USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 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 161:sc= -0.0741 (180deg=-0.532) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= -0.435 (180deg=-0.491) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.432 (180deg=-0.549) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 62 ASN : amide:sc= -0.0676 K(o=-0.068,f=-1.9!) USER MOD Single : A 64 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.2) USER MOD Single : A 66 MET CE :methyl -119:sc= -1.47 (180deg=-1.91) 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 76:sc= 1.18 USER MOD Single : A 76 SER OG : rot -42:sc= 0.687 USER MOD Single : A 77 THR OG1 : rot 111:sc= 0.381 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.00061) USER MOD Single : A 85 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.33) USER MOD Single : A 86 THR OG1 : rot 170:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.826 12.145 -9.454 1.00 0.00 N ATOM 84 CA MET A 9 -11.887 11.481 -8.157 1.00 0.00 C ATOM 85 C MET A 9 -10.652 10.616 -7.930 1.00 0.00 C ATOM 86 O MET A 9 -10.689 9.401 -8.124 1.00 0.00 O ATOM 87 CB MET A 9 -13.150 10.623 -8.059 1.00 0.00 C ATOM 88 CG MET A 9 -13.439 9.821 -9.317 1.00 0.00 C ATOM 89 SD MET A 9 -14.915 8.796 -9.164 1.00 0.00 S ATOM 90 CE MET A 9 -16.183 10.051 -9.004 1.00 0.00 C ATOM 0 HA MET A 9 -11.917 12.249 -7.384 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.050 9.939 -7.217 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.002 11.268 -7.846 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.561 10.503 -10.158 1.00 0.00 H new ATOM 0 HG3 MET A 9 -12.582 9.186 -9.543 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.156 9.617 -9.237 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.191 10.432 -7.983 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.975 10.868 -9.695 1.00 0.00 H new ATOM 100 N ILE A 10 -9.559 11.249 -7.518 1.00 0.00 N ATOM 101 CA ILE A 10 -8.313 10.537 -7.264 1.00 0.00 C ATOM 102 C ILE A 10 -8.571 9.218 -6.544 1.00 0.00 C ATOM 103 O ILE A 10 -8.098 8.164 -6.968 1.00 0.00 O ATOM 104 CB ILE A 10 -7.340 11.385 -6.424 1.00 0.00 C ATOM 105 CG1 ILE A 10 -6.964 12.663 -7.177 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.095 10.580 -6.082 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.420 12.409 -8.565 1.00 0.00 C ATOM 0 H ILE A 10 -9.511 12.254 -7.353 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.861 10.336 -8.235 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.835 11.665 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.843 13.303 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.220 13.210 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.417 11.193 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.379 9.696 -5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.596 10.274 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.175 13.359 -9.039 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.522 11.795 -8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.171 11.889 -9.160 1.00 0.00 H new ATOM 119 N ARG A 11 -9.326 9.284 -5.452 1.00 0.00 N ATOM 120 CA ARG A 11 -9.649 8.095 -4.673 1.00 0.00 C ATOM 121 C ARG A 11 -9.858 6.888 -5.583 1.00 0.00 C ATOM 122 O ARG A 11 -9.095 5.924 -5.536 1.00 0.00 O ATOM 123 CB ARG A 11 -10.903 8.336 -3.830 1.00 0.00 C ATOM 124 CG ARG A 11 -11.036 7.386 -2.651 1.00 0.00 C ATOM 125 CD ARG A 11 -11.682 6.073 -3.063 1.00 0.00 C ATOM 126 NE ARG A 11 -13.117 6.217 -3.293 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.835 5.363 -4.013 1.00 0.00 C ATOM 128 NH1 ARG A 11 -13.255 4.309 -4.570 1.00 0.00 N ATOM 129 NH2 ARG A 11 -15.137 5.562 -4.177 1.00 0.00 N ATOM 0 H ARG A 11 -9.725 10.149 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.809 7.887 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.890 9.361 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.783 8.238 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.051 7.191 -2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.632 7.856 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.205 5.703 -3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.512 5.326 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.594 7.017 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.255 4.152 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.809 3.655 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.587 6.372 -3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.688 4.905 -4.730 1.00 0.00 H new ATOM 143 N GLU A 12 -10.898 6.950 -6.409 1.00 0.00 N ATOM 144 CA GLU A 12 -11.208 5.862 -7.329 1.00 0.00 C ATOM 145 C GLU A 12 -9.986 5.491 -8.165 1.00 0.00 C ATOM 146 O GLU A 12 -9.642 4.316 -8.293 1.00 0.00 O ATOM 147 CB GLU A 12 -12.367 6.255 -8.247 1.00 0.00 C ATOM 148 CG GLU A 12 -13.735 5.909 -7.682 1.00 0.00 C ATOM 149 CD GLU A 12 -14.757 5.622 -8.764 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.354 5.171 -9.856 1.00 0.00 O ATOM 151 OE2 GLU A 12 -15.961 5.850 -8.519 1.00 0.00 O ATOM 0 H GLU A 12 -11.539 7.741 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.500 4.994 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.322 7.327 -8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.243 5.756 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.646 5.039 -7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.088 6.734 -7.064 1.00 0.00 H new ATOM 158 N ARG A 13 -9.335 6.502 -8.731 1.00 0.00 N ATOM 159 CA ARG A 13 -8.153 6.283 -9.556 1.00 0.00 C ATOM 160 C ARG A 13 -7.121 5.440 -8.814 1.00 0.00 C ATOM 161 O ARG A 13 -6.518 4.532 -9.387 1.00 0.00 O ATOM 162 CB ARG A 13 -7.536 7.622 -9.965 1.00 0.00 C ATOM 163 CG ARG A 13 -8.351 8.378 -11.001 1.00 0.00 C ATOM 164 CD ARG A 13 -7.518 9.442 -11.698 1.00 0.00 C ATOM 165 NE ARG A 13 -6.579 8.863 -12.654 1.00 0.00 N ATOM 166 CZ ARG A 13 -6.924 8.464 -13.873 1.00 0.00 C ATOM 167 NH1 ARG A 13 -8.180 8.581 -14.282 1.00 0.00 N ATOM 168 NH2 ARG A 13 -6.012 7.946 -14.687 1.00 0.00 N ATOM 0 H ARG A 13 -9.606 7.480 -8.633 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.460 5.744 -10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.423 8.246 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.536 7.446 -10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.741 7.678 -11.740 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.210 8.845 -10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.178 10.138 -12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.968 10.017 -10.953 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.605 8.759 -12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.884 8.978 -13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.442 8.274 -15.219 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.045 7.854 -14.377 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.279 7.640 -15.623 1.00 0.00 H new ATOM 182 N ILE A 14 -6.921 5.747 -7.536 1.00 0.00 N ATOM 183 CA ILE A 14 -5.963 5.018 -6.716 1.00 0.00 C ATOM 184 C ILE A 14 -6.306 3.533 -6.659 1.00 0.00 C ATOM 185 O ILE A 14 -5.601 2.701 -7.230 1.00 0.00 O ATOM 186 CB ILE A 14 -5.909 5.576 -5.282 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.506 7.052 -5.301 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.938 4.767 -4.435 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.512 7.697 -3.932 1.00 0.00 C ATOM 0 H ILE A 14 -7.411 6.496 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.987 5.146 -7.183 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.901 5.495 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.509 7.143 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.187 7.598 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.911 5.174 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.265 3.728 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.942 4.819 -4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.217 8.742 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.514 7.638 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.810 7.176 -3.281 1.00 0.00 H new ATOM 201 N GLU A 15 -7.394 3.208 -5.968 1.00 0.00 N ATOM 202 CA GLU A 15 -7.830 1.823 -5.838 1.00 0.00 C ATOM 203 C GLU A 15 -7.995 1.174 -7.209 1.00 0.00 C ATOM 204 O GLU A 15 -7.412 0.126 -7.484 1.00 0.00 O ATOM 205 CB GLU A 15 -9.149 1.752 -5.066 1.00 0.00 C ATOM 206 CG GLU A 15 -8.968 1.615 -3.563 1.00 0.00 C ATOM 207 CD GLU A 15 -10.285 1.452 -2.829 1.00 0.00 C ATOM 208 OE1 GLU A 15 -10.854 0.341 -2.872 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.748 2.435 -2.213 1.00 0.00 O ATOM 0 H GLU A 15 -7.989 3.885 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.064 1.277 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.730 