOM 427 CG GLU A 28 -12.099 1.984 2.591 1.00 0.00 C ATOM 428 CD GLU A 28 -13.221 2.437 1.676 1.00 0.00 C ATOM 429 OE1 GLU A 28 -14.102 1.608 1.364 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.219 3.618 1.273 1.00 0.00 O ATOM 0 H GLU A 28 -8.910 -0.004 0.272 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.451 1.228 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.042 -0.054 1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.588 0.480 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.511 1.737 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.400 2.807 2.738 1.00 0.00 H new ATOM 437 N VAL A 29 -10.391 3.446 0.721 1.00 0.00 N ATOM 438 CA VAL A 29 -9.646 4.697 0.796 1.00 0.00 C ATOM 439 C VAL A 29 -10.376 5.721 1.658 1.00 0.00 C ATOM 440 O VAL A 29 -11.605 5.785 1.657 1.00 0.00 O ATOM 441 CB VAL A 29 -9.411 5.295 -0.604 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.583 6.567 -0.509 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.737 4.277 -1.511 1.00 0.00 C ATOM 0 H VAL A 29 -11.399 3.561 0.620 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.683 4.465 1.250 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.378 5.551 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.427 6.975 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.109 7.299 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.618 6.340 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.578 4.716 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.777 3.988 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.372 3.396 -1.604 1.00 0.00 H new ATOM 453 N VAL A 30 -9.610 6.521 2.394 1.00 0.00 N ATOM 454 CA VAL A 30 -10.184 7.543 3.260 1.00 0.00 C ATOM 455 C VAL A 30 -9.706 8.934 2.859 1.00 0.00 C ATOM 456 O VAL A 30 -8.517 9.243 2.945 1.00 0.00 O ATOM 457 CB VAL A 30 -9.824 7.295 4.737 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.207 8.495 5.589 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.502 6.031 5.245 1.00 0.00 C ATOM 0 H VAL A 30 -8.591 6.480 2.407 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.266 7.485 3.143 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.745 7.157 4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.945 8.301 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.671 9.377 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.280 8.669 5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.237 5.871 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.583 6.138 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.172 5.178 4.652 1.00 0.00 H new ATOM 469 N ASP A 31 -10.641 9.771 2.421 1.00 0.00 N ATOM 470 CA ASP A 31 -10.316 11.131 2.007 1.00 0.00 C ATOM 471 C ASP A 31 -10.607 12.124 3.128 1.00 0.00 C ATOM 472 O ASP A 31 -11.758 12.312 3.520 1.00 0.00 O ATOM 473 CB ASP A 31 -11.108 11.510 0.755 1.00 0.00 C ATOM 474 CG ASP A 31 -12.482 10.869 0.724 1.00 0.00 C ATOM 475 OD1 ASP A 31 -12.555 9.623 0.696 1.00 0.00 O ATOM 476 OD2 ASP A 31 -13.485 11.615 0.728 1.00 0.00 O ATOM 0 H ASP A 31 -11.629 9.531 2.344 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.251 11.170 1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.215 12.594 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.549 11.208 -0.131 1.00 0.00 H new ATOM 481 N GLU A 32 -9.556 12.756 3.640 1.00 0.00 N ATOM 482 CA GLU A 32 -9.700 13.728 4.718 1.00 0.00 C ATOM 483 C GLU A 32 -8.897 14.992 4.422 1.00 0.00 C ATOM 484 O GLU A 32 -7.784 15.163 4.919 1.00 0.00 O ATOM 485 CB GLU A 32 -9.245 13.121 6.047 1.00 0.00 C ATOM 486 CG GLU A 32 -9.975 11.839 6.412 1.00 0.00 C ATOM 487 CD GLU A 32 -11.232 12.093 7.220 1.00 0.00 C ATOM 488 OE1 GLU A 32 -11.145 12.799 8.247 1.00 0.00 O ATOM 489 OE2 GLU A 32 -12.303 11.587 6.826 1.00 0.00 O ATOM 0 H GLU A 32 -8.596 12.613 3.326 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.754 13.997 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.175 12.918 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.394 13.853 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.236 11.302 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.306 11.194 6.981 1.00 0.00 H new ATOM 686 N PHE A 46 -3.731 11.525 3.383 1.00 0.00 N ATOM 687 CA PHE A 46 -4.424 10.481 2.637 1.00 0.00 C ATOM 688 C PHE A 46 -4.150 9.107 3.241 1.00 0.00 C ATOM 689 O PHE A 46 -3.013 8.783 3.583 1.00 0.00 O ATOM 690 CB PHE A 46 -3.992 10.501 1.169 1.00 0.00 C ATOM 691 CG PHE A 46 -5.058 10.023 0.224 1.00 0.00 C ATOM 692 CD1 PHE A 46 -6.046 10.887 -0.220 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.071 8.711 -0.220 1.00 0.00 C ATOM 694 CE1 PHE A 46 -7.028 10.450 -1.089 1.00 0.00 C ATOM 695 CE2 PHE A 46 -6.050 8.268 -1.090 1.00 0.00 C ATOM 696 CZ PHE A 46 -7.029 9.139 -1.525 1.00 0.00 C ATOM 0 HA PHE A 46 -5.495 10.677 2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.705 11.517 0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.106 9.877 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.049 11.913 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.307 8.026 0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.794 11.133 -1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.049 7.242 -1.429 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.795 8.796 -2.205 1.00 0.00 H new ATOM 706 N LYS A 47 -5.200 8.304 3.371 1.00 0.00 N ATOM 707 CA LYS A 47 -5.075 6.965 3.933 1.00 0.00 C ATOM 708 C LYS A 47 -5.705 5.926 3.010 1.00 0.00 C ATOM 709 O LYS A 47 -6.745 6.173 2.399 1.00 0.00 O ATOM 710 CB LYS A 47 -5.735 6.904 5.312 1.00 0.00 C ATOM 711 CG LYS A 47 -5.408 5.640 6.088 1.00 0.00 C ATOM 712 CD LYS A 47 -6.544 5.246 7.016 1.00 0.00 C ATOM 713 CE LYS A 47 -7.523 4.306 6.330 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.710 4.021 7.183 1.00 0.00 N ATOM 0 H LYS A 47 -6.148 8.558 3.094 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.014 6.739 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.420 7.770 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.816 6.977 