USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 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 Set 1.1: A 35 THR OG1 : rot 180:sc= 0.132 USER MOD Set 1.2: A 38 SER OG : rot -150:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.255 K(o=0.25,f=-5.9!) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.463 (180deg=-0.605) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 14:sc= 0.144 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0792 K(o=-0.079,f=-1.8) USER MOD Single : A 50 MET CE :methyl -148:sc= -1.44 (180deg=-2.68) USER MOD Single : A 60 SER OG : rot 180:sc= -1.22 USER MOD Single : A 74 SER OG : rot 180:sc= -0.791 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 8:sc= -0.0787 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 180:sc= 0 USER MOD Single : A 102 SER OG : rot -99:sc= -2.2 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 142:sc= -0.811 (180deg=-2.62!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 123 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0896) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.477 2.285 12.747 1.00 0.00 N ATOM 161 CA LEU A 13 3.633 0.992 12.103 1.00 0.00 C ATOM 162 C LEU A 13 5.119 0.730 11.849 1.00 0.00 C ATOM 163 O LEU A 13 5.696 -0.195 12.419 1.00 0.00 O ATOM 164 CB LEU A 13 2.771 0.914 10.841 1.00 0.00 C ATOM 165 CG LEU A 13 1.276 0.678 11.065 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.467 1.078 9.829 1.00 0.00 C ATOM 167 CD2 LEU A 13 1.005 -0.768 11.484 1.00 0.00 C ATOM 0 HA LEU A 13 3.275 0.196 12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.893 1.843 10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.155 0.112 10.211 1.00 0.00 H new ATOM 0 HG LEU A 13 0.949 1.317 11.885 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.592 0.900 10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.626 2.135 9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.790 0.484 8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.065 -0.908 11.637 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.352 -1.444 10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.535 -0.983 12.412 1.00 0.00 H new ATOM 179 N PHE A 14 5.696 1.560 10.992 1.00 0.00 N ATOM 180 CA PHE A 14 7.103 1.430 10.655 1.00 0.00 C ATOM 181 C PHE A 14 7.986 2.039 11.746 1.00 0.00 C ATOM 182 O PHE A 14 8.812 2.907 11.468 1.00 0.00 O ATOM 183 CB PHE A 14 7.324 2.196 9.350 1.00 0.00 C ATOM 184 CG PHE A 14 6.402 1.760 8.209 1.00 0.00 C ATOM 185 CD1 PHE A 14 6.661 0.612 7.527 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.325 2.520 7.876 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.806 0.207 6.468 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.470 2.115 6.817 1.00 0.00 C ATOM 189 CZ PHE A 14 4.729 0.967 6.136 1.00 0.00 C ATOM 0 H PHE A 14 5.214 2.325 10.521 1.00 0.00 H new ATOM 0 HA PHE A 14 7.366 0.377 10.557 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.177 3.260 9.536 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.360 2.067 9.036 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.517 0.009 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.120 3.432 8.417 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.011 -0.705 5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.614 2.719 6.553 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.079 0.659 5.331 1.00 0.00 H new ATOM 199 N GLU A 15 7.783 1.560 12.964 1.00 0.00 N ATOM 200 CA GLU A 15 8.550 2.047 14.098 1.00 0.00 C ATOM 201 C GLU A 15 9.898 1.327 14.175 1.00 0.00 C ATOM 202 O GLU A 15 10.946 1.968 14.236 1.00 0.00 O ATOM 203 CB GLU A 15 7.766 1.883 15.402 1.00 0.00 C ATOM 204 CG GLU A 15 7.153 3.213 15.843 1.00 0.00 C ATOM 205 CD GLU A 15 7.688 3.637 17.212 1.00 0.00 C ATOM 206 OE1 GLU A 15 7.139 3.133 18.216 1.00 0.00 O ATOM 207 OE2 GLU A 15 8.633 4.454 17.224 1.00 0.00 O ATOM 0 H GLU A 15 7.098 0.839 13.191 1.00 0.00 H new ATOM 0 HA GLU A 15 8.736 3.112 13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.978 1.142 15.266 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.427 1.506 16.183 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.379 3.984 15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.068 3.121 15.885 1.00 0.00 H new ATOM 214 N ASN A 16 9.827 0.004 14.170 1.00 0.00 N ATOM 215 CA ASN A 16 11.029 -0.810 14.238 1.00 0.00 C ATOM 216 C ASN A 16 11.771 -0.730 12.902 1.00 0.00 C ATOM 217 O ASN A 16 12.998 -0.807 12.864 1.00 0.00 O ATOM 218 CB ASN A 16 10.686 -2.278 14.501 1.00 0.00 C ATOM 219 CG ASN A 16 9.607 -2.771 13.534 1.00 0.00 C ATOM 220 OD1 ASN A 16 8.621 -2.102 13.271 1.00 0.00 O ATOM 221 ND2 ASN A 16 9.848 -3.974 13.023 1.00 0.00 N ATOM 0 H ASN A 16 8.956 -0.525 14.120 1.00 0.00 H new ATOM 0 HA ASN A 16 11.646 -0.432 15.053 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.582 -2.889 14.394 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.340 -2.396 15.528 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.187 -4.391 12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.694 -4.480 13.286 1.00 0.00 H new ATOM 228 N MET A 17 10.995 -0.577 11.839 1.00 0.00 N ATOM 229 CA MET A 17 11.563 -0.485 10.505 1.00 0.00 C ATOM 230 C MET A 17 12.774 0.449 10.488 1.00 0.00 C ATOM 231 O MET A 17 12.952 1.258 11.398 1.00 0.00 O ATOM 232 CB MET A 17 10.502 0.035 9.533 1.00 0.00 C ATOM 233 CG MET A 17 9.816 -1.120 8.800 1.00 0.00 C ATOM 234 SD MET A 17 8.529 -1.813 9.824 1.00 0.00 S ATOM 235 CE MET A 17 7.945 -3.114 8.749 1.00 0.00 C ATOM 0 H MET A 17 9.978 -0.514 11.875 1.00 0.00 H new ATOM 0 HA MET A 17 11.891 -1.479 10.200 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.759 0.617 10.078 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.965 0.706 8.809 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.393 -0.765 7.860 1.00 0.00 H new ATOM 0 HG3 MET A 17 10.547 -1.889 8.550 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.076 -3.595 9.198 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.667 -2.691 7.784 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.735 -3.851 8.608 1.00 0.00 H new ATOM 245 N ASP A 18 13.576 0.308 9.443 1.00 0.00 N ATOM 246 CA ASP A 18 14.765 1.129 9.295 1.00 0.00 C ATOM 247 C ASP A 18 14.559 2.114 8.143 1.00 0.00 C ATOM 248 O ASP A 18 13.738 1.877 7.258 1.00 0.00 O ATOM 249 CB ASP A 18 15.990 0.272 8.971 1.00 0.00 C ATOM 250 CG ASP A 18 17.307 1.042 8.860 1.00 0.00 C ATOM 251 OD1 ASP A 18 17.752 1.559 9.907 1.00 0.00 O ATOM 252 OD2 ASP A 18 17.839 1.097 7.730 1.00 0.00 O ATOM 0 H ASP A 18 13.425 -0.363 8.690 1.00 0.00 H new ATOM 0 HA ASP A 18 14.931 1.654 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.096 -0.490 9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.811 -0.250 8.031 1.00 0.00 H new ATOM 257 N GLU A 19 15.318 3.199 8.191 1.00 0.00 N ATOM 258 CA GLU A 19 15.229 4.221 7.162 1.00 0.00 C ATOM 259 C GLU A 19 15.235 3.578 5.773 1.00 0.00 C ATOM 260 O GLU A 19 14.293 3.752 5.001 1.00 0.00 O ATOM 261 CB GLU A 19 16.364 5.238 7.299 1.00 0.00 C ATOM 262 CG GLU A 19 16.230 6.036 8.598 1.00 0.00 C ATOM 263 CD GLU A 19 17.550 6.049 9.372 1.00 0.00 C ATOM 264 OE1 GLU A 19 18.061 4.941 9.641 1.00 0.00 O ATOM 265 OE2 GLU A 19 18.018 7.168 9.676 1.00 0.00 O ATOM 0 H GLU A 19 15.998 3.393 8.927 1.00 0.00 H new ATOM 0 HA GLU A 19 14.288 4.756 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.324 4.722 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.353 5.918 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.927 7.058 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.445 5.601 9.217 1.00 0.00 H new ATOM 272 N ARG A 20 16.307 2.850 5.498 1.00 0.00 N ATOM 273 CA ARG A 20 16.447 2.180 4.216 1.00 0.00 C ATOM 274 C ARG A 20 15.199 1.349 3.911 1.00 0.00 C ATOM 275 O ARG A 20 14.804 1.217 2.754 1.00 0.00 O ATOM 276 CB ARG A 20 17.675 1.267 4.203 1.00 0.00 C ATOM 277 CG ARG A 20 18.952 2.062 4.484 1.00 0.00 C ATOM 278 CD ARG A 20 19.616 2.511 3.180 1.00 0.00 C ATOM 279 NE ARG A 20 20.434 1.410 2.624 1.00 0.00 N ATOM 280 CZ ARG A 20 20.784 1.312 1.334 1.00 0.00 C ATOM 281 NH1 ARG A 20 20.389 2.248 0.460 1.00 0.00 N ATOM 282 NH2 ARG A 20 21.528 0.278 0.918 1.00 0.00 N ATOM 0 H ARG A 20 17.087 2.709 6.141 1.00 0.00 H new ATOM 0 HA ARG A 20 16.571 2.948 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.558 0.483 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.755 0.773 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.715 2.933 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.647 1.450 5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.855 2.810 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.242 3.384 3.363 1.00 0.00 H new ATOM 0 HE ARG A 20 20.751 0.680 3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.822 3.035 0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.655 2.174 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.828 -0.435 1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.794 0.204 -0.064 1.00 0.00 H new ATOM 296 N LEU A 21 14.613 0.811 4.970 1.00 0.00 N ATOM 297 CA LEU A 21 13.417 -0.003 4.831 1.00 0.00 C ATOM 298 C LEU A 21 12.230 0.897 4.482 1.00 0.00 C ATOM 299 O LEU A 21 11.336 0.492 3.741 1.00 0.00 O ATOM 300 CB LEU A 21 13.198 -0.853 6.084 1.00 0.00 C ATOM 301 CG LEU A 21 12.381 -2.132 5.893 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.789 -2.857 4.609 1.00 0.00 C ATOM 303 CD2 LEU A 21 12.488 -3.039 7.121 1.00 0.00 C ATOM 0 H LEU A 21 14.944 0.923 5.928 1.00 0.00 H new ATOM 0 HA LEU A 21 13.532 -0.711 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.173 -1.125 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.702 -0.237 6.834 1.00 0.00 H new ATOM 0 HG LEU A 21 11.332 -1.855 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.193 -3.763 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.620 -2.204 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.845 -3.122 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.898 -3.941 6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.531 -3.311 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.111 -2.511 7.997 1.00 0.00 H new ATOM 315 N LEU A 22 12.260 2.101 5.034 1.00 0.00 N ATOM 316 CA LEU A 22 11.197 3.062 4.791 1.00 0.00 C ATOM 317 C LEU A 22 11.191 3.445 3.310 1.00 0.00 C ATOM 318 O LEU A 22 10.208 3.210 2.608 1.00 0.00 O ATOM 319 CB LEU A 22 11.330 4.258 5.735 1.00 0.00 C ATOM 320 CG LEU A 22 10.674 4.105 7.109 1.00 0.00 C ATOM 321 CD1 LEU A 22 9.155 3.975 6.979 1.00 0.00 C ATOM 322 CD2 LEU A 22 11.285 2.935 7.882 1.00 0.00 C ATOM 0 H LEU A 22 13.003 2.433 5.649 1.00 0.00 H new ATOM 0 HA LEU A 22 10.225 2.619 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.390 4.464 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.901 5.132 5.245 1.00 0.00 H new ATOM 0 HG LEU A 22 10.872 5.009 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.713 3.867 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.753 4.866 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.915 3.098 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.801 2.849 8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.139 2.012 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.352 3.109 8.022 1.00 0.00 H new ATOM 334 N ASP A 23 12.299 4.029 2.878 1.00 0.00 N ATOM 335 CA ASP A 23 12.433 4.447 1.493 1.00 0.00 C ATOM 336 C ASP A 23 12.095 3.270 0.574 1.00 0.00 C ATOM 337 O ASP A 23 11.378 3.434 -0.412 1.00 0.00 O ATOM 338 CB ASP A 23 13.866 4.888 1.187 1.00 0.00 C ATOM 339 CG ASP A 23 14.020 5.772 -0.052 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.226 6.731 -0.168 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.927 5.468 -0.857 1.00 0.00 O ATOM 0 H ASP A 23 13.112 4.223 3.463 1.00 0.00 H new ATOM 0 HA ASP A 23 11.754 5.283 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.256 5.427 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.484 3.999 1.060 1.00 0.00 H new ATOM 346 N ALA A 24 12.627 2.111 0.931 1.00 0.00 N ATOM 347 CA ALA A 24 12.390 0.907 0.151 1.00 0.00 C ATOM 348 C ALA A 24 10.883 0.688 0.005 1.00 0.00 C ATOM 349 O ALA A 24 10.382 0.519 -1.105 1.00 0.00 O ATOM 350 CB ALA A 24 13.090 -0.279 0.818 1.00 0.00 C ATOM 0 H ALA A 24 13.221 1.979 1.749 1.00 0.00 H new ATOM 0 HA ALA A 24 12.807 1.010 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.913 -1.182 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.161 -0.086 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.695 -0.415 1.825 1.00 0.00 H new ATOM 356 N ILE A 25 10.203 0.697 1.142 1.00 0.00 N ATOM 357 CA ILE A 25 8.763 0.501 1.155 1.00 0.00 C ATOM 358 C ILE A 25 8.083 1.711 0.510 1.00 0.00 C ATOM 359 O ILE A 25 6.946 1.615 0.050 1.00 0.00 O ATOM 360 CB ILE A 25 8.275 0.204 2.574 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.821 -1.135 3.073 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.748 0.267 2.653 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.917 -1.154 4.599 1.00 0.00 C ATOM 0 H ILE A 25 10.623 0.837 2.061 1.00 0.00 H new ATOM 0 HA ILE A 25 8.491 -0.372 0.561 1.00 0.00 H new ATOM 0 HB ILE A 25 8.664 0.976 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.173 -1.944 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.806 -1.314 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.427 0.052 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.410 1.263 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.318 -0.470 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.308 -2.117 4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.585 -0.359 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.927 -0.999 5.028 1.00 0.00 H new ATOM 375 N CYS A 26 8.806 2.820 0.499 1.00 0.00 N ATOM 376 CA CYS A 26 8.287 4.047 -0.081 1.00 0.00 C ATOM 377 C CYS A 26 8.311 3.906 -1.604 1.00 0.00 C ATOM 378 O CYS A 26 7.291 4.096 -2.265 1.00 0.00 O ATOM 379 CB CYS A 26 9.071 5.273 0.391 1.00 0.00 C ATOM 380 SG CYS A 26 8.385 6.787 -0.373 1.00 0.00 S ATOM 0 H CYS A 26 9.748 2.895 0.883 1.00 0.00 H new ATOM 0 HA CYS A 26 7.261 4.204 0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.022 5.350 1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.123 5.166 0.126 1.00 0.00 H new ATOM 0 HG CYS A 26 9.057 7.822 0.036 1.00 0.00 H new ATOM 386 N GLU A 27 9.487 3.574 -2.117 1.00 0.00 N ATOM 387 CA GLU A 27 9.657 3.405 -3.550 1.00 0.00 C ATOM 388 C GLU A 27 8.643 2.394 -4.090 1.00 0.00 C ATOM 389 O GLU A 27 8.281 2.441 -5.265 1.00 0.00 O ATOM 390 CB GLU A 27 11.088 2.979 -3.886 1.00 0.00 C ATOM 391 CG GLU A 27 11.345 1.534 -3.455 1.00 0.00 C ATOM 392 CD GLU A 27 12.291 0.831 -4.431 1.00 0.00 C ATOM 393 OE1 GLU A 27 12.398 1.327 -5.574 1.00 0.00 O ATOM 394 OE2 GLU A 27 12.885 -0.186 -4.013 1.00 0.00 O ATOM 0 H GLU A 27 10.331 3.418 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 27 9.476 4.365 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.259 3.078 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.795 3.642 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.774 1.520 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.400 0.992 -3.404 1.00 0.00 H new ATOM 401 N ARG A 28 8.214 1.505 -3.207 1.00 0.00 N ATOM 402 CA ARG A 28 7.250 0.485 -3.580 1.00 0.00 C ATOM 403 C ARG A 28 5.875 1.114 -3.814 1.00 0.00 C ATOM 404 O ARG A 28 5.117 0.659 -4.670 1.00 0.00 O ATOM 405 CB ARG A 28 7.134 -0.587 -2.495 1.00 0.00 C ATOM 406 CG ARG A 28 7.718 -1.918 -2.973 1.00 0.00 C ATOM 407 CD ARG A 28 9.043 -2.219 -2.271 1.00 0.00 C ATOM 408 NE ARG A 28 9.908 -3.037 -3.151 1.00 0.00 N ATOM 409 CZ ARG A 28 11.231 -3.173 -2.988 1.00 0.00 C ATOM 410 NH1 ARG A 28 11.850 -2.546 -1.978 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.935 -3.936 -3.835 1.00 0.00 N ATOM 0 H ARG A 28 8.517 1.470 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 28 7.601 0.018 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.657 -0.258 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.087 -0.722 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.008 -2.722 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.873 -1.885 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.548 -1.288 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.857 -2.748 -1.336 1.00 0.00 H new ATOM 0 HE ARG A 28 9.469 -3.528 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.314 -1.965 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.857 -2.650 -1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.464 -4.413 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.942 -4.040 -3.711 1.00 0.00 H new ATOM 425 N LEU A 29 5.595 2.152 -3.039 1.00 0.00 N ATOM 426 CA LEU A 29 4.325 2.848 -3.151 1.00 0.00 C ATOM 427 C LEU A 29 3.947 2.976 -4.628 1.00 0.00 C ATOM 428 O LEU A 29 4.647 3.632 -5.397 1.00 0.00 O ATOM 429 CB LEU A 29 4.381 4.187 -2.413 1.00 0.00 C ATOM 430 CG LEU A 29 4.739 4.119 -0.927 1.00 0.00 C ATOM 431 CD1 LEU A 29 5.239 5.474 -0.421 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.559 3.599 -0.102 1.00 0.00 C ATOM 0 H LEU A 29 6.226 2.527 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 29 3.533 2.276 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.110 4.825 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.411 4.674 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 29 5.556 3.408 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.487 5.398 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.127 5.766 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.460 6.224 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.840 3.560 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.706 4.267 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.289 2.599 -0.443 1.00 0.00 H new ATOM 444 N LYS A 30 2.840 2.338 -4.980 1.00 0.00 N ATOM 445 CA LYS A 30 2.360 2.372 -6.351 1.00 0.00 C ATOM 446 C LYS A 30 1.339 3.501 -6.502 1.00 0.00 C ATOM 447 O LYS A 30 0.517 3.722 -5.614 1.00 0.00 O ATOM 448 CB LYS A 30 1.826 1.000 -6.766 1.00 0.00 C ATOM 449 CG LYS A 30 0.738 1.135 -7.834 1.00 0.00 C ATOM 450 CD LYS A 30 0.936 0.108 -8.951 1.00 0.00 C ATOM 451 CE LYS A 30 -0.264 -0.836 -9.046 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.110 -1.967 -8.103 1.00 0.00 N ATOM 0 H LYS A 30 2.262 1.794 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 30 3.179 2.590 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.643 0.389 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.423 0.484 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.243 0.998 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.757 2.141 -8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.075 0.622 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.842 -0.468 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.181 -0.291 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.357 -1.214 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.933 -2.598 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.755 -2.496 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.044 -1.602 -7.131 1.00 0.00 H new ATOM 466 N PRO A 31 1.426 4.204 -7.663 1.00 0.00 N ATOM 467 CA PRO A 31 0.519 5.305 -7.941 1.00 0.00 C ATOM 468 C PRO A 31 -0.870 4.788 -8.318 1.00 0.00 C ATOM 469 O PRO A 31 -1.058 4.235 -9.401 1.00 0.00 O ATOM 470 CB PRO A 31 1.185 6.090 -9.060 1.00 0.00 C ATOM 471 CG PRO A 31 2.203 5.147 -9.682 1.00 0.00 C ATOM 472 CD PRO A 31 2.387 3.971 -8.737 1.00 0.00 C ATOM 0 HA PRO A 31 0.350 5.941 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.452 6.416 -9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.669 6.987 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.859 4.803 -10.657 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.151 5.660 -9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.195 3.024 -9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.406 3.927 -8.354 1.00 0.00 H new ATOM 480 N CYS A 32 -1.809 4.988 -7.405 1.00 0.00 N ATOM 481 CA CYS A 32 -3.176 4.549 -7.628 1.00 0.00 C ATOM 482 C CYS A 32 -4.112 5.479 -6.852 1.00 0.00 C ATOM 483 O CYS A 32 -3.661 6.268 -6.023 1.00 0.00 O ATOM 484 CB CYS A 32 -3.371 3.084 -7.233 1.00 0.00 C ATOM 485 SG CYS A 32 -2.663 1.990 -8.517 1.00 0.00 S ATOM 0 H CYS A 32 -1.650 5.448 -6.509 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.410 4.605 -8.691 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.891 2.890 -6.274 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.433 2.871 -7.107 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.915 2.689 -9.318 1.00 0.00 H new ATOM 491 N LEU A 33 -5.397 5.354 -7.149 1.00 0.00 N ATOM 492 CA LEU A 33 -6.400 6.174 -6.489 1.00 0.00 C ATOM 493 C LEU A 33 -7.657 5.336 -6.248 1.00 0.00 C ATOM 494 O LEU A 33 -7.810 4.259 -6.822 1.00 0.00 O ATOM 495 CB LEU A 33 -6.657 7.452 -7.289 1.00 0.00 C ATOM 496 CG LEU A 33 -7.036 8.689 -6.472 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.837 9.624 -6.304 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.239 9.406 -7.089 1.00 0.00 C ATOM 0 H LEU A 33 -5.767 4.698 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.043 6.503 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.761 7.682 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.455 7.255 -8.005 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.332 8.362 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.134 10.495 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.034 9.097 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.487 9.947 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.488 10.281 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.995 9.719 -8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.093 8.729 -7.114 1.00 0.00 H new ATOM 510 N PHE A 34 -8.525 5.863 -5.397 1.00 0.00 N ATOM 511 CA PHE A 34 -9.765 5.178 -5.072 1.00 0.00 C ATOM 512 C PHE A 34 -10.970 6.098 -5.277 1.00 0.00 C ATOM 513 O PHE A 34 -11.140 7.075 -4.550 1.00 0.00 O ATOM 514 CB PHE A 34 -9.684 4.784 -3.595 1.00 0.00 C ATOM 515 CG PHE A 34 -8.381 4.082 -3.209 1.00 0.00 C ATOM 516 CD1 PHE A 34 -8.052 2.893 -3.782 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.550 4.648 -2.292 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.843 2.242 -3.423 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.340 3.997 -1.933 1.00 0.00 C ATOM 520 CZ PHE A 34 -6.012 2.808 -2.506 1.00 0.00 C ATOM 0 H PHE A 34 -8.394 6.756 -4.923 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.891 4.310 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.797 5.680 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.522 4.128 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.711 2.444 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.811 5.592 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.583 1.298 -3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.680 4.446 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.092 2.313 -2.233 1.00 0.00 H new ATOM 530 N THR A 35 -11.776 5.752 -6.270 1.00 0.00 N ATOM 531 CA THR A 35 -12.960 6.534 -6.580 1.00 0.00 C ATOM 532 C THR A 35 -14.107 6.160 -5.640 1.00 0.00 C ATOM 533 O THR A 35 -13.899 5.466 -4.646 1.00 0.00 O ATOM 534 CB THR A 35 -13.292 6.324 -8.059 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.936 4.966 -8.304 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.374 7.123 -8.985 1.00 0.00 C ATOM 0 H THR A 35 -11.632 4.940 -6.870 1.00 0.00 H new ATOM 0 HA THR A 35 -12.785 7.598 -6.420 1.00 0.00 H new ATOM 0 HB THR A 35 -14.328 6.609 -8.243 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.120 4.743 -9.240 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.653 6.938 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.473 8.186 -8.767 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.340 6.815 -8.827 1.00 0.00 H new ATOM 544 N GLU A 36 -15.294 6.637 -5.987 1.00 0.00 N ATOM 545 CA GLU A 36 -16.475 6.361 -5.187 1.00 0.00 C ATOM 546 C GLU A 36 -16.888 4.896 -5.338 1.00 0.00 C ATOM 547 O GLU A 36 -16.775 4.324 -6.421 1.00 0.00 O ATOM 548 CB GLU A 36 -17.624 7.297 -5.565 1.00 0.00 C ATOM 549 CG GLU A 36 -18.399 6.755 -6.768 1.00 0.00 C ATOM 550 CD GLU A 36 -19.382 7.800 -7.302 1.00 0.00 C ATOM 551 OE1 GLU A 36 -18.894 8.849 -7.774 1.00 0.00 O ATOM 552 OE2 GLU A 36 -20.599 7.525 -7.226 1.00 0.00 O ATOM 0 H GLU A 36 -15.463 7.213 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.232 6.543 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.298 7.413 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.230 8.287 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.702 6.470 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.941 5.854 -6.480 1.00 0.00 H new ATOM 559 N LYS A 37 -17.359 4.330 -4.236 1.00 0.00 N ATOM 560 CA LYS A 37 -17.790 2.942 -4.233 1.00 0.00 C ATOM 561 C LYS A 37 -16.578 2.036 -4.454 1.00 0.00 C ATOM 562 O LYS A 37 -16.675 1.018 -5.138 1.00 0.00 O ATOM 563 