2.651 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.730 0.905 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.331 0.755 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.450 2.495 -3.181 1.00 0.00 H new ATOM 216 N GLU A 16 -8.794 1.804 -8.064 1.00 0.00 N ATOM 217 CA GLU A 16 -9.036 1.287 -9.406 1.00 0.00 C ATOM 218 C GLU A 16 -7.788 0.608 -9.961 1.00 0.00 C ATOM 219 O GLU A 16 -7.876 -0.380 -10.690 1.00 0.00 O ATOM 220 CB GLU A 16 -9.474 2.417 -10.341 1.00 0.00 C ATOM 221 CG GLU A 16 -10.940 2.789 -10.200 1.00 0.00 C ATOM 222 CD GLU A 16 -11.856 1.851 -10.962 1.00 0.00 C ATOM 223 OE1 GLU A 16 -11.618 1.639 -12.169 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.811 1.329 -10.349 1.00 0.00 O ATOM 0 H GLU A 16 -9.285 2.673 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.834 0.547 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.864 3.298 -10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.281 2.120 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.213 2.780 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.089 3.807 -10.559 1.00 0.00 H new ATOM 231 N LYS A 17 -6.624 1.145 -9.611 1.00 0.00 N ATOM 232 CA LYS A 17 -5.356 0.592 -10.072 1.00 0.00 C ATOM 233 C LYS A 17 -4.952 -0.616 -9.233 1.00 0.00 C ATOM 234 O LYS A 17 -4.712 -1.701 -9.764 1.00 0.00 O ATOM 235 CB LYS A 17 -4.260 1.658 -10.012 1.00 0.00 C ATOM 236 CG LYS A 17 -4.168 2.508 -11.267 1.00 0.00 C ATOM 237 CD LYS A 17 -2.741 2.958 -11.534 1.00 0.00 C ATOM 238 CE LYS A 17 -2.022 2.001 -12.472 1.00 0.00 C ATOM 239 NZ LYS A 17 -1.267 0.956 -11.726 1.00 0.00 N ATOM 0 H LYS A 17 -6.533 1.963 -9.009 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.483 0.268 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.443 2.308 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.300 1.171 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.536 1.939 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.812 3.381 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.749 3.958 -11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.197 3.024 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.748 1.524 -13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.336 2.562 -13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.875 0.265 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.491 1.401 -11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.907 0.471 -11.064 1.00 0.00 H new ATOM 253 N LEU A 18 -4.880 -0.421 -7.921 1.00 0.00 N ATOM 254 CA LEU A 18 -4.506 -1.496 -7.008 1.00 0.00 C ATOM 255 C LEU A 18 -5.347 -2.743 -7.261 1.00 0.00 C ATOM 256 O LEU A 18 -4.824 -3.857 -7.307 1.00 0.00 O ATOM 257 CB LEU A 18 -4.674 -1.040 -5.557 1.00 0.00 C ATOM 258 CG LEU A 18 -3.980 0.269 -5.180 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.593 0.854 -3.918 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.486 0.047 -4.996 1.00 0.00 C ATOM 0 H LEU A 18 -5.075 0.471 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.460 -1.744 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.739 -0.935 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.299 -1.828 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.124 0.981 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.086 1.785 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.652 1.051 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.481 0.146 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.008 0.989 -4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.321 -0.682 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.056 -0.326 -5.926 1.00 0.00 H new ATOM 272 N ARG A 19 -6.651 -2.548 -7.428 1.00 0.00 N ATOM 273 CA ARG A 19 -7.564 -3.656 -7.678 1.00 0.00 C ATOM 274 C ARG A 19 -6.909 -4.709 -8.568 1.00 0.00 C ATOM 275 O ARG A 19 -6.799 -5.875 -8.190 1.00 0.00 O ATOM 276 CB ARG A 19 -8.850 -3.148 -8.332 1.00 0.00 C ATOM 277 CG ARG A 19 -9.855 -2.584 -7.341 1.00 0.00 C ATOM 278 CD ARG A 19 -11.280 -2.724 -7.852 1.00 0.00 C ATOM 279 NE ARG A 19 -11.433 -2.186 -9.201 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.429 -2.517 -10.016 1.00 0.00 C ATOM 281 NH1 ARG A 19 -13.355 -3.380 -9.620 1.00 0.00 N ATOM 282 NH2 ARG A 19 -12.500 -1.985 -11.229 1.00 0.00 N ATOM 0 H ARG A 19 -7.099 -1.632 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.809 -4.115 -6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.598 -2.377 -9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.315 -3.966 -8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.757 -3.102 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.635 -1.532 -7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.565 -3.776 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.960 -2.206 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.737 -1.520 -9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.304 -3.791 -8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.119 -3.632 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.790 -1.321 -11.537 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.265 -2.240 -11.854 1.00 0.00 H new ATOM 296 N ALA A 20 -6.478 -4.289 -9.753 1.00 0.00 N ATOM 297 CA ALA A 20 -5.834 -5.195 -10.696 1.00 0.00 C ATOM 298 C ALA A 20 -4.335 -5.288 -10.431 1.00 0.00 C ATOM 299 O ALA A 20 -3.694 -6.279 -10.779 1.00 0.00 O ATOM 300 CB ALA A 20 -6.091 -4.739 -12.125 1.00 0.00 C ATOM 0 H ALA A 20 -6.563 -3.327 -10.083 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.263 -6.187 -10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.604 -5.425 -12.819 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.164 -4.730 -12.317 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.689 -3.736 -12.265 1.00 0.00 H new ATOM 306 N ALA A 21 -3.782 -4.250 -9.812 1.00 0.00 N ATOM 307 CA ALA A 21 -2.359 -4.216 -9.499 1.00 0.00 C ATOM 308 C ALA A 21 -1.941 -5.454 -8.712 1.00 0.00 C ATOM 309 O ALA A 21 -1.108 -6.238 -9.165 1.00 0.00 O ATOM 310 CB ALA A 21 -2.019 -2.954 -8.721 1.00 0.00 C ATOM 0 H ALA A 21 -4.298 -3.421 -9.517 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.806 -4.210 -10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.953 -2.942 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.272 -2.079 -9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.588 -2.935 -7.791 1.00 0.00 H new ATOM 316 N PHE A 22 -2.523 -5.621 -7.529 1.00 0.00 N ATOM 317 CA PHE A 22 -2.209 -6.763 -6.677 1.00 0.00 C ATOM 318 C PHE A 22 -3.422 -7.676 -6.522 1.00 0.00 C ATOM 319 O PHE A 22 -3.293 -8.899 -6.510 1.00 0.00 O ATOM 320 CB PHE A 22 -1.737 -6.286 -5.303 1.00 0.00 C ATOM 321 CG PHE A 22 -0.621 -5.283 -5.367 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.697 -5.698 -5.473 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.889 -3.924 -5.321 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.726 -4.778 -5.533 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.136 -2.999 -5.381 1.00 0.00 C ATOM 326 CZ PHE A 22 1.445 -3.426 -5.486 1.00 0.00 C ATOM 0 H PHE A 22 -3.214 -4.981 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.408 -7.330 -7.152 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.580 -5.846 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.408 -7.147 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.923 -6.754 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.911 -3.584 -5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.749 -5.115 -5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.087 -1.943 -5.346 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.247 -2.705 -5.531 1.00 0.00 H new ATOM 336 N GLN A 23 -4.600 -7.070 -6.404 1.00 0.00 N ATOM 337 CA GLN A 23 -5.835 -7.828 -6.248 1.00 0.00 C ATOM 338 C GLN A 23 -5.914 -8.464 -4.864 1.00 0.00 C ATOM 339 O GLN A 23 -6.119 -9.669 -4.718 1.00 0.00 O ATOM 340 CB GLN A 23 -5.934 -8.910 -7.325 1.00 0.00 C ATOM 341 CG GLN A 23 -5.465 -8.448 -8.695 1.00 0.00 C ATOM 342 CD GLN A 23 -5.253 -9.600 -9.658 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.170 -10.003 -10.374 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.039 -10.138 -9.680 1.00 0.00 N ATOM 0 H GLN A 23 -4.724 -6.058 -6.414 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.671 -7.137 -6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.341 -9.772 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.969 -9.245 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.200 -7.760 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.533 -7.893 -8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.308 -9.773 -9.069 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.837 -10.916 -10.307 1.00 0.00 H new ATOM 353 N PRO A 24 -5.745 -7.636 -3.822 1.00 0.00 N ATOM 354 CA PRO A 24 -5.793 -8.095 -2.430 1.00 0.00 C ATOM 355 C PRO A 24 -7.198 -8.505 -2.003 1.00 0.00 C ATOM 356 O PRO A 24 -8.087 -8.676 -2.838 1.00 0.00 O ATOM 357 CB PRO A 24 -5.329 -6.871 -1.637 1.00 0.00 C ATOM 358 CG PRO A 24 -5.661 -5.708 -2.506 1.00 0.00 C ATOM 359 CD PRO A 24 -5.496 -6.188 -3.922 1.00 0.00 C ATOM 0 HA PRO A 24 -5.178 -8.981 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.839 -6.805 -0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.260 -6.917 -1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.680 -5.365 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.000 -4.866 -2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.203 -5.704 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.497 -5.977 -4.304 1.00 0.00 H new ATOM 367 N VAL A 25 -7.392 -8.662 -0.697 1.00 0.00 N ATOM 368 CA VAL A 25 -8.690 -9.051 -0.159 1.00 0.00 C ATOM 369 C VAL A 25 -9.472 -7.835 0.323 1.00 0.00 C ATOM 370 O VAL A 25 -10.649 -7.673 0.001 1.00 0.00 O ATOM 371 CB VAL A 25 -8.539 -10.046 1.007 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.853 -11.320 0.538 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.769 -9.408 2.154 1.00 0.00 C ATOM 0 H VAL A 25 -6.667 -8.526 0.007 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.237 -9.533 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.533 -10.310 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.755 -12.010 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.448 -11.785 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.864 -11.079 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.671 -10.124 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.778 -9.115 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.306 -8.527 2.507 1.00 0.00 H new ATOM 383 N PHE A 26 -8.810 -6.981 1.096 1.00 0.00 N ATOM 384 CA PHE A 26 -9.443 -5.778 1.624 1.00 0.00 C ATOM 385 C PHE A 26 -8.994 -4.542 0.848 1.00 0.00 C ATOM 386 O PHE A 26 -7.893 -4.507 0.298 1.00 0.00 O ATOM 387 CB PHE A 26 -9.111 -5.610 3.108 1.00 0.00 C ATOM 388 CG PHE A 26 -10.019 -4.650 3.821 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.318 -5.012 4.140 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.575 -3.385 4.172 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.157 -4.131 4.796 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.409 -2.500 4.828 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.702 -2.873 5.140 1.00 0.00 C ATOM 0 H PHE A 26 -7.835 -7.100 1.371 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.522 -5.886 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.168 -6.582 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.082 -5.264 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.679 -5.994 3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.565 -3.087 3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.167 -4.426 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.050 -1.517 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.356 -2.182 5.652 1.00 0.00 H new ATOM 403 N LEU A 27 -9.856 -3.532 0.808 1.00 0.00 N ATOM 404 CA LEU A 27 -9.550 -2.294 0.100 1.00 0.00 C ATOM 405 C LEU A 27 -10.446 -1.157 0.579 1.00 0.00 C ATOM 406 O LEU A 27 -11.665 -1.307 0.662 1.00 0.00 O ATOM 407 CB LEU A 27 -9.719 -2.491 -1.408 1.00 0.00 C ATOM 408 CG LEU A 27 -8.827 -1.629 -2.302 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.370 -2.040 -2.157 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.270 -1.730 -3.754 1.00 0.00 C ATOM 0 H LEU A 27 -10.772 -3.546 1.257 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.514 -2.029 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.528 -3.539 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.759 -2.291 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.923 -0.590 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.750 -1.416 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.058 -1.915 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.256 -3.085 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.624 -1.110 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.204 -2.767 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.300 -1.385 -3.845 1.00 0.00 H new ATOM 422 N GLU A 28 -9.834 -0.019 0.892 1.00 0.00 N ATOM 423 CA GLU A 28 -10.577 1.144 1.362 1.00 0.00 C ATOM 424 C GLU A 28 -9.682 2.379 1.413 1.00 0.00 C ATOM 425 O GLU A 28 -8.510 2.294 1.781 1.00 0.00 O ATOM 426 CB GLU A 28 -11.170 0.873 2.746 1.00 0.00 C ATOM 427 CG GLU A 28 -12.086 1.979 3.243 1.00 0.00 C ATOM 428 CD GLU A 28 -13.522 1.794 2.792 1.00 0.00 C ATOM 429 OE1 GLU A 28 -14.274 1.078 3.487 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.894 2.364 1.746 1.00 0.00 O ATOM 0 H GLU A 28 -8.826 0.122 0.829 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.387 1.333 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.728 -0.063 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.358 0.737 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.052 2.011 4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.717 2.940 2.884 1.00 0.00 H new ATOM 437 N VAL A 29 -10.242 3.525 1.040 1.00 0.00 N ATOM 438 CA VAL A 29 -9.495 4.777 1.043 1.00 0.00 C ATOM 439 C VAL A 29 -10.263 5.873 1.773 1.00 0.00 C ATOM 440 O VAL A 29 -11.473 6.020 1.598 1.00 0.00 O ATOM 441 CB VAL A 29 -9.186 5.250 -0.390 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.210 6.416 -0.369 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.638 4.101 -1.223 1.00 0.00 C ATOM 0 H VAL A 29 -11.210 3.612 0.732 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.557 4.585 1.564 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.114 5.592 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.004 6.736 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.645 7.244 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.281 6.104 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.425 4.453 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.721 3.727 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.375 3.299 -1.266 1.00 0.00 H new ATOM 453 N VAL A 30 -9.553 6.641 2.593 1.00 0.00 N ATOM 454 CA VAL A 30 -10.167 7.726 3.349 1.00 0.00 C ATOM 455 C VAL A 30 -9.728 9.085 2.816 1.00 0.00 C ATOM 456 O VAL A 30 -8.615 9.538 3.083 1.00 0.00 O ATOM 457 CB VAL A 30 -9.815 7.636 4.846 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.354 8.844 5.595 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.353 6.344 5.443 1.00 0.00 C ATOM 0 H VAL A 30 -8.551 6.532 2.751 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.246 7.624 3.230 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.730 7.631 4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.096 8.763 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.915 9.753 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.438 8.884 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.095 6.297 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.437 6.316 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.913 5.492 4.924 1.00 0.00 H new ATOM 469 N ASP A 31 -10.610 9.730 2.061 1.00 0.00 N ATOM 470 CA ASP A 31 -10.315 11.040 1.491 1.00 0.00 C ATOM 471 C ASP A 31 -10.808 12.155 2.407 1.00 0.00 C ATOM 472 O ASP A 31 -11.987 12.211 2.754 1.00 0.00 O ATOM 473 CB ASP A 31 -10.960 11.175 0.110 1.00 0.00 C ATOM 474 CG ASP A 31 -12.305 10.481 0.029 1.00 0.00 C ATOM 475 OD1 ASP A 31 -12.325 9.248 -0.172 1.00 0.00 O ATOM 476 OD2 ASP A 31 -13.338 11.169 0.165 1.00 0.00 O ATOM 0 H ASP A 31 -11.535 9.368 1.829 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.233 11.130 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.085 12.231 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.292 10.756 -0.642 1.00 0.00 H new ATOM 481 N GLU A 32 -9.895 13.040 2.797 1.00 0.00 N ATOM 482 CA GLU A 32 -10.238 14.153 3.675 1.00 0.00 C ATOM 483 C GLU A 32 -9.728 15.473 3.105 1.00 0.00 C ATOM 484 O GLU A 32 -8.571 15.842 3.304 1.00 0.00 O ATOM 485 CB GLU A 32 -9.653 13.928 5.071 1.00 0.00 C ATOM 486 CG GLU A 32 -10.111 12.634 5.722 1.00 0.00 C ATOM 487 CD GLU A 32 -11.420 12.789 6.471 1.00 0.00 C ATOM 488 OE1 GLU A 32 -11.661 13.881 7.026 1.00 0.00 O ATOM 489 OE2 GLU A 32 -12.204 11.817 6.500 1.00 0.00 O ATOM 0 H GLU A 32 -8.914 13.008 2.519 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.324 14.204 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.565 13.926 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.931 14.765 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.224 11.867 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.341 12.286 6.411 1.00 0.00 H new ATOM 686 N PHE A 46 -4.488 12.088 4.207 1.00 0.00 N ATOM 687 CA PHE A 46 -4.836 10.962 3.348 1.00 0.00 C ATOM 688 C