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= 0.109 USER MOD Set 1.2: A 38 SER OG : rot -150:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.237 K(o=-0.24,f=-0.75) USER MOD Single : A 17 MET CE :methyl -118:sc= -0.19 (180deg=-4.68!) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.23 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -16:sc= -0.601! 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= -0.398 K(o=-0.4,f=-4.5!) USER MOD Single : A 50 MET CE :methyl -154:sc= -2.19 (180deg=-3!) USER MOD Single : A 60 SER OG : rot -140:sc= -0.265 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00429) USER MOD Single : A 82 CYS SG : rot 180:sc= -0.447 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 120:sc= 0.196 USER MOD Single : A 103 THR OG1 : rot 13:sc= 0.724 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 107 LYS NZ :NH3+ -112:sc= -2.22 (180deg=-5.39!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.048 -0.342 13.592 1.00 0.00 N ATOM 161 CA LEU A 13 3.572 -0.942 12.376 1.00 0.00 C ATOM 162 C LEU A 13 5.066 -0.633 12.263 1.00 0.00 C ATOM 163 O LEU A 13 5.894 -1.542 12.281 1.00 0.00 O ATOM 164 CB LEU A 13 2.757 -0.491 11.162 1.00 0.00 C ATOM 165 CG LEU A 13 1.243 -0.690 11.258 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.514 0.112 10.178 1.00 0.00 C ATOM 167 CD2 LEU A 13 0.882 -2.176 11.211 1.00 0.00 C ATOM 0 HA LEU A 13 3.472 -2.027 12.413 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.954 0.567 10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.119 -1.029 10.286 1.00 0.00 H new ATOM 0 HG LEU A 13 0.909 -0.307 12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.560 -0.048 10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.735 1.172 10.301 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.847 -0.217 9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.200 -2.290 11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.232 -2.606 10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.356 -2.692 12.046 1.00 0.00 H new ATOM 179 N PHE A 14 5.365 0.653 12.149 1.00 0.00 N ATOM 180 CA PHE A 14 6.744 1.093 12.034 1.00 0.00 C ATOM 181 C PHE A 14 7.421 1.143 13.405 1.00 0.00 C ATOM 182 O PHE A 14 7.922 2.188 13.817 1.00 0.00 O ATOM 183 CB PHE A 14 6.716 2.503 11.441 1.00 0.00 C ATOM 184 CG PHE A 14 5.857 2.632 10.181 1.00 0.00 C ATOM 185 CD1 PHE A 14 5.937 1.689 9.205 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.013 3.689 10.039 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.139 1.808 8.036 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.215 3.808 8.870 1.00 0.00 C ATOM 189 CZ PHE A 14 4.296 2.865 7.893 1.00 0.00 C ATOM 0 H PHE A 14 4.675 1.404 12.134 1.00 0.00 H new ATOM 0 HA PHE A 14 7.304 0.399 11.408 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.343 3.196 12.195 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.736 2.807 11.206 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.607 0.850 9.318 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.950 4.438 10.815 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.202 1.059 7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.544 4.647 8.757 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.690 2.956 7.003 1.00 0.00 H new ATOM 199 N GLU A 15 7.414 -0.001 14.074 1.00 0.00 N ATOM 200 CA GLU A 15 8.021 -0.101 15.391 1.00 0.00 C ATOM 201 C GLU A 15 9.510 -0.427 15.265 1.00 0.00 C ATOM 202 O GLU A 15 10.352 0.271 15.828 1.00 0.00 O ATOM 203 CB GLU A 15 7.301 -1.144 16.248 1.00 0.00 C ATOM 204 CG GLU A 15 6.226 -0.490 17.119 1.00 0.00 C ATOM 205 CD GLU A 15 6.539 -0.672 18.606 1.00 0.00 C ATOM 206 OE1 GLU A 15 6.117 -1.715 19.151 1.00 0.00 O ATOM 207 OE2 GLU A 15 7.192 0.236 19.163 1.00 0.00 O ATOM 0 H GLU A 15 6.998 -0.866 13.729 1.00 0.00 H new ATOM 0 HA GLU A 15 7.921 0.863 15.891 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.845 -1.896 15.605 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.022 -1.661 16.881 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.160 0.573 16.885 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.254 -0.927 16.892 1.00 0.00 H new ATOM 214 N ASN A 16 9.790 -1.489 14.524 1.00 0.00 N ATOM 215 CA ASN A 16 11.164 -1.916 14.317 1.00 0.00 C ATOM 216 C ASN A 16 11.598 -1.552 12.896 1.00 0.00 C ATOM 217 O ASN A 16 12.611 -2.051 12.406 1.00 0.00 O ATOM 218 CB ASN A 16 11.299 -3.431 14.480 1.00 0.00 C ATOM 219 CG ASN A 16 10.102 -4.158 13.864 1.00 0.00 C ATOM 220 OD1 ASN A 16 9.047 -4.289 14.463 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.323 -4.623 12.638 1.00 0.00 N ATOM 0 H ASN A 16 9.089 -2.067 14.060 1.00 0.00 H new ATOM 0 HA ASN A 16 11.788 -1.416 15.058 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.219 -3.771 14.005 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.376 -3.681 15.538 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.586 -5.124 12.142 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.230 -4.479 12.194 1.00 0.00 H new ATOM 228 N MET A 17 10.811 -0.687 12.274 1.00 0.00 N ATOM 229 CA MET A 17 11.102 -0.251 10.919 1.00 0.00 C ATOM 230 C MET A 17 12.459 0.453 10.849 1.00 0.00 C ATOM 231 O MET A 17 12.822 1.201 11.756 1.00 0.00 O ATOM 232 CB MET A 17 10.006 0.705 10.444 1.00 0.00 C ATOM 233 CG MET A 17 9.380 0.215 9.136 1.00 0.00 C ATOM 234 SD MET A 17 8.758 -1.445 9.342 1.00 0.00 S ATOM 235 CE MET A 17 7.542 -1.485 8.035 1.00 0.00 C ATOM 0 H MET A 17 9.972 -0.276 12.683 1.00 0.00 H new ATOM 0 HA MET A 17 11.135 -1.129 10.274 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.236 0.790 11.210 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.425 1.701 10.300 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.570 0.881 8.839 1.00 0.00 H new ATOM 0 HG3 MET A 17 10.121 0.238 8.337 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.552 -1.639 8.464 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.559 -0.540 7.493 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.772 -2.301 7.349 1.00 0.00 H new ATOM 245 N ASP A 18 13.171 0.190 9.763 1.00 0.00 N ATOM 246 CA ASP A 18 14.480 0.789 9.563 1.00 0.00 C ATOM 247 C ASP A 18 14.397 1.817 8.433 1.00 0.00 C ATOM 248 O ASP A 18 13.698 1.603 7.444 1.00 0.00 O ATOM 249 CB ASP A 18 15.514 -0.267 9.167 1.00 0.00 C ATOM 250 CG ASP A 18 16.937 0.262 8.975 1.00 0.00 C ATOM 251 OD1 ASP A 18 17.497 0.759 9.976 1.00 0.00 O ATOM 252 OD2 ASP A 18 