USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 812 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 16 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.38) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0036 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -18:sc= -0.185! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 110:sc= -1.71 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0956 K(o=-0.096,f=-1.6!) USER MOD Single : A 50 MET CE :methyl -166:sc= -1.58! (180deg=-1.96!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0963 USER MOD Single : A 74 SER OG : rot 23:sc= 0.614 USER MOD Single : A 77 LYS NZ :NH3+ -140:sc= -0.511 (180deg=-1.37!) USER MOD Single : A 82 CYS SG : rot 180:sc= -0.0289 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 63:sc= 0.0259 USER MOD Single : A 102 SER OG : rot -120:sc= -1.16 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.00331 USER MOD Single : A 105 THR OG1 : rot -139:sc= -0.0328 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 123 LYS NZ :NH3+ 147:sc= -0.189 (180deg=-1.18) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.340 1.104 13.525 1.00 0.00 N ATOM 161 CA LEU A 13 3.650 0.198 12.432 1.00 0.00 C ATOM 162 C LEU A 13 5.161 0.192 12.193 1.00 0.00 C ATOM 163 O LEU A 13 5.814 -0.839 12.349 1.00 0.00 O ATOM 164 CB LEU A 13 2.832 0.556 11.190 1.00 0.00 C ATOM 165 CG LEU A 13 1.317 0.382 11.311 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.602 0.924 10.072 1.00 0.00 C ATOM 167 CD2 LEU A 13 0.954 -1.078 11.589 1.00 0.00 C ATOM 0 HA LEU A 13 3.364 -0.822 12.690 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.039 1.594 10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.183 -0.056 10.359 1.00 0.00 H new ATOM 0 HG LEU A 13 0.973 0.968 12.163 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.474 0.788 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.824 1.985 9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.946 0.386 9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.129 -1.175 11.671 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.314 -1.704 10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.418 -1.397 12.522 1.00 0.00 H new ATOM 179 N PHE A 14 5.673 1.356 11.820 1.00 0.00 N ATOM 180 CA PHE A 14 7.095 1.498 11.558 1.00 0.00 C ATOM 181 C PHE A 14 7.871 1.733 12.855 1.00 0.00 C ATOM 182 O PHE A 14 8.605 2.713 12.975 1.00 0.00 O ATOM 183 CB PHE A 14 7.263 2.717 10.649 1.00 0.00 C ATOM 184 CG PHE A 14 6.284 2.757 9.474 1.00 0.00 C ATOM 185 CD1 PHE A 14 6.283 1.754 8.555 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.414 3.795 9.349 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.374 1.791 7.465 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.505 3.832 8.258 1.00 0.00 C ATOM 189 CZ PHE A 14 4.504 2.830 7.340 1.00 0.00 C ATOM 0 H PHE A 14 5.128 2.209 11.693 1.00 0.00 H new ATOM 0 HA PHE A 14 7.480 0.589 11.095 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.137 3.621 11.244 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.281 2.730 10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.974 0.930 8.655 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.414 4.591 10.079 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.373 0.995 6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.815 4.657 8.158 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.812 2.858 6.511 1.00 0.00 H new ATOM 199 N GLU A 15 7.681 0.818 13.795 1.00 0.00 N ATOM 200 CA GLU A 15 8.354 0.914 15.079 1.00 0.00 C ATOM 201 C GLU A 15 9.824 0.512 14.940 1.00 0.00 C ATOM 202 O GLU A 15 10.716 1.257 15.345 1.00 0.00 O ATOM 203 CB GLU A 15 7.649 0.057 16.133 1.00 0.00 C ATOM 204 CG GLU A 15 6.845 0.928 17.099 1.00 0.00 C ATOM 205 CD GLU A 15 7.035 0.463 18.545 1.00 0.00 C ATOM 206 OE1 GLU A 15 8.171 0.613 19.044 1.00 0.00 O ATOM 207 OE2 GLU A 15 6.040 -0.032 19.117 1.00 0.00 O ATOM 0 H GLU A 15 7.071 0.007 13.693 1.00 0.00 H new ATOM 0 HA GLU A 15 8.311 1.951 15.413 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.986 -0.656 15.643 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.386 -0.523 16.688 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.158 1.968 17.003 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.788 0.888 16.836 1.00 0.00 H new ATOM 214 N ASN A 16 10.031 -0.663 14.365 1.00 0.00 N ATOM 215 CA ASN A 16 11.377 -1.173 14.167 1.00 0.00 C ATOM 216 C ASN A 16 11.787 -0.965 12.708 1.00 0.00 C ATOM 217 O ASN A 16 12.735 -1.587 12.231 1.00 0.00 O ATOM 218 CB ASN A 16 11.450 -2.671 14.470 1.00 0.00 C ATOM 219 CG ASN A 16 10.246 -3.408 13.879 1.00 0.00 C ATOM 220 OD1 ASN A 16 9.224 -3.593 14.518 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.424 -3.818 12.627 1.00 0.00 N ATOM 0 H ASN A 16 9.289 -1.277 14.030 1.00 0.00 H new ATOM 0 HA ASN A 16 12.043 -0.636 14.843 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.371 -3.084 14.060 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.483 -2.827 15.548 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.679 -4.321 12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.305 -3.630 12.149 1.00 0.00 H new ATOM 228 N MET A 17 11.053 -0.088 12.040 1.00 0.00 N ATOM 229 CA MET A 17 11.328 0.209 10.644 1.00 0.00 C ATOM 230 C MET A 17 12.523 1.156 10.511 1.00 0.00 C ATOM 231 O MET A 17 12.668 2.092 11.296 1.00 0.00 O ATOM 232 CB MET A 17 10.094 0.851 10.006 1.00 0.00 C ATOM 233 CG MET A 17 9.501 -0.058 8.927 1.00 0.00 C ATOM 234 SD MET A 17 8.506 -1.333 9.683 1.00 0.00 S ATOM 235 CE MET A 17 7.873 -2.139 8.222 1.00 0.00 C ATOM 0 H MET A 17 10.268 0.427 12.439 1.00 0.00 H new ATOM 0 HA MET A 17 11.568 -0.724 10.133 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.345 1.049 10.773 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.364 1.812 9.569 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.893 0.529 8.239 1.00 0.00 H new ATOM 0 HG3 MET A 17 10.301 -0.509 8.340 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.227 -2.967 8.514 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.302 -1.424 7.631 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.704 -2.520 7.628 1.00 0.00 H new ATOM 245 N ASP A 18 13.347 0.880 9.511 1.00 0.00 N ATOM 246 CA ASP A 18 14.524 1.695 9.265 1.00 0.00 C ATOM 247 C ASP A 18 14.322 2.500 7.979 1.00 0.00 C ATOM 248 O ASP A 18 13.604 2.068 7.079 1.00 0.00 O ATOM 249 CB ASP A 18 15.770 0.825 9.086 1.00 0.00 C ATOM 250 CG ASP A 18 16.647 0.688 10.332 1.00 0.00 C ATOM 251 OD1 ASP A 18 16.813 1.715 11.025 1.00 0.00 O ATOM 252 OD2 ASP A 18 17.131 -0.441 10.565 1.00 0.00 O ATOM 0 H ASP A 18 13.223 0.103 8.862 1.00 0.00 H new ATOM 0 HA ASP A 18 14.663 2.353 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.458 -0.170 8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.373 1.242 8.280 1.00 0.00 H new ATOM 257 N GLU A 19 14.968 3.656 7.935 1.00 0.00 N ATOM 258 CA GLU A 19 14.868 4.525 6.774 1.00 0.00 C ATOM 259 C GLU A 19 15.034 3.714 5.488 1.00 0.00 C ATOM 260 O GLU A 19 14.273 3.888 4.537 1.00 0.00 O ATOM 261 CB GLU A 19 15.897 5.655 6.846 1.00 0.00 C ATOM 262 CG GLU A 19 15.489 6.703 7.884 1.00 0.00 C ATOM 263 CD GLU A 19 16.664 7.054 8.799 1.00 0.00 C ATOM 264 OE1 GLU A 19 17.182 6.116 9.442 1.00 0.00 O ATOM 265 OE2 GLU A 19 17.016 8.253 8.835 1.00 0.00 O ATOM 0 H GLU A 19 15.562 4.011 8.684 1.00 0.00 H new ATOM 0 HA GLU A 19 13.877 4.979 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.874 5.246 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.995 6.126 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.135 7.602 7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.659 6.325 8.481 1.00 0.00 H new ATOM 272 N ARG A 20 16.033 2.844 5.499 1.00 0.00 N ATOM 273 CA ARG A 20 16.309 2.005 4.345 1.00 0.00 C ATOM 274 C ARG A 20 15.056 1.222 3.947 1.00 0.00 C ATOM 275 O ARG A 20 14.828 0.968 2.765 1.00 0.00 O ATOM 276 CB ARG A 20 17.445 1.023 4.636 1.00 0.00 C ATOM 277 CG ARG A 20 18.732 1.766 5.002 1.00 0.00 C ATOM 278 CD ARG A 20 19.420 2.319 3.752 1.00 0.00 C ATOM 279 NE ARG A 20 20.819 1.841 3.691 1.00 0.00 N ATOM 280 CZ ARG A 20 21.753 2.352 2.877 1.00 0.00 C ATOM 281 NH1 ARG A 20 21.442 3.359 2.050 1.00 0.00 N ATOM 282 NH2 ARG A 20 22.997 1.855 2.890 1.00 0.00 N ATOM 0 H ARG A 20 16.662 2.702 6.289 1.00 0.00 H new ATOM 0 HA ARG A 20 16.610 2.657 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.158 0.361 5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.620 0.394 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.503 2.583 5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.409 1.091 5.526 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.880 2.003 2.860 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.400 3.409 3.768 1.00 0.00 H new ATOM 0 HE ARG A 20 21.090 1.074 4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.495 3.737 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.153 3.748 1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.233 1.088 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.708 2.244 2.271 1.00 0.00 H new ATOM 296 N LEU A 21 14.278 0.860 4.957 1.00 0.00 N ATOM 297 CA LEU A 21 13.054 0.111 4.727 1.00 0.00 C ATOM 298 C LEU A 21 11.949 1.071 4.284 1.00 0.00 C ATOM 299 O LEU A 21 11.036 0.680 3.558 1.00 0.00 O ATOM 300 CB LEU A 21 12.692 -0.715 5.963 1.00 0.00 C ATOM 301 CG LEU A 21 12.032 -2.069 5.695 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.828 -2.873 4.665 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.828 -2.847 6.997 1.00 0.00 C ATOM 0 H LEU A 21 14.471 1.071 5.936 1.00 0.00 H new ATOM 0 HA LEU A 21 13.193 -0.609 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.600 -0.884 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.022 -0.124 6.587 1.00 0.00 H new ATOM 0 HG LEU A 21 11.045 -1.889 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.337 -3.831 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.877 -2.317 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.838 -3.045 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.357 -3.805 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.793 -3.017 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.188 -2.273 7.667 1.00 0.00 H new ATOM 315 N LEU A 22 12.067 2.310 4.738 1.00 0.00 N ATOM 316 CA LEU A 22 11.089 3.329 4.397 1.00 0.00 C ATOM 317 C LEU A 22 11.202 3.660 2.908 1.00 0.00 C ATOM 318 O LEU A 22 10.227 3.542 2.167 1.00 0.00 O ATOM 319 CB LEU A 22 11.244 4.547 5.311 1.00 0.00 C ATOM 320 CG LEU A 22 10.430 4.521 6.606 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.940 4.726 6.322 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.691 3.235 7.392 1.00 0.00 C ATOM 0 H LEU A 22 12.825 2.631 5.339 1.00 0.00 H new ATOM 0 HA LEU A 22 10.078 2.959 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.298 4.651 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.965 5.437 4.747 1.00 0.00 H new ATOM 0 HG LEU A 22 10.756 5.353 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.384 4.703 7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.792 5.690 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.581 3.931 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.100 3.242 8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.410 2.374 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.750 3.171 7.644 1.00 0.00 H new ATOM 334 N ASP A 23 12.399 4.068 2.513 1.00 0.00 N ATOM 335 CA ASP A 23 12.652 4.416 1.126 1.00 0.00 C ATOM 336 C ASP A 23 12.255 3.242 0.229 1.00 0.00 C ATOM 337 O ASP A 23 11.478 3.407 -0.710 1.00 0.00 O ATOM 338 CB ASP A 23 14.135 4.709 0.892 1.00 0.00 C ATOM 339 CG ASP A 23 14.444 5.520 -0.368 1.00 0.00 C ATOM 340 OD1 ASP A 23 14.036 6.701 -0.397 1.00 0.00 O ATOM 341 OD2 ASP A 23 15.080 4.939 -1.274 1.00 0.00 O ATOM 0 H ASP A 23 13.205 4.165 3.131 1.00 0.00 H new ATOM 0 HA ASP A 23 12.068 5.305 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.524 5.247 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.672 3.762 0.837 1.00 0.00 H new ATOM 346 N ALA A 24 12.808 2.081 0.550 1.00 0.00 N ATOM 347 CA ALA A 24 12.521 0.879 -0.215 1.00 0.00 C ATOM 348 C ALA A 24 11.006 0.704 -0.334 1.00 0.00 C ATOM 349 O ALA A 24 10.459 0.732 -1.435 1.00 0.00 O ATOM 350 CB ALA A 24 13.197 -0.322 0.450 1.00 0.00 C ATOM 0 H ALA A 24 13.453 1.947 1.329 1.00 0.00 H new ATOM 0 HA ALA A 24 12.923 0.962 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.982 -1.224 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.275 -0.161 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.816 -0.438 1.465 1.00 0.00 H new ATOM 356 N ILE A 25 10.371 0.528 0.815 1.00 0.00 N ATOM 357 CA ILE A 25 8.930 0.349 0.854 1.00 0.00 C ATOM 358 C ILE A 25 8.256 1.512 0.124 1.00 0.00 C ATOM 359 O ILE A 25 7.232 1.328 -0.533 1.00 0.00 O ATOM 360 CB ILE A 25 8.451 0.168 2.296 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.976 -1.142 2.887 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.926 0.266 2.384 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.615 -1.257 4.370 1.00 0.00 C ATOM 0 H ILE A 25 10.828 0.506 1.726 1.00 0.00 H new ATOM 0 HA ILE A 25 8.646 -0.564 0.331 1.00 0.00 H new ATOM 0 HB ILE A 25 8.861 0.980 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.556 -1.986 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.058 -1.191 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.612 0.134 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.603 1.245 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.475 -0.511 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.000 -2.197 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.057 -0.424 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.531 -1.232 4.484 1.00 0.00 H new ATOM 375 N CYS A 26 8.857 2.685 0.263 1.00 0.00 N ATOM 376 CA CYS A 26 8.327 3.878 -0.375 1.00 0.00 C ATOM 377 C CYS A 26 8.431 3.698 -1.891 1.00 0.00 C ATOM 378 O CYS A 26 7.489 4.002 -2.621 1.00 0.00 O ATOM 379 CB CYS A 26 9.049 5.141 0.100 1.00 0.00 C ATOM 380 SG CYS A 26 8.136 5.895 1.495 1.00 0.00 S ATOM 0 H CYS A 26 9.706 2.834 0.808 1.00 0.00 H new ATOM 0 HA CYS A 26 7.281 4.009 -0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.065 4.895 0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.130 5.854 -0.720 1.00 0.00 H new ATOM 0 HG CYS A 26 8.758 6.965 1.893 1.00 0.00 H new ATOM 386 N GLU A 27 9.583 3.203 -2.319 1.00 0.00 N ATOM 387 CA GLU A 27 9.821 2.979 -3.735 1.00 0.00 C ATOM 388 C GLU A 27 8.788 2.002 -4.298 1.00 0.00 C ATOM 389 O GLU A 27 8.588 1.935 -5.510 1.00 0.00 O ATOM 390 CB GLU A 27 11.245 2.473 -3.977 1.00 0.00 C ATOM 391 CG GLU A 27 12.247 3.629 -3.970 1.00 0.00 C ATOM 392 CD GLU A 27 13.550 3.229 -4.664 1.00 0.00 C ATOM 393 OE1 GLU A 27 13.565 3.275 -5.914 1.00 0.00 O ATOM 394 OE2 GLU A 27 14.502 2.887 -3.931 1.00 0.00 O ATOM 0 H GLU A 27 10.362 2.951 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 27 9.715 3.930 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.513 1.750 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.292 1.952 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.814 4.494 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.455 3.929 -2.943 1.00 0.00 H new ATOM 401 N ARG A 28 8.159 1.268 -3.393 1.00 0.00 N ATOM 402 CA ARG A 28 7.151 0.297 -3.785 1.00 0.00 C ATOM 403 C ARG A 28 5.805 0.990 -4.008 1.00 0.00 C ATOM 404 O ARG A 28 5.039 0.597 -4.886 1.00 0.00 O ATOM 405 CB ARG A 28 6.988 -0.788 -2.719 1.00 0.00 C ATOM 406 CG ARG A 28 7.641 -2.098 -3.165 1.00 0.00 C ATOM 407 CD ARG A 28 8.968 -2.324 -2.437 1.00 0.00 C ATOM 408 NE ARG A 28 9.848 -3.195 -3.247 1.00 0.00 N ATOM 409 CZ ARG A 28 11.101 -3.525 -2.905 1.00 0.00 C ATOM 410 NH1 ARG A 28 11.629 -3.057 -1.765 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.826 -4.321 -3.702 1.00 0.00 N ATOM 0 H ARG A 28 8.328 1.326 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 28 7.482 -0.169 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.437 -0.454 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.929 -0.954 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.967 -2.931 -2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.812 -2.076 -4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.458 -1.368 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.785 -2.781 -1.465 1.00 0.00 H new ATOM 0 HE ARG A 28 9.477 -3.568 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.077 -2.450 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.583 -3.308 -1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.424 -4.676 -4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.780 -4.572 -3.441 1.00 0.00 H new ATOM 425 N LEU A 29 5.559 2.009 -3.198 1.00 0.00 N ATOM 426 CA LEU A 29 4.319 2.760 -3.296 1.00 0.00 C ATOM 427 C LEU A 29 4.001 3.022 -4.769 1.00 0.00 C ATOM 428 O LEU A 29 4.801 3.626 -5.483 1.00 0.00 O ATOM 429 CB LEU A 29 4.394 4.031 -2.448 1.00 0.00 C ATOM 430 CG LEU A 29 4.716 3.830 -0.965 1.00 0.00 C ATOM 431 CD1 LEU A 29 5.221 5.129 -0.333 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.510 3.259 -0.215 1.00 0.00 C ATOM 0 H LEU A 29 6.197 2.332 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 29 3.490 2.181 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.151 4.687 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.440 4.552 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 29 5.521 3.099 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.442 4.959 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.126 5.455 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.455 5.899 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.765 3.126 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.669 3.948 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.236 2.296 -0.647 1.00 0.00 H new ATOM 444 N LYS A 30 2.832 2.555 -5.182 1.00 0.00 N ATOM 445 CA LYS A 30 2.399 2.731 -6.558 1.00 0.00 C ATOM 446 C LYS A 30 1.312 3.805 -6.612 1.00 0.00 C ATOM 447 O LYS A 30 0.606 4.030 -5.629 1.00 0.00 O ATOM 448 CB LYS A 30 1.971 1.391 -7.160 1.00 0.00 C ATOM 449 CG LYS A 30 3.084 0.798 -8.026 1.00 0.00 C ATOM 450 CD LYS A 30 2.652 0.712 -9.491 1.00 0.00 C ATOM 451 CE LYS A 30 3.006 -0.651 -10.088 1.00 0.00 C ATOM 452 NZ LYS A 30 2.655 -0.695 -11.526 1.00 0.00 N ATOM 0 H LYS A 30 2.171 2.055 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 30 3.225 3.082 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.717 0.694 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.072 1.529 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.981 1.412 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.344 -0.196 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.577 0.878 -9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.138 1.501 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.071 -0.844 -9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.474 -1.438 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.902 -1.627 -11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.634 -0.532 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.182 0.043 -12.035 1.00 0.00 H new ATOM 466 N PRO A 31 1.207 4.458 -7.801 1.00 0.00 N ATOM 467 CA PRO A 31 0.217 5.504 -7.996 1.00 0.00 C ATOM 468 C PRO A 31 -1.183 4.909 -8.159 1.00 0.00 C ATOM 469 O PRO A 31 -1.481 4.284 -9.175 1.00 0.00 O ATOM 470 CB PRO A 31 0.687 6.265 -9.225 1.00 0.00 C ATOM 471 CG PRO A 31 1.657 5.341 -9.942 1.00 0.00 C ATOM 472 CD PRO A 31 2.025 4.218 -8.986 1.00 0.00 C ATOM 0 HA PRO A 31 0.134 6.172 -7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.153 6.524 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.173 7.199 -8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.202 4.938 -10.847 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.548 5.888 -10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.814 3.242 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.088 4.236 -8.744 1.00 0.00 H new ATOM 480 N CYS A 32 -2.005 5.126 -7.143 1.00 0.00 N ATOM 481 CA CYS A 32 -3.367 4.620 -7.161 1.00 0.00 C ATOM 482 C CYS A 32 -4.250 5.587 -6.370 1.00 0.00 C ATOM 483 O CYS A 32 -3.756 6.336 -5.528 1.00 0.00 O ATOM 484 CB CYS A 32 -3.448 3.194 -6.613 1.00 0.00 C ATOM 485 SG CYS A 32 -2.297 2.105 -7.528 1.00 0.00 S ATOM 0 H CYS A 32 -1.754 5.645 -6.302 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.723 4.564 -8.190 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.200 3.189 -5.552 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.467 2.818 -6.704 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.961 2.673 -8.648 1.00 0.00 H new ATOM 491 N LEU A 33 -5.540 5.539 -6.668 1.00 0.00 N ATOM 492 CA LEU A 33 -6.496 6.402 -5.994 1.00 0.00 C ATOM 493 C LEU A 33 -7.775 5.612 -5.708 1.00 0.00 C ATOM 494 O LEU A 33 -8.087 4.653 -6.412 1.00 0.00 O ATOM 495 CB LEU A 33 -6.729 7.678 -6.805 1.00 0.00 C ATOM 496 CG LEU A 33 -7.415 8.827 -6.063 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.396 9.877 -5.616 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.533 9.438 -6.912 1.00 0.00 C ATOM 0 H LEU A 33 -5.946 4.916 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.102 6.731 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.766 8.032 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.330 7.425 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.878 8.424 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.910 10.682 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.667 9.416 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.884 10.282 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.004 10.252 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.115 9.823 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.277 8.674 -7.138 1.00 0.00 H new ATOM 510 N PHE A 34 -8.481 6.046 -4.674 1.00 0.00 N ATOM 511 CA PHE A 34 -9.719 5.392 -4.287 1.00 0.00 C ATOM 512 C PHE A 34 -10.932 6.246 -4.664 1.00 0.00 C ATOM 513 O PHE A 34 -11.149 7.310 -4.087 1.00 0.00 O ATOM 514 CB PHE A 34 -9.680 5.226 -2.766 1.00 0.00 C ATOM 515 CG PHE A 34 -8.446 4.481 -2.253 1.00 0.00 C ATOM 516 CD1 PHE A 34 -8.046 3.330 -2.857 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.750 4.970 -1.192 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.901 2.639 -2.381 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.604 4.278 -0.716 1.00 0.00 C ATOM 520 CZ PHE A 34 -6.204 3.128 -1.320 1.00 0.00 C ATOM 0 H PHE A 34 -8.219 6.842 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.810 4.434 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.716 6.212 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.574 4.691 -2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.600 2.942 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.068 5.884 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.583 1.725 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.050 4.666 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.333 2.602 -0.958 1.00 0.00 H new ATOM 530 N THR A 35 -11.689 5.747 -5.629 1.00 0.00 N ATOM 531 CA THR A 35 -12.874 6.450 -6.090 1.00 0.00 C ATOM 532 C THR A 35 -14.106 5.989 -5.309 1.00 0.00 C ATOM 533 O THR A 35 -13.982 5.299 -4.298 1.00 0.00 O ATOM 534 CB THR A 35 -12.996 6.233 -7.600 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.517 4.906 -7.799 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.022 7.104 -8.397 1.00 0.00 C ATOM 0 H THR A 35 -11.505 4.864 -6.105 1.00 0.00 H new ATOM 0 HA THR A 35 -12.794 7.521 -5.906 1.00 0.00 H new ATOM 0 HB THR A 35 -14.017 6.447 -7.917 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.562 4.681 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.150 6.911 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.223 8.156 -8.192 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.999 6.866 -8.105 1.00 0.00 H new ATOM 544 N GLU A 36 -15.267 6.388 -5.807 1.00 0.00 N ATOM 545 CA GLU A 36 -16.520 6.024 -5.168 1.00 0.00 C ATOM 546 C GLU A 36 -16.825 4.543 -5.402 1.00 0.00 C ATOM 547 O GLU A 36 -16.611 4.027 -6.498 1.00 0.00 O ATOM 548 CB GLU A 36 -17.667 6.905 -5.669 1.00 0.00 C ATOM 549 CG GLU A 36 -18.293 6.322 -6.937 1.00 0.00 C ATOM 550 CD GLU A 36 -19.193 7.349 -7.627 1.00 0.00 C ATOM 551 OE1 GLU A 36 -20.249 7.664 -7.037 1.00 0.00 O ATOM 552 OE2 GLU A 36 -18.805 7.796 -8.728 1.00 0.00 O ATOM 0 H GLU A 36 -15.366 6.960 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.419 6.189 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.427 6.995 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.297 7.910 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.507 6.004 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.874 5.435 -6.685 1.00 0.00 H new ATOM 559 N LYS A 37 -17.319 3.901 -4.354 1.00 0.00 N ATOM 560 CA LYS A 37 -17.655 2.490 -4.431 1.00 0.00 C ATOM 561 C LYS