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.207 4.826 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.499 5.794 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.138 4.764 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.070 6.141 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.850 4.747 5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.018 3.371 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.505 3.723 6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.480 3.261 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.974 4.879 7.708 1.00 0.00 H new ATOM 728 N VAL A 48 -5.069 4.763 2.914 1.00 0.00 N ATOM 729 CA VAL A 48 -5.568 3.686 2.067 1.00 0.00 C ATOM 730 C VAL A 48 -5.431 2.334 2.759 1.00 0.00 C ATOM 731 O VAL A 48 -4.386 2.019 3.328 1.00 0.00 O ATOM 732 CB VAL A 48 -4.823 3.639 0.720 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.221 2.400 -0.067 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.094 4.901 -0.083 1.00 0.00 C ATOM 0 H VAL A 48 -4.207 4.542 3.412 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.622 3.892 1.883 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.753 3.586 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.685 2.384 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.970 1.508 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.294 2.419 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.560 4.850 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.164 4.988 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.753 5.770 0.479 1.00 0.00 H new ATOM 744 N VAL A 49 -6.494 1.538 2.707 1.00 0.00 N ATOM 745 CA VAL A 49 -6.493 0.219 3.327 1.00 0.00 C ATOM 746 C VAL A 49 -6.417 -0.883 2.276 1.00 0.00 C ATOM 747 O VAL A 49 -7.099 -0.827 1.252 1.00 0.00 O ATOM 748 CB VAL A 49 -7.749 0.003 4.191 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.755 -1.397 4.786 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.830 1.057 5.286 1.00 0.00 C ATOM 0 H VAL A 49 -7.368 1.784 2.241 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.610 0.171 3.964 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.628 0.104 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.650 -1.530 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.748 -2.134 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.871 -1.531 5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.724 0.889 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.947 0.990 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.877 2.048 4.834 1.00 0.00 H new ATOM 760 N LEU A 50 -5.584 -1.885 2.536 1.00 0.00 N ATOM 761 CA LEU A 50 -5.419 -3.002 1.612 1.00 0.00 C ATOM 762 C LEU A 50 -4.879 -4.231 2.336 1.00 0.00 C ATOM 763 O LEU A 50 -3.717 -4.265 2.741 1.00 0.00 O ATOM 764 CB LEU A 50 -4.477 -2.611 0.472 1.00 0.00 C ATOM 765 CG LEU A 50 -4.201 -3.694 -0.571 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.909 -3.068 -1.926 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.043 -4.577 -0.129 1.00 0.00 C ATOM 0 H LEU A 50 -5.013 -1.947 3.379 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.397 -3.248 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.896 -1.743 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.526 -2.300 0.904 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.091 -4.316 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.715 -3.854 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.768 -2.479 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.035 -2.422 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.860 -5.342 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.147 -3.968 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.291 -5.054 0.819 1.00 0.00 H new ATOM 779 N VAL A 51 -5.729 -5.241 2.492 1.00 0.00 N ATOM 780 CA VAL A 51 -5.337 -6.474 3.163 1.00 0.00 C ATOM 781 C VAL A 51 -4.712 -7.459 2.181 1.00 0.00 C ATOM 782 O VAL A 51 -5.318 -7.811 1.169 1.00 0.00 O ATOM 783 CB VAL A 51 -6.540 -7.146 3.852 1.00 0.00 C ATOM 784 CG1 VAL A 51 -6.172 -8.543 4.327 1.00 0.00 C ATOM 785 CG2 VAL A 51 -7.034 -6.292 5.010 1.00 0.00 C ATOM 0 H VAL A 51 -6.694 -5.229 2.162 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.601 -6.202 3.919 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.348 -7.237 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.034 -9.002 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.870 -9.150 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.348 -8.480 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.884 -6.781 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.233 -6.168 5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.340 -5.315 4.637 1.00 0.00 H new ATOM 795 N SER A 52 -3.497 -7.902 2.488 1.00 0.00 N ATOM 796 CA SER A 52 -2.788 -8.844 1.631 1.00 0.00 C ATOM 797 C SER A 52 -1.781 -9.660 2.436 1.00 0.00 C ATOM 798 O SER A 52 -1.333 -9.236 3.501 1.00 0.00 O ATOM 799 CB SER A 52 -2.073 -8.101 0.501 1.00 0.00 C ATOM 800 OG SER A 52 -2.913 -7.964 -0.632 1.00 0.00 O ATOM 0 H SER A 52 -2.983 -7.623 3.324 1.00 0.00 H new ATOM 0 HA SER A 52 -3.521 -9.527 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.763 -7.116 0.849 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.168 -8.640 0.223 1.00 0.00 H new ATOM 0 HG SER A 52 -2.433 -7.484 -1.339 1.00 0.00 H new ATOM 806 N ASP A 53 -1.430 -10.832 1.919 1.00 0.00 N ATOM 807 CA ASP A 53 -0.475 -11.708 2.589 1.00 0.00 C ATOM 808 C ASP A 53 0.946 -11.429 2.109 1.00 0.00 C ATOM 809 O ASP A 53 1.903 -11.540 2.876 1.00 0.00 O ATOM 810 CB ASP A 53 -0.833 -13.174 2.339 1.00 0.00 C ATOM 811 CG ASP A 53 0.383 -14.078 2.359 1.00 0.00 C ATOM 812 OD1 ASP A 53 1.282 -13.846 3.195 1.00 0.00 O ATOM 813 OD2 ASP A 53 0.436 -15.019 1.540 1.00 0.00 O ATOM 0 H ASP A 53 -1.792 -11.198 1.038 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.524 -11.508 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.542 -13.506 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.333 -13.264 