17.432 0.156 7.833 1.00 0.00 O ATOM 0 H ASP A 18 12.866 -0.430 9.012 1.00 0.00 H new ATOM 0 HA ASP A 18 14.784 1.258 10.499 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.531 -1.042 9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.191 -0.741 8.240 1.00 0.00 H new ATOM 257 N GLU A 19 15.121 2.911 8.619 1.00 0.00 N ATOM 258 CA GLU A 19 15.138 3.974 7.627 1.00 0.00 C ATOM 259 C GLU A 19 15.166 3.383 6.216 1.00 0.00 C ATOM 260 O GLU A 19 14.248 3.605 5.429 1.00 0.00 O ATOM 261 CB GLU A 19 16.325 4.913 7.852 1.00 0.00 C ATOM 262 CG GLU A 19 16.142 5.732 9.131 1.00 0.00 C ATOM 263 CD GLU A 19 17.386 5.648 10.018 1.00 0.00 C ATOM 264 OE1 GLU A 19 17.861 4.511 10.224 1.00 0.00 O ATOM 265 OE2 GLU A 19 17.834 6.724 10.470 1.00 0.00 O ATOM 0 H GLU A 19 15.700 3.085 9.441 1.00 0.00 H new ATOM 0 HA GLU A 19 14.226 4.561 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.245 4.332 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.430 5.583 6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.943 6.773 8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.274 5.367 9.680 1.00 0.00 H new ATOM 272 N ARG A 20 16.229 2.642 5.941 1.00 0.00 N ATOM 273 CA ARG A 20 16.388 2.017 4.638 1.00 0.00 C ATOM 274 C ARG A 20 15.108 1.277 4.245 1.00 0.00 C ATOM 275 O ARG A 20 14.752 1.228 3.068 1.00 0.00 O ATOM 276 CB ARG A 20 17.559 1.032 4.639 1.00 0.00 C ATOM 277 CG ARG A 20 18.878 1.748 4.937 1.00 0.00 C ATOM 278 CD ARG A 20 19.588 2.151 3.643 1.00 0.00 C ATOM 279 NE ARG A 20 20.939 1.548 3.598 1.00 0.00 N ATOM 280 CZ ARG A 20 21.679 1.445 2.486 1.00 0.00 C ATOM 281 NH1 ARG A 20 21.204 1.904 1.320 1.00 0.00 N ATOM 282 NH2 ARG A 20 22.894 0.883 2.540 1.00 0.00 N ATOM 0 H ARG A 20 16.988 2.460 6.597 1.00 0.00 H new ATOM 0 HA ARG A 20 16.592 2.806 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.386 0.256 5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.622 0.535 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.686 2.634 5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.525 1.096 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.006 1.823 2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.663 3.237 3.583 1.00 0.00 H new ATOM 0 HE ARG A 20 21.331 1.188 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.279 2.332 1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.768 1.826 0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.255 0.534 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.458 0.804 1.694 1.00 0.00 H new ATOM 296 N LEU A 21 14.452 0.719 5.251 1.00 0.00 N ATOM 297 CA LEU A 21 13.220 -0.017 5.025 1.00 0.00 C ATOM 298 C LEU A 21 12.094 0.969 4.704 1.00 0.00 C ATOM 299 O LEU A 21 11.238 0.688 3.867 1.00 0.00 O ATOM 300 CB LEU A 21 12.916 -0.932 6.213 1.00 0.00 C ATOM 301 CG LEU A 21 11.816 -1.972 5.994 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.379 -3.237 5.343 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.083 -2.279 7.302 1.00 0.00 C ATOM 0 H LEU A 21 14.750 0.762 6.225 1.00 0.00 H new ATOM 0 HA LEU A 21 13.323 -0.676 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.833 -1.454 6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.636 -0.310 7.063 1.00 0.00 H new ATOM 0 HG LEU A 21 11.083 -1.553 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.576 -3.960 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.818 -2.985 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.144 -3.669 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.306 -3.021 7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.791 -2.669 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.629 -1.366 7.687 1.00 0.00 H new ATOM 315 N LEU A 22 12.132 2.104 5.387 1.00 0.00 N ATOM 316 CA LEU A 22 11.126 3.132 5.185 1.00 0.00 C ATOM 317 C LEU A 22 11.105 3.536 3.709 1.00 0.00 C ATOM 318 O LEU A 22 10.062 3.471 3.059 1.00 0.00 O ATOM 319 CB LEU A 22 11.360 4.305 6.139 1.00 0.00 C ATOM 320 CG LEU A 22 10.619 4.239 7.477 1.00 0.00 C ATOM 321 CD1 LEU A 22 9.109 4.377 7.275 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.980 2.963 8.241 1.00 0.00 C ATOM 0 H LEU A 22 12.844 2.334 6.081 1.00 0.00 H new ATOM 0 HA LEU A 22 10.135 2.747 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.429 4.376 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.070 5.225 5.631 1.00 0.00 H new ATOM 0 HG LEU A 22 10.941 5.083 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.607 4.327 8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.891 5.335 6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.752 3.568 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.440 2.941 9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.705 2.092 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.053 2.946 8.434 1.00 0.00 H new ATOM 334 N ASP A 23 12.268 3.943 3.223 1.00 0.00 N ATOM 335 CA ASP A 23 12.396 4.357 1.836 1.00 0.00 C ATOM 336 C ASP A 23 12.004 3.194 0.923 1.00 0.00 C ATOM 337 O ASP A 23 11.197 3.361 0.010 1.00 0.00 O ATOM 338 CB ASP A 23 13.838 4.750 1.509 1.00 0.00 C ATOM 339 CG ASP A 23 13.985 5.867 0.474 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.674 5.593 -0.705 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.405 6.970 0.885 1.00 0.00 O ATOM 0 H ASP A 23 13.131 3.995 3.765 1.00 0.00 H new ATOM 0 HA ASP A 23 11.744 5.216 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.332 5.061 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.366 3.868 1.147 1.00 0.00 H new ATOM 346 N ALA A 24 12.595 2.041 1.200 1.00 0.00 N ATOM 347 CA ALA A 24 12.318 0.850 0.415 1.00 0.00 C ATOM 348 C ALA A 24 10.806 0.698 0.244 1.00 0.00 C ATOM 349 O ALA A 24 10.301 0.707 -0.878 1.00 0.00 O ATOM 350 CB ALA A 24 12.954 -0.367 1.091 1.00 0.00 C ATOM 0 H ALA A 24 13.265 1.906 1.957 1.00 0.00 H new ATOM 0 HA ALA A 24 12.755 0.936 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.746 -1.260 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.032 -0.222 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.537 -0.487 2.091 1.00 0.00 H new ATOM 356 N ILE A 25 10.125 0.561 1.372 1.00 0.00 N ATOM 357 CA ILE A 25 8.680 0.407 1.361 1.00 0.00 C ATOM 358 C ILE A 25 8.051 1.594 0.630 1.00 0.00 C ATOM 359 O ILE A 25 6.994 1.460 0.015 1.00 0.00 O ATOM 360 CB ILE A 25 8.152 0.210 2.783 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.642 -1.114 3.372 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.626 