CB LYS A 37 -18.912 2.727 -5.251 1.00 0.00 C ATOM 564 CG LYS A 37 -20.124 3.601 -4.924 1.00 0.00 C ATOM 565 CD LYS A 37 -21.398 3.028 -5.549 1.00 0.00 C ATOM 566 CE LYS A 37 -21.341 3.104 -7.076 1.00 0.00 C ATOM 567 NZ LYS A 37 -22.700 2.990 -7.652 1.00 0.00 N ATOM 0 H LYS A 37 -17.452 4.807 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.214 2.677 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.550 2.961 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.207 1.678 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.245 3.672 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.957 4.613 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.526 1.991 -5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -22.265 3.579 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.888 4.047 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.708 2.305 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.643 3.043 -8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.119 2.080 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.294 3.767 -7.297 1.00 0.00 H new ATOM 581 N SER A 38 -15.463 2.437 -3.860 1.00 0.00 N ATOM 582 CA SER A 38 -14.233 1.674 -3.983 1.00 0.00 C ATOM 583 C SER A 38 -13.937 0.943 -2.672 1.00 0.00 C ATOM 584 O SER A 38 -13.687 1.576 -1.647 1.00 0.00 O ATOM 585 CB SER A 38 -13.059 2.578 -4.363 1.00 0.00 C ATOM 586 OG SER A 38 -13.086 2.937 -5.742 1.00 0.00 O ATOM 0 H SER A 38 -15.386 3.281 -3.292 1.00 0.00 H new ATOM 0 HA SER A 38 -14.364 0.941 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.084 3.481 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.122 2.068 -4.139 1.00 0.00 H new ATOM 0 HG SER A 38 -12.170 3.077 -6.061 1.00 0.00 H new ATOM 592 N TYR A 39 -13.976 -0.379 -2.747 1.00 0.00 N ATOM 593 CA TYR A 39 -13.716 -1.203 -1.578 1.00 0.00 C ATOM 594 C TYR A 39 -12.233 -1.571 -1.486 1.00 0.00 C ATOM 595 O TYR A 39 -11.744 -2.391 -2.261 1.00 0.00 O ATOM 596 CB TYR A 39 -14.535 -2.480 -1.771 1.00 0.00 C ATOM 597 CG TYR A 39 -15.936 -2.420 -1.160 1.00 0.00 C ATOM 598 CD1 TYR A 39 -16.765 -1.353 -1.440 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.370 -3.432 -0.328 1.00 0.00 C ATOM 600 CE1 TYR A 39 -18.084 -1.296 -0.864 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.689 -3.375 0.247 1.00 0.00 C ATOM 602 CZ TYR A 39 -18.481 -2.310 -0.049 1.00 0.00 C ATOM 603 OH TYR A 39 -19.726 -2.256 0.495 1.00 0.00 O ATOM 0 H TYR A 39 -14.184 -0.900 -3.599 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.983 -0.670 -0.666 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -14.624 -2.684 -2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.993 -3.317 -1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -16.425 -0.561 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -15.721 -4.266 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.743 -0.467 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.041 -4.161 0.899 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.873 -3.047 1.054 1.00 0.00 H new ATOM 613 N LEU A 40 -11.559 -0.946 -0.532 1.00 0.00 N ATOM 614 CA LEU A 40 -10.143 -1.197 -0.328 1.00 0.00 C ATOM 615 C LEU A 40 -9.953 -2.617 0.208 1.00 0.00 C ATOM 616 O LEU A 40 -9.322 -3.451 -0.440 1.00 0.00 O ATOM 617 CB LEU A 40 -9.529 -0.116 0.563 1.00 0.00 C ATOM 618 CG LEU A 40 -9.256 1.232 -0.108 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.561 1.908 -0.533 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.411 2.133 0.794 1.00 0.00 C ATOM 0 H LEU A 40 -11.968 -0.266 0.109 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.606 -1.139 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.195 0.050 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.590 -0.496 0.966 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.678 1.051 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.338 2.864 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.089 1.267 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.187 2.075 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.232 3.084 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.940 2.310 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.458 1.648 1.003 1.00 0.00 H new ATOM 632 N VAL A 41 -10.511 -2.849 1.387 1.00 0.00 N ATOM 633 CA VAL A 41 -10.412 -4.154 2.019 1.00 0.00 C ATOM 634 C VAL A 41 -11.807 -4.620 2.440 1.00 0.00 C ATOM 635 O VAL A 41 -12.711 -3.805 2.614 1.00 0.00 O ATOM 636 CB VAL A 41 -9.423 -4.097 3.185 1.00 0.00 C ATOM 637 CG1 VAL A 41 -8.031 -3.683 2.704 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.926 -3.159 4.284 1.00 0.00 C ATOM 0 H VAL A 41 -11.033 -2.155 1.922 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.023 -4.890 1.316 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.346 -5.098 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.348 -3.650 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.668 -4.406 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.084 -2.697 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.205 -3.136 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.046 -2.155 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.886 -3.517 4.657 1.00 0.00 H new ATOM 648 N ARG A 42 -11.938 -5.930 2.591 1.00 0.00 N ATOM 649 CA ARG A 42 -13.207 -6.515 2.988 1.00 0.00 C ATOM 650 C ARG A 42 -12.991 -7.561 4.083 1.00 0.00 C ATOM 651 O ARG A 42 -11.854 -7.918 4.390 1.00 0.00 O ATOM 652 CB ARG A 42 -13.908 -7.171 1.797 1.00 0.00 C ATOM 653 CG ARG A 42 -14.558 -6.119 0.895 1.00 0.00 C ATOM 654 CD ARG A 42 -13.986 -6.184 -0.523 1.00 0.00 C ATOM 655 NE ARG A 42 -14.114 -7.558 -1.057 1.00 0.00 N ATOM 656 CZ ARG A 42 -13.742 -7.921 -2.293 1.00 0.00 C ATOM 657 NH1 ARG A 42 -13.218 -7.014 -3.128 1.00 0.00 N ATOM 658 NH2 ARG A 42 -13.895 -9.191 -2.692 1.00 0.00 N ATOM 0 H ARG A 42 -11.185 -6.603 2.445 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.837 -5.711 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.188 -7.753 1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.667 -7.867 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.636 -6.277 0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.394 -5.125 1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.514 -5.483 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.938 -5.884 -0.516 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.510 -8.273 -0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.102 -6.047 -2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.935 -7.290 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.294 -9.881 -2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.612 -9.468 -3.632 1.00 0.00 H new ATOM 672 N GLU A 43 -14.099 -8.023 4.643 1.00 0.00 N ATOM 673 CA GLU A 43 -14.045 -9.021 5.698 1.00 0.00 C ATOM 674 C GLU A 43 -14.335 -10.411 5.128 1.00 0.00 C ATOM 675 O GLU A 43 -15.473 -10.715 4.773 1.00 0.00 O ATOM 676 CB GLU A 43 -15.016 -8.678 6.828 1.00 0.00 C ATOM 677 CG GLU A 43 -14.431 -9.060 8.189 1.00 0.00 C ATOM 678 CD GLU A 43 -13.131 -8.300 8.460 1.00 0.00 C ATOM 679 OE1 GLU A 43 -12.894 -7.306 7.739 1.00 0.00 O ATOM 680 OE2 GLU A 43 -12.404 -8.729 9.382 1.00 0.00 O ATOM 0 H GLU A 43 -15.040 -7.725 4.386 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.039 -9.024 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.238 -7.611 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.959 -9.202 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.155 -8.841 8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.242 -10.133 8.219 1.00 0.00 H new ATOM 687 N GLY A 44 -13.287 -11.218 5.059 1.00 0.00 N ATOM 688 CA GLY A 44 -13.415 -12.569 4.539 1.00 0.00 C ATOM 689 C GLY A 44 -12.480 -12.789 3.349 1.00 0.00 C ATOM 690 O GLY A 44 -12.177 -13.928 2.994 1.00 0.00 O ATOM 0 H GLY A 44 -12.345 -10.962 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.185 -13.288 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.446 -12.749 4.234 1.00 0.00 H new ATOM 694 N ASP A 45 -12.048 -11.682 2.764 1.00 0.00 N ATOM 695 CA ASP A 45 -11.153 -11.739 1.620 1.00 0.00 C ATOM 696 C ASP A 45 -9.717 -11.494 2.089 1.00 0.00 C ATOM 697 O ASP A 45 -9.495 -10.821 3.093 1.00 0.00 O ATOM 698 CB ASP A 45 -11.504 -10.663 0.591 1.00 0.00 C ATOM 699 CG ASP A 45 -11.307 -9.223 1.068 1.00 0.00 C ATOM 700 OD1 ASP A 45 -11.563 -8.982 2.267 1.00 0.00 O ATOM 701 OD2 ASP A 45 -10.904 -8.395 0.222 1.00 0.00 O ATOM 0 H ASP A 45 -12.301 -10.739 3.061 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.255 -12.723 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.896 -10.821 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.545 -10.792 0.293 1.00 0.00 H new ATOM 706 N PRO A 46 -8.755 -12.070 1.319 1.00 0.00 N ATOM 707 CA PRO A 46 -7.347 -11.921 1.644 1.00 0.00 C ATOM 708 C PRO A 46 -6.846 -10.520 1.285 1.00 0.00 C ATOM 709 O PRO A 46 -7.554 -9.752 0.635 1.00 0.00 O ATOM 710 CB PRO A 46 -6.644 -13.021 0.866 1.00 0.00 C ATOM 711 CG PRO A 46 -7.616 -13.448 -0.222 1.00 0.00 C ATOM 712 CD PRO A 46 -8.982 -12.874 0.122 1.00 0.00 C ATOM 0 HA PRO A 46 -7.150 -12.019 2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.710 -12.659 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.392 -13.859 1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.284 -13.086 -1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.664 -14.535 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.374 -12.267 -0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.709 -13.665 0.308 1.00 0.00 H new ATOM 720 N VAL A 47 -5.630 -10.231 1.723 1.00 0.00 N ATOM 721 CA VAL A 47 -5.026 -8.937 1.455 1.00 0.00 C ATOM 722 C VAL A 47 -3.841 -9.118 0.504 1.00 0.00 C ATOM 723 O VAL A 47 -2.808 -9.661 0.892 1.00 0.00 O ATOM 724 CB VAL A 47 -4.639 -8.258 2.771 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.242 -6.798 2.538 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.770 -8.362 3.795 1.00 0.00 C ATOM 0 H VAL A 47 -5.046 -10.871 2.262 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.740 -8.277 0.962 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.772 -8.781 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.972 -6.338 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.390 -6.756 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.081 -6.258 2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.469 -7.872 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.663 -7.877 3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.985 -9.412 3.994 1.00 0.00 H new ATOM 736 N ASN A 48 -4.031 -8.654 -0.722 1.00 0.00 N ATOM 737 CA ASN A 48 -2.991 -8.758 -1.731 1.00 0.00 C ATOM 738 C ASN A 48 -2.017 -7.588 -1.576 1.00 0.00 C ATOM 739 O ASN A 48 -0.802 -7.777 -1.621 1.00 0.00 O ATOM 740 CB ASN A 48 -3.583 -8.697 -3.140 1.00 0.00 C ATOM 741 CG ASN A 48 -2.991 -9.791 -4.031 1.00 0.00 C ATOM 742 OD1 ASN A 48 -3.198 -10.976 -3.824 1.00 0.00 O ATOM 743 ND2 ASN A 48 -2.245 -9.331 -5.031 1.00 0.00 N ATOM 0 H ASN A 48 -4.890 -8.205 -1.040 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.483 -9.713 -1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.666 -8.811 -3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.386 -7.719 -3.579 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.806 -9.983 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.112 -8.326 -5.148 1.00 0.00 H new ATOM 750 N GLU A 49 -2.587 -6.405 -1.397 1.00 0.00 N ATOM 751 CA GLU A 49 -1.784 -5.205 -1.236 1.00 0.00 C ATOM 752 C GLU A 49 -2.376 -4.314 -0.141 1.00 0.00 C ATOM 753 O GLU A 49 -3.584 -4.329 0.091 1.00 0.00 O ATOM 754 CB GLU A 49 -1.664 -4.443 -2.557 1.00 0.00 C ATOM 755 CG GLU A 49 -3.041 -4.022 -3.074 1.00 0.00 C ATOM 756 CD GLU A 49 -3.820 -5.228 -3.604 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.392 -5.766 -4.648 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.826 -5.585 -2.953 1.00 0.00 O ATOM 0 H GLU A 49 -3.595 -6.252 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.780 -5.502 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.039 -3.561 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.169 -5.070 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.604 -3.545 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.925 -3.282 -3.866 1.00 0.00 H new ATOM 765 N MET A 50 -1.497 -3.559 0.502 1.00 0.00 N ATOM 766 CA MET A 50 -1.918 -2.664 1.567 1.00 0.00 C ATOM 767 C MET A 50 -2.071 -1.232 1.050 1.00 0.00 C ATOM 