A 37 -16.369 1.670 -4.559 1.00 0.00 C ATOM 562 O LYS A 37 -16.381 0.572 -5.113 1.00 0.00 O ATOM 563 CB LYS A 37 -18.659 2.238 -5.558 1.00 0.00 C ATOM 564 CG LYS A 37 -19.962 3.000 -5.311 1.00 0.00 C ATOM 565 CD LYS A 37 -21.147 2.287 -5.967 1.00 0.00 C ATOM 566 CE LYS A 37 -21.115 2.457 -7.487 1.00 0.00 C ATOM 567 NZ LYS A 37 -22.488 2.438 -8.039 1.00 0.00 N ATOM 0 H LYS A 37 -17.495 4.332 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.151 2.167 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.228 2.547 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.866 1.171 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.136 3.092 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.877 4.012 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.123 1.227 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -22.081 2.687 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.626 3.397 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.525 1.658 -7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.449 2.555 -9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.942 1.531 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.040 3.216 -7.624 1.00 0.00 H new ATOM 581 N SER A 38 -15.290 2.235 -4.036 1.00 0.00 N ATOM 582 CA SER A 38 -13.999 1.571 -4.085 1.00 0.00 C ATOM 583 C SER A 38 -13.677 0.953 -2.723 1.00 0.00 C ATOM 584 O SER A 38 -13.553 1.666 -1.728 1.00 0.00 O ATOM 585 CB SER A 38 -12.894 2.544 -4.502 1.00 0.00 C ATOM 586 OG SER A 38 -12.301 3.191 -3.379 1.00 0.00 O ATOM 0 H SER A 38 -15.284 3.145 -3.576 1.00 0.00 H new ATOM 0 HA SER A 38 -14.049 0.780 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.126 2.005 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.307 3.294 -5.176 1.00 0.00 H new ATOM 0 HG SER A 38 -11.388 2.858 -3.255 1.00 0.00 H new ATOM 592 N TYR A 39 -13.550 -0.365 -2.722 1.00 0.00 N ATOM 593 CA TYR A 39 -13.244 -1.087 -1.498 1.00 0.00 C ATOM 594 C TYR A 39 -11.734 -1.272 -1.334 1.00 0.00 C ATOM 595 O TYR A 39 -11.066 -1.779 -2.233 1.00 0.00 O ATOM 596 CB TYR A 39 -13.902 -2.460 -1.643 1.00 0.00 C ATOM 597 CG TYR A 39 -15.349 -2.513 -1.149 1.00 0.00 C ATOM 598 CD1 TYR A 39 -15.623 -2.389 0.197 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.380 -2.683 -2.051 1.00 0.00 C ATOM 600 CE1 TYR A 39 -16.986 -2.438 0.662 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.742 -2.733 -1.587 1.00 0.00 C ATOM 602 CZ TYR A 39 -17.978 -2.608 -0.253 1.00 0.00 C ATOM 603 OH TYR A 39 -19.264 -2.654 0.186 1.00 0.00 O ATOM 0 H TYR A 39 -13.653 -0.953 -3.549 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.607 -0.540 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -13.876 -2.755 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.314 -3.193 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.816 -2.255 0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -16.165 -2.779 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -17.215 -2.342 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.558 -2.867 -2.282 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.866 -2.778 -0.577 1.00 0.00 H new ATOM 613 N LEU A 40 -11.241 -0.851 -0.178 1.00 0.00 N ATOM 614 CA LEU A 40 -9.822 -0.964 0.116 1.00 0.00 C ATOM 615 C LEU A 40 -9.543 -2.331 0.742 1.00 0.00 C ATOM 616 O LEU A 40 -8.658 -3.056 0.291 1.00 0.00 O ATOM 617 CB LEU A 40 -9.358 0.213 0.976 1.00 0.00 C ATOM 618 CG LEU A 40 -9.228 1.558 0.258 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.538 1.938 -0.436 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.751 2.649 1.219 1.00 0.00 C ATOM 0 H LEU A 40 -11.799 -0.431 0.566 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.237 -0.908 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.058 0.331 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.391 -0.039 1.411 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.469 1.459 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.418 2.898 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.796 1.174 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.334 2.013 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.667 3.595 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.468 2.756 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.778 2.375 1.626 1.00 0.00 H new ATOM 632 N VAL A 41 -10.316 -2.643 1.773 1.00 0.00 N ATOM 633 CA VAL A 41 -10.163 -3.911 2.466 1.00 0.00 C ATOM 634 C VAL A 41 -11.545 -4.513 2.731 1.00 0.00 C ATOM 635 O VAL A 41 -12.543 -3.795 2.757 1.00 0.00 O ATOM 636 CB VAL A 41 -9.343 -3.714 3.743 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.932 -3.218 3.417 1.00 0.00 C ATOM 638 CG2 VAL A 41 -10.050 -2.759 4.707 1.00 0.00 C ATOM 0 H VAL A 41 -11.050 -2.040 2.145 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.612 -4.620 1.847 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.253 -4.682 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.370 -3.086 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.426 -3.949 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.994 -2.265 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.446 -2.637 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.185 -1.790 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -11.023 -3.169 4.977 1.00 0.00 H new ATOM 648 N ARG A 42 -11.557 -5.824 2.919 1.00 0.00 N ATOM 649 CA ARG A 42 -12.800 -6.530 3.181 1.00 0.00 C ATOM 650 C ARG A 42 -12.632 -7.479 4.369 1.00 0.00 C ATOM 651 O ARG A 42 -11.518 -7.898 4.680 1.00 0.00 O ATOM 652 CB ARG A 42 -13.246 -7.332 1.956 1.00 0.00 C ATOM 653 CG ARG A 42 -14.630 -6.884 1.482 1.00 0.00 C ATOM 654 CD ARG A 42 -14.545 -6.189 0.121 1.00 0.00 C ATOM 655 NE ARG A 42 -14.659 -7.187 -0.965 1.00 0.00 N ATOM 656 CZ ARG A 42 -15.805 -7.784 -1.320 1.00 0.00 C ATOM 657 NH1 ARG A 42 -16.942 -7.487 -0.676 1.00 0.00 N ATOM 658 NH2 ARG A 42 -15.814 -8.678 -2.318 1.00 0.00 N ATOM 0 H ARG A 42 -10.727 -6.416 2.895 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.562 -5.785 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.523 -7.205 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.267 -8.394 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.292 -7.747 1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.067 -6.205 2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.340 -5.449 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.600 -5.653 0.036 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.812 -7.436 -1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.935 -6.807 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.815 -7.941 -0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.948 -8.904 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.686 -9.132 -2.588 1.00 0.00 H new ATOM 672 N GLU A 43 -13.754 -7.789 5.001 1.00 0.00 N ATOM 673 CA GLU A 43 -13.744 -8.680 6.149 1.00 0.00 C ATOM 674 C GLU A 43 -14.033 -10.117 5.708 1.00 0.00 C ATOM 675 O GLU A 43 -15.176 -10.461 5.409 1.00 0.00 O ATOM 676 CB GLU A 43 -14.748 -8.220 7.209 1.00 0.00 C ATOM 677 CG GLU A 43 -14.118 -8.238 8.603 1.00 0.00 C ATOM 678 CD GLU A 43 -14.946 -9.091 9.568 1.00 0.00 C ATOM 679 OE1 GLU A 43 -15.874 -8.518 10.178 1.00 0.00 O ATOM 680 OE2 GLU A 43 -14.631 -10.296 9.672 1.00 0.00 O ATOM 0 H GLU A 43 -14.676 -7.439 4.740 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.751 -8.651 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.094 -7.213 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.623 -8.870 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.103 -8.632 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.042 -7.220 8.985 1.00 0.00 H new ATOM 687 N GLY A 44 -12.977 -10.917 5.681 1.00 0.00 N ATOM 688 CA GLY A 44 -13.103 -12.308 5.281 1.00 0.00 C ATOM 689 C GLY A 44 -12.201 -12.618 4.085 1.00 0.00 C ATOM 690 O GLY A 44 -11.775 -13.758 3.903 1.00 0.00 O ATOM 0 H GLY A 44 -12.031 -10.628 5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.840 -12.956 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.140 -12.524 5.025 1.00 0.00 H new ATOM 694 N ASP A 45 -11.937 -11.584 3.300 1.00 0.00 N ATOM 695 CA ASP A 45 -11.094 -11.732 2.126 1.00 0.00 C ATOM 696 C ASP A 45 -9.636 -11.480 2.515 1.00 0.00 C ATOM 697 O ASP A 45 -9.362 -10.803 3.505 1.00 0.00 O ATOM 698 CB ASP A 45 -11.475 -10.721 1.043 1.00 0.00 C ATOM 699 CG ASP A 45 -11.126 -9.266 1.364 1.00 0.00 C ATOM 700 OD1 ASP A 45 -11.079 -8.948 2.572 1.00 0.00 O ATOM 701 OD2 ASP A 45 -10.913 -8.506 0.395 1.00 0.00 O ATOM 0 H ASP A 45 -12.292 -10.640 3.454 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.229 -12.742 1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.978 -11.002 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.548 -10.790 0.864 1.00 0.00 H new ATOM 706 N PRO A 46 -8.714 -12.054 1.696 1.00 0.00 N ATOM 707 CA PRO A 46 -7.291 -11.899 1.945 1.00 0.00 C ATOM 708 C PRO A 46 -6.816 -10.498 1.555 1.00 0.00 C ATOM 709 O PRO A 46 -7.542 -9.753 0.898 1.00 0.00 O ATOM 710 CB PRO A 46 -6.627 -12.999 1.133 1.00 0.00 C ATOM 711 CG PRO A 46 -7.655 -13.433 0.100 1.00 0.00 C ATOM 712 CD PRO A 46 -9.002 -12.864 0.515 1.00 0.00 C ATOM 0 HA PRO A 46 -7.036 -11.993 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.719 -12.635 0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.337 -13.834 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.377 -13.072 -0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.702 -14.520 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.440 -12.262 -0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.714 -13.657 0.743 1.00 0.00 H new ATOM 720 N VAL A 47 -5.600 -10.182 1.976 1.00 0.00 N ATOM 721 CA VAL A 47 -5.020 -8.883 1.678 1.00 0.00 C ATOM 722 C VAL A 47 -3.858 -9.061 0.699 1.00 0.00 C ATOM 723 O VAL A 47 -2.774 -9.493 1.087 1.00 0.00 O ATOM 724 CB VAL A 47 -4.606 -8.185 2.976 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.076 -6.777 2.696 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.767 -8.147 3.972 1.00 0.00 C ATOM 0 H VAL A 47 -5.001 -10.802 2.521 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.755 -8.238 1.197 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.799 -8.763 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.789 -6.303 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.208 -6.839 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.854 -6.185 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.447 -7.646 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.604 -7.603 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.079 -9.165 4.207 1.00 0.00 H new ATOM 736 N ASN A 48 -4.125 -8.719 -0.554 1.00 0.00 N ATOM 737 CA ASN A 48 -3.115 -8.835 -1.592 1.00 0.00 C ATOM 738 C ASN A 48 -2.097 -7.703 -1.437 1.00 0.00 C ATOM 739 O ASN A 48 -0.892 -7.932 -1.516 1.00 0.00 O ATOM 740 CB ASN A 48 -3.741 -8.722 -2.984 1.00 0.00 C ATOM 741 CG ASN A 48 -2.951 -9.539 -4.008 1.00 0.00 C ATOM 742 OD1 ASN A 48 -2.419 -10.598 -3.719 1.00 0.00 O ATOM 743 ND2 ASN A 48 -2.904 -8.989 -5.218 1.00 0.00 N ATOM 0 H ASN A 48 -5.026 -8.362 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.636 -9.809 -1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.773 -9.072 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.768 -7.676 -3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.400 -9.457 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.372 -8.099 -5.392 1.00 0.00 H new ATOM 750 N GLU A 49 -2.621 -6.506 -1.220 1.00 0.00 N ATOM 751 CA GLU A 49 -1.773 -5.337 -1.053 1.00 0.00 C ATOM 752 C GLU A 49 -2.323 -4.436 0.054 1.00 0.00 C ATOM 753 O GLU A 49 -3.530 -4.402 0.290 1.00 0.00 O ATOM 754 CB GLU A 49 -1.635 -4.568 -2.368 1.00 0.00 C ATOM 755 CG GLU A 49 -2.998 -4.081 -2.864 1.00 0.00 C ATOM 756 CD GLU A 49 -3.779 -5.219 -3.526 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.435 -5.546 -4.682 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.703 -5.735 -2.861 1.00 0.00 O ATOM 0 H GLU A 49 -3.622 -6.320 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.778 -5.673 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.970 -3.716 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.177 -5.209 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.571 -3.680 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.860 -3.267 -3.576 1.00 0.00 H new ATOM 765 N MET A 50 -1.411 -3.728 0.705 1.00 0.00 N ATOM 766 CA MET A 50 -1.790 -2.829 