PHE A 46 -4.433 9.640 3.994 1.00 0.00 C ATOM 689 O PHE A 46 -3.384 9.541 4.632 1.00 0.00 O ATOM 690 CB PHE A 46 -4.156 11.104 1.985 1.00 0.00 C ATOM 691 CG PHE A 46 -4.948 10.509 0.855 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.126 9.138 0.764 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.513 11.321 -0.115 1.00 0.00 C ATOM 694 CE1 PHE A 46 -5.854 8.587 -0.274 1.00 0.00 C ATOM 695 CE2 PHE A 46 -6.242 10.776 -1.155 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.412 9.407 -1.235 1.00 0.00 C ATOM 0 HA PHE A 46 -5.917 10.964 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.985 12.161 1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.178 10.625 2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.691 8.492 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.382 12.392 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.986 7.517 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.678 11.420 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.980 8.979 -2.048 1.00 0.00 H new ATOM 706 N LYS A 47 -5.275 8.625 3.825 1.00 0.00 N ATOM 707 CA LYS A 47 -5.008 7.308 4.390 1.00 0.00 C ATOM 708 C LYS A 47 -5.594 6.209 3.509 1.00 0.00 C ATOM 709 O LYS A 47 -6.761 6.266 3.121 1.00 0.00 O ATOM 710 CB LYS A 47 -5.591 7.208 5.802 1.00 0.00 C ATOM 711 CG LYS A 47 -5.371 5.856 6.457 1.00 0.00 C ATOM 712 CD LYS A 47 -6.488 5.519 7.431 1.00 0.00 C ATOM 713 CE LYS A 47 -7.625 4.781 6.741 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.765 4.531 7.667 1.00 0.00 N ATOM 0 H LYS A 47 -6.148 8.690 3.301 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.927 7.174 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.144 7.982 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.661 7.412 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.311 5.084 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.416 5.857 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.093 4.906 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.868 6.436 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.971 5.364 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.258 3.831 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.611 4.280 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.525 3.749 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.956 5.389 8.222 1.00 0.00 H new ATOM 728 N VAL A 48 -4.776 5.209 3.196 1.00 0.00 N ATOM 729 CA VAL A 48 -5.214 4.096 2.363 1.00 0.00 C ATOM 730 C VAL A 48 -5.027 2.764 3.081 1.00 0.00 C ATOM 731 O VAL A 48 -3.995 2.524 3.708 1.00 0.00 O ATOM 732 CB VAL A 48 -4.446 4.058 1.028 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.798 2.803 0.244 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.738 5.307 0.210 1.00 0.00 C ATOM 0 H VAL A 48 -3.807 5.147 3.507 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.274 4.251 2.161 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.378 4.034 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.246 2.794 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.533 1.922 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.868 2.792 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.187 5.263 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.806 5.364 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.430 6.189 0.771 1.00 0.00 H new ATOM 744 N VAL A 49 -6.033 1.901 2.987 1.00 0.00 N ATOM 745 CA VAL A 49 -5.980 0.592 3.626 1.00 0.00 C ATOM 746 C VAL A 49 -6.082 -0.528 2.597 1.00 0.00 C ATOM 747 O VAL A 49 -7.058 -0.612 1.849 1.00 0.00 O ATOM 748 CB VAL A 49 -7.109 0.427 4.662 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.071 -0.964 5.276 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.005 1.497 5.738 1.00 0.00 C ATOM 0 H VAL A 49 -6.895 2.085 2.474 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.018 0.527 4.134 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.066 0.547 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.875 -1.062 6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.198 -1.711 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.112 -1.117 5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.810 1.365 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.044 1.411 6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.086 2.483 5.280 1.00 0.00 H new ATOM 760 N LEU A 50 -5.070 -1.387 2.563 1.00 0.00 N ATOM 761 CA LEU A 50 -5.046 -2.504 1.625 1.00 0.00 C ATOM 762 C LEU A 50 -4.419 -3.739 2.264 1.00 0.00 C ATOM 763 O LEU A 50 -3.211 -3.785 2.498 1.00 0.00 O ATOM 764 CB LEU A 50 -4.270 -2.119 0.364 1.00 0.00 C ATOM 765 CG LEU A 50 -4.306 -3.131 -0.782 1.00 0.00 C ATOM 766 CD1 LEU A 50 -4.062 -2.439 -2.114 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.280 -4.232 -0.555 1.00 0.00 C ATOM 0 H LEU A 50 -4.255 -1.332 3.174 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.075 -2.741 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.661 -1.170 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.229 -1.949 0.640 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.297 -3.585 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.091 -3.175 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.835 -1.689 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.085 -1.956 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.320 -4.943 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.283 -3.795 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.501 -4.748 0.379 1.00 0.00 H new ATOM 779 N VAL A 51 -5.248 -4.740 2.543 1.00 0.00 N ATOM 780 CA VAL A 51 -4.775 -5.977 3.152 1.00 0.00 C ATOM 781 C VAL A 51 -4.349 -6.985 2.090 1.00 0.00 C ATOM 782 O VAL A 51 -5.171 -7.459 1.305 1.00 0.00 O ATOM 783 CB VAL A 51 -5.857 -6.614 4.044 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.409 -7.981 4.535 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.188 -5.700 5.214 1.00 0.00 C ATOM 0 H VAL A 51 -6.251 -4.718 2.357 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.914 -5.717 3.768 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.761 -6.747 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.187 -8.415 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.227 -8.633 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.491 -7.877 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.954 -6.166 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.291 -5.533 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.556 -4.746 4.837 1.00 0.00 H new ATOM 795 N SER A 52 -3.060 -7.309 2.072 1.00 0.00 N ATOM 796 CA SER A 52 -2.524 -8.259 1.104 1.00 0.00 C ATOM 797 C SER A 52 -1.527 -9.205 1.766 1.00 0.00 C ATOM 798 O SER A 52 -1.044 -8.943 2.868 1.00 0.00 O ATOM 799 CB SER A 52 -1.851 -7.517 -0.051 1.00 0.00 C ATOM 800 OG SER A 52 -1.495 -8.410 -1.093 1.00 0.00 O ATOM 0 H SER A 52 -2.368 -6.928 2.717 1.00 0.00 H new ATOM 0 HA SER A 52 -3.353 -8.849 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.525 -6.752 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.961 -7.004 0.312 1.00 0.00 H new ATOM 0 HG SER A 52 -1.068 -7.911 -1.820 1.00 0.00 H new ATOM 806 N ASP A 53 -1.225 -10.306 1.086 1.00 0.00 N ATOM 807 CA ASP A 53 -0.284 -11.292 1.607 1.00 0.00 C ATOM 808 C ASP A 53 1.154 -10.886 1.299 1.00 0.00 C ATOM 809 O ASP A 53 2.086 -11.295 1.992 1.00 0.00 O ATOM 810 CB ASP A 53 -0.577 -12.670 1.012 1.00 0.00 C ATOM 811 CG ASP A 53 -0.840 -12.613 -0.480 1.00 0.00 C ATOM 812 OD1 ASP A 53 0.138 -12.640 -1.256 1.00 0.00 O ATOM 813 OD2 ASP A 53 -2.023 -12.543 -0.871 1.00 0.00 O ATOM 0 H ASP A 53 -1.618 -10.538 0.174 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.405 -11.339 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.267 -13.332 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.442 -13.103 1.514 1.00 0.00 H new ATOM 818 N ARG A 54 1.326 -10.081 0.256 1.00 0.00 N ATOM 819 CA ARG A 54 2.651 -9.622 -0.144 1.00 0.00 C ATOM 820 C ARG A 54 3.411 -9.048 1.048 1.00 0.00 C ATOM 821 O ARG A 54 4.641 -9.016 1.055 1.00 0.00 O ATOM 822 CB ARG A 54 2.537 -8.567 -1.246 1.00 0.00 C ATOM 823 CG ARG A 54 1.880 -9.081 -2.516 1.00 0.00 C ATOM 824 CD ARG A 54 2.805 -10.011 -3.285 1.00 0.00 C ATOM 825 NE ARG A 54 3.659 -9.284 -4.220 1.00 0.00 N ATOM 826 CZ ARG A 54 4.500 -9.876 -5.061 1.00 0.00 C ATOM 827 NH1 ARG A 54 4.598 -11.198 -5.083 1.00 0.00 N ATOM 828 NH2 ARG A 54 5.244 -9.146 -5.882 1.00 0.00 N ATOM 0 H ARG A 54 0.565 -9.733 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 54 3.205 -10.479 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.965 -7.720 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.533 -8.196 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.960 -9.608 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.601 -8.239 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.427 -10.566 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.210 -10.743 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 54 3.607 -8.265 -4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.027 -11.762 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.244 -11.651 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.171 -8.129 -5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.889 -9.602 -6.527 1.00 0.00 H new ATOM 842 N PHE A 55 2.669 -8.596 2.054 1.00 0.00 N ATOM 843 CA PHE A 55 3.273 -8.022 3.251 1.00 0.00 C ATOM 844 C PHE A 55 3.596 -9.110 4.272 1.00 0.00 C ATOM 845 O PHE A 55 3.421 -8.919 5.476 1.00 0.00 O ATOM 846 CB PHE A 55 2.336 -6.985 3.873 1.00 0.00 C ATOM 847 CG PHE A 55 1.589 -6.167 2.858 1.00 0.00 C ATOM 848 CD1 PHE A 55 2.271 -5.459 1.882 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.205 -6.105 2.881 1.00 0.00 C ATOM 850 CE1 PHE A 55 1.587 -4.705 0.947 1.00 0.00 C ATOM 851 CE2 PHE A 55 -0.484 -5.354 1.949 1.00 0.00 C ATOM 852 CZ PHE A 55 0.208 -4.652 0.981 1.00 0.00 C ATOM 0 H PHE A 55 1.649 -8.616 2.064 1.00 0.00 H new ATOM 0 HA PHE A 55 4.203 -7.533 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.619 -7.495 4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.917 -6.318 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.350 -5.497 1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.341 -6.650 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.131 -4.158 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.563 -5.316 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.329 -4.063 0.252 1.00 0.00 H new ATOM 961 N ASN A 62 9.433 -3.311 1.538 1.00 0.00 N ATOM 962 CA ASN A 62 8.811 -4.002 0.414 1.00 0.00 C ATOM 963 C ASN A 62 7.350 -3.591 0.264 1.00 0.00 C ATOM 964 O ASN A 62 6.862 -3.391 -0.848 1.00 0.00 O ATOM 965 CB ASN A 62 8.909 -5.517 0.603 1.00 0.00 C ATOM 966 CG ASN A 62 10.253 -6.068 0.164 1.00 0.00 C ATOM 967 OD1 ASN A 62 11.097 -5.338 -0.354 1.00 0.00 O ATOM 968 ND2 ASN A 62 10.456 -7.364 0.372 1.00 0.00 N ATOM 0 HA ASN A 62 9.344 -3.720 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.744 -5.761 1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.116 -6.004 0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.341 -7.792 0.099 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.727 -7.931 0.805 1.00 0.00 H new ATOM 975 N ARG A 63 6.657 -3.466 1.391 1.00 0.00 N ATOM 976 CA ARG A 63 5.252 -3.079 1.386 1.00 0.00 C ATOM 977 C ARG A 63 5.050 -1.774 0.620 1.00 0.00 C ATOM 978 O ARG A 63 4.323 -1.731 -0.373 1.00 0.00 O ATOM 979 CB ARG A 63 4.737 -2.927 2.818 1.00 0.00 C ATOM 980 CG ARG A 63 4.970 -4.155 3.683 1.00 0.00 C ATOM 981 CD ARG A 63 5.147 -3.781 5.146 1.00 0.00 C ATOM 982 NE ARG A 63 3.873 -3.743 5.860 1.00 0.00 N ATOM 983 CZ ARG A 63 3.727 -3.228 7.075 1.00 0.00 C ATOM 984 NH1 ARG A 63 4.769 -2.708 7.708 1.00 0.00 N ATOM 985 NH2 ARG A 63 2.535 -3.230 7.659 1.00 0.00 N ATOM 0 H ARG A 63 7.046 -3.627 2.320 1.00 0.00 H new ATOM 0 HA ARG A 63 4.687 -3.865 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.224 -2.069 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.669 -2.710 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.127 -4.839 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.855 -4.686 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.810 -4.500 5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.630 -2.806 5.215 1.00 0.00 H new ATOM 0 HE ARG A 63 3.051 -4.133 5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.686 -2.703 7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.654 -2.313 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.730 -3.627 7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.424 -2.834 8.592 1.00 0.00 H new ATOM 999 N HIS A 64 5.698 -0.713 1.089 1.00 0.00 N ATOM 1000 CA HIS A 64 5.589 0.593 0.449 1.00 0.00 C ATOM 1001 C HIS A 64 5.999 0.514 -1.019 1.00 0.00 C ATOM 1002 O HIS A 64 5.232 0.885 -1.908 1.00 0.00 O ATOM 1003 CB HIS A 64 6.460 1.617 1.179 1.00 0.00 C ATOM 1004 CG HIS A 64 6.291 1.594 2.667 1.00 0.00 C ATOM 1005 ND1 HIS A 64 7.267 2.022 3.542 1.00 0.00 N ATOM 1006 CD2 HIS A 64 5.250 1.193 3.433 1.00 0.00 C ATOM 1007 CE1 HIS A 64 6.835 1.883 4.782 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.613 1.382 4.744 1.00 0.00 N ATOM 0 H HIS A 64 6.304 -0.732 1.909 1.00 0.00 H new ATOM 0 HA HIS A 64 4.547 0.910 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.506 1.430 0.937 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.221 2.614 0.810 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.309 0.798 3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.387 2.136 5.675 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.033 1.170 5.556 1.00 0.00 H new ATOM 1017 N ARG A 65 7.212 0.030 -1.265 1.00 0.00 N ATOM 1018 CA ARG A 65 7.723 -0.096 -2.624 1.00 0.00 C ATOM 1019 C ARG A 65 6.606 -0.474 -3.593 1.00 0.00 C ATOM 1020 O ARG A 65 6.216 0.322 -4.446 1.00 0.00 O ATOM 1021 CB ARG A 65 8.836 -1.144 -2.678 1.00 0.00 C ATOM 1022 CG ARG A 65 10.092 -0.738 -1.926 1.00 0.00 C ATOM 1023 CD ARG A 65 11.109 -1.869 -1.887 1.00 0.00 C ATOM 1024 NE ARG A 65 12.001 -1.842 -3.043 1.00 0.00 N ATOM 1025 CZ ARG A 65 13.145 -2.515 -3.104 1.00 0.00 C ATOM 1026 NH1 ARG A 65 13.532 -3.265 -2.082 1.00 0.00 N ATOM 1027 NH2 ARG A 65 13.903 -2.440 -4.191 1.00 0.00 N ATOM 0 H ARG A 65 7.859 -0.281 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 65 8.128 0.870 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.462 -2.080 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.093 -1.336 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.536 0.136 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.830 -0.447 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.698 -1.796 -0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.587 -2.825 -1.854 1.00 0.00 H new ATOM 0 HE ARG A 65 11.731 -1.276 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.951 -3.327 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.411 -3.781 -2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.607 -1.865 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.781 -2.957 -4.237 1.00 0.00 H new ATOM 1041 N MET A 66 6.097 -1.693 -3.454 1.00 0.00 N ATOM 1042 CA MET A 66 5.025 -2.176 -4.316 1.00 0.00 C ATOM 1043 C MET A 66 3.967 -1.097 -4.525 1.00 0.00 C ATOM 1044 O MET A 66 3.619 -0.768 -5.659 1.00 0.00 O ATOM 1045 CB MET A 66 4.381 -3.427 -3.714 1.00 0.00 C ATOM 1046 CG MET A 66 5.335 -4.604 -3.596 1.00 0.00 C ATOM 1047 SD MET A 66 4.544 -6.074 -2.915 1.00 0.00 S ATOM 1048 CE MET A 66 4.265 -5.555 -1.223 1.00 0.00 C ATOM 0 H MET A 66 6.409 -2.365 -2.753 1.00 0.00 H new ATOM 0 HA MET A 66 5.458 -2.429 -5.284 1.00 0.00 H new ATOM 0 HB2 MET A 66 3.991 -3.185 -2.725 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.530 -3.720 -4.329 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.741 -4.838 -4.580 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.176 -4.323 -2.963 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.806 -6.216 -0.546 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.620 -4.533 -1.093 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.199 -5.600 -1.000 1.00 0.00 H new ATOM 1058 N ILE A 67 3.462 -0.549 -3.425 1.00 0.00 N ATOM 1059 CA ILE A 67 2.445 0.493 -3.489 1.00 0.00 C ATOM 1060 C ILE A 67 2.910 1.663 -4.350 1.00 0.00 C ATOM 1061 O ILE A 67 2.452 1.836 -5.480 1.00 0.00 O ATOM 1062 CB ILE A 67 2.085 1.016 -2.086 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.614 -0.136 -1.195 1.00 0.00 C ATOM 1064 CG2 ILE A 67 1.014 2.092 -2.180 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.376 -0.833 -1.713 1.00 0.00 C ATOM 0 H ILE A 67 3.741 -0.809 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 67 1.560 0.042 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 67 2.976 1.457 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.419 -0.865 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.413 0.248 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.771 2.451 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.383 2.921 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.120 1.676 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.100 -1.638 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.443 -0.117 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.578 -1.247 -2.701 1.00 0.00 H new ATOM 1077 N TYR A 68 3.824 2.461 -3.810 1.00 0.00 N ATOM 1078 CA TYR A 68 4.352 3.615 -4.529 1.00 0.00 C ATOM 1079 C TYR A 68 4.611 3.273 -5.993 1.00 0.00 C ATOM 1080 O TYR A 68 4.003 3.850 -6.894 1.00 0.00 O ATOM 1081 CB TYR A 68 5.644 4.104 -3.871 1.00 0.00 C