1.375 1.00 0.00 H new ATOM 818 N ARG A 54 1.076 -11.069 0.837 1.00 0.00 N ATOM 819 CA ARG A 54 2.380 -10.777 0.255 1.00 0.00 C ATOM 820 C ARG A 54 3.249 -9.993 1.234 1.00 0.00 C ATOM 821 O ARG A 54 4.478 -10.038 1.162 1.00 0.00 O ATOM 822 CB ARG A 54 2.217 -9.987 -1.045 1.00 0.00 C ATOM 823 CG ARG A 54 1.701 -10.822 -2.205 1.00 0.00 C ATOM 824 CD ARG A 54 2.769 -11.770 -2.728 1.00 0.00 C ATOM 825 NE ARG A 54 2.221 -12.754 -3.657 1.00 0.00 N ATOM 826 CZ ARG A 54 2.803 -13.918 -3.923 1.00 0.00 C ATOM 827 NH1 ARG A 54 3.946 -14.241 -3.333 1.00 0.00 N ATOM 828 NH2 ARG A 54 2.242 -14.761 -4.780 1.00 0.00 N ATOM 0 H ARG A 54 0.294 -10.972 0.189 1.00 0.00 H new ATOM 0 HA ARG A 54 2.873 -11.724 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.531 -9.157 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.179 -9.554 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.831 -11.394 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.371 -10.165 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.550 -11.196 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.238 -12.285 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 54 1.343 -12.536 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.380 -13.595 -2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.391 -15.135 -3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.363 -14.516 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.690 -15.655 -4.984 1.00 0.00 H new ATOM 842 N PHE A 55 2.603 -9.276 2.147 1.00 0.00 N ATOM 843 CA PHE A 55 3.317 -8.481 3.140 1.00 0.00 C ATOM 844 C PHE A 55 3.628 -9.312 4.381 1.00 0.00 C ATOM 845 O PHE A 55 3.532 -8.827 5.508 1.00 0.00 O ATOM 846 CB PHE A 55 2.492 -7.252 3.529 1.00 0.00 C ATOM 847 CG PHE A 55 1.932 -6.509 2.350 1.00 0.00 C ATOM 848 CD1 PHE A 55 2.756 -6.114 1.308 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.582 -6.204 2.285 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.243 -5.430 0.222 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.064 -5.521 1.201 1.00 0.00 C ATOM 852 CZ PHE A 55 0.895 -5.132 0.169 1.00 0.00 C ATOM 0 H PHE A 55 1.587 -9.229 2.220 1.00 0.00 H new ATOM 0 HA PHE A 55 4.258 -8.154 2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.671 -7.565 4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.116 -6.575 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.811 -6.343 1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.073 -6.503 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.895 -5.129 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.991 -5.292 1.161 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.492 -4.596 -0.678 1.00 0.00 H new ATOM 961 N ASN A 62 10.452 -1.794 2.256 1.00 0.00 N ATOM 962 CA ASN A 62 10.292 -2.351 0.917 1.00 0.00 C ATOM 963 C ASN A 62 8.816 -2.513 0.567 1.00 0.00 C ATOM 964 O ASN A 62 8.362 -2.053 -0.481 1.00 0.00 O ATOM 965 CB ASN A 62 11.003 -3.702 0.816 1.00 0.00 C ATOM 966 CG ASN A 62 10.480 -4.547 -0.329 1.00 0.00 C ATOM 967 OD1 ASN A 62 10.290 -4.055 -1.442 1.00 0.00 O ATOM 968 ND2 ASN A 62 10.243 -5.825 -0.061 1.00 0.00 N ATOM 0 HA ASN A 62 10.741 -1.657 0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.072 -3.538 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.878 -4.246 1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.889 -6.442 -0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.415 -6.190 0.876 1.00 0.00 H new ATOM 975 N ARG A 63 8.073 -3.169 1.452 1.00 0.00 N ATOM 976 CA ARG A 63 6.648 -3.393 1.237 1.00 0.00 C ATOM 977 C ARG A 63 6.001 -2.179 0.577 1.00 0.00 C ATOM 978 O ARG A 63 5.266 -2.310 -0.403 1.00 0.00 O ATOM 979 CB ARG A 63 5.952 -3.696 2.565 1.00 0.00 C ATOM 980 CG ARG A 63 4.435 -3.632 2.486 1.00 0.00 C ATOM 981 CD ARG A 63 3.788 -4.171 3.752 1.00 0.00 C ATOM 982 NE ARG A 63 3.720 -3.160 4.805 1.00 0.00 N ATOM 983 CZ ARG A 63 3.225 -3.393 6.015 1.00 0.00 C ATOM 984 NH1 ARG A 63 2.757 -4.594 6.324 1.00 0.00 N ATOM 985 NH2 ARG A 63 3.197 -2.422 6.919 1.00 0.00 N ATOM 0 H ARG A 63 8.434 -3.555 2.325 1.00 0.00 H new ATOM 0 HA ARG A 63 6.536 -4.250 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.248 -4.689 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.298 -2.987 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.121 -2.600 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.090 -4.207 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.783 -4.524 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.354 -5.031 4.111 1.00 0.00 H new ATOM 0 HE ARG A 63 4.072 -2.225 4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.776 -5.343 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.377 -4.770 7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.556 -1.496 6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.817 -2.601 7.848 1.00 0.00 H new ATOM 999 N HIS A 64 6.279 -0.998 1.120 1.00 0.00 N ATOM 1000 CA HIS A 64 5.724 0.240 0.583 1.00 0.00 C ATOM 1001 C HIS A 64 6.174 0.457 -0.859 1.00 0.00 C ATOM 1002 O HIS A 64 5.368 0.789 -1.727 1.00 0.00 O ATOM 1003 CB HIS A 64 6.147 1.429 1.446 1.00 0.00 C ATOM 1004 CG HIS A 64 6.035 1.172 2.917 1.00 0.00 C ATOM 1005 ND1 HIS A 64 7.083 1.353 3.795 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.989 0.746 3.664 1.00 0.00 C ATOM 1007 CE1 HIS A 64 6.687 1.048 5.018 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.421 0.677 4.966 1.00 0.00 N ATOM 0 H HIS A 64 6.885 -0.872 1.931 1.00 0.00 H new ATOM 0 HA HIS A 64 4.637 0.158 0.597 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.178 1.691 1.209 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.532 2.291 1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.000 0.505 3.303 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.296 1.094 5.909 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.855 0.386 5.763 1.00 0.00 H new ATOM 1017 N ARG A 65 7.467 0.268 -1.105 1.00 0.00 N ATOM 1018 CA ARG A 65 8.024 0.446 -2.440 1.00 0.00 C ATOM 1019 C ARG A 65 7.080 -0.112 -3.502 1.00 0.00 C ATOM 1020 O