768 O MET A 50 -1.325 -0.802 0.172 1.00 0.00 O ATOM 769 CB MET A 50 -0.885 -2.691 2.695 1.00 0.00 C ATOM 770 CG MET A 50 -1.321 -1.800 3.859 1.00 0.00 C ATOM 771 SD MET A 50 -0.777 -2.506 5.406 1.00 0.00 S ATOM 772 CE MET A 50 -0.620 -1.022 6.386 1.00 0.00 C ATOM 0 H MET A 50 -0.496 -3.549 0.306 1.00 0.00 H new ATOM 0 HA MET A 50 -2.885 -3.002 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.751 -3.714 3.046 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.080 -2.355 2.317 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.903 -0.801 3.739 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.406 -1.694 3.860 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.186 -1.147 7.109 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.396 -0.178 5.734 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.555 -0.834 6.914 1.00 0.00 H new ATOM 782 N LEU A 51 -3.045 -0.534 1.616 1.00 0.00 N ATOM 783 CA LEU A 51 -3.306 0.840 1.223 1.00 0.00 C ATOM 784 C LEU A 51 -2.977 1.772 2.392 1.00 0.00 C ATOM 785 O LEU A 51 -3.500 1.602 3.492 1.00 0.00 O ATOM 786 CB LEU A 51 -4.738 0.987 0.705 1.00 0.00 C ATOM 787 CG LEU A 51 -5.039 0.313 -0.635 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.826 0.379 -1.566 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.527 -1.122 -0.431 1.00 0.00 C ATOM 0 H LEU A 51 -3.663 -0.894 2.343 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.660 1.127 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.418 0.581 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.963 2.050 0.613 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.847 0.861 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.066 -0.107 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.565 1.421 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.982 -0.130 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.734 -1.577 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.758 -1.698 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.438 -1.115 0.168 1.00 0.00 H new ATOM 801 N PHE A 52 -2.111 2.735 2.113 1.00 0.00 N ATOM 802 CA PHE A 52 -1.705 3.693 3.127 1.00 0.00 C ATOM 803 C PHE A 52 -2.363 5.054 2.890 1.00 0.00 C ATOM 804 O PHE A 52 -1.923 5.819 2.033 1.00 0.00 O ATOM 805 CB PHE A 52 -0.187 3.847 3.016 1.00 0.00 C ATOM 806 CG PHE A 52 0.597 2.604 3.441 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.771 1.578 2.566 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.121 2.526 4.693 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.499 0.424 2.960 1.00 0.00 C ATOM 810 CE2 PHE A 52 1.849 1.373 5.088 1.00 0.00 C ATOM 811 CZ PHE A 52 2.023 0.346 4.213 1.00 0.00 C ATOM 0 H PHE A 52 -1.679 2.872 1.199 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.006 3.340 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.069 4.090 1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.128 4.690 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.355 1.641 1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.983 3.342 5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.637 -0.391 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.265 1.311 6.083 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.577 -0.531 4.513 1.00 0.00 H new ATOM 821 N ILE A 53 -3.406 5.314 3.664 1.00 0.00 N ATOM 822 CA ILE A 53 -4.129 6.570 3.549 1.00 0.00 C ATOM 823 C ILE A 53 -3.159 7.733 3.763 1.00 0.00 C ATOM 824 O ILE A 53 -2.497 7.812 4.797 1.00 0.00 O ATOM 825 CB ILE A 53 -5.329 6.586 4.498 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.313 5.465 4.158 1.00 0.00 C ATOM 827 CG2 ILE A 53 -6.004 7.959 4.505 1.00 0.00 C ATOM 828 CD1 ILE A 53 -6.872 5.636 2.745 1.00 0.00 C ATOM 0 H ILE A 53 -3.768 4.677 4.373 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.544 6.681 2.547 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.967 6.400 5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.813 4.500 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.131 5.463 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.854 7.943 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.289 8.714 4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.350 8.199 3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.569 4.826 2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.392 6.591 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.054 5.613 2.025 1.00 0.00 H new ATOM 840 N ILE A 54 -3.106 8.608 2.770 1.00 0.00 N ATOM 841 CA ILE A 54 -2.228 9.764 2.836 1.00 0.00 C ATOM 842 C ILE A 54 -3.046 10.999 3.220 1.00 0.00 C ATOM 843 O ILE A 54 -2.655 11.756 4.107 1.00 0.00 O ATOM 844 CB ILE A 54 -1.451 9.923 1.528 1.00 0.00 C ATOM 845 CG1 ILE A 54 -0.848 8.589 1.083 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.390 11.019 1.650 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.359 8.216 1.947 1.00 0.00 C ATOM 0 H ILE A 54 -3.657 8.540 1.914 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.475 9.626 3.612 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.149 10.236 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.603 7.805 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.545 8.653 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.148 11.111 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.872 11.967 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.311 10.760 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.768 7.264 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.122 8.990 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.048 8.128 2.988 1.00 0.00 H new ATOM 859 N ARG A 55 -4.166 11.164 2.532 1.00 0.00 N ATOM 860 CA ARG A 55 -5.042 12.294 2.789 1.00 0.00 C ATOM 861 C ARG A 55 -6.402 12.074 2.123 1.00 0.00 C ATOM 862 O ARG A 55 -6.533 12.220 0.909 1.00 0.00 O ATOM 863 CB ARG A 55 -4.430 13.596 2.266 1.00 0.00 C ATOM 864 CG ARG A 55 -4.532 14.708 3.311 1.00 0.00 C ATOM 865 CD ARG A 55 -4.668 16.078 2.642 1.00 0.00 C ATOM 866 NE ARG A 55 -6.024 16.622 2.874 1.00 0.00 N ATOM 867 CZ ARG A 55 -6.514 17.707 2.259 1.00 0.00 C ATOM 868 NH1 ARG A 55 -5.761 18.370 1.371 1.00 0.00 N ATOM 869 NH2 ARG A 55 -7.756 18.129 2.531 1.00 0.00 N ATOM 0 H ARG A 55 -4.487 10.534 1.797 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.171 12.374 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.384 13.432 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.942 13.902 1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.391 14.528 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.647 14.696 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.919 16.763 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.481 15.989 1.572 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.624 16.141 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.815 18.049 1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.133 19.196 0.902 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.330 17.624 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.128 18.955 2.062 1.00 0.00 H new ATOM 883 N GLY A 56 -7.379 11.726 2.947 1.00 0.00 N ATOM 884 CA GLY A 56 -8.724 11.484 2.454 1.00 0.00 C ATOM 885 C GLY A 56 -9.638 10.984 3.574 1.00 0.00 C ATOM 886 O GLY A 56 -9.286 11.067 4.750 1.00 0.00 O ATOM 0 H GLY A 56 -7.266 11.606 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.131 12.403 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.693 10.749 1.650 1.00 0.00 H new ATOM 890 N ARG A 57 -10.793 10.477 3.170 1.00 0.00 N ATOM 891 CA ARG A 57 -11.760 9.964 4.126 1.00 0.00 C ATOM 892 C ARG A 57 -12.266 8.590 3.682 1.00 0.00 C ATOM 893 O ARG A 57 -12.191 8.247 2.503 1.00 0.00 O ATOM 894 CB ARG A 57 -12.949 10.915 4.271 1.00 0.00 C ATOM 895 CG ARG A 57 -12.606 12.084 5.197 1.00 0.00 C ATOM 896 CD ARG A 57 -13.487 12.069 6.448 1.00 0.00 C ATOM 897 NE ARG A 57 -14.295 13.308 6.512 1.00 0.00 N ATOM 898 CZ ARG A 57 -15.398 13.523 5.782 1.00 0.00 C ATOM 899 NH1 ARG A 57 -15.831 12.585 4.928 1.00 0.00 N ATOM 900 NH2 ARG A 57 -16.069 14.677 5.906 1.00 0.00 N ATOM 0 H ARG A 57 -11.081 10.410 2.194 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.260 9.877 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.237 11.295 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.807 10.372 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.557 12.028 5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.740 13.026 4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.142 11.198 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.866 11.983 7.340 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.993 14.043 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.321 11.707 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.671 12.749 4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.740 15.391 6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.909 14.841 5.350 1.00 0.00 H new ATOM 914 N LEU A 58 -12.772 7.840 4.651 1.00 0.00 N ATOM 915 CA LEU A 58 -13.291 6.511 4.375 1.00 0.00 C ATOM 916 C LEU A 58 -14.243 6.097 5.498 1.00 0.00 C ATOM 917 O LEU A 58 -14.340 6.778 6.518 1.00 0.00 O ATOM 918 CB LEU A 58 -12.144 5.525 4.146 1.00 0.00 C ATOM 919 CG LEU A 58 -11.443 5.614 2.789 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.187 6.483 2.877 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.138 4.220 2.237 1.00 0.00 C ATOM 0 H LEU A 58 -12.833 8.128 5.628 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.869 6.512 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.400 5.677 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.531 4.513 4.267 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.121 6.098 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.708 6.530 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.462 7.489 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.495 6.050 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.640 4.312 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.488 3.688 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.069 3.666 2.114 1.00 0.00 H new ATOM 933 N GLU A 59 -14.923 4.982 5.274 1.00 0.00 N ATOM 934 CA GLU A 59 -15.864 4.469 6.254 1.00 0.00 C ATOM 935 C GLU A 59 -15.514 3.026 6.622 1.00 0.00 C ATOM 936 O GLU A 59 -15.482 2.151 5.758 1.00 0.00 O ATOM 937 CB GLU A 59 -17.302 4.570 5.740 1.00 0.00 C ATOM 938 CG GLU A 59 -17.659 3.363 4.870 1.00 0.00 C ATOM 939 CD GLU A 59 -19.047 3.527 4.247 1.00 0.00 C ATOM 940 OE1 GLU A 59 -19.928 4.056 4.958 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.194 3.120 3.075 1.00 0.00 O ATOM 0 H GLU A 59 -14.841 4.419 4.427 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.791 5.081 7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.990 4.631 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.422 5.487 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.915 3.245 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.632 2.455 5.473 1.00 0.00 H new ATOM 948 N SER A 60 -15.259 2.821 7.907 1.00 0.00 N ATOM 949 CA SER A 60 -14.912 1.499 8.400 1.00 0.00 C ATOM 950 C SER A 60 -16.157 0.804 8.954 1.00 0.00 C ATOM 951 O SER A 60 -16.878 1.374 9.772 1.00 0.00 O ATOM 952 CB SER A 60 -13.826 1.580 9.474 1.00 0.00 C ATOM 953 OG SER A 60 -13.432 0.289 9.932 1.00 0.00 O ATOM 0 H SER A 60 -15.286 3.549 8.621 1.00 0.00 H new ATOM 0 HA SER A 60 -14.519 0.915 7.568 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.958 2.103 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.192 2.168 10.316 1.00 0.00 H new ATOM 0 HG SER A 60 -12.736 0.383 10.616 1.00 0.00 H new ATOM 959 N VAL A 61 -16.372 -0.417 8.487 1.00 0.00 N ATOM 960 CA VAL A 61 -17.517 -1.196 8.926 1.00 0.00 C ATOM 961 C VAL A 61 -17.081 -2.642 9.172 1.00 0.00 C ATOM 962 O VAL A 61 -16.190 -3.150 8.493 1.00 0.00 O ATOM 963 CB VAL A 61 -18.651 -1.080 7.906 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.519 -2.339 7.905 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.496 0.169 8.166 1.00 0.00 C ATOM 0 H VAL A 61 -15.772 -0.886 7.808 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.904 -0.808 9.868 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.203 -0.982 6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.317 -2.230 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -18.906 -3.203 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.953 -2.483 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.295 0.228 7.427 