1.781 1.00 0.00 C ATOM 767 C MET A 50 -1.959 -1.398 1.267 1.00 0.00 C ATOM 768 O MET A 50 -1.198 -0.948 0.412 1.00 0.00 O ATOM 769 CB MET A 50 -0.716 -2.857 2.871 1.00 0.00 C ATOM 770 CG MET A 50 -1.108 -1.963 4.050 1.00 0.00 C ATOM 771 SD MET A 50 -0.292 -2.521 5.536 1.00 0.00 S ATOM 772 CE MET A 50 -0.365 -1.026 6.509 1.00 0.00 C ATOM 0 H MET A 50 -0.411 -3.759 0.508 1.00 0.00 H new ATOM 0 HA MET A 50 -2.744 -3.163 2.189 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.572 -3.880 3.218 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.236 -2.523 2.458 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.833 -0.929 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.189 -1.983 4.189 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.309 -1.113 7.361 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.065 -0.177 5.895 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.383 -0.874 6.866 1.00 0.00 H new ATOM 782 N LEU A 51 -2.962 -0.723 1.810 1.00 0.00 N ATOM 783 CA LEU A 51 -3.240 0.648 1.416 1.00 0.00 C ATOM 784 C LEU A 51 -2.875 1.588 2.566 1.00 0.00 C ATOM 785 O LEU A 51 -3.258 1.353 3.711 1.00 0.00 O ATOM 786 CB LEU A 51 -4.690 0.786 0.946 1.00 0.00 C ATOM 787 CG LEU A 51 -5.044 0.063 -0.355 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.805 -0.127 -1.232 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.754 -1.262 -0.070 1.00 0.00 C ATOM 0 H LEU A 51 -3.591 -1.100 2.519 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.624 0.932 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.344 0.414 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.912 1.846 0.822 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.741 0.688 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.085 -0.643 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.381 0.846 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.065 -0.720 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.995 -1.756 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.101 -1.905 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.673 -1.071 0.484 1.00 0.00 H new ATOM 801 N PHE A 52 -2.138 2.634 2.222 1.00 0.00 N ATOM 802 CA PHE A 52 -1.716 3.611 3.211 1.00 0.00 C ATOM 803 C PHE A 52 -2.410 4.956 2.984 1.00 0.00 C ATOM 804 O PHE A 52 -2.017 5.720 2.104 1.00 0.00 O ATOM 805 CB PHE A 52 -0.207 3.795 3.044 1.00 0.00 C ATOM 806 CG PHE A 52 0.615 2.557 3.411 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.642 1.486 2.573 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.318 2.528 4.575 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.405 0.338 2.913 1.00 0.00 C ATOM 810 CE2 PHE A 52 2.080 1.379 4.915 1.00 0.00 C ATOM 811 CZ PHE A 52 2.108 0.308 4.077 1.00 0.00 C ATOM 0 H PHE A 52 -1.822 2.826 1.271 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.975 3.263 4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.004 4.065 2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.118 4.631 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.083 1.509 1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.297 3.378 5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.427 -0.512 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.638 1.355 5.840 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.688 -0.566 4.336 1.00 0.00 H new ATOM 821 N ILE A 53 -3.429 5.204 3.793 1.00 0.00 N ATOM 822 CA ILE A 53 -4.181 6.443 3.691 1.00 0.00 C ATOM 823 C ILE A 53 -3.241 7.626 3.929 1.00 0.00 C ATOM 824 O ILE A 53 -2.701 7.785 5.023 1.00 0.00 O ATOM 825 CB ILE A 53 -5.387 6.417 4.633 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.423 5.391 4.169 1.00 0.00 C ATOM 827 CG2 ILE A 53 -5.993 7.814 4.787 1.00 0.00 C ATOM 828 CD1 ILE A 53 -6.939 5.728 2.769 1.00 0.00 C ATOM 0 H ILE A 53 -3.752 4.568 4.522 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.591 6.558 2.688 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.043 6.105 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.979 4.396 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.256 5.367 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.848 7.767 5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.244 8.492 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.319 8.179 3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.674 4.983 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.404 6.714 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.107 5.727 2.065 1.00 0.00 H new ATOM 840 N ILE A 54 -3.073 8.427 2.887 1.00 0.00 N ATOM 841 CA ILE A 54 -2.207 9.591 2.968 1.00 0.00 C ATOM 842 C ILE A 54 -3.026 10.799 3.426 1.00 0.00 C ATOM 843 O ILE A 54 -2.580 11.571 4.273 1.00 0.00 O ATOM 844 CB ILE A 54 -1.477 9.809 1.642 1.00 0.00 C ATOM 845 CG1 ILE A 54 -0.859 8.504 1.135 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.438 10.925 1.765 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.389 8.139 1.941 1.00 0.00 C ATOM 0 H ILE A 54 -3.522 8.293 1.981 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.426 9.434 3.712 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.207 10.129 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.591 7.699 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.599 8.606 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.067 11.059 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.933 11.854 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.294 10.658 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.809 7.208 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.128 8.935 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.121 8.014 2.990 1.00 0.00 H new ATOM 859 N ARG A 55 -4.210 10.926 2.844 1.00 0.00 N ATOM 860 CA ARG A 55 -5.095 12.028 3.181 1.00 0.00 C ATOM 861 C ARG A 55 -6.430 11.880 2.447 1.00 0.00 C ATOM 862 O ARG A 55 -6.468 11.868 1.218 1.00 0.00 O ATOM 863 CB ARG A 55 -4.465 13.373 2.815 1.00 0.00 C ATOM 864 CG ARG A 55 -4.385 14.292 4.035 1.00 0.00 C ATOM 865 CD ARG A 55 -2.939 14.453 4.506 1.00 0.00 C ATOM 866 NE ARG A 55 -2.546 15.879 4.457 1.00 0.00 N ATOM 867 CZ ARG A 55 -2.271 16.543 3.326 1.00 0.00 C ATOM 868 NH1 ARG A 55 -2.345 15.915 2.145 1.00 0.00 N ATOM 869 NH2 ARG A 55 -1.923 17.836 3.376 1.00 0.00 N ATOM 0 H ARG A 55 -4.577 10.284 2.141 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.263 12.001 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.466 13.212 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.053 13.853 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.801 15.268 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.991 13.883 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.835 14.073 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.275 13.862 3.875 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.480 16.388 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.611 14.931 2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.136 16.421 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.867 18.315 4.275 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.714 18.341 2.515 1.00 0.00 H new ATOM 883 N GLY A 56 -7.492 11.771 3.232 1.00 0.00 N ATOM 884 CA GLY A 56 -8.824 11.625 2.672 1.00 0.00 C ATOM 885 C GLY A 56 -9.820 11.165 3.738 1.00 0.00 C ATOM 886 O GLY A 56 -9.551 11.278 4.933 1.00 0.00 O ATOM 0 H GLY A 56 -7.457 11.781 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.151 12.575 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.802 10.904 1.855 1.00 0.00 H new ATOM 890 N ARG A 57 -10.949 10.657 3.268 1.00 0.00 N ATOM 891 CA ARG A 57 -11.987 10.179 4.167 1.00 0.00 C ATOM 892 C ARG A 57 -12.456 8.786 3.743 1.00 0.00 C ATOM 893 O ARG A 57 -12.330 8.412 2.578 1.00 0.00 O ATOM 894 CB ARG A 57 -13.185 11.131 4.180 1.00 0.00 C ATOM 895 CG ARG A 57 -12.916 12.338 5.081 1.00 0.00 C ATOM 896 CD ARG A 57 -13.846 12.333 6.296 1.00 0.00 C ATOM 897 NE ARG A 57 -14.599 13.605 6.362 1.00 0.00 N ATOM 898 CZ ARG A 57 -15.528 13.976 5.470 1.00 0.00 C ATOM 899 NH1 ARG A 57 -15.824 13.174 4.438 1.00 0.00 N ATOM 900 NH2 ARG A 57 -16.161 15.149 5.610 1.00 0.00 N ATOM 0 H ARG A 57 -11.169 10.566 2.276 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.562 10.133 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.396 11.470 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.071 10.602 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.878 12.324 5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.057 13.258 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.539 11.494 6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.265 12.197 7.208 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.398 14.239 7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.342 12.281 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.531 13.456 3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.936 15.760 6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.868 15.431 4.931 1.00 0.00 H new ATOM 914 N LEU A 58 -12.986 8.055 4.713 1.00 0.00 N ATOM 915 CA LEU A 58 -13.475 6.711 4.455 1.00 0.00 C ATOM 916 C LEU A 58 -14.481 6.322 5.540 1.00 0.00 C ATOM 917 O LEU A 58 -14.639 7.035 6.530 1.00 0.00 O ATOM 918 CB LEU A 58 -12.306 5.733 4.321 1.00 0.00 C ATOM 919 CG LEU A 58 -11.525 5.797 3.007 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.295 6.697 3.143 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.157 4.394 2.519 1.00 0.00 C ATOM 0 H LEU A 58 -13.087 8.368 5.678 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.003 6.674 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.612 5.913 5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.690 4.720 4.444 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.168 6.244 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.758 6.725 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.610 7.705 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.640 6.303 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.603 4.468 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.540 3.898 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.066 3.815 2.357 1.00 0.00 H new ATOM 933 N GLU A 59 -15.135 5.192 5.317 1.00 0.00 N ATOM 934 CA GLU A 59 -16.122 4.699 6.264 1.00 0.00 C ATOM 935 C GLU A 59 -15.782 3.270 6.690 1.00 0.00 C ATOM 936 O GLU A 59 -15.551 2.405 5.846 1.00 0.00 O ATOM 937 CB GLU A 59 -17.532 4.775 5.675 1.00 0.00 C ATOM 938 CG GLU A 59 -17.830 3.551 4.806 1.00 0.00 C ATOM 939 CD GLU A 59 -19.253 3.609 4.248 1.00 0.00 C ATOM 940 OE1 GLU A 59 -20.167 3.893 5.052 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.395 3.368 3.029 1.00 0.00 O ATOM 0 H GLU A 59 -15.001 4.603 4.495 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.098 5.336 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.263 4.840 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.633 5.682 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.115 3.501 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.703 2.643 5.395 1.00 0.00 H new ATOM 948 N SER A 60 -15.761 3.065 7.998 1.00 0.00 N ATOM 949 CA SER A 60 -15.453 1.755 8.546 1.00 0.00 C ATOM 950 C SER A 60 -16.747 0.994 8.841 1.00 0.00 C ATOM 951 O SER A 60 -17.617 1.494 9.552 1.00 0.00 O ATOM 952 CB SER A 60 -14.607 1.874 9.815 1.00 0.00 C ATOM 953 OG SER A 60 -14.971 0.904 10.793 1.00 0.00 O ATOM 0 H SER A 60 -15.952 3.784 8.695 1.00 0.00 H new ATOM 0 HA SER A 60 -14.874 1.202 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.554 1.755 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.722 2.873 10.235 1.00 0.00 H new ATOM 0 HG SER A 60 -14.407 1.012 11.587 1.00 0.00 H new ATOM 959 N VAL A 61 -16.833 -0.203 8.280 1.00 0.00 N ATOM 960 CA VAL A 61 -18.006 -1.039 8.474 1.00 0.00 C ATOM 961 C VAL A 61 -17.562 -2.463 8.814 1.00 0.00 C ATOM 962 O VAL A 61 -16.563 -2.949 8.284 1.00 0.00 O ATOM 963 CB VAL A 61 -18.905 -0.972 7.238 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.687 -2.275 7.058 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.851 0.229 7.312 1.00 0.00 C ATOM 0 H VAL A 61 -16.109 -0.614 7.691 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.600 -0.675 9.312 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.265 -0.841 6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.318 -2.201 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -18.990 -3.104 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.311 -2.449 7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.479 0.253 6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.481 0.142 8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.268 1.148 7.370 1.00 0.00 H new ATOM 1126 N ARG A 73 -21.190 0.996 11.797 1.00 0.00 N ATOM 1127 CA ARG A 73 -20.513 1.907 10.890 1.00 0.00 C ATOM 1128 C ARG A 73 -19.616 2.867 11.674 1.00 0.00 C ATOM 1129 O ARG A 73 -19.882 3.161 12.838 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.519 2.716 10.069 1.00 0.00 C ATOM 1131 CG ARG A 73 -22.101 1.875 8.931 1.00 0.00 C ATOM 1132 CD ARG A 73 -23.566 2.235 8.676 1.00 0.00 C ATOM 1133 NE ARG A 73 -23.654 3.305 7.657 1.00 0.00 N ATOM 1134 CZ ARG A 73 -24.798 3.890 7.278 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -25.959 3.512 7.832 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -24.782 4.852 6.346 1.00 0.00 N ATOM 0 HA ARG A 73 -19.905 1.308 10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -22.324 3.066 10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.032 3.601 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -21.520 2.035 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -22.021 0.817 9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -24.112 1.354 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -24.035 2.565 9.603 1.00 0.00 H new ATOM 0 HE ARG A 73 -22.789 3.617 7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -25.971 2.779 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -26.830 3.957 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -23.899 5.139 5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -25.653 5.297 6.058 1.00 0.00 H new ATOM 1150 N SER A 74 -18.570 3.330 11.003 1.00 0.00 N ATOM 1151 CA SER A 74 -17.632 4.250 11.622 1.00 0.00 C ATOM 1152 C SER A 74 -16.899 5.052 10.545 1.00 0.00 C ATOM 1153 O SER A 74 -17.045 4.779 9.355 1.00 0.00 O ATOM 1154 CB SER A 74 -16.629 3.504 12.504 1.00 0.00 C ATOM 1155 OG SER A 74 -17.175 3.184 13.781 1.00 0.00 O ATOM 0 H SER A 74 -18.352 3.085 10.037 1.00 0.00 H new ATOM 0 HA SER A 74 -18.193 4.935 12.258 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.317 2.587 12.003 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.736 4.115 12.634 1.00 0.00 H new ATOM 0 HG SER A 74 -18.153 3.166 13.723 1.00 0.00 H new ATOM 1161 N LEU A 75 -16.126 6.027 11.002 1.00 0.00 N ATOM 1162 CA LEU A 75 -15.369 6.871 10.093 1.00 0.00 C ATOM 1163 C LEU A 75 -13.909 6.921 10.546 1.00 0.00 C ATOM 1164 O LEU A 75 -13.609 6.671 11.713 1.00 0.00 O ATOM 1165 CB LEU A 75 -16.023 8.248 9.971 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.759 9.003 8.667 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.718 8.548 7.565 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.817 10.516 8.887 1.00 0.00 C ATOM 0 H LEU A 75 -16.008 6.251 11.990 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.376 6.450 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.100 8.128 10.086 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.680 8.866 10.801 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.749 8.764 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.508 9.101 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.584 7.481 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.745 8.737 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.626 11.028 7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.805 10.792 9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.062 10.807 9.617 1.00 0.00 H new ATOM 1180 N LEU A 76 -13.040 7.246 9.601 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.618 7.333 9.889 1.00 0.00 C ATOM 1182 C LEU A 76 -11.110 8.726 9.514 1.00 0.00 C ATOM 1183 O LEU A 76 -11.792 9.471 8.811 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.862 6.196 9.199 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.536 4.823 9.234 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.988 3.915 8.132 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -11.409 4.185 10.619 1.00 0.00 C ATOM 0 H LEU A 76 -13.293 7.452 8.635 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.437 7.204 10.956 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.701 6.473 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.879 6.108 9.661 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.600 4.960 9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.484 2.945 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.174 4.371 7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.915 3.781 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.896 3.210 10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.355 4.063 10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.885 4.827 11.360 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.917 9.037 9.999 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.310 10.328 9.723 1.00 0.00 C ATOM 1201 C LYS A 77 -7.935 10.114 9.086 1.00 0.00 C ATOM 1202 O LYS A 77 -7.567 8.987 8.760 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.274 11.185 10.991 1.00 0.00 C ATOM 1204 CG LYS A 77 -8.043 10.857 11.839 1.00 0.00 C ATOM 1205 CD LYS A 77 -7.744 11.984 12.829 1.00 0.00 C ATOM 1206 CE LYS A 77 -7.688 13.338 12.119 1.00 0.00 C ATOM 1207 NZ LYS A 77 -8.976 14.053 12.261 1.00 0.00 N ATOM 0 H LYS A 77 -9.354 8.417 10.582 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.911 10.886 9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.263 12.241 10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.178 11.015 11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.208 9.926 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.181 10.700 11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.512 12.007 13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.794 11.792 13.328 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.883 13.941 12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.461 13.192 11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.212 14.525 11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.726 13.374 12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.897 14.764 13.016 1.00 0.00 H new ATOM 1221 N GLU A 78 -7.215 11.215 8.928 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.889 11.162 8.335 1.00 0.00 C ATOM 1223 C GLU A 78 -4.882 10.595 9.338 1.00 0.00 C ATOM 1224 O GLU A 78 -4.658 11.180 10.396 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.454 12.544 7.842 1.00 0.00 C ATOM 1226 CG GLU A 78 -4.882 13.380 8.989 1.00 0.00 C ATOM 1227 CD GLU A 78 -4.688 14.836 8.562 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -5.662 15.605 8.706 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -3.568 15.148 8.100 1.00 0.00 O ATOM 0 H GLU A 78 -7.524 12.148 9.200 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.924 10.499 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.705 12.435 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.306 13.061 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.553 13.335 9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.928 12.961 9.309 1.00 0.00 H new ATOM 1236 N GLY A 79 -4.301 9.463 8.968 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.323 8.811 9.822 1.00 0.00 C ATOM 1238 C GLY A 79 -3.697 7.347 10.065 1.00 0.00 C ATOM 1239 O GLY A 79 -2.851 6.542 10.450 1.00 0.00 O ATOM 0 H GLY A 79 -4.489 8.981 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.337 8.866 9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.259 9.337 10.775 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.966 7.047 9.831 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.463 5.695 10.020 1.00 0.00 C ATOM 1245 C ASP A 80 -5.193 4.876 8.757 1.00 0.00 C ATOM 1246 O ASP A 80 -5.430 5.346 7.645 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.972 5.693 10.272 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.398 5.178 11.648 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -6.800 5.650 12.640 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -8.311 4.325 11.678 1.00 0.00 O ATOM 0 H ASP A 80 -5.665 7.718 9.512 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.953 5.266 10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.347 6.709 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.452 5.082 9.508 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.701 3.664 8.969 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.396 2.775 7.861 1.00 0.00 C ATOM 1257 C PHE A 81 -5.320 1.555 7.867 1.00 0.00 C ATOM 1258 O PHE A 81 -6.053 1.332 8.829 1.00 0.00 O ATOM 1259 CB PHE A 81 -2.952 2.307 8.047 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.546 2.108 9.509 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.933 0.987 10.176 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.798 3.051 10.142 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.556 0.802 11.532 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.421 2.866 11.498 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.808 1.746 12.165 1.00 0.00 C ATOM 0 H PHE A 81 -4.506 3.277 9.892 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.535 3.298 6.915 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.813 1.368 7.511 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.283 3.036 7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.527 0.238 9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.491 3.941 9.613 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.863 -0.088 12.061 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.827 3.615 12.000 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.522 1.606 13.197 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.254 0.798 6.782 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.075 -0.393 6.650 1.00 0.00 C ATOM 1277 C CYS A 82 -5.164 -1.568 6.289 1.00 0.00 C ATOM 1278 O CYS A 82 -4.018 -1.368 5.888 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.191 -0.200 5.621 1.00 0.00 C ATOM 1280 SG CYS A 82 -8.255 1.207 6.108 1.00 0.00 S ATOM 0 H CYS A 82 -4.645 0.986 5.986 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.574 -0.599 7.597 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.761 -0.018 4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.788 -1.109 5.545 1.00 0.00 H new ATOM 0 HG CYS A 82 -9.198 1.363 5.227 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.706 -2.766 6.444 1.00 0.00 N ATOM 1287 CA GLY A 83 -4.956 -3.973 6.140 1.00 0.00 C ATOM 1288 C GLY A 83 -3.515 -3.864 6.644 1.00 0.00 C ATOM 1289 O GLY A 83 -2.571 -4.110 5.894 1.00 0.00 O ATOM 0 H GLY A 83 -6.657 -2.927 6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.442 -4.833 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.957 -4.145 5.064 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.392 -3.497 7.911 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.082 -3.353 8.524 1.00 0.00 C ATOM 1295 C ASP A 84 -1.476 -4.739 8.752 1.00 0.00 C ATOM 1296 O ASP A 84 -0.270 -4.926 8.596 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.183 -2.652 9.880 1.00 0.00 C ATOM 1298 CG ASP A 84 -2.547 -3.564 11.054 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -3.764 -3.734 11.285 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -1.600 -4.071 11.694 1.00 0.00 O ATOM 0 H ASP A 84 -4.177 -3.295 8.530 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.460 -2.757 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.229 -2.171 10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.930 -1.861 9.809 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.339 -5.675 9.118 1.00 0.00 N ATOM 1306 CA GLU A 85 -1.903 -7.038 9.369 1.00 0.00 C ATOM 1307 C GLU A 85 -0.880 -7.470 8.317 1.00 0.00 C ATOM 1308 O GLU A 85 0.051 -8.215 8.621 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.095 -7.998 9.401 1.00 0.00 C ATOM 1310 CG GLU A 85 -3.623 -8.169 10.827 1.00 0.00 C ATOM 1311 CD GLU A 85 -2.758 -9.153 11.617 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -2.588 -10.287 11.118 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -2.287 -8.750 12.702 1.00 0.00 O ATOM 0 H GLU A 85 -3.338 -5.516 9.247 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.425 -7.071 10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.889 -7.619 8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.797 -8.967 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.636 -7.203 11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.652 -8.527 10.797 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.086 -6.984 7.102 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.192 -7.311 6.004 1.00 0.00 C ATOM 1322 C LEU A 86 1.246 -6.977 6.405 1.00 0.00 C ATOM 1323 O LEU A 86 2.150 -7.791 6.223 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.648 -6.618 4.718 1.00 0.00 C ATOM 1325 CG LEU A 86 0.137 -6.968 3.453 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.014 -8.451 3.106 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.268 -6.063 2.288 1.00 0.00 C ATOM 0 H LEU A 86 -1.859 -6.366 6.854 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.224 -8.380 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.697 -6.862 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.592 -5.540 4.870 1.00 0.00 H new ATOM 0 HG LEU A 86 1.194 -6.789 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.554 -8.673 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.363 -9.058 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.066 -8.680 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.305 -6.333 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.332 -6.186 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.066 -5.024 2.548 1.00 0.00 H new ATOM 1339 N LEU A 87 1.413 -5.779 6.946 1.00 0.00 N ATOM 1340 CA LEU A 87 2.726 -5.328 7.375 1.00 0.00 C ATOM 1341 C LEU A 87 3.373 -6.409 8.242 1.00 0.00 C ATOM 1342 O LEU A 87 4.485 -6.854 7.959 1.00 0.00 O ATOM 1343 CB LEU A 87 2.626 -3.966 8.063 1.00 0.00 C ATOM 1344 CG LEU A 87 3.567 -2.879 7.540 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.204 -2.482 6.107 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.588 -1.672 8.481 1.00 0.00 C ATOM 0 H LEU A 87 0.661 -5.107 7.097 1.00 0.00 H new ATOM 0 HA LEU A 87 3.377 -5.177 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.601 -3.608 7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.818 -4.104 9.127 1.00 0.00 H new ATOM 0 HG LEU A 87 4.578 -3.286 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.888 -1.708 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.282 -3.354 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.183 -2.101 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.265 -0.914 8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.584 -1.256 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.931 -1.985 9.467 1.00 0.00 H new ATOM 1358 N THR A 88 2.650 -6.802 9.281 1.00 0.00 N ATOM 1359 CA THR A 88 3.140 -7.822 10.191 1.00 0.00 C ATOM 1360 C THR A 88 3.296 -9.158 9.461 1.00 0.00 C ATOM 1361 O THR A 88 4.276 -9.872 9.668 1.00 0.00 O ATOM 1362 CB THR A 88 2.185 -7.890 11.384 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.885 -7.218 12.428 1.00 0.00 O ATOM 1364 CG2 THR A 88 2.008 -9.315 11.913 1.00 0.00 C ATOM 0 H THR A 88 1.728 -6.432 9.512 1.00 0.00 H new ATOM 0 HA THR A 88 4.133 -7.574 10.565 1.00 0.00 H new ATOM 0 HB THR A 88 1.215 -7.487 11.094 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.336 -7.214 13.240 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.321 -9.306 12.759 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.604 -9.949 11.124 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.973 -9.707 12.234 1.00 0.00 H new ATOM 1372 N TRP A 89 2.314 -9.455 8.622 1.00 0.00 N ATOM 1373 CA TRP A 89 2.329 -10.692 7.860 1.00 0.00 C ATOM 1374 C TRP A 89 3.711 -10.835 7.219 1.00 0.00 C ATOM 1375 O TRP A 89 4.383 -11.849 7.404 1.00 0.00 O ATOM 1376 CB TRP A 89 1.190 -10.722 6.840 1.00 0.00 C ATOM 1377 CG TRP A 89 1.355 -11.787 5.753 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.893 -13.045 5.754 1.00 0.00 C ATOM 1379 CD2 TRP A 89 2.053 -11.635 4.499 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.240 -13.712 4.597 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.968 -12.827 3.810 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.733 -10.526 3.965 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.541 -13.025 2.548 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.301 -10.740 2.703 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.224 -11.935 1.996 1.00 0.00 C ATOM 0 H TRP A 89 1.503 -8.860 8.453 1.00 0.00 H new ATOM 0 HA TRP A 89 2.157 -11.549 8.512 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.251 -10.896 7.365 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.114 -9.743 6.367 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.321 -13.482 6.559 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.006 -14.677 4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.811 -9.584 4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.460 -13.968 2.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.836 -9.920 2.247 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.689 -12.022 1.025 1.00 0.00 H new ATOM 1396 N ALA A 90 4.094 -9.806 6.478 1.00 0.00 N ATOM 1397 CA ALA A 90 5.383 -9.804 5.808 1.00 0.00 C ATOM 1398 C ALA A 90 6.497 -9.888 6.854 1.00 0.00 C ATOM 1399 O ALA A 90 7.503 -10.562 6.641 1.00 0.00 O ATOM 1400 CB ALA A 90 5.501 -8.556 4.930 1.00 0.00 C ATOM 0 H ALA A 90 3.534 -8.967 6.327 1.00 0.00 H new ATOM 0 HA ALA A 90 5.477 -10.672 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.468 -8.555 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.705 -8.559 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.414 -7.665 5.551 1.00 0.00 H new ATOM 1406 N LEU A 91 6.278 -9.195 7.961 1.00 0.00 N ATOM 1407 CA LEU A 91 7.251 -9.183 9.041 1.00 0.00 C ATOM 1408 C LEU A 91 7.204 -10.523 9.778 1.00 0.00 C ATOM 1409 O LEU A 91 8.006 -10.768 10.678 1.00 0.00 O ATOM 1410 CB LEU A 91 7.027 -7.972 9.950 1.00 0.00 C ATOM 1411 CG LEU A 91 7.943 -6.772 9.705 1.00 0.00 C ATOM 1412 CD1 LEU A 91 8.230 -6.596 8.212 1.00 0.00 C ATOM 1413 CD2 LEU A 91 7.362 -5.502 10.330 1.00 0.00 C ATOM 0 H LEU A 91 5.441 -8.638 8.134 1.00 0.00 H new ATOM 0 HA LEU A 91 8.260 -9.072 8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.994 -7.644 9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 91 7.149 -8.292 10.985 1.00 0.00 H new ATOM 0 HG LEU A 91 8.897 -6.965 10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.883 -5.736 8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.718 -7.492 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.294 -6.435 7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.033 -4.664 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.387 -5.293 9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.252 -5.643 11.405 1.00 0.00 H new ATOM 1425 N ASP A 92 6.257 -11.354 9.369 1.00 0.00 N ATOM 1426 CA ASP A 92 6.096 -12.663 9.980 1.00 0.00 C ATOM 1427 C ASP A 92 6.061 -13.731 8.885 1.00 0.00 C ATOM 1428 O ASP A 92 4.992 -14.082 8.389 1.00 0.00 O ATOM 1429 CB ASP A 92 4.785 -12.747 10.764 1.00 0.00 C ATOM 1430 CG ASP A 92 4.939 -12.724 12.286 1.00 0.00 C ATOM 1431 OD1 ASP A 92 5.588 -11.775 12.777 1.00 0.00 O ATOM 1432 OD2 ASP A 92 4.404 -13.656 12.925 1.00 0.00 O ATOM 0 H ASP A 92 5.594 -11.147 8.622 1.00 0.00 H new ATOM 0 HA ASP A 92 6.933 -12.824 10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.147 -11.915 10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.267 -13.663 10.480 1.00 0.00 H new ATOM 1437 N PRO A 93 7.275 -14.231 8.532 1.00 0.00 N ATOM 1438 CA PRO A 93 7.394 -15.253 7.505 1.00 0.00 C ATOM 1439 C PRO A 93 6.947 -16.617 8.034 1.00 0.00 C ATOM 1440 O PRO A 93 6.479 -17.460 7.270 1.00 0.00 O ATOM 1441 CB PRO A 93 8.856 -15.226 7.091 1.00 0.00 C ATOM 1442 CG PRO A 93 9.596 -14.523 8.217 1.00 0.00 C ATOM 1443 CD PRO A 93 8.563 -13.840 9.098 1.00 0.00 C ATOM 0 HA PRO A 93 6.748 -15.065 6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.239 -16.236 6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 93 8.985 -14.695 6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.178 -15.239 8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.298 -13.792 7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.653 -14.161 10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.688 -12.757 9.088 1.00 0.00 H new ATOM 1451 N LYS A 94 7.106 -16.791 9.338 1.00 0.00 N ATOM 1452 CA LYS A 94 6.725 -18.038 9.978 1.00 0.00 C ATOM 1453 C LYS A 94 5.252 -18.329 9.683 1.00 0.00 C ATOM 1454 O LYS A 94 4.860 -19.487 9.544 1.00 0.00 O ATOM 1455 CB LYS A 94 7.056 -17.997 11.471 1.00 0.00 C ATOM 1456 CG LYS A 94 8.539 -17.694 11.696 1.00 0.00 C ATOM 1457 CD LYS A 94 9.422 -18.667 10.913 1.00 0.00 C ATOM 1458 CE LYS A 94 10.651 -19.071 11.729 1.00 0.00 C ATOM 1459 NZ LYS A 94 11.893 -18.666 11.032 1.00 0.00 N ATOM 0 H LYS A 94 7.494 -16.089 9.968 1.00 0.00 H new ATOM 0 HA LYS A 94 7.302 -18.867 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.447 -17.237 11.961 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.803 -18.953 11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.756 -16.671 11.387 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.771 -17.762 12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.847 -19.555 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.738 -18.205 9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.611 -18.604 12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.651 -20.149 11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.717 -18.948 11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.937 -19.131 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.898 -17.634 10.903 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.399 -15.016 2.408 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.420 -13.600 2.733 1.00 0.00 C ATOM 1518 C LEU A 99 -3.316 -13.373 3.952 1.00 0.00 C ATOM 1519 O LEU A 99 -4.193 -14.185 4.241 1.00 0.00 O ATOM 1520 CB LEU A 99 -2.825 -12.776 1.509 1.00 0.00 C ATOM 1521 CG LEU A 99 -1.972 -12.973 0.255 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -2.813 -12.802 -1.012 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.757 -12.043 0.266 1.00 0.00 C ATOM 0 HA LEU A 99 -1.422 -13.256 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.859 -13.014 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.797 -11.721 1.781 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.594 -13.996 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.183 -12.947 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.617 -13.538 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.239 -11.799 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.168 -12.204 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.092 -11.006 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.144 -12.255 1.142 1.00 0.00 H new ATOM 1535 N PRO A 100 -3.057 -12.236 4.652 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.831 -11.893 5.833 1.00 0.00 C ATOM 1537 C PRO A 100 -5.221 -11.381 5.449 1.00 0.00 C ATOM 1538 O PRO A 100 -5.499 -11.153 4.273 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.995 -10.852 6.561 1.00 0.00 C ATOM 1540 CG PRO A 100 -2.014 -10.312 5.534 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.026 -11.252 4.339 1.00 0.00 C ATOM 0 HA PRO A 100 -4.022 -12.753 6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.623 -10.055 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.470 -11.295 7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.296 -9.304 5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.012 -10.248 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.255 -10.718 3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.055 -11.727 4.199 1.00 0.00 H new ATOM 1549 N SER A 101 -6.057 -11.217 6.463 1.00 0.00 N ATOM 1550 CA SER A 101 -7.411 -10.736 6.247 1.00 0.00 C ATOM 1551 C SER A 101 -7.641 -9.446 7.035 1.00 0.00 C ATOM 1552 O SER A 101 -7.145 -9.299 8.151 1.00 0.00 O ATOM 1553 CB SER A 101 -8.441 -11.794 6.648 1.00 0.00 C ATOM 1554 OG SER A 101 -9.770 -11.279 6.630 1.00 0.00 O ATOM 0 H SER A 101 -5.823 -11.409 7.437 1.00 0.00 H new ATOM 0 HA SER A 101 -7.535 -10.531 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.372 -12.643 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.210 -12.165 7.646 1.00 0.00 H new ATOM 0 HG SER A 101 -10.002 -11.004 5.719 1.00 0.00 H new ATOM 1560 N SER A 102 -8.393 -8.542 6.423 1.00 0.00 N ATOM 1561 CA SER A 102 -8.694 -7.268 7.054 1.00 0.00 C ATOM 1562 C SER A 102 -9.493 -7.497 8.339 1.00 0.00 C ATOM 1563 O SER A 102 -10.071 -8.565 8.533 1.00 