ARG A 65 6.651 0.607 -4.404 1.00 0.00 O ATOM 1021 CB ARG A 65 9.386 -0.243 -2.543 1.00 0.00 C ATOM 1022 CG ARG A 65 10.412 0.287 -1.554 1.00 0.00 C ATOM 1023 CD ARG A 65 11.733 -0.459 -1.668 1.00 0.00 C ATOM 1024 NE ARG A 65 12.517 -0.011 -2.815 1.00 0.00 N ATOM 1025 CZ ARG A 65 13.067 1.195 -2.904 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.920 2.069 -1.918 1.00 0.00 N ATOM 1027 NH2 ARG A 65 13.767 1.528 -3.981 1.00 0.00 N ATOM 0 H ARG A 65 8.148 -0.008 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 65 8.150 1.515 -2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.256 -1.313 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.771 -0.119 -3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.576 1.350 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.025 0.191 -0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.311 -0.314 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.539 -1.528 -1.757 1.00 0.00 H new ATOM 0 HE ARG A 65 12.650 -0.660 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.383 1.816 -1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.343 2.994 -1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.883 0.858 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.189 2.454 -4.049 1.00 0.00 H new ATOM 1041 N MET A 66 6.761 -1.396 -3.387 1.00 0.00 N ATOM 1042 CA MET A 66 5.867 -2.049 -4.336 1.00 0.00 C ATOM 1043 C MET A 66 4.625 -1.200 -4.586 1.00 0.00 C ATOM 1044 O MET A 66 4.326 -0.840 -5.725 1.00 0.00 O ATOM 1045 CB MET A 66 5.459 -3.430 -3.819 1.00 0.00 C ATOM 1046 CG MET A 66 6.640 -4.330 -3.491 1.00 0.00 C ATOM 1047 SD MET A 66 6.170 -6.063 -3.334 1.00 0.00 S ATOM 1048 CE MET A 66 6.073 -6.227 -1.553 1.00 0.00 C ATOM 0 H MET A 66 7.108 -2.005 -2.646 1.00 0.00 H new ATOM 0 HA MET A 66 6.402 -2.165 -5.279 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.847 -3.308 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.836 -3.920 -4.568 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.395 -4.232 -4.271 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.099 -3.996 -2.560 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.791 -7.248 -1.296 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.043 -5.997 -1.113 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.325 -5.536 -1.164 1.00 0.00 H new ATOM 1058 N ILE A 67 3.905 -0.883 -3.515 1.00 0.00 N ATOM 1059 CA ILE A 67 2.696 -0.075 -3.619 1.00 0.00 C ATOM 1060 C ILE A 67 2.968 1.229 -4.361 1.00 0.00 C ATOM 1061 O ILE A 67 2.274 1.566 -5.321 1.00 0.00 O ATOM 1062 CB ILE A 67 2.114 0.249 -2.231 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.859 -1.039 -1.446 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.831 1.054 -2.369 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.915 -1.994 -2.143 1.00 0.00 C ATOM 0 H ILE A 67 4.138 -1.173 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 67 1.970 -0.664 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 67 2.839 0.849 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.810 -1.543 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.449 -0.784 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.432 1.275 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.041 1.987 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.099 0.478 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.780 -2.885 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.049 -1.508 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.333 -2.278 -3.109 1.00 0.00 H new ATOM 1077 N TYR A 68 3.984 1.957 -3.913 1.00 0.00 N ATOM 1078 CA TYR A 68 4.349 3.225 -4.534 1.00 0.00 C ATOM 1079 C TYR A 68 4.530 3.062 -6.040 1.00 0.00 C ATOM 1080 O TYR A 68 4.005 3.848 -6.828 1.00 0.00 O ATOM 1081 CB TYR A 68 5.635 3.771 -3.910 1.00 0.00 C ATOM 1082 CG TYR A 68 5.457 4.267 -2.493 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.377 5.071 -2.148 1.00 0.00 C ATOM 1084 CD2 TYR A 68 6.369 3.934 -1.500 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.211 5.527 -0.855 1.00 0.00 C ATOM 1086 CE2 TYR A 68 6.210 4.384 -0.204 1.00 0.00 C ATOM 1087 CZ TYR A 68 5.130 5.181 0.114 1.00 0.00 C ATOM 1088 OH TYR A 68 4.969 5.633 1.404 1.00 0.00 O ATOM 0 H TYR A 68 4.570 1.691 -3.122 1.00 0.00 H new ATOM 0 HA TYR A 68 3.539 3.933 -4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.394 2.989 -3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.010 4.587 -4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.655 5.344 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.217 3.312 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.366 6.151 -0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.927 4.113 0.556 1.00 0.00 H new ATOM 0 HH TYR A 68 5.702 5.298 1.962 1.00 0.00 H new ATOM 1098 N SER A 69 5.277 2.034 -6.431 1.00 0.00 N ATOM 1099 CA SER A 69 5.531 1.767 -7.842 1.00 0.00 C ATOM 1100 C SER A 69 4.243 1.864 -8.654 1.00 0.00 C ATOM 1101 O SER A 69 4.230 2.408 -9.759 1.00 0.00 O ATOM 1102 CB SER A 69 6.154 0.381 -8.017 1.00 0.00 C ATOM 1103 OG SER A 69 6.476 0.134 -9.375 1.00 0.00 O ATOM 0 H SER A 69 5.717 1.373 -5.791 1.00 0.00 H new ATOM 0 HA SER A 69 6.229 2.520 -8.208 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.054 0.304 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.461 -0.381 -7.660 1.00 0.00 H new ATOM 0 HG SER A 69 6.874 -0.757 -9.460 1.00 0.00 H new ATOM 1109 N THR A 70 3.159 1.332 -8.098 1.00 0.00 N ATOM 1110 CA THR A 70 1.865 1.357 -8.769 1.00 0.00 C ATOM 1111 C THR A 70 1.397 2.788 -9.008 1.00 0.00 C ATOM 1112 O THR A 70 1.049 3.158 -10.130 1.00 0.00 O ATOM 1113 CB THR A 70 0.795 0.609 -7.953 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.197 -0.750 -7.746 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.550 0.642 -8.664 1.00 0.00 C ATOM 0 H THR A 70 3.152 0.878 -7.184 1.00 0.00 H new ATOM 0 HA THR A 70 1.997 0.856 -9.728 1.00 0.00 H new ATOM 0 HB THR A 70 0.691 1.108 -6.989 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.696 -1.128 