0.324 2.822 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.477 -1.132 4.893 1.00 0.00 C ATOM 0 H ILE A 25 10.547 0.553 2.300 1.00 0.00 H new ATOM 0 HA ILE A 25 8.396 -0.492 0.813 1.00 0.00 H new ATOM 0 HB ILE A 25 8.551 1.008 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.084 -1.940 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.690 -1.265 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.276 0.180 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.326 1.312 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.188 -0.438 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.833 -2.084 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.056 -0.319 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.424 -1.005 5.146 1.00 0.00 H new ATOM 375 N CYS A 26 8.727 2.730 0.721 1.00 0.00 N ATOM 376 CA CYS A 26 8.247 3.941 0.076 1.00 0.00 C ATOM 377 C CYS A 26 8.356 3.753 -1.438 1.00 0.00 C ATOM 378 O CYS A 26 7.408 4.031 -2.172 1.00 0.00 O ATOM 379 CB CYS A 26 9.010 5.177 0.555 1.00 0.00 C ATOM 380 SG CYS A 26 8.049 6.689 0.180 1.00 0.00 S ATOM 0 H CYS A 26 9.603 2.838 1.232 1.00 0.00 H new ATOM 0 HA CYS A 26 7.205 4.112 0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.193 5.109 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.984 5.225 0.068 1.00 0.00 H new ATOM 0 HG CYS A 26 8.704 7.733 0.592 1.00 0.00 H new ATOM 386 N GLU A 27 9.521 3.284 -1.862 1.00 0.00 N ATOM 387 CA GLU A 27 9.766 3.056 -3.276 1.00 0.00 C ATOM 388 C GLU A 27 8.763 2.043 -3.832 1.00 0.00 C ATOM 389 O GLU A 27 8.560 1.967 -5.043 1.00 0.00 O ATOM 390 CB GLU A 27 11.204 2.593 -3.515 1.00 0.00 C ATOM 391 CG GLU A 27 12.198 3.721 -3.232 1.00 0.00 C ATOM 392 CD GLU A 27 13.601 3.349 -3.717 1.00 0.00 C ATOM 393 OE1 GLU A 27 14.307 2.668 -2.942 1.00 0.00 O ATOM 394 OE2 GLU A 27 13.937 3.756 -4.850 1.00 0.00 O ATOM 0 H GLU A 27 10.305 3.056 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 27 9.630 3.999 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.426 1.739 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.315 2.256 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.868 4.634 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.222 3.930 -2.162 1.00 0.00 H new ATOM 401 N ARG A 28 8.164 1.291 -2.922 1.00 0.00 N ATOM 402 CA ARG A 28 7.187 0.286 -3.306 1.00 0.00 C ATOM 403 C ARG A 28 5.851 0.948 -3.650 1.00 0.00 C ATOM 404 O ARG A 28 5.148 0.501 -4.555 1.00 0.00 O ATOM 405 CB ARG A 28 6.971 -0.730 -2.183 1.00 0.00 C ATOM 406 CG ARG A 28 7.704 -2.040 -2.480 1.00 0.00 C ATOM 407 CD ARG A 28 8.989 -2.149 -1.656 1.00 0.00 C ATOM 408 NE ARG A 28 9.865 -3.198 -2.222 1.00 0.00 N ATOM 409 CZ ARG A 28 10.492 -3.098 -3.402 1.00 0.00 C ATOM 410 NH1 ARG A 28 10.343 -1.995 -4.148 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.268 -4.101 -3.835 1.00 0.00 N ATOM 0 H ARG A 28 8.336 1.357 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 28 7.574 -0.235 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.327 -0.316 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.905 -0.924 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.052 -2.884 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.943 -2.094 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.510 -1.192 -1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.747 -2.385 -0.620 1.00 0.00 H new ATOM 0 HE ARG A 28 10.000 -4.051 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.752 -1.232 -3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.820 -1.919 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.381 -4.940 -3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.745 -4.025 -4.733 1.00 0.00 H new ATOM 425 N LEU A 29 5.542 2.002 -2.909 1.00 0.00 N ATOM 426 CA LEU A 29 4.303 2.730 -3.125 1.00 0.00 C ATOM 427 C LEU A 29 4.130 3.003 -4.620 1.00 0.00 C ATOM 428 O LEU A 29 5.031 3.538 -5.265 1.00 0.00 O ATOM 429 CB LEU A 29 4.266 3.991 -2.260 1.00 0.00 C ATOM 430 CG LEU A 29 4.494 3.785 -0.761 1.00 0.00 C ATOM 431 CD1 LEU A 29 4.955 5.081 -0.093 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.245 3.207 -0.091 1.00 0.00 C ATOM 0 H LEU A 29 6.128 2.369 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 29 3.449 2.131 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.022 4.683 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.298 4.473 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 29 5.294 3.056 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.110 4.906 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.890 5.411 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.195 5.850 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.434 3.070 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.409 3.893 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.002 2.245 -0.543 1.00 0.00 H new ATOM 444 N LYS A 30 2.967 2.623 -5.128 1.00 0.00 N ATOM 445 CA LYS A 30 2.665 2.821 -6.535 1.00 0.00 C ATOM 446 C LYS A 30 1.548 3.858 -6.672 1.00 0.00 C ATOM 447 O LYS A 30 0.768 4.062 -5.743 1.00 0.00 O ATOM 448 CB LYS A 30 2.348 1.484 -7.208 1.00 0.00 C ATOM 449 CG LYS A 30 3.600 0.883 -7.851 1.00 0.00 C ATOM 450 CD LYS A 30 3.357 0.557 -9.326 1.00 0.00 C ATOM 451 CE LYS A 30 4.643 0.710 -10.140 1.00 0.00 C ATOM 452 NZ LYS A 30 4.671 -0.267 -11.252 1.00 0.00 N ATOM 0 H LYS A 30 2.223 2.179 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 30 3.535 3.218 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.944 0.789 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.579 1.628 -7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.431 1.583 -7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.888 -0.023 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.982 -0.462 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.588 1.218 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.711 1.723 -10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.509 0.561 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.550 -0.150 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.627 -1.232 -10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.855 -0.106 -11.876 1.00 0.00 H new ATOM 466 N PRO A 31 1.505 4.503 -7.869 1.00 0.00 N ATOM 467 CA PRO A 31 0.497 5.514 -8.139 1.00 0.00 C ATOM 468 C PRO A 31 -0.867 4.871 -8.397 1.00 0.00 C ATOM 469 O PRO A 31 -1.081 4.258 -9.442 1.00 0.00 O ATOM 470 CB PRO A 31 1.026 6.287 -9.336 1.00 0.00 