0.00 O ATOM 1564 CB SER A 102 -9.468 -6.353 6.103 1.00 0.00 C ATOM 1565 OG SER A 102 -9.282 -4.976 6.419 1.00 0.00 O ATOM 0 H SER A 102 -8.802 -8.667 5.497 1.00 0.00 H new ATOM 0 HA SER A 102 -7.753 -6.777 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.144 -6.537 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.530 -6.596 6.150 1.00 0.00 H new ATOM 0 HG SER A 102 -10.149 -4.568 6.625 1.00 0.00 H new ATOM 1571 N THR A 103 -9.500 -6.475 9.183 1.00 0.00 N ATOM 1572 CA THR A 103 -10.219 -6.551 10.443 1.00 0.00 C ATOM 1573 C THR A 103 -11.583 -5.869 10.322 1.00 0.00 C ATOM 1574 O THR A 103 -12.443 -6.034 11.186 1.00 0.00 O ATOM 1575 CB THR A 103 -9.330 -5.945 11.531 1.00 0.00 C ATOM 1576 OG1 THR A 103 -8.915 -4.696 10.984 1.00 0.00 O ATOM 1577 CG2 THR A 103 -8.026 -6.721 11.722 1.00 0.00 C ATOM 0 H THR A 103 -9.019 -5.591 9.019 1.00 0.00 H new ATOM 0 HA THR A 103 -10.432 -7.585 10.715 1.00 0.00 H new ATOM 0 HB THR A 103 -9.877 -5.919 12.474 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.335 -4.234 11.625 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.433 -6.249 12.505 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.252 -7.748 12.008 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.462 -6.720 10.789 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.738 -5.116 9.242 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.983 -4.408 8.997 1.00 0.00 C ATOM 1587 C ARG A 104 -13.162 -4.155 7.498 1.00 0.00 C ATOM 1588 O ARG A 104 -12.243 -4.378 6.713 1.00 0.00 O ATOM 1589 CB ARG A 104 -13.011 -3.071 9.740 1.00 0.00 C ATOM 1590 CG ARG A 104 -12.212 -2.006 8.984 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.709 -2.200 9.191 1.00 0.00 C ATOM 1592 NE ARG A 104 -10.327 -1.779 10.557 1.00 0.00 N ATOM 1593 CZ ARG A 104 -9.061 -1.650 10.978 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -8.048 -1.908 10.140 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -8.809 -1.263 12.235 1.00 0.00 N ATOM 0 H ARG A 104 -11.023 -4.981 8.528 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.798 -5.032 9.364 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -14.042 -2.739 9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.598 -3.198 10.741 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.446 -2.057 7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.505 -1.014 9.328 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.445 -3.246 9.037 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.154 -1.619 8.454 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.074 -1.574 11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.241 -2.202 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.084 -1.810 10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.581 -1.066 12.872 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.845 -1.165 12.555 1.00 0.00 H new ATOM 1609 N THR A 105 -14.354 -3.692 7.148 1.00 0.00 N ATOM 1610 CA THR A 105 -14.666 -3.407 5.758 1.00 0.00 C ATOM 1611 C THR A 105 -14.788 -1.898 5.538 1.00 0.00 C ATOM 1612 O THR A 105 -15.789 -1.291 5.917 1.00 0.00 O ATOM 1613 CB THR A 105 -15.934 -4.179 5.389 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.498 -5.532 5.282 1.00 0.00 O ATOM 1615 CG2 THR A 105 -16.440 -3.839 3.986 1.00 0.00 C ATOM 0 H THR A 105 -15.114 -3.508 7.803 1.00 0.00 H new ATOM 0 HA THR A 105 -13.864 -3.737 5.097 1.00 0.00 H new ATOM 0 HB THR A 105 -16.715 -3.963 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 105 -15.929 -5.955 4.510 1.00 0.00 H new ATOM 0 HG21 THR A 105 -17.341 -4.414 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.667 -2.774 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.672 -4.086 3.253 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.756 -1.335 4.927 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.736 0.092 4.652 1.00 0.00 C ATOM 1625 C VAL A 106 -14.101 0.330 3.185 1.00 0.00 C ATOM 1626 O VAL A 106 -13.882 -0.536 2.339 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.374 0.678 5.031 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -12.208 2.090 4.465 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -12.177 0.669 6.549 1.00 0.00 C ATOM 0 H VAL A 106 -12.927 -1.841 4.614 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.479 0.609 5.260 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.603 0.047 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.232 2.483 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.284 2.058 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.990 2.736 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.202 1.090 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.958 1.266 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.231 -0.356 6.917 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.652 1.507 2.930 1.00 0.00 N ATOM 1640 CA LYS A 107 -15.050 1.870 1.580 1.00 0.00 C ATOM 1641 C LYS A 107 -14.641 3.318 1.304 1.00 0.00 C ATOM 1642 O LYS A 107 -14.239 4.038 2.217 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.542 1.601 1.371 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.879 1.507 -0.118 1.00 0.00 C ATOM 1645 CD LYS A 107 -18.175 0.724 -0.339 1.00 0.00 C ATOM 1646 CE LYS A 107 -19.309 1.653 -0.776 1.00 0.00 C ATOM 1647 NZ LYS A 107 -20.318 0.907 -1.559 1.00 0.00 N ATOM 0 H LYS A 107 -14.832 2.222 3.635 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.532 1.248 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.821 0.673 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.127 2.398 1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.980 2.509 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.061 1.021 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.016 -0.043 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -18.455 0.210 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.778 2.101 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -18.907 2.470 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -21.080 1.553 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.870 0.501 -2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.714 0.142 -0.976 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.759 3.702 0.042 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.407 5.052 -0.366 1.00 0.00 C ATOM 1663 C ALA A 108 -15.681 5.823 -0.715 1.00 0.00 C ATOM 1664 O ALA A 108 -16.353 5.507 -1.695 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.423 4.991 -1.536 1.00 0.00 C ATOM 0 H ALA A 108 -15.093 3.102 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.913 5.583 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.159 6.003 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.523 4.459 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.885 4.468 -2.373 1.00 0.00 H new ATOM 1671 N LEU A 109 -15.974 6.821 0.107 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.156 7.640 -0.103 1.00 0.00 C ATOM 1673 C LEU A 109 -16.765 8.902 -0.874 1.00 0.00 C ATOM 1674 O LEU A 109 -17.588 9.480 -1.584 1.00 0.00 O ATOM 1675 CB LEU A 109 -17.854 7.924 1.229 1.00 0.00 C ATOM 1676 CG LEU A 109 -17.829 6.788 2.254 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.736 7.018 3.300 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.205 6.599 2.895 1.00 0.00 C ATOM 0 H LEU A 109 -15.414 7.081 0.919 1.00 0.00 H new ATOM 0 HA LEU A 109 -17.886 7.107 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.392 8.803 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -18.894 8.180 1.025 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.586 5.862 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.739 6.197 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.765 7.065 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.924 7.956 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.160 5.786 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.501 7.519 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -19.936 6.357 2.123 1.00 0.00 H new ATOM 1690 N THR A 110 -15.511 9.294 -0.708 1.00 0.00 N ATOM 1691 CA THR A 110 -15.001 10.478 -1.380 1.00 0.00 C ATOM 1692 C THR A 110 -13.603 10.213 -1.941 1.00 0.00 C ATOM 1693 O THR A 110 -12.988 9.193 -1.630 1.00 0.00 O ATOM 1694 CB THR A 110 -15.047 11.641 -0.387 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.188 12.622 -0.962 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.382 11.299 0.948 1.00 0.00 C ATOM 0 H THR A 110 -14.832 8.813 -0.118 1.00 0.00 H new ATOM 0 HA THR A 110 -15.617 10.741 -2.240 1.00 0.00 H new ATOM 0 HB THR A 110 -16.084 11.928 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 110 -14.160 13.412 -0.383 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.443 12.159 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.893 10.450 1.402 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.336 11.044 0.779 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.141 11.148 -2.757 1.00 0.00 N ATOM 1705 CA GLU A 111 -11.826 11.028 -3.364 1.00 0.00 C ATOM 1706 C GLU A 111 -10.745 10.973 -2.283 1.00 0.00 C ATOM 1707 O GLU A 111 -10.634 11.884 -1.464 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.566 12.176 -4.341 1.00 0.00 C ATOM 1709 CG GLU A 111 -10.685 11.718 -5.505 1.00 0.00 C ATOM 1710 CD GLU A 111 -11.128 12.368 -6.818 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -10.998 13.607 -6.909 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -11.585 11.610 -7.700 1.00 0.00 O ATOM 0 H GLU A 111 -13.653 11.992 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.793 10.098 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.514 12.553 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.083 13.001 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.645 11.974 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.734 10.633 -5.598 1.00 0.00 H new ATOM 1719 N VAL A 112 -9.975 9.895 -2.315 1.00 0.00 N ATOM 1720 CA VAL A 112 -8.907 9.709 -1.348 1.00 0.00 C ATOM 1721 C VAL A 112 -7.592 9.461 -2.089 1.00 0.00 C ATOM 1722 O VAL A 112 -7.537 8.645 -3.008 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.269 8.583 -0.378 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -8.308 8.554 0.813 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -10.720 8.709 0.091 1.00 0.00 C ATOM 0 H VAL A 112 -10.070 9.141 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.776 10.608 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.170 7.637 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.588 7.744 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.291 8.393 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.360 9.504 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.952 7.896 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.857 9.664 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.387 8.656 -0.770 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.563 10.178 -1.660 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.252 10.045 -2.272 1.00 0.00 C ATOM 1737 C GLU A 113 -4.332 9.211 -1.378 1.00 0.00 C ATOM 1738 O GLU A 113 -4.049 9.593 -0.243 1.00 0.00 O ATOM 1739 CB GLU A 113 -4.640 11.418 -2.559 1.00 0.00 C ATOM 1740 CG GLU A 113 -3.126 11.312 -2.760 1.00 0.00 C ATOM 1741 CD GLU A 113 -2.510 12.688 -3.019 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -3.273 13.579 -3.450 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -1.290 12.817 -2.781 1.00 0.00 O ATOM 0 H GLU A 113 -6.611 10.852 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.367 9.528 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.100 11.846 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.854 12.096 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.669 10.865 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.912 10.650 -3.599 1.00 0.00 H new ATOM 1750 N ALA A 114 -3.890 8.087 -1.923 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.008 7.196 -1.190 1.00 0.00 C ATOM 1752 C ALA A 114 -2.277 6.283 -2.177 1.00 0.00 C ATOM 1753 O ALA A 114 -2.546 6.318 -3.376 1.00 0.00 O ATOM 1754 CB ALA A 114 -3.819 6.409 -0.159 1.00 0.00 C ATOM 0 H ALA A 114 -4.127 7.773 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.254 7.765 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.157 5.740 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.294 7.102 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.585 5.824 -0.668 