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.290 0.107 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.868 1.677 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.457 0.166 -9.640 1.00 0.00 H new ATOM 1123 N LEU A 71 1.392 3.589 -7.949 1.00 0.00 N ATOM 1124 CA LEU A 71 0.967 4.981 -8.044 1.00 0.00 C ATOM 1125 C LEU A 71 2.159 5.924 -7.915 1.00 0.00 C ATOM 1126 O LEU A 71 2.057 6.990 -7.308 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.065 5.295 -6.960 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.304 4.399 -6.934 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.916 4.376 -5.541 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.325 4.871 -7.959 1.00 0.00 C ATOM 0 H LEU A 71 1.678 3.298 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 71 0.513 5.130 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.426 5.230 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.390 6.328 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.001 3.384 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.797 3.734 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.186 3.991 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.205 5.387 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.200 4.222 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.624 5.894 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.884 4.836 -8.955 1.00 0.00 H new ATOM 1142 N ALA A 72 3.288 5.525 -8.493 1.00 0.00 N ATOM 1143 CA ALA A 72 4.498 6.337 -8.447 1.00 0.00 C ATOM 1144 C ALA A 72 4.190 7.800 -8.747 1.00 0.00 C ATOM 1145 O ALA A 72 4.434 8.677 -7.920 1.00 0.00 O ATOM 1146 CB ALA A 72 5.530 5.801 -9.427 1.00 0.00 C ATOM 0 H ALA A 72 3.390 4.645 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 72 4.906 6.279 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.428 6.417 -9.382 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.781 4.773 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.121 5.828 -10.437 1.00 0.00 H new ATOM 1152 N GLU A 73 3.653 8.054 -9.936 1.00 0.00 N ATOM 1153 CA GLU A 73 3.313 9.412 -10.345 1.00 0.00 C ATOM 1154 C GLU A 73 1.912 9.789 -9.872 1.00 0.00 C ATOM 1155 O GLU A 73 1.713 10.843 -9.269 1.00 0.00 O ATOM 1156 CB GLU A 73 3.402 9.548 -11.867 1.00 0.00 C ATOM 1157 CG GLU A 73 4.827 9.641 -12.387 1.00 0.00 C ATOM 1158 CD GLU A 73 5.749 8.620 -11.750 1.00 0.00 C ATOM 1159 OE1 GLU A 73 5.594 7.416 -12.043 1.00 0.00 O ATOM 1160 OE2 GLU A 73 6.626 9.026 -10.959 1.00 0.00 O ATOM 0 H GLU A 73 3.444 7.338 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 73 4.029 10.092 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.911 8.692 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.852 10.437 -12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.825 9.499 -13.468 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.214 10.642 -12.198 1.00 0.00 H new ATOM 1167 N GLU A 74 0.946 8.920 -10.150 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.436 9.162 -9.754 1.00 0.00 C ATOM 1169 C GLU A 74 -0.501 9.808 -8.372 1.00 0.00 C ATOM 1170 O GLU A 74 -1.174 10.821 -8.179 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.228 7.852 -9.754 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.250 7.155 -11.104 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.937 7.980 -12.175 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.093 8.398 -11.951 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -1.320 8.208 -13.236 1.00 0.00 O ATOM 0 H GLU A 74 1.095 8.042 -10.648 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.879 9.846 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.799 7.178 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.253 8.056 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.227 6.941 -11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.760 6.197 -11.006 1.00 0.00 H new ATOM 1182 N LEU A 75 0.203 9.214 -7.415 1.00 0.00 N ATOM 1183 CA LEU A 75 0.227 9.730 -6.051 1.00 0.00 C ATOM 1184 C LEU A 75 1.001 11.042 -5.978 1.00 0.00 C ATOM 1185 O LEU A 75 0.693 11.912 -5.163 1.00 0.00 O ATOM 1186 CB LEU A 75 0.852 8.702 -5.106 1.00 0.00 C ATOM 1187 CG LEU A 75 2.375 8.578 -5.163 1.00 0.00 C ATOM 1188 CD1 LEU A 75 3.028 9.600 -4.246 1.00 0.00 C ATOM 1189 CD2 LEU A 75 2.809 7.169 -4.789 1.00 0.00 C ATOM 0 H LEU A 75 0.765 8.375 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.801 9.919 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.566 8.955 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.419 7.726 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 75 2.699 8.777 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.112 9.497 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.743 10.604 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.698 9.432 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.896 7.099 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.473 6.941 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.370 6.456 -5.486 1.00 0.00 H new ATOM 1201 N SER A 76 2.007 11.178 -6.837 1.00 0.00 N ATOM 1202 CA SER A 76 2.827 12.384 -6.869 1.00 0.00 C ATOM 1203 C SER A 76 2.151 13.479 -7.688 1.00 0.00 C ATOM 1204 O SER A 76 2.792 14.442 -8.110 1.00 0.00 O ATOM 1205 CB SER A 76 4.206 12.072 -7.453 1.00 0.00 C ATOM 1206 OG SER A 76 5.126 13.113 -7.171 1.00 0.00 O ATOM 0 H SER A 76 2.274 10.468 -7.520 1.00 0.00 H new ATOM 0 HA SER A 76 2.945 12.741 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.576 11.134 -7.040 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.125 11.936 -8.531 1.00 0.00 H new ATOM 0 HG SER A 76 4.713 13.978 -7.374 1.00 0.00 H new ATOM 1212 N THR A 77 0.849 13.325 -7.911 1.00 0.00 N ATOM 1213 CA THR A 77 0.085 14.299 -8.680 1.00 0.00 C ATOM 1214 C THR A 77 -0.434 15.420 -7.787 1.00 0.00 C ATOM 1215 O THR A 77 -0.034 16.576 -7.928 1.00 0.00 O ATOM 1216 CB THR A 77 -1.107 13.637 -9.398 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.639 12.606 -10.275 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.898 