C ATOM 471 CG PRO A 31 2.075 5.394 -9.978 1.00 0.00 C ATOM 472 CD PRO A 31 2.413 4.287 -8.992 1.00 0.00 C ATOM 0 HA PRO A 31 0.332 6.181 -7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.225 6.515 -10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.459 7.238 -9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.699 4.973 -10.910 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.967 5.970 -10.225 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.267 3.302 -9.436 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.455 4.342 -8.676 1.00 0.00 H new ATOM 480 N CYS A 32 -1.756 5.035 -7.428 1.00 0.00 N ATOM 481 CA CYS A 32 -3.094 4.479 -7.537 1.00 0.00 C ATOM 482 C CYS A 32 -4.052 5.377 -6.752 1.00 0.00 C ATOM 483 O CYS A 32 -3.626 6.136 -5.884 1.00 0.00 O ATOM 484 CB CYS A 32 -3.145 3.029 -7.053 1.00 0.00 C ATOM 485 SG CYS A 32 -1.779 2.070 -7.804 1.00 0.00 S ATOM 0 H CYS A 32 -1.576 5.545 -6.563 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.396 4.454 -8.584 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.068 2.997 -5.966 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.103 2.582 -7.318 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.291 2.728 -8.814 1.00 0.00 H new ATOM 491 N LEU A 33 -5.329 5.260 -7.087 1.00 0.00 N ATOM 492 CA LEU A 33 -6.352 6.051 -6.424 1.00 0.00 C ATOM 493 C LEU A 33 -7.611 5.201 -6.242 1.00 0.00 C ATOM 494 O LEU A 33 -7.833 4.247 -6.987 1.00 0.00 O ATOM 495 CB LEU A 33 -6.596 7.356 -7.184 1.00 0.00 C ATOM 496 CG LEU A 33 -7.479 8.388 -6.480 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.898 9.796 -6.624 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.922 8.308 -6.981 1.00 0.00 C ATOM 0 H LEU A 33 -5.678 4.629 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.020 6.346 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.631 7.816 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.050 7.114 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.495 8.155 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.545 10.510 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.903 9.826 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.832 10.056 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.528 9.052 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.946 8.501 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.321 7.313 -6.783 1.00 0.00 H new ATOM 510 N PHE A 34 -8.402 5.577 -5.248 1.00 0.00 N ATOM 511 CA PHE A 34 -9.633 4.861 -4.959 1.00 0.00 C ATOM 512 C PHE A 34 -10.856 5.696 -5.343 1.00 0.00 C ATOM 513 O PHE A 34 -11.150 6.703 -4.701 1.00 0.00 O ATOM 514 CB PHE A 34 -9.657 4.604 -3.451 1.00 0.00 C ATOM 515 CG PHE A 34 -8.401 3.914 -2.917 1.00 0.00 C ATOM 516 CD1 PHE A 34 -8.128 2.629 -3.269 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.556 4.586 -2.089 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.962 1.989 -2.773 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.390 3.946 -1.592 1.00 0.00 C ATOM 520 CZ PHE A 34 -6.117 2.661 -1.945 1.00 0.00 C ATOM 0 H PHE A 34 -8.214 6.368 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.667 3.933 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.785 5.554 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.526 3.991 -3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.799 2.095 -3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.772 5.607 -1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.746 0.969 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.720 4.479 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.230 2.174 -1.568 1.00 0.00 H new ATOM 530 N THR A 35 -11.536 5.246 -6.387 1.00 0.00 N ATOM 531 CA THR A 35 -12.721 5.939 -6.863 1.00 0.00 C ATOM 532 C THR A 35 -13.952 5.499 -6.069 1.00 0.00 C ATOM 533 O THR A 35 -13.830 4.794 -5.068 1.00 0.00 O ATOM 534 CB THR A 35 -12.845 5.684 -8.367 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.364 4.353 -8.535 1.00 0.00 O ATOM 536 CG2 THR A 35 -11.875 6.537 -9.187 1.00 0.00 C ATOM 0 H THR A 35 -11.289 4.410 -6.917 1.00 0.00 H new ATOM 0 HA THR A 35 -12.640 7.015 -6.706 1.00 0.00 H new ATOM 0 HB THR A 35 -13.867 5.888 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.411 4.105 -9.482 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.004 6.317 -10.247 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.078 7.593 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.851 6.309 -8.891 1.00 0.00 H new ATOM 544 N GLU A 36 -15.110 5.932 -6.545 1.00 0.00 N ATOM 545 CA GLU A 36 -16.362 5.591 -5.892 1.00 0.00 C ATOM 546 C GLU A 36 -16.620 4.086 -5.990 1.00 0.00 C ATOM 547 O GLU A 36 -16.364 3.475 -7.027 1.00 0.00 O ATOM 548 CB GLU A 36 -17.526 6.387 -6.488 1.00 0.00 C ATOM 549 CG GLU A 36 -18.063 5.710 -7.750 1.00 0.00 C ATOM 550 CD GLU A 36 -19.104 6.591 -8.444 1.00 0.00 C ATOM 551 OE1 GLU A 36 -20.161 6.820 -7.818 1.00 0.00 O ATOM 552 OE2 GLU A 36 -18.818 7.016 -9.584 1.00 0.00 O ATOM 0 H GLU A 36 -15.207 6.516 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.284 5.858 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.324 6.477 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.196 7.398 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.240 5.505 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.509 4.750 -7.490 1.00 0.00 H new ATOM 559 N LYS A 37 -17.124 3.532 -4.897 1.00 0.00 N ATOM 560 CA LYS A 37 -17.419 2.110 -4.847 1.00 0.00 C ATOM 561 C LYS A 37 -16.108 1.321 -4.841 1.00 0.00 C ATOM 562 O LYS A 37 -16.007 0.273 -5.477 1.00 0.00 O ATOM 563 CB LYS A 37 -18.366 1.719 -5.983 1.00 0.00 C ATOM 564 CG LYS A 37 -19.676 2.505 -5.900 1.00 0.00 C ATOM 565 CD LYS A 37 -20.818 1.741 -6.574 1.00 0.00 C ATOM 566 CE LYS A 37 -20.670 1.767 -8.097 1.00 0.00 C ATOM 567 NZ LYS A 37 -21.940 1.374 -8.747 1.00 0.00 N ATOM 0 H LYS A 37 -17.336 4.042 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.945 1.863 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.885 1.907 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.575 0.650 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.926 2.693 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.552 3.477 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.827 0.709 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.773 2.182 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.381 2.766 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.873 