ATOM 1082 CG TYR A 68 5.449 4.620 -2.463 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.351 5.407 -2.137 1.00 0.00 C ATOM 1084 CD2 TYR A 68 6.362 4.320 -1.460 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.169 5.881 -0.852 1.00 0.00 C ATOM 1086 CE2 TYR A 68 6.187 4.789 -0.172 1.00 0.00 C ATOM 1087 CZ TYR A 68 5.090 5.568 0.127 1.00 0.00 C ATOM 1088 OH TYR A 68 4.913 6.038 1.408 1.00 0.00 O ATOM 0 H TYR A 68 4.215 2.330 -2.877 1.00 0.00 H new ATOM 0 HA TYR A 68 3.607 4.410 -4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.365 3.286 -3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.076 4.896 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.628 5.652 -2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.223 3.710 -1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.311 6.493 -0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.906 4.546 0.596 1.00 0.00 H new ATOM 0 HH TYR A 68 5.649 5.727 1.975 1.00 0.00 H new ATOM 1098 N SER A 69 5.519 2.329 -6.221 1.00 0.00 N ATOM 1099 CA SER A 69 5.862 1.910 -7.575 1.00 0.00 C ATOM 1100 C SER A 69 4.632 1.929 -8.478 1.00 0.00 C ATOM 1101 O SER A 69 4.678 2.434 -9.600 1.00 0.00 O ATOM 1102 CB SER A 69 6.476 0.509 -7.559 1.00 0.00 C ATOM 1103 OG SER A 69 6.985 0.160 -8.834 1.00 0.00 O ATOM 0 H SER A 69 6.030 1.840 -5.486 1.00 0.00 H new ATOM 0 HA SER A 69 6.593 2.614 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.277 0.468 -6.821 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.723 -0.218 -7.253 1.00 0.00 H new ATOM 0 HG SER A 69 7.373 -0.739 -8.796 1.00 0.00 H new ATOM 1109 N THR A 70 3.532 1.374 -7.980 1.00 0.00 N ATOM 1110 CA THR A 70 2.289 1.325 -8.740 1.00 0.00 C ATOM 1111 C THR A 70 1.784 2.727 -9.058 1.00 0.00 C ATOM 1112 O THR A 70 1.582 3.077 -10.222 1.00 0.00 O ATOM 1113 CB THR A 70 1.194 0.557 -7.976 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.668 -0.745 -7.616 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.065 0.429 -8.820 1.00 0.00 C ATOM 0 H THR A 70 3.476 0.952 -7.053 1.00 0.00 H new ATOM 0 HA THR A 70 2.507 0.801 -9.671 1.00 0.00 H new ATOM 0 HB THR A 70 0.952 1.117 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.283 -0.671 -6.857 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.824 -0.117 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.440 1.422 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.166 -0.110 -9.739 1.00 0.00 H new ATOM 1123 N LEU A 71 1.580 3.528 -8.018 1.00 0.00 N ATOM 1124 CA LEU A 71 1.098 4.894 -8.187 1.00 0.00 C ATOM 1125 C LEU A 71 2.261 5.881 -8.225 1.00 0.00 C ATOM 1126 O LEU A 71 2.131 7.026 -7.793 1.00 0.00 O ATOM 1127 CB LEU A 71 0.140 5.262 -7.053 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.023 4.297 -6.817 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.440 4.311 -5.355 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.200 4.651 -7.714 1.00 0.00 C ATOM 0 H LEU A 71 1.741 3.255 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 71 0.566 4.950 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.714 5.340 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.270 6.251 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.691 3.290 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.269 3.618 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.598 4.008 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.753 5.317 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.018 3.954 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.532 5.666 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.894 4.587 -8.758 1.00 0.00 H new ATOM 1142 N ALA A 72 3.397 5.430 -8.747 1.00 0.00 N ATOM 1143 CA ALA A 72 4.581 6.274 -8.846 1.00 0.00 C ATOM 1144 C ALA A 72 4.221 7.667 -9.352 1.00 0.00 C ATOM 1145 O ALA A 72 4.481 8.666 -8.683 1.00 0.00 O ATOM 1146 CB ALA A 72 5.614 5.629 -9.758 1.00 0.00 C ATOM 0 H ALA A 72 3.522 4.484 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 72 5.008 6.378 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.493 6.270 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.902 4.659 -9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.188 5.495 -10.753 1.00 0.00 H new ATOM 1152 N GLU A 73 3.624 7.724 -10.538 1.00 0.00 N ATOM 1153 CA GLU A 73 3.231 8.996 -11.134 1.00 0.00 C ATOM 1154 C GLU A 73 1.871 9.446 -10.607 1.00 0.00 C ATOM 1155 O GLU A 73 1.729 10.557 -10.097 1.00 0.00 O ATOM 1156 CB GLU A 73 3.186 8.878 -12.659 1.00 0.00 C ATOM 1157 CG GLU A 73 3.008 10.211 -13.367 1.00 0.00 C ATOM 1158 CD GLU A 73 2.917 10.063 -14.873 1.00 0.00 C ATOM 1159 OE1 GLU A 73 3.657 9.227 -15.433 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.106 10.783 -15.493 1.00 0.00 O ATOM 0 H GLU A 73 3.402 6.906 -11.105 1.00 0.00 H new ATOM 0 HA GLU A 73 3.974 9.743 -10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.108 8.412 -13.006 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.368 8.215 -12.940 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.105 10.697 -12.998 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.845 10.864 -13.120 1.00 0.00 H new ATOM 1167 N GLU A 74 0.875 8.575 -10.736 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.473 8.884 -10.275 1.00 0.00 C ATOM 1169 C GLU A 74 -0.438 9.577 -8.916 1.00 0.00 C ATOM 1170 O GLU A 74 -1.093 10.600 -8.712 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.311 7.606 -10.186 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.272 6.764 -11.450 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.695 7.541 -12.682 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.575 8.418 -12.556 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -1.147 7.272 -13.771 1.00 0.00 O ATOM 0 H GLU A 74 0.976 7.651 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.930 9.561 -10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.955 7.006 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.345 7.874 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.262 6.381 -11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.926 5.901 -11.327 1.00 0.00 H new ATOM 1182 N LEU A 75 0.330 9.014 -7.991 1.00 0.00 N ATOM 1183 CA LEU A 75 0.452 9.577 -6.651 1.00 0.00 C ATOM 1184 C LEU A 75 1.207 10.901 -6.683 1.00 0.00 C ATOM 1185 O LEU A 75 0.995 11.769 -5.835 1.00 0.00 O ATOM 1186 CB LEU A 75 1.167 8.591 -5.725 1.00 0.00 C ATOM 1187 CG LEU A 75 2.695 8.613 -5.774 1.00 0.00 C ATOM 1188 CD1 LEU A 75 3.240 9.747 -4.920 1.00 0.00 C ATOM 1189 CD2 LEU A 75 3.262 7.277 -5.315 1.00 0.00 C ATOM 0 H LEU A 75 0.878 8.168 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.552 9.762 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.853 8.792 -4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.830 7.584 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 75 3.004 8.782 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.329 9.747 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.861 10.698 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.922 9.610 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.351 7.310 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.943 7.079 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.898 6.484 -5.968 1.00 0.00 H new ATOM 1201 N SER A 76 2.087 11.051 -7.667 1.00 0.00 N ATOM 1202 CA SER A 76 2.876 12.270 -7.809 1.00 0.00 C ATOM 1203 C SER A 76 2.104 13.328 -8.591 1.00 0.00 C ATOM 1204 O SER A 76 2.682 14.294 -9.089 1.00 0.00 O ATOM 1205 CB SER A 76 4.201 11.966 -8.510 1.00 0.00 C ATOM 1206 OG SER A 76 5.054 13.098 -8.500 1.00 0.00 O ATOM 0 H SER A 76 2.272 10.344 -8.378 1.00 0.00 H new ATOM 0 HA SER A 76 3.082 12.659 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.695 11.130 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.010 11.659 -9.538 1.00 0.00 H new ATOM 0 HG SER A 76 4.532 13.903 -8.701 1.00 0.00 H new ATOM 1212 N THR A 77 0.792 13.138 -8.695 1.00 0.00 N ATOM 1213 CA THR A 77 -0.061 14.074 -9.417 1.00 0.00 C ATOM 1214 C THR A 77 -0.556 15.186 -8.500 1.00 0.00 C ATOM 1215 O THR A 77 -0.266 16.363 -8.720 1.00 0.00 O ATOM 1216 CB THR A 77 -1.275 13.361 -10.042 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.839 12.231 -10.807 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.060 14.310 -10.934 1.00 0.00 C ATOM 0 H THR A 77 0.297 12.344 -8.288 1.00 0.00 H new ATOM 0 HA THR A 77 0.546 14.506 -10.212 1.00 0.00 H new ATOM 0 HB THR A 77 -1.926 13.024 -9.235 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.115 11.405 -10.357 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.912 13.784 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.415 15.154 -10.343 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.416 14.673 -11.735 1.00 0.00 H new ATOM 1226 N THR A 78 -1.306 