14.664 -10.193 1.00 0.00 C ATOM 0 H THR A 77 0.302 12.535 -7.570 1.00 0.00 H new ATOM 0 HA THR A 77 0.763 14.716 -9.425 1.00 0.00 H new ATOM 0 HB THR A 77 -1.762 13.202 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.045 12.074 -9.818 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.734 14.173 -10.691 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.277 15.432 -9.519 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.250 15.124 -10.940 1.00 0.00 H new ATOM 1226 N THR A 78 -1.327 15.071 -6.866 1.00 0.00 N ATOM 1227 CA THR A 78 -1.901 16.049 -5.950 1.00 0.00 C ATOM 1228 C THR A 78 -1.761 15.594 -4.502 1.00 0.00 C ATOM 1229 O THR A 78 -1.655 16.414 -3.590 1.00 0.00 O ATOM 1230 CB THR A 78 -3.390 16.298 -6.255 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.937 17.221 -5.307 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.177 14.996 -6.216 1.00 0.00 C ATOM 0 H THR A 78 -1.668 14.119 -6.735 1.00 0.00 H new ATOM 0 HA THR A 78 -1.348 16.977 -6.092 1.00 0.00 H new ATOM 0 HB THR A 78 -3.466 16.720 -7.257 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.884 17.375 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.226 15.198 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.777 14.307 -6.960 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.092 14.549 -5.225 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.760 14.281 -4.296 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.630 13.716 -2.958 1.00 0.00 C ATOM 1242 C VAL A 79 -0.178 13.730 -2.494 1.00 0.00 C ATOM 1243 O VAL A 79 0.661 12.999 -3.023 1.00 0.00 O ATOM 1244 CB VAL A 79 -2.161 12.271 -2.904 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.853 11.639 -1.556 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.655 12.242 -3.187 1.00 0.00 C ATOM 0 H VAL A 79 -1.848 13.588 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.227 14.339 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.657 11.688 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.236 10.619 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.775 11.625 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.328 12.220 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.013 11.213 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.178 12.840 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.845 12.652 -4.179 1.00 0.00 H new ATOM 1256 N HIS A 80 0.113 14.566 -1.503 1.00 0.00 N ATOM 1257 CA HIS A 80 1.465 14.674 -0.966 1.00 0.00 C ATOM 1258 C HIS A 80 1.754 13.539 0.011 1.00 0.00 C ATOM 1259 O HIS A 80 2.585 12.671 -0.258 1.00 0.00 O ATOM 1260 CB HIS A 80 1.654 16.022 -0.270 1.00 0.00 C ATOM 1261 CG HIS A 80 2.970 16.155 0.432 1.00 0.00 C ATOM 1262 ND1 HIS A 80 3.112 16.783 1.652 1.00 0.00 N ATOM 1263 CD2 HIS A 80 4.207 15.735 0.080 1.00 0.00 C ATOM 1264 CE1 HIS A 80 4.381 16.745 2.019 1.00 0.00 C ATOM 1265 NE2 HIS A 80 5.066 16.114 1.082 1.00 0.00 N ATOM 0 H HIS A 80 -0.569 15.179 -1.055 1.00 0.00 H new ATOM 0 HA HIS A 80 2.166 14.601 -1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 80 1.564 16.819 -1.008 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.850 16.164 0.452 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.470 15.201 -0.821 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.788 17.159 2.929 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.070 15.937 1.100 1.00 0.00 H new ATOM 1274 N ALA A 81 1.064 13.552 1.147 1.00 0.00 N ATOM 1275 CA ALA A 81 1.246 12.523 2.164 1.00 0.00 C ATOM 1276 C ALA A 81 0.322 11.336 1.915 1.00 0.00 C ATOM 1277 O ALA A 81 -0.703 11.464 1.244 1.00 0.00 O ATOM 1278 CB ALA A 81 1.004 13.102 3.550 1.00 0.00 C ATOM 0 H ALA A 81 0.374 14.264 1.386 1.00 0.00 H new ATOM 0 HA ALA A 81 2.275 12.167 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.143 12.323 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.709 13.912 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.014 13.486 3.611 1.00 0.00 H new ATOM 1284 N LEU A 82 0.691 10.181 2.458 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.105 8.970 2.294 1.00 0.00 C ATOM 1286 C LEU A 82 0.318 7.901 3.296 1.00 0.00 C ATOM 1287 O LEU A 82 1.490 7.536 3.372 1.00 0.00 O ATOM 1288 CB LEU A 82 0.035 8.432 0.869 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.447 6.999 0.641 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -1.941 6.890 0.906 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -0.120 6.545 -0.774 1.00 0.00 C ATOM 0 H LEU A 82 1.536 10.058 3.016 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.149 9.224 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.517 9.090 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.085 8.491 0.582 1.00 0.00 H new ATOM 0 HG LEU A 82 0.074 6.345 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.266 5.863 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.149 7.173 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.480 7.556 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.470 5.523 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.613 7.202 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.958 6.584 -0.929 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.647 7.401 4.063 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.375 6.371 5.057 1.00 0.00 C ATOM 1305 C ALA A 83 -0.915 5.018 4.607 1.00 0.00 C ATOM 1306 O ALA A 83 -2.112 4.748 4.716 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.977 6.762 6.399 1.00 0.00 C ATOM 0 H ALA A 83 -1.623 7.693 4.014 1.00 0.00 H new ATOM 0 HA ALA A 83 0.706 6.283 5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.767 5.984 7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.541 7.703 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.056 6.879 6.294 1.00 0.00 H new ATOM 1313 N LEU A 84 -0.026 4.170 4.101 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.413 2.844 3.634 1.00 0.00 C ATOM 1315 C LEU A 84 -0.638 1.896 4.808 1.00 0.00 C ATOM 1316 O LEU A 84 0.290 1.586 5.555 1.00 0.00 O ATOM 1317 CB LEU A 84 