1.089 -8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.823 1.397 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.199 0.412 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.692 2.037 -8.469 1.00 0.00 H new ATOM 581 N SER A 38 -15.136 1.856 -4.115 1.00 0.00 N ATOM 582 CA SER A 38 -13.836 1.215 -4.018 1.00 0.00 C ATOM 583 C SER A 38 -13.620 0.682 -2.600 1.00 0.00 C ATOM 584 O SER A 38 -13.530 1.456 -1.649 1.00 0.00 O ATOM 585 CB SER A 38 -12.715 2.184 -4.397 1.00 0.00 C ATOM 586 OG SER A 38 -12.619 2.364 -5.807 1.00 0.00 O ATOM 0 H SER A 38 -15.223 2.726 -3.589 1.00 0.00 H new ATOM 0 HA SER A 38 -13.812 0.382 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.892 3.148 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.766 1.808 -4.014 1.00 0.00 H new ATOM 0 HG SER A 38 -11.690 2.560 -6.049 1.00 0.00 H new ATOM 592 N TYR A 39 -13.544 -0.638 -2.503 1.00 0.00 N ATOM 593 CA TYR A 39 -13.341 -1.283 -1.218 1.00 0.00 C ATOM 594 C TYR A 39 -11.872 -1.666 -1.022 1.00 0.00 C ATOM 595 O TYR A 39 -11.392 -2.625 -1.624 1.00 0.00 O ATOM 596 CB TYR A 39 -14.188 -2.557 -1.247 1.00 0.00 C ATOM 597 CG TYR A 39 -15.550 -2.414 -0.566 1.00 0.00 C ATOM 598 CD1 TYR A 39 -16.606 -1.842 -1.247 1.00 0.00 C ATOM 599 CD2 TYR A 39 -15.724 -2.857 0.730 1.00 0.00 C ATOM 600 CE1 TYR A 39 -17.888 -1.707 -0.606 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.007 -2.723 1.371 1.00 0.00 C ATOM 602 CZ TYR A 39 -18.025 -2.154 0.671 1.00 0.00 C ATOM 603 OH TYR A 39 -19.236 -2.027 1.277 1.00 0.00 O ATOM 0 H TYR A 39 -13.619 -1.278 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.620 -0.613 -0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -14.341 -2.856 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.634 -3.361 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -16.470 -1.496 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.898 -3.304 1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.722 -1.261 -1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -17.157 -3.066 2.384 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.187 -2.390 2.186 1.00 0.00 H new ATOM 613 N LEU A 40 -11.201 -0.896 -0.179 1.00 0.00 N ATOM 614 CA LEU A 40 -9.797 -1.142 0.103 1.00 0.00 C ATOM 615 C LEU A 40 -9.620 -2.590 0.563 1.00 0.00 C ATOM 616 O LEU A 40 -8.983 -3.389 -0.122 1.00 0.00 O ATOM 617 CB LEU A 40 -9.261 -0.111 1.098 1.00 0.00 C ATOM 618 CG LEU A 40 -9.075 1.309 0.559 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.404 1.888 0.070 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.407 2.208 1.601 1.00 0.00 C ATOM 0 H LEU A 40 -11.603 -0.101 0.318 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.200 -1.019 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.941 -0.069 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.301 -0.464 1.474 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.408 1.263 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.244 2.898 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.803 1.261 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.114 1.918 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.287 3.211 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.029 2.253 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.429 1.802 1.859 1.00 0.00 H new ATOM 632 N VAL A 41 -10.195 -2.885 1.719 1.00 0.00 N ATOM 633 CA VAL A 41 -10.108 -4.223 2.279 1.00 0.00 C ATOM 634 C VAL A 41 -11.513 -4.715 2.632 1.00 0.00 C ATOM 635 O VAL A 41 -12.334 -3.951 3.136 1.00 0.00 O ATOM 636 CB VAL A 41 -9.155 -4.230 3.475 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.871 -3.460 3.157 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.837 -3.667 4.723 1.00 0.00 C ATOM 0 H VAL A 41 -10.723 -2.220 2.284 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.694 -4.917 1.547 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.883 -5.265 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.211 -3.480 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.369 -3.924 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.117 -2.427 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.137 -3.683 5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.152 -2.641 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.708 -4.275 4.967 1.00 0.00 H new ATOM 648 N ARG A 42 -11.747 -5.989 2.352 1.00 0.00 N ATOM 649 CA ARG A 42 -13.039 -6.592 2.633 1.00 0.00 C ATOM 650 C ARG A 42 -12.862 -7.852 3.483 1.00 0.00 C ATOM 651 O ARG A 42 -12.012 -8.690 3.188 1.00 0.00 O ATOM 652 CB ARG A 42 -13.770 -6.956 1.340 1.00 0.00 C ATOM 653 CG ARG A 42 -15.268 -7.145 1.592 1.00 0.00 C ATOM 654 CD ARG A 42 -16.081 -6.800 0.343 1.00 0.00 C ATOM 655 NE ARG A 42 -16.864 -7.978 -0.093 1.00 0.00 N ATOM 656 CZ ARG A 42 -17.878 -7.925 -0.967 1.00 0.00 C ATOM 657 NH1 ARG A 42 -18.240 -6.751 -1.503 1.00 0.00 N ATOM 658 NH2 ARG A 42 -18.531 -9.045 -1.305 1.00 0.00 N ATOM 0 H ARG A 42 -11.064 -6.620 1.933 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.635 -5.861 3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.618 -6.171 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.349 -7.872 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.464 -8.177 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.584 -6.513 2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.750 -5.966 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.414 -6.479 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.616 -8.887 0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.743 -5.898 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -19.012 -6.711 -2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.256 -9.938 -0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.303 -9.004 -1.970 1.00 0.00 H new ATOM 672 N GLU A 43 -13.679 -7.946 4.522 1.00 0.00 N ATOM 673 CA GLU A 43 -13.624 -9.090 5.417 1.00 0.00 C ATOM 674 C GLU A 43 -14.113 -10.349 4.699 1.00 0.00 C ATOM 675 O GLU A 43 -15.233 -10.383 4.191 1.00 0.00 O ATOM 676 CB GLU A 43 -14.437 -8.832 6.687 1.00 0.00 C ATOM 677 CG GLU A 43 -14.133 -9.884 7.755 1.00 0.00 C ATOM 678 CD GLU A 43 -15.422 -10.523 8.278 1.00 0.00 C ATOM 679 OE1 GLU A 43 -16.018 -11.308 7.510 1.00 0.00 O ATOM 680 OE2 GLU A 43 -15.782 -10.211 9.434 1.00 0.00 O ATOM 0 H GLU A 43 -14.383 -7.249 4.764 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.587 -9.245 