14.808 -7.470 1.00 0.00 N ATOM 1227 CA THR A 78 -1.843 15.773 -6.519 1.00 0.00 C ATOM 1228 C THR A 78 -1.560 15.347 -5.083 1.00 0.00 C ATOM 1229 O THR A 78 -1.312 16.183 -4.214 1.00 0.00 O ATOM 1230 CB THR A 78 -3.362 15.954 -6.699 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.879 16.808 -5.672 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.076 14.611 -6.655 1.00 0.00 C ATOM 0 H THR A 78 -1.556 13.839 -7.273 1.00 0.00 H new ATOM 0 HA THR A 78 -1.345 16.722 -6.718 1.00 0.00 H new ATOM 0 HB THR A 78 -3.538 16.410 -7.673 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.845 16.919 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.147 14.764 -6.784 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.701 13.973 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.891 14.132 -5.693 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.597 14.040 -4.840 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.342 13.503 -3.509 1.00 0.00 C ATOM 1242 C VAL A 79 0.125 13.657 -3.126 1.00 0.00 C ATOM 1243 O VAL A 79 1.016 13.182 -3.831 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.731 12.015 -3.421 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.241 11.411 -2.114 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.236 11.849 -3.564 1.00 0.00 C ATOM 0 H VAL A 79 -1.801 13.334 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.957 14.074 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.250 11.482 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.525 10.360 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.156 11.496 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.690 11.944 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.493 10.792 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.740 12.394 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.555 12.242 -4.529 1.00 0.00 H new ATOM 1256 N HIS A 80 0.371 14.324 -2.003 1.00 0.00 N ATOM 1257 CA HIS A 80 1.732 14.540 -1.524 1.00 0.00 C ATOM 1258 C HIS A 80 2.121 13.480 -0.498 1.00 0.00 C ATOM 1259 O HIS A 80 2.943 12.607 -0.775 1.00 0.00 O ATOM 1260 CB HIS A 80 1.863 15.934 -0.910 1.00 0.00 C ATOM 1261 CG HIS A 80 3.167 16.159 -0.208 1.00 0.00 C ATOM 1262 ND1 HIS A 80 4.390 15.909 -0.795 1.00 0.00 N ATOM 1263 CD2 HIS A 80 3.435 16.614 1.038 1.00 0.00 C ATOM 1264 CE1 HIS A 80 5.354 16.200 0.061 1.00 0.00 C ATOM 1265 NE2 HIS A 80 4.801 16.630 1.181 1.00 0.00 N ATOM 0 H HIS A 80 -0.354 14.724 -1.408 1.00 0.00 H new ATOM 0 HA HIS A 80 2.408 14.461 -2.375 1.00 0.00 H new ATOM 0 HB2 HIS A 80 1.749 16.680 -1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.048 16.089 -0.203 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.710 16.910 1.782 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.414 16.103 -0.124 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.306 16.926 2.016 1.00 0.00 H new ATOM 1274 N ALA A 81 1.527 13.565 0.688 1.00 0.00 N ATOM 1275 CA ALA A 81 1.811 12.613 1.755 1.00 0.00 C ATOM 1276 C ALA A 81 0.663 11.623 1.927 1.00 0.00 C ATOM 1277 O ALA A 81 -0.500 11.959 1.700 1.00 0.00 O ATOM 1278 CB ALA A 81 2.077 13.347 3.060 1.00 0.00 C ATOM 0 H ALA A 81 0.846 14.283 0.934 1.00 0.00 H new ATOM 0 HA ALA A 81 2.703 12.051 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.288 12.624 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.934 14.009 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.200 13.935 3.332 1.00 0.00 H new ATOM 1284 N LEU A 82 0.998 10.402 2.328 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.005 9.362 2.531 1.00 0.00 C ATOM 1286 C LEU A 82 0.445 8.372 3.600 1.00 0.00 C ATOM 1287 O LEU A 82 1.622 8.022 3.681 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.275 8.624 1.218 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.988 7.276 1.340 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.281 7.426 2.125 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.263 6.692 -0.038 1.00 0.00 C ATOM 0 H LEU A 82 1.956 10.108 2.519 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.925 9.840 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.873 9.272 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.677 8.464 0.712 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.337 6.589 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.775 6.457 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.059 7.800 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.938 8.128 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.771 5.733 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.895 7.377 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.321 6.547 -0.566 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.501 7.922 4.418 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.203 6.969 5.480 1.00 0.00 C ATOM 1305 C ALA A 83 -0.638 5.560 5.091 1.00 0.00 C ATOM 1306 O ALA A 83 -1.788 5.173 5.305 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.878 7.394 6.776 1.00 0.00 C ATOM 0 H ALA A 83 -1.480 8.202 4.365 1.00 0.00 H new ATOM 0 HA ALA A 83 0.876 6.958 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.647 6.673 7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.514 8.379 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.957 7.435 6.628 1.00 0.00 H new ATOM 1313 N LEU A 84 0.287 4.797 4.519 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.002 3.430 4.100 1.00 0.00 C ATOM 1315 C LEU A 84 -0.156 2.511 5.307 1.00 0.00 C ATOM 1316 O LEU A 84 0.791 2.300 6.066 1.00 0.00 O ATOM 1317 CB LEU A 84 1.110 2.910 3.188 1.00 0.00 C ATOM 1318 CG LEU A 84 1.392 3.738 1.933 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.567 3.157 1.163 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.154 3.805 1.050 1.00 0.00 C ATOM 0 H LEU A 84 1.243 5.102 4.335 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.943 3.436 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.029 2.845 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.855 1.896 2.880 1.00 0.00 H new ATOM 0 HG LEU A 84 1.651 4.751 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.753 3.759 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.454 3.161 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.337 2.133 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.372 4.398 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.135 2.797 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.663 4.268 1.603 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.356 1.964 5.479 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.634 1.065 6.593 1.00 0.00 C ATOM 1334 C HIS A 85 -1.942 -0.343 6.091 1.00 0.00 C ATOM 1335 O HIS A 85 -3.102 -0.752 6.032 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.806 1.592 7.422 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.391 2.506 8.533 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.368 2.209 9.409 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -2.865 3.717 8.907 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.233 3.197 10.276 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.129 4.125 9.993 1.00 0.00 N ATOM 0 H HIS A 85 -2.151 2.128 4.861 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.745 1.021 7.223 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.496 2.122 6.765 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.352 0.747 7.842 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.672 4.261 8.439 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.512 3.239 11.079 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.254 5.002 10.498 1.00 0.00 H new ATOM 1350 N THR A 86 -0.896 -1.079 5.730 1.00 0.00 N ATOM 1351 CA THR A 86 -1.056 -2.440 5.231 1.00 0.00 C ATOM 1352 C THR A 86 -0.981 -3.454 6.367 1.00 0.00 C ATOM 1353 O THR A 86 -0.068 -3.411 7.191 1.00 0.00 O ATOM 1354 CB THR A 86 0.018 -2.782 4.181 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.324 -2.602 4.739 1.00 0.00 O ATOM 1356 CG2 THR A 86 -0.135 -1.909 2.945 1.00 0.00 C ATOM 0 H THR A 86 0.071 -0.756 5.774 1.00 0.00 H new ATOM 0 HA THR A 86 -2.040 -2.493 4.765 1.00 0.00 H new ATOM 0 HB THR A 86 -0.111 -3.824 3.888 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.995 -2.972 4.128 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.635 -2.169 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.119 -2.070 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.030 -0.861 3.225 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.947 -4.365 6.404 1.00 0.00 N ATOM 1365 CA TYR A 87 -1.992 -5.389 7.440 1.00 0.00 C ATOM 1366 C TYR A 87 -2.078 -6.783 6.825 1.00 0.00 C ATOM 1367 O TYR A 87 -2.679 -6.972 5.767 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.185 -5.154 8.368 1.00 0.00 C ATOM 1369 CG