0.660 2.276 2.704 1.00 0.00 C ATOM 1318 CG LEU A 84 1.016 3.131 1.487 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.199 2.534 0.742 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.185 3.269 0.563 1.00 0.00 C ATOM 0 H LEU A 84 0.968 4.378 4.004 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.349 2.939 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.567 2.113 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.327 1.300 2.352 1.00 0.00 H new ATOM 0 HG LEU A 84 1.297 4.125 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.437 3.156 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.062 2.489 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.947 1.528 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.086 3.880 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.498 2.282 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.005 3.744 1.101 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.876 1.438 4.963 1.00 0.00 N ATOM 1333 CA HIS A 85 -2.223 0.524 6.045 1.00 0.00 C ATOM 1334 C HIS A 85 -2.443 -0.889 5.513 1.00 0.00 C ATOM 1335 O HIS A 85 -3.579 -1.317 5.308 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.478 1.010 6.770 1.00 0.00 C ATOM 1337 CG HIS A 85 -3.199 2.023 7.837 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -2.398 1.766 8.929 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.619 3.303 7.973 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -2.339 2.842 9.692 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -3.071 3.790 9.134 1.00 0.00 N ATOM 0 H HIS A 85 -2.655 1.685 4.353 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.392 0.503 6.750 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.164 1.442 6.041 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.984 0.154 7.217 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.265 3.841 7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.786 2.932 10.615 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -3.207 4.730 9.505 1.00 0.00 H new ATOM 1350 N THR A 86 -1.348 -1.609 5.289 1.00 0.00 N ATOM 1351 CA THR A 86 -1.422 -2.973 4.778 1.00 0.00 C ATOM 1352 C THR A 86 -1.423 -3.987 5.917 1.00 0.00 C ATOM 1353 O THR A 86 -0.420 -4.157 6.611 1.00 0.00 O ATOM 1354 CB THR A 86 -0.246 -3.282 3.832 1.00 0.00 C ATOM 1355 OG1 THR A 86 0.991 -2.906 4.448 1.00 0.00 O ATOM 1356 CG2 THR A 86 -0.406 -2.543 2.512 1.00 0.00 C ATOM 0 H THR A 86 -0.400 -1.271 5.453 1.00 0.00 H new ATOM 0 HA THR A 86 -2.357 -3.053 4.223 1.00 0.00 H new ATOM 0 HB THR A 86 -0.241 -4.354 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.513 -2.358 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.436 -2.776 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.334 -2.853 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.435 -1.469 2.697 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.553 -4.659 6.103 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.685 -5.656 7.158 1.00 0.00 C ATOM 1366 C TYR A 87 -2.902 -7.046 6.571 1.00 0.00 C ATOM 1367 O TYR A 87 -3.708 -7.229 5.657 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.846 -5.295 8.087 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.565 -4.103 8.973 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -3.182 -2.883 8.428 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.681 -4.196 10.354 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.924 -1.791 9.234 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.426 -3.108 11.167 1.00 0.00 C ATOM 1374 CZ TYR A 87 -3.048 -1.908 10.603 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.791 -0.823 11.409 1.00 0.00 O ATOM 0 H TYR A 87 -3.391 -4.531 5.536 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.758 -5.665 7.732 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.731 -5.089 7.485 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.080 -6.156 8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.084 -2.787 7.357 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.975 -5.135 10.800 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.627 -0.850 8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.522 -3.197 12.239 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.926 -1.073 12.347 1.00 0.00 H new ATOM 1385 N THR A 88 -2.178 -8.026 7.102 1.00 0.00 N ATOM 1386 CA THR A 88 -2.289 -9.401 6.631 1.00 0.00 C ATOM 1387 C THR A 88 -3.617 -10.020 7.051 1.00 0.00 C ATOM 1388 O THR A 88 -4.343 -9.457 7.871 1.00 0.00 O ATOM 1389 CB THR A 88 -1.137 -10.273 7.165 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.271 -10.448 8.580 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.210 -9.640 6.853 1.00 0.00 C ATOM 0 H THR A 88 -1.508 -7.893 7.859 1.00 0.00 H new ATOM 0 HA THR A 88 -2.235 -9.368 5.543 1.00 0.00 H new ATOM 0 HB THR A 88 -1.187 -11.244 6.673 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.472 -11.387 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.008 -10.274 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.321 -9.534 5.774 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.268 -8.658 7.322 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.929 -11.181 6.485 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.169 -11.877 6.804 1.00 0.00 C ATOM 1401 C ILE A 89 -5.359 -12.000 8.312 1.00 0.00 C ATOM 1402 O ILE A 89 -6.431 -11.703 8.840 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.203 -13.283 6.177 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.068 -13.191 4.656 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.489 -14.002 6.557 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.633 -13.145 4.179 1.00 0.00 C ATOM 0 H ILE A 89 -3.340 -11.659 5.803 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.981 -11.282 6.386 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.361 -13.857 6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.566 -14.048 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.588 -12.299 4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.498 -14.994 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.547 -14.096 7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.345 -13.432 6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.613 -13.080 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.136 -12.273 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.114 -14.049 4.498 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.311 -12.438 9.001 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.360 -12.598 10.449 1.00 0.00 C ATOM 1420 C LYS A 90 -4.365 -11.241 11.146 1.00 0.00 C ATOM 1421 O LYS A 90 -5.202 -10.981 12.010 1.00 0.00 O ATOM 1422 CB LYS A 90 -3.167 -13.426 10.932 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.745 -13.112 12.357 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.787 -13.573 13.362 1.00 0.00 C ATOM 1425 CE LYS A 90 -3.250 -13.525 14.784 1.00 0.00 C ATOM 1426 NZ LYS A 90 -2.131 -14.487 14.987 1.00 0.00 N ATOM 0 H LYS A 90 -3.417 -12.689 8.579 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.283 -13.120 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.418 -14.484 10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.322 -13.253 10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.793 -13.597 12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.587 -12.039 12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.672 -12.942 13.285 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.099 -14.590 13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.906 -12.515 15.008 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.055 -13.751 15.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.995 -14.652 16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.358 -15.387 14.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.258 -14.095 14.580 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.427 -10.380 10.764 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.326 -9.050 11.353 1.00 0.00 C ATOM 1442 C GLU A 91 -4.704 -8.410 11.492 1.00 0.00 C ATOM 1443 O GLU A 91 -4.970 -7.687 12.451 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.421 -8.158 10.501 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.948 -8.264 10.861 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.677 -7.924 12.313 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -1.520 -7.239 12.930 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.378 -8.343 12.833 1.00 0.00 O ATOM 0 H GLU A 91 -2.727 -10.580 10.050 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.891 -9.153 12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.550 -8.422 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.739 -7.121 10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.600 -9.277 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.372 -7.595 10.221 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.575 -8.682 10.527 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.926 -8.132 10.541 1.00 0.00 C ATOM 1457 C TRP A 92 -7.831 -8.935 11.469 1.00 0.00 C ATOM 1458 O TRP A 92 -8.624 -8.367 12.220 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.509 -8.120 9.126 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.615 -7.125 8.948 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.852 -7.361 8.420 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.583 -5.737 9.296 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -10.591 -6.202 8.419 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.835 -5.192 8.951 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.619 -4.901 9.866 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -10.146 -3.851 9.159 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.928 -3.570 10.071 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -9.183 -3.055 9.719 1.00 0.00 C ATOM 0 H TRP A 92 -5.371 -9.279 9.726 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.871 -7.109 10.913 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.713 -7.899 8.415 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.883 -9.115 8.886 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -10.199 -8.317 8.057 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -11.548 -6.109 8.077 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.649 -5.289 10.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -11.113 -3.453 8.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.190 -2.915 10.510 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -9.395 -2.010 9.893 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.706 -10.257 11.413 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.514 -11.136 12.250 1.00 0.00 C ATOM 1481 C GLU A 93 -8.601 -10.601 13.677 1.00 0.00 C ATOM 1482 O GLU A 93 -9.564 -10.869 14.394 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.928 -12.550 12.259 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.134 -13.302 10.955 1.00 0.00 C ATOM 1485 CD GLU A 93 -8.241 -14.801 11.156 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -7.494 -15.340 12.000 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -9.070 -15.435 10.472 1.00 0.00 O ATOM 0 H GLU A 93 -7.054 -10.743 10.797 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.520 -11.170 11.831 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.860 -12.490 12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.382 -13.117 13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.040 -12.939 10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.304 -13.088 10.282 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.587 -9.843 14.081 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.566 -9.282 15.419 1.00 0.00 C ATOM 1496 C GLY A 94 -6.437 -8.290 15.616 1.00 0.00 C ATOM 1497 O GLY A 94 -5.505 -8.542 16.381 1.00 0.00 O ATOM 0 H GLY A 94 -6.779 -9.607 13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.517 -8.788 15.617 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.468 -10.088 16.146 1.00 0.00 H new