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.208 -7.839 7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.501 -8.845 6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.484 -10.654 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.590 -9.423 8.580 1.00 0.00 H new ATOM 687 N GLY A 44 -13.250 -11.354 4.680 1.00 0.00 N ATOM 688 CA GLY A 44 -13.580 -12.612 4.033 1.00 0.00 C ATOM 689 C GLY A 44 -12.625 -12.900 2.873 1.00 0.00 C ATOM 690 O GLY A 44 -12.289 -14.054 2.612 1.00 0.00 O ATOM 0 H GLY A 44 -12.322 -11.322 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.530 -13.423 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.605 -12.577 3.664 1.00 0.00 H new ATOM 694 N ASP A 45 -12.214 -11.830 2.208 1.00 0.00 N ATOM 695 CA ASP A 45 -11.303 -11.953 1.082 1.00 0.00 C ATOM 696 C ASP A 45 -9.869 -11.729 1.564 1.00 0.00 C ATOM 697 O ASP A 45 -9.649 -11.096 2.596 1.00 0.00 O ATOM 698 CB ASP A 45 -11.610 -10.906 0.009 1.00 0.00 C ATOM 699 CG ASP A 45 -13.097 -10.620 -0.209 1.00 0.00 C ATOM 700 OD1 ASP A 45 -13.910 -11.317 0.437 1.00 0.00 O ATOM 701 OD2 ASP A 45 -13.388 -9.711 -1.016 1.00 0.00 O ATOM 0 H ASP A 45 -12.495 -10.874 2.427 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.423 -12.950 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.112 -9.975 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.177 -11.237 -0.935 1.00 0.00 H new ATOM 706 N PRO A 46 -8.905 -12.274 0.775 1.00 0.00 N ATOM 707 CA PRO A 46 -7.498 -12.140 1.111 1.00 0.00 C ATOM 708 C PRO A 46 -6.994 -10.727 0.809 1.00 0.00 C ATOM 709 O PRO A 46 -7.712 -9.922 0.218 1.00 0.00 O ATOM 710 CB PRO A 46 -6.794 -13.209 0.292 1.00 0.00 C ATOM 711 CG PRO A 46 -7.763 -13.591 -0.816 1.00 0.00 C ATOM 712 CD PRO A 46 -9.129 -13.030 -0.454 1.00 0.00 C ATOM 0 HA PRO A 46 -7.305 -12.280 2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.858 -12.832 -0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.545 -14.073 0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.427 -13.190 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.812 -14.675 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.517 -12.391 -1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.857 -13.827 -0.302 1.00 0.00 H new ATOM 720 N VAL A 47 -5.764 -10.470 1.229 1.00 0.00 N ATOM 721 CA VAL A 47 -5.156 -9.168 1.011 1.00 0.00 C ATOM 722 C VAL A 47 -3.969 -9.318 0.057 1.00 0.00 C ATOM 723 O VAL A 47 -2.947 -9.898 0.419 1.00 0.00 O ATOM 724 CB VAL A 47 -4.770 -8.540 2.351 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.235 -7.120 2.157 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.952 -8.552 3.323 1.00 0.00 C ATOM 0 H VAL A 47 -5.172 -11.141 1.719 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.867 -8.488 0.541 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.972 -9.142 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.968 -6.696 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.353 -7.148 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.002 -6.503 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.651 -8.100 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.779 -7.985 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.269 -9.580 3.498 1.00 0.00 H new ATOM 736 N ASN A 48 -4.145 -8.785 -1.143 1.00 0.00 N ATOM 737 CA ASN A 48 -3.101 -8.852 -2.152 1.00 0.00 C ATOM 738 C ASN A 48 -2.123 -7.694 -1.945 1.00 0.00 C ATOM 739 O ASN A 48 -0.909 -7.883 -2.007 1.00 0.00 O ATOM 740 CB ASN A 48 -3.687 -8.731 -3.560 1.00 0.00 C ATOM 741 CG ASN A 48 -3.014 -9.714 -4.520 1.00 0.00 C ATOM 742 OD1 ASN A 48 -2.551 -10.776 -4.139 1.00 0.00 O ATOM 743 ND2 ASN A 48 -2.987 -9.302 -5.785 1.00 0.00 N ATOM 0 H ASN A 48 -4.995 -8.305 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.597 -9.814 -2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.759 -8.924 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.556 -7.713 -3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.560 -9.887 -6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.393 -8.401 -6.037 1.00 0.00 H new ATOM 750 N GLU A 49 -2.688 -6.520 -1.705 1.00 0.00 N ATOM 751 CA GLU A 49 -1.881 -5.331 -1.488 1.00 0.00 C ATOM 752 C GLU A 49 -2.496 -4.465 -0.387 1.00 0.00 C ATOM 753 O GLU A 49 -3.708 -4.493 -0.175 1.00 0.00 O ATOM 754 CB GLU A 49 -1.719 -4.536 -2.785 1.00 0.00 C ATOM 755 CG GLU A 49 -3.072 -4.034 -3.294 1.00 0.00 C ATOM 756 CD GLU A 49 -3.913 -5.187 -3.845 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.524 -5.713 -4.910 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.924 -5.515 -3.189 1.00 0.00 O ATOM 0 H GLU A 49 -3.695 -6.367 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.888 -5.643 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.053 -3.690 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.251 -5.163 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.610 -3.542 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.917 -3.287 -4.073 1.00 0.00 H new ATOM 765 N MET A 50 -1.633 -3.717 0.284 1.00 0.00 N ATOM 766 CA MET A 50 -2.077 -2.844 1.358 1.00 0.00 C ATOM 767 C MET A 50 -2.272 -1.412 0.856 1.00 0.00 C ATOM 768 O MET A 50 -1.575 -0.970 -0.056 1.00 0.00 O ATOM 769 CB MET A 50 -1.041 -2.854 2.484 1.00 0.00 C ATOM 770 CG MET A 50 -1.584 -2.159 3.734 1.00 0.00 C ATOM 771 SD MET A 50 -0.757 -2.782 5.188 1.00 0.00 S ATOM 772 CE MET A 50 -0.636 -1.280 6.145 1.00 0.00 C ATOM 0 H MET A 50 -0.629 -3.697 0.105 1.00 0.00 H new ATOM 0 HA MET A 50 -3.034 -3.212 1.729 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.769 -3.882 2.724 1.00 0.00 H new ATOM 0 HB3 MET A 50 -0.132 -2.353 2.151 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.435 -1.082 3.655 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.658 -2.328 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.211 -1.350 6.827 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.493 -0.432 5.475 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.552 -1.139 6.718 1.00 0.00 H new ATOM 782 N LEU A 51 -3.223 -0.727 1.473 1.00 0.00 N ATOM 783 CA LEU A 51 -3.519 0.646 1.100 1.00 0.00 C ATOM 784 C LEU A 51 -3.187 1.571 2.272 1.00 0.00 C ATOM 785 O LEU A 51 -3.639 1.345 3.394 1.00 0.00 O ATOM 786 CB LEU A 51 -4.963 0.769 0.610 1.00 0.00 C ATOM 787 CG LEU A 51 -5.316 -0.033 -0.645 1.00 0.00 C ATOM 788 CD1 LEU A 51 -4.140 -0.068 -1.622 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.799 -1.438 -0.279 1.00 0.00 