TYR A 87 -2.904 -4.166 9.477 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.516 -2.863 9.192 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.026 -4.536 10.811 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.258 -1.957 10.202 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.771 -3.636 11.828 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.387 -2.348 11.518 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.131 -1.449 12.528 1.00 0.00 O ATOM 0 H TYR A 87 -2.709 -4.415 5.728 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.071 -5.324 8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.028 -4.795 7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.485 -6.105 8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.414 -2.553 8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.325 -5.544 11.057 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.957 -0.948 9.962 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.872 -3.939 12.860 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.269 -1.883 13.395 1.00 0.00 H new ATOM 1385 N THR A 88 -1.474 -7.758 7.497 1.00 0.00 N ATOM 1386 CA THR A 88 -1.481 -9.134 7.019 1.00 0.00 C ATOM 1387 C THR A 88 -2.749 -9.861 7.452 1.00 0.00 C ATOM 1388 O THR A 88 -3.220 -9.689 8.577 1.00 0.00 O ATOM 1389 CB THR A 88 -0.255 -9.914 7.532 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.140 -9.766 8.952 1.00 0.00 O ATOM 1391 CG2 THR A 88 1.019 -9.422 6.861 1.00 0.00 C ATOM 0 H THR A 88 -0.973 -7.619 8.375 1.00 0.00 H new ATOM 0 HA THR A 88 -1.445 -9.090 5.931 1.00 0.00 H new ATOM 0 HB THR A 88 -0.393 -10.967 7.286 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.640 -10.266 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.871 -9.987 7.239 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.940 -9.562 5.783 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.160 -8.364 7.080 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.296 -10.673 6.555 1.00 0.00 N ATOM 1400 CA ILE A 89 -4.509 -11.427 6.846 1.00 0.00 C ATOM 1401 C ILE A 89 -4.557 -11.845 8.312 1.00 0.00 C ATOM 1402 O ILE A 89 -5.447 -11.436 9.057 1.00 0.00 O ATOM 1403 CB ILE A 89 -4.617 -12.683 5.962 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -4.694 -12.289 4.485 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -5.832 -13.508 6.360 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.341 -12.164 3.822 1.00 0.00 C ATOM 0 H ILE A 89 -2.918 -10.826 5.620 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.350 -10.768 6.630 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.725 -13.291 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.285 -13.032 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.222 -11.339 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.895 -14.392 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.738 -13.814 7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.734 -12.909 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.472 -11.882 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.755 -11.400 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.819 -13.119 3.877 1.00 0.00 H new ATOM 1418 N LYS A 90 -3.592 -12.663 8.720 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.521 -13.135 10.098 1.00 0.00 C ATOM 1420 C LYS A 90 -3.836 -12.008 11.076 1.00 0.00 C ATOM 1421 O LYS A 90 -4.813 -12.076 11.821 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.132 -13.707 10.391 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.017 -15.196 10.116 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.076 -15.494 8.627 1.00 0.00 C ATOM 1425 CE LYS A 90 -0.728 -15.265 7.959 1.00 0.00 C ATOM 1426 NZ LYS A 90 -0.715 -15.754 6.553 1.00 0.00 N ATOM 0 H LYS A 90 -2.848 -13.013 8.116 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.265 -13.921 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.395 -13.177 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.884 -13.519 11.436 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.080 -15.571 10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.822 -15.724 10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.389 -16.527 8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.828 -14.860 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.491 -14.201 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.050 -15.774 8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.221 -15.580 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.916 -16.774 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.440 -15.250 6.004 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.002 -10.973 11.067 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.193 -9.831 11.955 1.00 0.00 C ATOM 1442 C GLU A 91 -4.663 -9.426 12.010 1.00 0.00 C ATOM 1443 O GLU A 91 -5.241 -9.293 13.089 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.344 -8.647 11.489 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.887 -8.740 11.911 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.725 -8.992 13.397 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -0.830 -10.165 13.814 1.00 0.00 O ATOM 1448 OE2 GLU A 91 -0.494 -8.018 14.143 1.00 0.00 O ATOM 0 H GLU A 91 -2.189 -10.901 10.456 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.876 -10.124 12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.395 -8.579 10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.771 -7.726 11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.402 -9.543 11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.376 -7.815 11.645 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.262 -9.231 10.841 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.664 -8.840 10.756 1.00 0.00 C ATOM 1457 C TRP A 92 -7.561 -9.883 11.413 1.00 0.00 C ATOM 1458 O TRP A 92 -8.437 -9.547 12.210 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.073 -8.645 9.295 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.154 -7.624 9.111 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.349 -7.801 8.474 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.138 -6.267 9.569 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -10.077 -6.635 8.507 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.356 -5.680 9.174 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.214 -5.492 10.275 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.671 -4.355 9.462 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.528 -4.177 10.559 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.748 -3.619 10.154 1.00 0.00 C ATOM 0 H TRP A 92 -4.799 -9.337 9.939 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.785 -7.897 11.289 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.198 -8.345 8.717 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.411 -9.599 8.890 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.674 -8.721 8.012 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -11.003 -6.503 8.101 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.272 -5.913 10.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.611 -3.923 9.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.821 -3.568 11.103 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.964 -2.588 10.393 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.336 -11.148 11.075 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.126 -12.240 11.633 1.00 0.00 C ATOM 1481 C GLU A 93 -8.429 -11.992 13.108 1.00 0.00 C ATOM 1482 O GLU A 93 -9.528 -12.277 13.583 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.386 -13.569 11.470 1.00 0.00 C ATOM 1484 CG GLU A 93 -7.058 -13.910 10.026 1.00 0.00 C ATOM 1485 CD GLU A 93 -6.879 -15.399 9.804 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -7.348 -16.187 10.652 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -6.269 -15.777 8.782 1.00 0.00 O ATOM 0 H GLU A 93 -6.614 -11.443 10.418 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.069 -12.288 11.088 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.461 -13.533 12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.994 -14.368 11.894 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.856 -13.544 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.146 -13.390 9.732 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.446 -11.459 13.828 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.627 -11.182 15.241 1.00 0.00 C ATOM 1496 C GLY A 94 -6.871 -9.948 15.691 1.00 0.00 C ATOM 1497 O GLY A 94 -6.154 -9.981 16.692 1.00 0.00 O ATOM 0 H GLY A 94 -6.528 -11.214 13.458 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.689 -11.050 15.449 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.293 -12.041 15.822 1.00 0.00 H new