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.366 5.488 -1.635 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.594 4.568 -2.452 1.00 0.00 C ATOM 1762 C PHE A 115 -0.867 3.117 -2.051 1.00 0.00 C ATOM 1763 O PHE A 115 -1.439 2.858 -0.994 1.00 0.00 O ATOM 1764 CB PHE A 115 0.883 4.883 -2.208 1.00 0.00 C ATOM 1765 CG PHE A 115 1.304 6.283 -2.658 1.00 0.00 C ATOM 1766 CD1 PHE A 115 1.750 6.484 -3.927 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.232 7.327 -1.789 1.00 0.00 C ATOM 1768 CE1 PHE A 115 2.140 7.784 -4.345 1.00 0.00 C ATOM 1769 CE2 PHE A 115 1.622 8.627 -2.207 1.00 0.00 C ATOM 1770 CZ PHE A 115 2.068 8.828 -3.476 1.00 0.00 C ATOM 0 H PHE A 115 -1.145 5.462 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.866 4.684 -3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.096 4.775 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.492 4.146 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.808 5.655 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.878 7.167 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.494 7.944 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.564 9.456 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.365 9.817 -3.794 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.445 2.207 -2.918 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.636 0.789 -2.667 1.00 0.00 C ATOM 1782 C ALA A 116 0.690 0.171 -2.220 1.00 0.00 C ATOM 1783 O ALA A 116 1.739 0.805 -2.318 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.198 0.120 -3.923 1.00 0.00 C ATOM 0 H ALA A 116 0.028 2.425 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.358 0.635 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.342 -0.944 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.154 0.575 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.499 0.252 -4.749 1.00 0.00 H new ATOM 1790 N LEU A 117 0.599 -1.061 -1.739 1.00 0.00 N ATOM 1791 CA LEU A 117 1.779 -1.772 -1.277 1.00 0.00 C ATOM 1792 C LEU A 117 1.530 -3.278 -1.369 1.00 0.00 C ATOM 1793 O LEU A 117 0.616 -3.800 -0.732 1.00 0.00 O ATOM 1794 CB LEU A 117 2.176 -1.299 0.123 1.00 0.00 C ATOM 1795 CG LEU A 117 3.671 -1.335 0.445 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.301 -2.648 -0.025 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.387 -0.115 -0.139 1.00 0.00 C ATOM 0 H LEU A 117 -0.273 -1.584 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 117 2.633 -1.550 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.821 -0.277 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.652 -1.914 0.855 1.00 0.00 H new ATOM 0 HG LEU A 117 3.789 -1.290 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.364 -2.648 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.815 -3.485 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.173 -2.748 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.448 -0.165 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.263 -0.104 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.960 0.794 0.284 1.00 0.00 H new ATOM 1809 N ILE A 118 2.358 -3.935 -2.167 1.00 0.00 N ATOM 1810 CA ILE A 118 2.239 -5.372 -2.351 1.00 0.00 C ATOM 1811 C ILE A 118 2.950 -6.089 -1.202 1.00 0.00 C ATOM 1812 O ILE A 118 3.988 -5.631 -0.727 1.00 0.00 O ATOM 1813 CB ILE A 118 2.745 -5.778 -3.737 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.828 -7.301 -3.865 1.00 0.00 C ATOM 1815 CG2 ILE A 118 4.080 -5.103 -4.053 1.00 0.00 C ATOM 1816 CD1 ILE A 118 3.026 -7.718 -5.324 1.00 0.00 C ATOM 0 H ILE A 118 3.115 -3.499 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 118 1.193 -5.676 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 118 2.026 -5.431 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.654 -7.676 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.916 -7.753 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.417 -5.409 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.955 -4.020 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.822 -5.398 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.082 -8.805 -5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.186 -7.362 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.951 -7.284 -5.704 1.00 0.00 H new ATOM 1828 N ALA A 119 2.364 -7.203 -0.789 1.00 0.00 N ATOM 1829 CA ALA A 119 2.928 -7.988 0.295 1.00 0.00 C ATOM 1830 C ALA A 119 4.288 -8.541 -0.135 1.00 0.00 C ATOM 1831 O ALA A 119 5.276 -8.397 0.583 1.00 0.00 O ATOM 1832 CB ALA A 119 1.947 -9.095 0.689 1.00 0.00 C ATOM 0 H ALA A 119 1.504 -7.581 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 119 3.088 -7.366 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.371 -9.684 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.007 -8.649 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.764 -9.741 -0.169 1.00 0.00 H new ATOM 1838 N ASP A 120 4.296 -9.161 -1.306 1.00 0.00 N ATOM 1839 CA ASP A 120 5.518 -9.736 -1.841 1.00 0.00 C ATOM 1840 C ASP A 120 6.683 -8.777 -1.583 1.00 0.00 C ATOM 1841 O ASP A 120 7.546 -9.052 -0.751 1.00 0.00 O ATOM 1842 CB ASP A 120 5.410 -9.953 -3.351 1.00 0.00 C ATOM 1843 CG ASP A 120 5.483 -11.413 -3.802 1.00 0.00 C ATOM 1844 OD1 ASP A 120 6.518 -12.047 -3.506 1.00 0.00 O ATOM 1845 OD2 ASP A 120 4.501 -11.862 -4.431 1.00 0.00 O ATOM 0 H ASP A 120 3.475 -9.278 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 120 5.682 -10.695 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.468 -9.528 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.209 -9.397 -3.841 1.00 0.00 H new ATOM 1850 N GLU A 121 6.669 -7.671 -2.312 1.00 0.00 N ATOM 1851 CA GLU A 121 7.713 -6.670 -2.173 1.00 0.00 C ATOM 1852 C GLU A 121 7.978 -6.382 -0.694 1.00 0.00 C ATOM 1853 O GLU A 121 9.129 -6.333 -0.264 1.00 0.00 O ATOM 1854 CB GLU A 121 7.348 -5.388 -2.925 1.00 0.00 C ATOM 1855 CG GLU A 121 7.189 -5.658 -4.422 1.00 0.00 C ATOM 1856 CD GLU A 121 8.541 -5.598 -5.136 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.430 -6.379 -4.733 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.654 -4.774 -6.069 1.00 0.00 O ATOM 0 H GLU A 121 5.951 -7.446 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 121 8.628 -7.063 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.420 -4.979 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.122 -4.637 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.737 -6.639 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.511 -4.924 -4.858 1.00 0.00 H new ATOM 1865 N LEU A 122 6.893 -6.197 0.044 1.00 0.00 N ATOM 1866 CA LEU A 122 6.993 -5.915 1.466 1.00 0.00 C ATOM 1867 C LEU A 122 7.813 -7.015 2.143 1.00 0.00 C ATOM 1868 O LEU A 122 8.787 -6.730 2.838 1.00 0.00 O ATOM 1869 CB LEU A 122 5.603 -5.722 2.073 1.00 0.00 C ATOM 1870 CG LEU A 122 5.500 -4.689 3.198 1.00 0.00 C ATOM 1871 CD1 LEU A 122 4.038 -4.380 3.526 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.281 -5.144 4.433 1.00 0.00 C ATOM 0 H LEU A 122 5.940 -6.237 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 122 7.521 -4.976 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.917 -5.432 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.259 -6.683 2.456 1.00 0.00 H new ATOM 0 HG LEU A 122 5.956 -3.761 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.993 -3.644 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.543 -3.982 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.535 -5.294 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.192 -4.392 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.877 -6.091 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.331 -5.273 4.172 1.00 0.00 H new ATOM 1884 N LYS A 123 7.388 -8.250 1.916 1.00 0.00 N ATOM 1885 CA LYS A 123 8.071 -9.394 2.496 1.00 0.00 C ATOM 1886 C LYS A 123 9.536 -9.386 2.054 1.00 0.00 C ATOM 1887 O LYS A 123 10.439 -9.480 2.884 1.00 0.00 O ATOM 1888 CB LYS A 123 7.331 -10.689 2.153 1.00 0.00 C ATOM 1889 CG LYS A 123 7.503 -11.729 3.262 1.00 0.00 C ATOM 1890 CD LYS A 123 6.161 -12.364 3.631 1.00 0.00 C ATOM 1891 CE LYS A 123 5.945 -13.671 2.866 1.00 0.00 C ATOM 1892 NZ LYS A 123 7.009 -14.646 3.195 1.00 0.00 N ATOM 0 H LYS A 123 6.580 -8.483 1.339 1.00 0.00 H new ATOM 0 HA LYS A 123 8.066 -9.330 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.271 -10.479 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.709 -11.090 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.198 -12.503 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.941 -11.258 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.128 -12.556 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.352 -11.669 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.970 -14.089 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 123 5.942 -13.475 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.618 -15.609 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.780 -14.566 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 7.378 -14.449 4.147 1.00 0.00 H new ATOM 1906 N PHE A 124 9.726 -9.274 0.748 1.00 0.00 N ATOM 1907 CA PHE A 124 11.065 -9.253 0.185 1.00 0.00 C ATOM 1908 C PHE A 124 11.968 -8.286 0.955 1.00 0.00 C ATOM 1909 O PHE A 124 12.985 -8.693 1.514 1.00 0.00 O ATOM 1910 CB PHE A 124 10.936 -8.770 -1.261 1.00 0.00 C ATOM 1911 CG PHE A 124 12.276 -8.565 -1.970 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.942 -7.386 -1.837 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.801 -9.560 -2.734 1.00 0.00 C ATOM 1914 CE1 PHE A 124 14.186 -7.196 -2.496 1.00 0.00 C ATOM 1915 CE2 PHE A 124 14.044 -9.369 -3.392 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.710 -8.191 -3.259 1.00 0.00 C ATOM 0 H PHE A 124 8.974 -9.197 0.063 1.00 0.00 H new ATOM 0 HA PHE A 124 11.508 -10.247 0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.346 -9.493 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.383 -7.830 -1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.525 -6.595 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.272 -10.496 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.715 -6.261 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.461 -10.159 -3.998 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.656 -8.046 -3.760 1.00 0.00 H new ATOM 1926 N VAL A 125 11.563 -7.025 0.958 1.00 0.00 N ATOM 1927 CA VAL A 125 12.322 -5.997 1.649 1.00 0.00 C ATOM 1928 C VAL A 125 12.350 -6.309 3.147 1.00 0.00 C ATOM 1929 O VAL A 125 13.321 -5.995 3.832 1.00 0.00 O ATOM 1930 CB VAL A 125 11.740 -4.617 1.337 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.694 -4.215 2.379 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.846 -3.565 1.236 1.00 0.00 C ATOM 0 H VAL A 125 10.719 -6.692 0.493 1.00 0.00 H new ATOM 0 HA VAL A 125 13.354 -5.986 1.300 1.00 0.00 H new ATOM 0 HB VAL A 125 11.243 -4.674 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.296 -3.230 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.883 -4.944 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 125 11.156 -4.184 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.405 -2.593 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 125 13.384 -3.511 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.538 -3.840 0.440 1.00 0.00 H new ATOM 1942 N ALA A 126 11.272 -6.925 3.610 1.00 0.00 N ATOM 1943 CA ALA A 126 11.160 -7.283 5.013 1.00 0.00 C ATOM 1944 C ALA A 126 12.233 -8.317 5.359 1.00 0.00 C ATOM 1945 O ALA A 126 12.967 -8.154 6.332 1.00 0.00 O ATOM 1946 CB ALA A 126 9.746 -7.794 5.299 1.00 0.00 C ATOM 0 H ALA A 126 10.469 -7.185 3.038 1.00 0.00 H new ATOM 0 HA ALA A 126 11.326 -6.411 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.662 -8.063 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.023 -7.013 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.545 -8.671 4.684 1.00 0.00 H new ATOM 1952 N SER A 127 12.291 -9.359 4.541 1.00 0.00 N ATOM 1953 CA SER A 127 13.263 -10.419 4.748 1.00 0.00 C ATOM 1954 C SER A 127 14.674 -9.898 4.465 1.00 0.00 C ATOM 1955 O SER A 127 15.559 -10.000 5.314 1.00 0.00 O ATOM 1956 CB SER A 127 12.956 -11.628 3.861 1.00 0.00 C ATOM 1957 OG SER A 127 13.250 -12.858 4.517 1.00 0.00 O ATOM 0 H SER A 127 11.681 -9.491 3.734 1.00 0.00 H new ATOM 0 HA SER A 127 13.203 -10.740 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.904 -11.611 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.536 -11.560 2.941 1.00 0.00 H new ATOM 0 HG SER A 127 13.039 -13.606 3.920 1.00 0.00 H new