C ATOM 0 H LEU A 51 -3.799 -1.097 2.229 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.895 0.956 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.627 0.456 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.171 1.821 0.415 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.140 0.470 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.417 -0.644 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.883 0.949 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.280 -0.534 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.043 -1.987 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.012 -1.964 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.686 -1.365 0.350 1.00 0.00 H new ATOM 801 N PHE A 52 -2.399 2.594 1.973 1.00 0.00 N ATOM 802 CA PHE A 52 -2.001 3.554 2.988 1.00 0.00 C ATOM 803 C PHE A 52 -2.666 4.911 2.749 1.00 0.00 C ATOM 804 O PHE A 52 -2.252 5.663 1.867 1.00 0.00 O ATOM 805 CB PHE A 52 -0.484 3.717 2.879 1.00 0.00 C ATOM 806 CG PHE A 52 0.306 2.470 3.284 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.309 1.376 2.476 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.005 2.457 4.450 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.042 0.219 2.851 1.00 0.00 C ATOM 810 CE2 PHE A 52 1.738 1.300 4.825 1.00 0.00 C ATOM 811 CZ PHE A 52 1.741 0.205 4.018 1.00 0.00 C ATOM 0 H PHE A 52 -2.026 2.779 1.042 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.302 3.200 3.974 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.230 3.978 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.172 4.552 3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.246 1.387 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.003 3.326 5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.045 -0.650 2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.293 1.289 5.751 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.298 -0.675 4.304 1.00 0.00 H new ATOM 821 N ILE A 53 -3.685 5.184 3.550 1.00 0.00 N ATOM 822 CA ILE A 53 -4.411 6.438 3.437 1.00 0.00 C ATOM 823 C ILE A 53 -3.444 7.604 3.652 1.00 0.00 C ATOM 824 O ILE A 53 -2.793 7.691 4.692 1.00 0.00 O ATOM 825 CB ILE A 53 -5.610 6.450 4.388 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.628 5.375 4.001 1.00 0.00 C ATOM 827 CG2 ILE A 53 -6.244 7.842 4.454 1.00 0.00 C ATOM 828 CD1 ILE A 53 -7.003 5.481 2.522 1.00 0.00 C ATOM 0 H ILE A 53 -4.025 4.558 4.280 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.826 6.549 2.435 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.253 6.210 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.214 4.387 4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.523 5.479 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.094 7.823 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.507 8.561 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.583 8.135 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.728 4.705 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.439 6.461 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.110 5.352 1.910 1.00 0.00 H new ATOM 840 N ILE A 54 -3.381 8.470 2.652 1.00 0.00 N ATOM 841 CA ILE A 54 -2.504 9.627 2.718 1.00 0.00 C ATOM 842 C ILE A 54 -3.325 10.864 3.087 1.00 0.00 C ATOM 843 O ILE A 54 -2.958 11.609 3.994 1.00 0.00 O ATOM 844 CB ILE A 54 -1.717 9.778 1.415 1.00 0.00 C ATOM 845 CG1 ILE A 54 -1.061 8.455 1.014 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.698 10.915 1.518 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.106 8.117 1.945 1.00 0.00 C ATOM 0 H ILE A 54 -3.923 8.394 1.791 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.757 9.494 3.501 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.417 10.044 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.800 7.654 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.704 8.519 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.152 11.001 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.217 11.851 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.002 10.704 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.554 7.172 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.854 8.908 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.259 8.030 2.969 1.00 0.00 H new ATOM 859 N ARG A 55 -4.422 11.043 2.366 1.00 0.00 N ATOM 860 CA ARG A 55 -5.298 12.177 2.606 1.00 0.00 C ATOM 861 C ARG A 55 -6.646 11.962 1.913 1.00 0.00 C ATOM 862 O ARG A 55 -6.695 11.700 0.712 1.00 0.00 O ATOM 863 CB ARG A 55 -4.671 13.476 2.096 1.00 0.00 C ATOM 864 CG ARG A 55 -4.268 14.384 3.259 1.00 0.00 C ATOM 865 CD ARG A 55 -2.810 14.830 3.127 1.00 0.00 C ATOM 866 NE ARG A 55 -2.507 15.873 4.132 1.00 0.00 N ATOM 867 CZ ARG A 55 -2.906 17.149 4.035 1.00 0.00 C ATOM 868 NH1 ARG A 55 -3.627 17.547 2.978 1.00 0.00 N ATOM 869 NH2 ARG A 55 -2.584 18.026 4.996 1.00 0.00 N ATOM 0 H ARG A 55 -4.724 10.422 1.616 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.448 12.258 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.795 13.247 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.379 13.997 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.919 15.258 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.406 13.856 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.146 13.977 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.629 15.216 2.124 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.960 15.604 4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.872 16.879 2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.931 18.518 2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.036 17.722 5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.887 18.997 4.923 1.00 0.00 H new ATOM 883 N GLY A 56 -7.705 12.082 2.700 1.00 0.00 N ATOM 884 CA GLY A 56 -9.049 11.904 2.177 1.00 0.00 C ATOM 885 C GLY A 56 -10.001 11.409 3.268 1.00 0.00 C ATOM 886 O GLY A 56 -9.717 11.552 4.456 1.00 0.00 O ATOM 0 H GLY A 56 -7.660 12.300 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.414 12.848 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.031 11.190 1.354 1.00 0.00 H new ATOM 890 N ARG A 57 -11.110 10.836 2.825 1.00 0.00 N ATOM 891 CA ARG A 57 -12.105 10.318 3.749 1.00 0.00 C ATOM 892 C ARG A 57 -12.528 8.907 3.337 1.00 0.00 C ATOM 893 O ARG A 57 -12.396 8.529 2.174 1.00 0.00 O ATOM 894 CB ARG A 57 -13.340 11.221 3.791 1.00 0.00 C ATOM 895 CG ARG A 57 -13.130 12.392 