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -19.929 0.114 9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -18.867 1.056 8.091 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.238 0.734 12.519 1.00 0.00 N ATOM 1127 CA ARG A 73 -19.692 1.664 11.545 1.00 0.00 C ATOM 1128 C ARG A 73 -18.743 2.651 12.227 1.00 0.00 C ATOM 1129 O ARG A 73 -18.899 2.951 13.410 1.00 0.00 O ATOM 1130 CB ARG A 73 -20.806 2.441 10.842 1.00 0.00 C ATOM 1131 CG ARG A 73 -20.243 3.304 9.711 1.00 0.00 C ATOM 1132 CD ARG A 73 -21.311 3.586 8.652 1.00 0.00 C ATOM 1133 NE ARG A 73 -22.140 4.740 9.064 1.00 0.00 N ATOM 1134 CZ ARG A 73 -21.794 6.020 8.870 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -20.634 6.317 8.269 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -22.609 7.004 9.276 1.00 0.00 N ATOM 0 HA ARG A 73 -19.145 1.083 10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -21.543 1.745 10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.324 3.073 11.563 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.871 4.245 10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.394 2.798 9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.838 3.792 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.940 2.706 8.515 1.00 0.00 H new ATOM 0 HE ARG A 73 -23.030 4.550 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -20.014 5.569 7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.371 7.291 8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -23.493 6.778 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.345 7.978 9.128 1.00 0.00 H new ATOM 1150 N SER A 74 -17.780 3.128 11.452 1.00 0.00 N ATOM 1151 CA SER A 74 -16.805 4.075 11.967 1.00 0.00 C ATOM 1152 C SER A 74 -16.183 4.865 10.814 1.00 0.00 C ATOM 1153 O SER A 74 -16.444 4.575 9.647 1.00 0.00 O ATOM 1154 CB SER A 74 -15.715 3.362 12.770 1.00 0.00 C ATOM 1155 OG SER A 74 -14.523 4.138 12.859 1.00 0.00 O ATOM 0 H SER A 74 -17.654 2.877 10.472 1.00 0.00 H new ATOM 0 HA SER A 74 -17.319 4.765 12.636 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.085 3.149 13.773 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.489 2.403 12.303 1.00 0.00 H new ATOM 0 HG SER A 74 -13.853 3.649 13.380 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.374 5.847 11.180 1.00 0.00 N ATOM 1162 CA LEU A 75 -14.713 6.681 10.191 1.00 0.00 C ATOM 1163 C LEU A 75 -13.203 6.659 10.437 1.00 0.00 C ATOM 1164 O LEU A 75 -12.759 6.517 11.575 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.315 8.088 10.188 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.389 8.783 8.826 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.401 8.090 7.911 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.689 10.274 8.988 1.00 0.00 C ATOM 0 H LEU A 75 -15.161 6.084 12.149 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.878 6.286 9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.322 8.032 10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.730 8.714 10.862 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.414 8.701 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.434 8.604 6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.103 7.053 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.388 8.119 8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.736 10.744 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.645 10.400 9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.900 10.742 9.577 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.456 6.802 9.353 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.006 6.800 9.437 1.00 0.00 C ATOM 1182 C LEU A 76 -10.477 8.192 9.085 1.00 0.00 C ATOM 1183 O LEU A 76 -10.622 8.646 7.951 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.420 5.683 8.572 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.051 4.300 8.745 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.559 3.333 7.666 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -10.806 3.758 10.155 1.00 0.00 C ATOM 0 H LEU A 76 -12.828 6.920 8.411 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.684 6.584 10.456 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.512 5.974 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.355 5.604 8.788 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.129 4.399 8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.023 2.358 7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.827 3.718 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.476 3.233 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.265 2.774 10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.734 3.677 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.245 4.436 10.887 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.875 8.830 10.077 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.324 10.161 9.886 1.00 0.00 C ATOM 1201 C LYS A 77 -8.005 10.057 9.117 1.00 0.00 C ATOM 1202 O LYS A 77 -7.622 8.973 8.679 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.197 10.886 11.228 1.00 0.00 C ATOM 1204 CG LYS A 77 -10.360 11.858 11.437 1.00 0.00 C ATOM 1205 CD LYS A 77 -9.859 13.300 11.535 1.00 0.00 C ATOM 1206 CE LYS A 77 -9.077 13.695 10.280 1.00 0.00 C ATOM 1207 NZ LYS A 77 -9.371 15.096 9.905 1.00 0.00 N ATOM 0 H LYS A 77 -9.756 8.450 11.016 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.998 10.769 9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.177 10.158 12.039 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.253 11.429 11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.065 11.770 10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.900 11.594 12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.705 13.974 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.223 13.409 12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.008 13.577 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.338 13.030 9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.832 15.347 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.388 15.198 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.099 15.728 10.685 1.00 0.00 H new ATOM 1221 N GLU A 78 -7.348 11.198 8.976 1.00 0.00 N ATOM 1222 CA GLU A 78 -6.080 11.249 8.267 1.00 0.00 C ATOM 1223 C GLU A 78 -4.952 10.724 9.158 1.00 0.00 C ATOM 1224 O GLU A 78 -4.704 11.264 10.234 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.780 12.669 7.782 1.00 0.00 C ATOM 1226 CG GLU A 78 -6.701 13.059 6.624 1.00 0.00 C ATOM 1227 CD GLU A 78 -7.049 14.548 6.678 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -6.152 15.326 7.068 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -8.203 14.874 6.326 1.00 0.00 O ATOM 0 H GLU A 78 -7.669 12.095 9.340 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.151 10.608 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.907 13.373 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.740 12.736 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.216 12.829 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.615 12.466 6.666 1.00 0.00 H new ATOM 1236 N GLY A 79 -4.300 9.677 8.675 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.204 9.072 9.414 1.00 0.00 C ATOM 1238 C GLY A 79 -3.465 7.585 9.662 1.00 0.00 C ATOM 1239 O GLY A 79 -2.527 6.806 9.822 1.00 0.00 O ATOM 0 H GLY A 79 -4.509 9.232 7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.275 9.194 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.075 9.586 10.366 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.743 7.237 9.687 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.138 5.857 9.913 1.00 0.00 C ATOM 1245 C ASP A 80 -4.875 5.042 8.645 1.00 0.00 C ATOM 1246 O ASP A 80 -4.801 5.597 7.550 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.630 5.758 10.237 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.048 4.484 10.973 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -6.935 4.484 12.218 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -7.472 3.538 10.274 1.00 0.00 O ATOM 0 H ASP A 80 -5.518 7.887 9.555 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.560 5.474 10.754 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.913 6.619 10.843 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.194 5.824 9.306 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.741 3.737 8.837 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.488 2.840 7.722 1.00 0.00 C ATOM 1257 C PHE A 81 -5.500 1.692 7.702 1.00 0.00 C ATOM 1258 O PHE A 81 -6.341 1.585 8.593 1.00 0.00 O ATOM 1259 CB PHE A 81 -3.085 2.263 7.922 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.589 2.320 9.369 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.865 1.297 10.222 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.874 3.392 9.802 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.406 1.349 11.565 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.414 3.444 11.144 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.690 2.421 11.998 1.00 0.00 C ATOM 0 H PHE A 81 -4.803 3.280 9.747 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.575 3.382 6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.079 1.226 7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.386 2.807 7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.433 0.445 9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.656 4.204 9.125 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.626 0.537 12.242 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.845 4.295 11.487 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.341 2.460 13.019 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.385 0.863 6.675 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.279 -0.272 6.526 1.00 0.00 C ATOM 1277 C CYS A 82 -5.434 -1.516 6.242 1.00 0.00 C ATOM 1278 O CYS A 82 -4.258 -1.406 5.895 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.324 -0.031 5.435 1.00 0.00 C ATOM 1280 SG CYS A 82 -6.534 0.730 3.969 1.00 0.00 S ATOM 0 H CYS A 82 -4.686 0.955 5.938 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.841 -0.418 7.449 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -7.795 -0.974 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.113 0.620 5.813 1.00 0.00 H new ATOM 0 HG CYS A 82 -5.243 0.728 4.122 1.00 0.00 H new ATOM 1286 N GLY A 83 -6.065 -2.670 6.399 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.385 -3.932 6.163 1.00 0.00 C ATOM 1288 C GLY A 83 -3.942 -3.882 6.670 1.00 0.00 C ATOM 1289 O GLY A 83 -3.022 -4.310 5.976 1.00 0.00 O ATOM 0 H GLY A 83 -7.040 -2.758 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.922 -4.738 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.392 -4.159 5.097 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.791 -3.354 7.876 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.476 -3.241 8.483 1.00 0.00 C ATOM 1295 C ASP A 84 -1.937 -4.641 8.785 1.00 0.00 C ATOM 1296 O ASP A 84 -0.757 -4.802 9.094 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.542 -2.466 9.801 1.00 0.00 C ATOM 1298 CG ASP A 84 -2.927 -3.301 11.024 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -4.148 -3.446 11.250 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -1.992 -3.775 11.704 1.00 0.00 O ATOM 0 H ASP A 84 -4.557 -3.000 8.449 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.827 -2.712 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.570 -2.007 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.262 -1.655 9.692 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.827 -5.617 8.684 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.455 -6.998 8.943 1.00 0.00 C ATOM 1307 C GLU A 85 -1.325 -7.428 8.005 1.00 0.00 C ATOM 1308 O GLU A 85 -0.465 -8.220 8.387 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.664 -7.926 8.806 1.00 0.00 C ATOM 1310 CG GLU A 85 -4.690 -7.656 9.908 1.00 0.00 C ATOM 1311 CD GLU A 85 -4.652 -8.753 10.974 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -4.446 -9.921 10.579 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -4.828 -8.399 12.160 1.00 0.00 O ATOM 0 H GLU A 85 -3.804 -5.479 8.427 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.096 -7.071 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.128 -7.784 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.337 -8.965 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.488 -6.689 10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.688 -7.600 9.474 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.364 -6.886 6.797 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.353 -7.204 5.802 1.00 0.00 C ATOM 1322 C LEU A 86 1.034 -6.924 6.382 1.00 0.00 C ATOM 1323 O LEU A 86 1.881 -7.814 6.434 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.635 -6.459 4.495 1.00 0.00 C ATOM 1325 CG LEU A 86 0.200 -6.885 3.286 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.144 -8.313 2.858 1.00 0.00 C ATOM 1327 CD2 LEU A 86 0.047 -5.889 2.135 1.00 0.00 C ATOM 0 H LEU A 86 -2.079 -6.229 6.484 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.386 -8.264 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.689 -6.587 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.475 -5.394 4.665 1.00 0.00 H new ATOM 0 HG LEU A 86 1.250 -6.880 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.464 -8.591 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.058 -8.998 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.199 -8.368 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.651 -6.216 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.000 -5.837 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.381 -4.903 2.460 1.00 0.00 H new ATOM 1339 N LEU A 87 1.224 -5.682 6.805 1.00 0.00 N ATOM 1340 CA LEU A 87 2.494 -5.274 7.380 1.00 0.00 C ATOM 1341 C LEU A 87 3.000 -6.369 8.320 1.00 0.00 C ATOM 1342 O LEU A 87 4.141 -6.813 8.205 1.00 0.00 O ATOM 1343 CB LEU A 87 2.364 -3.903 8.046 1.00 0.00 C ATOM 1344 CG LEU A 87 3.437 -2.874 7.681 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.319 -2.457 6.214 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.387 -1.671 8.625 1.00 0.00 C ATOM 0 H LEU A 87 0.520 -4.946 6.761 1.00 0.00 H new ATOM 0 HA LEU A 87 3.244 -5.154 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.389 -3.488 7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.377 -4.044 9.127 1.00 0.00 H new ATOM 0 HG LEU A 87 4.414 -3.340 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.093 -1.725 5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.442 -3.332 5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.338 -2.016 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.160 -0.955 8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.409 -1.195 8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.557 -2.005 9.649 1.00 0.00 H new ATOM 1358 N THR A 88 2.125 -6.774 9.229 1.00 0.00 N ATOM 1359 CA THR A 88 2.468 -7.810 10.189 1.00 0.00 C ATOM 1360 C THR A 88 2.683 -9.147 9.477 1.00 0.00 C ATOM 1361 O THR A 88 3.625 -9.875 9.787 1.00 0.00 O ATOM 1362 CB THR A 88 1.366 -7.857 11.249 1.00 0.00 C ATOM 1363 OG1 THR A 88 1.938 -7.196 12.374 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.094 -9.277 11.748 1.00 0.00 C ATOM 0 H THR A 88 1.179 -6.404 9.321 1.00 0.00 H new ATOM 0 HA THR A 88 3.411 -7.588 10.689 1.00 0.00 H new ATOM 0 HB THR A 88 0.449 -7.436 10.838 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.289 -7.180 13.108 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.304 -9.254 12.498 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.782 -9.903 10.912 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.002 -9.688 12.190 1.00 0.00 H new ATOM 1372 N TRP A 89 1.795 -9.429 8.535 1.00 0.00 N ATOM 1373 CA TRP A 89 1.876 -10.665 7.776 1.00 0.00 C ATOM 1374 C TRP A 89 3.312 -10.816 7.269 1.00 0.00 C ATOM 1375 O TRP A 89 3.968 -11.819 7.542 1.00 0.00 O ATOM 1376 CB TRP A 89 0.839 -10.687 6.651 1.00 0.00 C ATOM 1377 CG TRP A 89 1.073 -11.784 5.610 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.641 -13.052 5.636 1.00 0.00 C ATOM 1379 CD2 TRP A 89 1.818 -11.657 4.380 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.051 -13.749 4.518 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.789 -12.874 3.730 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.493 -10.550 3.835 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.417 -13.100 2.499 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.115 -10.793 2.605 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.096 -12.012 1.937 1.00 0.00 C ATOM 0 H TRP A 89 1.016 -8.822 8.280 1.00 0.00 H new ATOM 0 HA TRP A 89 1.638 -11.521 8.407 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.152 -10.819 7.086 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.841 -9.719 6.150 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.047 -13.475 6.432 1.00 0.00 H new ATOM 0 HE1 TRP A 89 0.849 -14.727 4.308 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.529 -9.589 4.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.380 -14.062 2.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.648 -9.975 2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.602 -12.119 0.989 1.00 0.00 H new ATOM 1396 N ALA A 90 3.757 -9.803 6.539 1.00 0.00 N ATOM 1397 CA ALA A 90 5.103 -9.811 5.992 1.00 0.00 C ATOM 1398 C ALA A 90 6.105 -10.078 7.116 1.00 0.00 C ATOM 1399 O ALA A 90 6.861 -11.047 7.061 1.00 0.00 O ATOM 1400 CB ALA A 90 5.370 -8.485 5.276 1.00 0.00 C ATOM 0 H ALA A 90 3.210 -8.972 6.314 1.00 0.00 H new ATOM 0 HA ALA A 90 5.214 -10.608 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.380 -8.490 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.650 -8.357 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.271 -7.663 5.984 1.00 0.00 H new ATOM 1406 N LEU A 91 6.078 -9.203 8.110 1.00 0.00 N ATOM 1407 CA LEU A 91 6.975 -9.332 9.246 1.00 0.00 C ATOM 1408 C LEU A 91 6.830 -10.731 9.847 1.00 0.00 C ATOM 1409 O LEU A 91 7.744 -11.226 10.506 1.00 0.00 O ATOM 1410 CB LEU A 91 6.735 -8.203 10.250 1.00 0.00 C ATOM 1411 CG LEU A 91 7.748 -7.057 10.225 1.00 0.00 C ATOM 1412 CD1 LEU A 91 8.254 -6.803 8.804 1.00 0.00 C ATOM 1413 CD2 LEU A 91 7.162 -5.794 10.859 1.00 0.00 C ATOM 0 H LEU A 91 5.449 -8.401 8.153 1.00 0.00 H new ATOM 0 HA LEU A 91 8.012 -9.227 8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.743 -7.789 10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.725 -8.631 11.252 1.00 0.00 H new ATOM 0 HG LEU A 91 8.609 -7.349 10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.973 -5.984 8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.736 -7.703 8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.414 -6.541 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.902 -4.995 10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.274 -5.488 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.892 -5.999 11.895 1.00 0.00 H new ATOM 1425 N ASP A 92 5.675 -11.330 9.600 1.00 0.00 N ATOM 1426 CA ASP A 92 5.398 -12.663 10.109 1.00 0.00 C ATOM 1427 C ASP A 92 6.203 -13.688 9.307 1.00 0.00 C ATOM 1428 O ASP A 92 5.983 -13.856 8.109 1.00 0.00 O ATOM 1429 CB ASP A 92 3.915 -13.011 9.966 1.00 0.00 C ATOM 1430 CG ASP A 92 3.250 -13.543 11.237 1.00 0.00 C ATOM 1431 OD1 ASP A 92 3.253 -12.791 12.236 1.00 0.00 O ATOM 1432 OD2 ASP A 92 2.755 -14.689 11.181 1.00 0.00 O ATOM 0 H ASP A 92 4.919 -10.917 9.054 1.00 0.00 H new ATOM 0 HA ASP A 92 5.673 -12.685 11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.378 -12.121 9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.807 -13.756 9.178 1.00 0.00 H new ATOM 1437 N PRO A 93 7.145 -14.364 10.019 1.00 0.00 N ATOM 1438 CA PRO A 93 7.984 -15.367 9.387 1.00 0.00 C ATOM 1439 C PRO A 93 7.200 -16.657 9.133 1.00 0.00 C ATOM 1440 O PRO A 93 7.462 -17.366 8.163 1.00 0.00 O ATOM 1441 CB PRO A 93 9.152 -15.560 10.340 1.00 0.00 C ATOM 1442 CG PRO A 93 8.693 -15.007 11.679 1.00 0.00 C ATOM 1443 CD PRO A 93 7.434 -14.191 11.440 1.00 0.00 C ATOM 0 HA PRO A 93 8.337 -15.060 8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.418 -16.614 10.423 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.038 -15.035 9.983 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.495 -15.818 12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.472 -14.386 12.123 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.609 -14.545 12.058 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.590 -13.141 11.688 1.00 0.00 H new ATOM 1451 N LYS A 94 6.253 -16.921 10.022 1.00 0.00 N ATOM 1452 CA LYS A 94 5.430 -18.112 9.907 1.00 0.00 C ATOM 1453 C LYS A 94 4.732 -18.114 8.545 1.00 0.00 C ATOM 1454 O LYS A 94 4.624 -19.156 7.901 1.00 0.00 O ATOM 1455 CB LYS A 94 4.467 -18.215 11.092 1.00 0.00 C ATOM 1456 CG LYS A 94 5.226 -18.176 12.420 1.00 0.00 C ATOM 1457 CD LYS A 94 6.312 -19.253 12.462 1.00 0.00 C ATOM 1458 CE LYS A 94 6.431 -19.857 13.863 1.00 0.00 C ATOM 1459 NZ LYS A 94 7.547 -20.828 13.915 1.00 0.00 N ATOM 0 H LYS A 94 6.038 -16.330 10.825 1.00 0.00 H new ATOM 0 HA LYS A 94 6.049 -19.008 9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.750 -17.395 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.896 -19.141 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.678 -17.193 12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.530 -18.324 13.246 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.079 -20.038 11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.268 -18.822 12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.595 -19.065 14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.498 -20.351 14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.614 -21.229 14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.374 -21.592 13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.438 -20.346 13.678 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.233 -15.199 2.040 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.347 -13.773 2.293 1.00 0.00 C ATOM 1518 C LEU A 99 -3.173 -13.549 3.561 1.00 0.00 C ATOM 1519 O LEU A 99 -3.957 -14.410 3.956 1.00 0.00 O ATOM 1520 CB LEU A 99 -2.902 -13.053 1.062 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.103 -13.224 -0.231 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -2.936 -12.816 -1.448 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.778 -12.463 -0.163 1.00 0.00 C ATOM 0 HA LEU A 99 -1.364 -13.338 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.919 -13.405 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.968 -11.989 1.287 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.861 -14.281 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.345 -12.947 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.828 -13.439 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.229 -11.770 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.230 -12.602 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.975 -11.402 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.183 -12.842 0.668 1.00 0.00 H new ATOM 1535 N PRO A 100 -2.964 -12.356 4.180 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.680 -12.007 5.395 1.00 0.00 C ATOM 1537 C PRO A 100 -5.132 -11.633 5.088 1.00 0.00 C ATOM 1538 O PRO A 100 -5.504 -11.480 3.926 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.888 -10.862 6.005 1.00 0.00 C ATOM 1540 CG PRO A 100 -2.029 -10.306 4.881 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.044 -11.311 3.741 1.00 0.00 C ATOM 0 HA PRO A 100 -3.752 -12.840 6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.553 -10.096 6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.271 -11.211 6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.415 -9.343 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.009 -10.137 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.381 -10.851 2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.048 -11.713 3.554 1.00 0.00 H new ATOM 1549 N SER A 101 -5.912 -11.497 6.150 1.00 0.00 N ATOM 1550 CA SER A 101 -7.314 -11.143 6.009 1.00 0.00 C ATOM 1551 C SER A 101 -7.602 -9.838 6.753 1.00 0.00 C ATOM 1552 O SER A 101 -7.178 -9.663 7.894 1.00 0.00 O ATOM 1553 CB SER A 101 -8.219 -12.261 6.529 1.00 0.00 C ATOM 1554 OG SER A 101 -7.880 -12.648 7.858 1.00 0.00 O ATOM 0 H SER A 101 -5.599 -11.626 7.112 1.00 0.00 H new ATOM 0 HA SER A 101 -7.526 -11.004 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.257 -11.929 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.143 -13.125 5.869 1.00 0.00 H new ATOM 0 HG SER A 101 -8.482 -13.363 8.154 1.00 0.00 H new ATOM 1560 N SER A 102 -8.321 -8.954 6.076 1.00 0.00 N ATOM 1561 CA SER A 102 -8.671 -7.670 6.658 1.00 0.00 C ATOM 1562 C SER A 102 -9.428 -7.880 7.971 1.00 0.00 C ATOM 1563 O SER A 102 -9.911 -8.977 8.244 1.00 0.00 O ATOM 1564 CB SER A 102 -9.510 -6.835 5.688 1.00 0.00 C ATOM 1565 OG SER A 102 -9.197 -5.448 5.770 1.00 0.00 O ATOM 0 H SER A 102 -8.671 -9.102 5.129 1.00 0.00 H new ATOM 0 HA SER A 102 -7.750 -7.124 6.861 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.342 -7.185 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.568 -6.981 5.905 1.00 0.00 H new ATOM 0 HG SER A 102 -9.863 -4.995 6.329 1.00 0.00 H new ATOM 1571 N THR A 103 -9.509 -6.810 8.748 1.00 0.00 N ATOM 1572 CA THR A 103 -10.200 -6.863 10.025 1.00 0.00 C ATOM 1573 C THR A 103 -11.517 -6.088 9.951 1.00 0.00 C ATOM 1574 O THR A 103 -12.364 -6.211 10.835 1.00 0.00 O ATOM 1575 CB THR A 103 -9.246 -6.339 11.100 1.00 0.00 C ATOM 1576 OG1 THR A 103 -10.097 -5.653 12.015 1.00 0.00 O ATOM 1577 CG2 THR A 103 -8.310 -5.249 10.573 1.00 0.00 C ATOM 0 H THR A 103 -9.107 -5.901 8.518 1.00 0.00 H new ATOM 0 HA THR A 103 -10.475 -7.885 10.284 1.00 0.00 H new ATOM 0 HB THR A 103 -8.654 -7.166 11.494 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.560 -5.282 12.746 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.655 -4.913 11.376 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.708 -5.649 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.900 -4.407 10.209 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.648 -5.306 8.890 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.848 -4.511 8.689 1.00 0.00 C ATOM 1587 C ARG A 104 -13.023 -4.179 7.206 1.00 0.00 C ATOM 1588 O ARG A 104 -12.070 -4.258 6.432 1.00 0.00 O ATOM 1589 CB ARG A 104 -12.788 -3.211 9.493 1.00 0.00 C ATOM 1590 CG ARG A 104 -11.804 -2.223 8.863 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.358 -2.626 9.158 1.00 0.00 C ATOM 1592 NE ARG A 104 -10.180 -2.846 10.611 1.00 0.00 N ATOM 1593 CZ ARG A 104 -9.889 -1.875 11.488 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -9.741 -0.612 11.065 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -9.746 -2.167 12.788 1.00 0.00 N ATOM 0 H ARG A 104 -10.943 -5.206 8.160 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.698 -5.100 9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -13.780 -2.762 9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.487 -3.427 10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.962 -2.184 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.992 -1.221 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.106 -3.534 8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.677 -1.847 8.814 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.285 -3.796 10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.850 -0.389 10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.520 0.127 11.733 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.859 -3.128 13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.525 -1.428 13.455 1.00 0.00 H new ATOM 1609 N THR A 105 -14.247 -3.814 6.854 1.00 0.00 N ATOM 1610 CA THR A 105 -14.559 -3.469 5.478 1.00 0.00 C ATOM 1611 C THR A 105 -14.580 -1.950 5.300 1.00 0.00 C ATOM 1612 O THR A 105 -15.443 -1.269 5.852 1.00 0.00 O ATOM 1613 CB THR A 105 -15.883 -4.142 5.110 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.624 -5.533 5.280 1.00 0.00 O ATOM 1615 CG2 THR A 105 -16.217 -4.005 3.623 1.00 0.00 C ATOM 0 H THR A 105 -15.035 -3.750 7.499 1.00 0.00 H new ATOM 0 HA THR A 105 -13.791 -3.834 4.796 1.00 0.00 H new ATOM 0 HB THR A 105 -16.687 -3.708 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 105 -16.431 -6.045 5.064 1.00 0.00 H new ATOM 0 HG21 THR A 105 -17.166 -4.500 3.416 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.294 -2.949 3.363 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.429 -4.468 3.029 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.619 -1.463 4.528 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.517 -0.037 4.271 1.00 0.00 C ATOM 1625 C VAL A 106 -13.945 0.249 2.830 1.00 0.00 C ATOM 1626 O VAL A 106 -13.813 -0.608 1.958 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.100 0.450 4.582 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -11.869 1.857 4.025 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -11.822 0.403 6.085 1.00 0.00 C ATOM 0 H VAL A 106 -12.905 -2.031 4.072 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.189 0.519 4.926 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.399 -0.224 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.855 2.179 4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.006 1.847 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.582 2.548 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.808 0.754 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.534 1.043 6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.925 -0.622 6.442 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.449 1.458 2.625 1.00 0.00 N ATOM 1640 CA LYS A 107 -14.897 1.867 1.305 1.00 0.00 C ATOM 1641 C LYS A 107 -14.647 3.367 1.129 1.00 0.00 C ATOM 1642 O LYS A 107 -14.674 4.122 2.100 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.353 1.456 1.082 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.800 1.774 -0.346 1.00 0.00 C ATOM 1645 CD LYS A 107 -17.695 3.015 -0.377 1.00 0.00 C ATOM 1646 CE LYS A 107 -19.167 2.626 -0.536 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.870 3.600 -1.400 1.00 0.00 N ATOM 0 H LYS A 107 -14.557 2.167 3.351 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.324 1.355 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.467 0.389 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -16.995 1.977 1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.926 1.936 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -17.339 0.922 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -17.563 3.586 0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -17.395 3.663 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.241 1.628 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -19.646 2.586 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.551 3.099 -2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.375 4.289 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.178 4.098 -1.996 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.411 3.753 -0.116 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.158 5.148 -0.431 1.00 0.00 C ATOM 1663 C ALA A 108 -15.480 5.839 -0.768 1.00 0.00 C ATOM 1664 O ALA A 108 -16.095 5.545 -1.792 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.145 5.238 -1.575 1.00 0.00 C ATOM 0 H ALA A 108 -14.390 3.124 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.727 5.663 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -12.955 6.285 -1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.213 4.759 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.544 4.734 -2.455 1.00 0.00 H new ATOM 1671 N LEU A 109 -15.880 6.744 0.113 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.119 7.479 -0.078 1.00 0.00 C ATOM 1673 C LEU A 109 -16.815 8.810 -0.770 1.00 0.00 C ATOM 1674 O LEU A 109 -17.665 9.357 -1.471 1.00 0.00 O ATOM 1675 CB LEU A 109 -17.861 7.632 1.251 1.00 0.00 C ATOM 1676 CG LEU A 109 -17.746 6.456 2.223 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.648 6.706 3.258 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.095 6.153 2.879 1.00 0.00 C ATOM 0 H LEU A 109 -15.368 6.985 0.961 1.00 0.00 H new ATOM 0 HA LEU A 109 -17.794 6.926 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.491 8.528 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -18.917 7.799 1.038 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.458 5.571 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.587 5.855 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.692 6.834 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.881 7.607 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -18.985 5.313 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.437 7.029 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -19.825 5.900 2.110 1.00 0.00 H new ATOM 1690 N THR A 110 -15.602 9.293 -0.547 1.00 0.00 N ATOM 1691 CA THR A 110 -15.176 10.549 -1.140 1.00 0.00 C ATOM 1692 C THR A 110 -13.785 10.402 -1.760 1.00 0.00 C ATOM 1693 O THR A 110 -13.070 9.445 -1.468 1.00 0.00 O ATOM 1694 CB THR A 110 -15.249 11.631 -0.060 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.517 12.722 -0.612 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.465 11.254 1.199 1.00 0.00 C ATOM 0 H THR A 110 -14.900 8.837 0.036 1.00 0.00 H new ATOM 0 HA THR A 110 -15.833 10.842 -1.959 1.00 0.00 H new ATOM 0 HB THR A 110 -16.291 11.813 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 110 -14.515 13.469 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.549 12.055 1.933 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.871 10.333 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.416 11.105 0.943 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.443 11.365 -2.603 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.150 11.355 -3.266 1.00 0.00 C ATOM 1706 C GLU A 111 -11.041 11.030 -2.263 1.00 0.00 C ATOM 1707 O GLU A 111 -10.849 11.755 -1.288 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.882 12.689 -3.966 1.00 0.00 C ATOM 1709 CG GLU A 111 -11.093 12.480 -5.260 1.00 0.00 C ATOM 1710 CD GLU A 111 -11.179 13.715 -6.160 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -10.436 14.678 -5.874 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -11.986 13.667 -7.113 1.00 0.00 O ATOM 0 H GLU A 111 -14.039 12.158 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.162 10.577 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.828 13.184 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.326 13.348 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.050 12.269 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.482 11.611 -5.791 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.341 9.938 -2.536 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.257 9.508 -1.670 1.00 0.00 C ATOM 1721 C VAL A 112 -7.927 9.660 -2.411 1.00 0.00 C ATOM 1722 O VAL A 112 -7.889 9.625 -3.640 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.511 8.080 -1.184 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -8.708 7.781 0.084 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -11.004 7.835 -0.957 1.00 0.00 C ATOM 0 H VAL A 112 -10.504 9.338 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.207 10.136 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.174 7.397 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.907 6.760 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.644 7.895 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.000 8.475 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.157 6.812 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.377 8.531 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.544 7.987 -1.892 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.868 9.825 -1.632 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.539 9.983 -2.199 1.00 0.00 C ATOM 1737 C GLU A 113 -4.508 9.235 -1.351 1.00 0.00 C ATOM 1738 O GLU A 113 -4.165 9.675 -0.255 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.171 11.462 -2.332 1.00 0.00 C ATOM 1740 CG GLU A 113 -5.520 11.991 -3.725 1.00 0.00 C ATOM 1741 CD GLU A 113 -4.272 12.084 -4.605 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -3.813 11.011 -5.053 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -3.805 13.225 -4.808 1.00 0.00 O ATOM 0 H GLU A 113 -6.903 9.853 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.539 9.552 -3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.701 12.042 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.105 11.593 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.252 11.334 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.983 12.974 -3.639 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.044 8.118 -1.890 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.059 7.305 -1.196 1.00 0.00 C ATOM 1752 C ALA A 114 -2.357 6.392 -2.204 1.00 0.00 C ATOM 1753 O ALA A 114 -2.720 6.362 -3.378 1.00 0.00 O ATOM 1754 CB ALA A 114 -3.743 6.519 -0.076 1.00 0.00 C ATOM 0 H ALA A 114 -4.331 7.756 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.298 7.934 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.004 5.909 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.201 7.213 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.511 5.873 -0.501 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.363 5.670 -1.707 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.607 4.759 -2.549 1.00 0.00 C ATOM 1762 C PHE A 115 -0.885 3.303 -2.169 1.00 0.00 C ATOM 1763 O PHE A 115 -1.456 3.031 -1.114 1.00 0.00 O ATOM 1764 CB PHE A 115 0.875 5.060 -2.315 1.00 0.00 C ATOM 1765 CG PHE A 115 1.313 6.443 -2.801 1.00 0.00 C ATOM 1766 CD1 PHE A 115 1.684 6.622 -4.097 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.331 7.493 -1.938 1.00 0.00 C ATOM 1768 CE1 PHE A 115 2.091 7.905 -4.548 1.00 0.00 C ATOM 1769 CE2 PHE A 115 1.737 8.777 -2.389 1.00 0.00 C ATOM 1770 CZ PHE A 115 2.109 8.956 -3.685 1.00 0.00 C ATOM 0 H PHE A 115 -1.064 5.698 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.890 4.895 -3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.088 4.976 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.473 4.302 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.669 5.788 -4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.036 7.351 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.387 8.047 -5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.750 9.611 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.418 9.932 -4.029 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.469 2.405 -3.050 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.666 0.984 -2.821 1.00 0.00 C ATOM 1782 C ALA A 116 0.665 0.348 -2.414 1.00 0.00 C ATOM 1783 O ALA A 116 1.728 0.917 -2.656 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.259 0.342 -4.076 1.00 0.00 C ATOM 0 H ALA A 116 0.004 2.634 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.372 0.821 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.407 -0.724 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.217 0.809 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.577 0.483 -4.914 1.00 0.00 H new ATOM 1790 N LEU A 117 0.562 -0.823 -1.803 1.00 0.00 N ATOM 1791 CA LEU A 117 1.744 -1.542 -1.360 1.00 0.00 C ATOM 1792 C LEU A 117 1.500 -3.047 -1.493 1.00 0.00 C ATOM 1793 O LEU A 117 0.553 -3.579 -0.915 1.00 0.00 O ATOM 1794 CB LEU A 117 2.140 -1.106 0.052 1.00 0.00 C ATOM 1795 CG LEU A 117 3.626 -1.217 0.397 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.236 -2.484 -0.206 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.384 0.043 -0.030 1.00 0.00 C ATOM 0 H LEU A 117 -0.322 -1.292 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 117 2.597 -1.299 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.832 -0.070 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.576 -1.705 0.767 1.00 0.00 H new ATOM 0 HG LEU A 117 3.720 -1.298 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.293 -2.538 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.720 -3.359 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.130 -2.458 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.438 -0.062 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.285 0.180 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.970 0.909 0.486 1.00 0.00 H new ATOM 1809 N ILE A 118 2.370 -3.691 -2.257 1.00 0.00 N ATOM 1810 CA ILE A 118 2.261 -5.123 -2.472 1.00 0.00 C ATOM 1811 C ILE A 118 2.951 -5.862 -1.324 1.00 0.00 C ATOM 1812 O ILE A 118 3.977 -5.409 -0.817 1.00 0.00 O ATOM 1813 CB ILE A 118 2.797 -5.499 -3.855 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.869 -7.019 -4.021 1.00 0.00 C ATOM 1815 CG2 ILE A 118 4.146 -4.829 -4.121 1.00 0.00 C ATOM 1816 CD1 ILE A 118 3.115 -7.400 -5.482 1.00 0.00 C ATOM 0 H ILE A 118 3.154 -3.247 -2.735 1.00 0.00 H new ATOM 0 HA ILE A 118 1.215 -5.430 -2.466 1.00 0.00 H new ATOM 0 HB ILE A 118 2.099 -5.126 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.669 -7.419 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.939 -7.471 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.504 -5.113 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 118 4.030 -3.746 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.866 -5.150 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.162 -8.485 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.301 -7.019 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.058 -6.967 -5.817 1.00 0.00 H new ATOM 1828 N ALA A 119 2.361 -6.986 -0.946 1.00 0.00 N ATOM 1829 CA ALA A 119 2.906 -7.792 0.134 1.00 0.00 C ATOM 1830 C ALA A 119 4.259 -8.362 -0.295 1.00 0.00 C ATOM 1831 O ALA A 119 5.243 -8.253 0.436 1.00 0.00 O ATOM 1832 CB ALA A 119 1.905 -8.885 0.511 1.00 0.00 C ATOM 0 H ALA A 119 1.510 -7.358 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 119 3.072 -7.183 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.314 -9.489 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.971 -8.427 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.716 -9.519 -0.355 1.00 0.00 H new ATOM 1838 N ASP A 120 4.266 -8.958 -1.478 1.00 0.00 N ATOM 1839 CA ASP A 120 5.483 -9.546 -2.013 1.00 0.00 C ATOM 1840 C ASP A 120 6.663 -8.618 -1.722 1.00 0.00 C ATOM 1841 O ASP A 120 7.556 -8.965 -0.951 1.00 0.00 O ATOM 1842 CB ASP A 120 5.386 -9.729 -3.529 1.00 0.00 C ATOM 1843 CG ASP A 120 5.432 -11.180 -4.010 1.00 0.00 C ATOM 1844 OD1 ASP A 120 5.800 -12.041 -3.182 1.00 0.00 O ATOM 1845 OD2 ASP A 120 5.097 -11.396 -5.195 1.00 0.00 O ATOM 0 H ASP A 120 3.448 -9.047 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 120 5.624 -10.519 -1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.457 -9.277 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.202 -9.180 -3.999 1.00 0.00 H new ATOM 1850 N GLU A 121 6.630 -7.454 -2.356 1.00 0.00 N ATOM 1851 CA GLU A 121 7.686 -6.473 -2.175 1.00 0.00 C ATOM 1852 C GLU A 121 7.914 -6.207 -0.686 1.00 0.00 C ATOM 1853 O GLU A 121 9.050 -6.032 -0.250 1.00 0.00 O ATOM 1854 CB GLU A 121 7.363 -5.177 -2.921 1.00 0.00 C ATOM 1855 CG GLU A 121 7.222 -5.429 -4.423 1.00 0.00 C ATOM 1856 CD GLU A 121 8.590 -5.442 -5.108 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.406 -6.311 -4.730 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.790 -4.584 -5.994 1.00 0.00 O ATOM 0 H GLU A 121 5.888 -7.169 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 121 8.607 -6.876 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.439 -4.750 -2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.151 -4.445 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.719 -6.381 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.596 -4.656 -4.868 1.00 0.00 H new ATOM 1865 N LEU A 122 6.814 -6.184 0.053 1.00 0.00 N ATOM 1866 CA LEU A 122 6.880 -5.941 1.485 1.00 0.00 C ATOM 1867 C LEU A 122 7.706 -7.046 2.147 1.00 0.00 C ATOM 1868 O LEU A 122 8.815 -6.800 2.617 1.00 0.00 O ATOM 1869 CB LEU A 122 5.473 -5.791 2.068 1.00 0.00 C ATOM 1870 CG LEU A 122 5.319 -4.763 3.190 1.00 0.00 C ATOM 1871 CD1 LEU A 122 3.843 -4.529 3.520 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.125 -5.173 4.424 1.00 0.00 C ATOM 0 H LEU A 122 5.873 -6.329 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 122 7.387 -4.998 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.793 -5.522 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.152 -6.762 2.445 1.00 0.00 H new ATOM 0 HG LEU A 122 5.725 -3.813 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.761 -3.794 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.326 -4.160 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.389 -5.467 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.998 -4.425 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.772 -6.139 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.180 -5.247 4.161 1.00 0.00 H new ATOM 1884 N LYS A 123 7.132 -8.240 2.164 1.00 0.00 N ATOM 1885 CA LYS A 123 7.801 -9.383 2.761 1.00 0.00 C ATOM 1886 C LYS A 123 9.260 -9.412 2.302 1.00 0.00 C ATOM 1887 O LYS A 123 10.168 -9.566 3.118 1.00 0.00 O ATOM 1888 CB LYS A 123 7.035 -10.672 2.456 1.00 0.00 C ATOM 1889 CG LYS A 123 7.304 -11.736 3.522 1.00 0.00 C ATOM 1890 CD LYS A 123 6.006 -12.423 3.950 1.00 0.00 C ATOM 1891 CE LYS A 123 5.931 -13.847 3.395 1.00 0.00 C ATOM 1892 NZ LYS A 123 6.893 -14.728 4.094 1.00 0.00 N ATOM 0 H LYS A 123 6.211 -8.441 1.774 1.00 0.00 H new ATOM 0 HA LYS A 123 7.810 -9.294 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.967 -10.462 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.329 -11.051 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.001 -12.478 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.779 -11.276 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 123 5.946 -12.449 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.151 -11.846 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.920 -14.237 3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.147 -13.839 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.631 -15.722 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.850 -14.560 3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.875 -14.522 5.113 1.00 0.00 H new ATOM 1906 N PHE A 124 9.440 -9.261 0.998 1.00 0.00 N ATOM 1907 CA PHE A 124 10.774 -9.268 0.421 1.00 0.00 C ATOM 1908 C PHE A 124 11.694 -8.291 1.156 1.00 0.00 C ATOM 1909 O PHE A 124 12.646 -8.705 1.816 1.00 0.00 O ATOM 1910 CB PHE A 124 10.633 -8.820 -1.035 1.00 0.00 C ATOM 1911 CG PHE A 124 11.968 -8.606 -1.752 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.581 -7.393 -1.701 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.542 -9.629 -2.440 1.00 0.00 C ATOM 1914 CE1 PHE A 124 13.819 -7.194 -2.366 1.00 0.00 C ATOM 1915 CE2 PHE A 124 13.781 -9.430 -3.105 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.393 -8.217 -3.054 1.00 0.00 C ATOM 0 H PHE A 124 8.685 -9.133 0.325 1.00 0.00 H new ATOM 0 HA PHE A 124 11.209 -10.264 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.055 -9.567 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.063 -7.891 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.125 -6.581 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.056 -10.593 -2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.305 -6.230 -2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.237 -10.242 -3.651 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.335 -8.066 -3.560 1.00 0.00 H new ATOM 1926 N VAL A 125 11.378 -7.011 1.017 1.00 0.00 N ATOM 1927 CA VAL A 125 12.164 -5.972 1.660 1.00 0.00 C ATOM 1928 C VAL A 125 12.194 -6.220 3.169 1.00 0.00 C ATOM 1929 O VAL A 125 13.201 -5.957 3.825 1.00 0.00 O ATOM 1930 CB VAL A 125 11.611 -4.594 1.291 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.605 -4.110 2.337 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.742 -3.580 1.108 1.00 0.00 C ATOM 0 H VAL A 125 10.588 -6.670 0.468 1.00 0.00 H new ATOM 0 HA VAL A 125 13.195 -5.999 1.306 1.00 0.00 H new ATOM 0 HB VAL A 125 11.087 -4.687 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.227 -3.128 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.776 -4.815 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 125 11.095 -4.042 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.321 -2.609 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 125 13.306 -3.493 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.405 -3.915 0.311 1.00 0.00 H new ATOM 1942 N ALA A 126 11.078 -6.724 3.676 1.00 0.00 N ATOM 1943 CA ALA A 126 10.964 -7.011 5.095 1.00 0.00 C ATOM 1944 C ALA A 126 12.020 -8.046 5.489 1.00 0.00 C ATOM 1945 O ALA A 126 12.901 -7.761 6.299 1.00 0.00 O ATOM 1946 CB ALA A 126 9.542 -7.482 5.408 1.00 0.00 C ATOM 0 H ALA A 126 10.245 -6.941 3.129 1.00 0.00 H new ATOM 0 HA ALA A 126 11.148 -6.112 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.456 -7.697 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.832 -6.700 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.323 -8.384 4.837 1.00 0.00 H new ATOM 1952 N SER A 127 11.896 -9.225 4.898 1.00 0.00 N ATOM 1953 CA SER A 127 12.829 -10.303 5.177 1.00 0.00 C ATOM 1954 C SER A 127 14.249 -9.878 4.798 1.00 0.00 C ATOM 1955 O SER A 127 15.180 -10.035 5.587 1.00 0.00 O ATOM 1956 CB SER A 127 12.439 -11.578 4.425 1.00 0.00 C ATOM 1957 OG SER A 127 12.365 -12.707 5.291 1.00 0.00 O ATOM 0 H SER A 127 11.164 -9.457 4.227 1.00 0.00 H new ATOM 0 HA SER A 127 12.793 -10.517 6.245 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.475 -11.431 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.168 -11.772 3.638 1.00 0.00 H new ATOM 0 HG SER A 127 12.112 -13.500 4.774 1.00 0.00 H new