4.753 1.00 0.00 C ATOM 896 CD ARG A 57 -14.032 12.261 5.982 1.00 0.00 C ATOM 897 NE ARG A 57 -14.997 13.382 6.024 1.00 0.00 N ATOM 898 CZ ARG A 57 -14.729 14.584 6.552 1.00 0.00 C ATOM 899 NH1 ARG A 57 -13.524 14.829 7.085 1.00 0.00 N ATOM 900 NH2 ARG A 57 -15.665 15.543 6.546 1.00 0.00 N ATOM 0 H ARG A 57 -11.342 10.719 1.839 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.654 10.291 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.552 11.600 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.209 10.641 4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.086 12.428 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.342 13.331 4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.566 11.311 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.427 12.257 6.889 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.924 13.230 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.810 14.100 7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.321 15.744 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.582 15.358 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.460 16.458 6.948 1.00 0.00 H new ATOM 914 N LEU A 58 -13.029 8.165 4.314 1.00 0.00 N ATOM 915 CA LEU A 58 -13.472 6.803 4.068 1.00 0.00 C ATOM 916 C LEU A 58 -14.441 6.379 5.174 1.00 0.00 C ATOM 917 O LEU A 58 -14.609 7.090 6.163 1.00 0.00 O ATOM 918 CB LEU A 58 -12.271 5.869 3.911 1.00 0.00 C ATOM 919 CG LEU A 58 -11.570 5.901 2.551 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.301 6.753 2.609 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.287 4.484 2.047 1.00 0.00 C ATOM 0 H LEU A 58 -13.138 8.481 5.278 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.017 6.744 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.540 6.117 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.602 4.848 4.103 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.241 6.371 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.822 6.759 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.560 7.773 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.615 6.335 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.789 4.535 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.645 3.966 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.226 3.940 1.943 1.00 0.00 H new ATOM 933 N GLU A 59 -15.052 5.222 4.969 1.00 0.00 N ATOM 934 CA GLU A 59 -15.999 4.694 5.937 1.00 0.00 C ATOM 935 C GLU A 59 -15.540 3.323 6.436 1.00 0.00 C ATOM 936 O GLU A 59 -15.360 2.398 5.644 1.00 0.00 O ATOM 937 CB GLU A 59 -17.406 4.618 5.341 1.00 0.00 C ATOM 938 CG GLU A 59 -17.609 3.306 4.579 1.00 0.00 C ATOM 939 CD GLU A 59 -18.980 3.272 3.902 1.00 0.00 C ATOM 940 OE1 GLU A 59 -19.936 3.778 4.529 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.042 2.740 2.773 1.00 0.00 O ATOM 0 H GLU A 59 -14.910 4.635 4.147 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.036 5.374 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.147 4.699 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.566 5.461 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.826 3.192 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.518 2.465 5.266 1.00 0.00 H new ATOM 948 N SER A 60 -15.364 3.234 7.746 1.00 0.00 N ATOM 949 CA SER A 60 -14.929 1.991 8.360 1.00 0.00 C ATOM 950 C SER A 60 -16.127 1.265 8.976 1.00 0.00 C ATOM 951 O SER A 60 -16.967 1.886 9.625 1.00 0.00 O ATOM 952 CB SER A 60 -13.859 2.246 9.423 1.00 0.00 C ATOM 953 OG SER A 60 -13.440 1.042 10.059 1.00 0.00 O ATOM 0 H SER A 60 -15.515 4.003 8.399 1.00 0.00 H new ATOM 0 HA SER A 60 -14.490 1.362 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.998 2.731 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.249 2.935 10.172 1.00 0.00 H new ATOM 0 HG SER A 60 -13.316 1.204 11.017 1.00 0.00 H new ATOM 959 N VAL A 61 -16.166 -0.041 8.752 1.00 0.00 N ATOM 960 CA VAL A 61 -17.247 -0.858 9.277 1.00 0.00 C ATOM 961 C VAL A 61 -16.673 -2.170 9.815 1.00 0.00 C ATOM 962 O VAL A 61 -15.651 -2.651 9.327 1.00 0.00 O ATOM 963 CB VAL A 61 -18.315 -1.068 8.202 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.098 -2.358 8.452 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.254 0.137 8.119 1.00 0.00 C ATOM 0 H VAL A 61 -15.467 -0.553 8.214 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.738 -0.353 10.109 1.00 0.00 H new ATOM 0 HB VAL A 61 -17.809 -1.164 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -19.851 -2.483 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -18.415 -3.207 8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.587 -2.304 9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.004 -0.038 7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -19.749 0.280 9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -18.680 1.029 7.871 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.717 1.195 12.500 1.00 0.00 N ATOM 1127 CA ARG A 73 -20.086 2.051 11.510 1.00 0.00 C ATOM 1128 C ARG A 73 -19.210 3.101 12.197 1.00 0.00 C ATOM 1129 O ARG A 73 -19.592 3.656 13.226 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.132 2.757 10.645 1.00 0.00 C ATOM 1131 CG ARG A 73 -20.471 3.506 9.486 1.00 0.00 C ATOM 1132 CD ARG A 73 -21.521 4.055 8.518 1.00 0.00 C ATOM 1133 NE ARG A 73 -21.180 5.444 8.137 1.00 0.00 N ATOM 1134 CZ ARG A 73 -21.292 6.498 8.958 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -21.735 6.327 10.210 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -20.959 7.722 8.526 1.00 0.00 N ATOM 0 HA ARG A 73 -19.469 1.419 10.871 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -21.839 2.026 10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.702 3.456 11.256 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.867 4.325 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.795 2.836 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.571 3.427 7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.506 4.028 8.983 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.838 5.610 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.987 5.395 10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.820 7.129 10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.620 7.852 7.573 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -21.044 8.524 9.151 1.00 0.00 H new ATOM 1150 N SER A 74 -18.053 3.343 11.600 1.00 0.00 N ATOM 1151 CA SER A 74 -17.120 4.317 12.141 1.00 0.00 C ATOM 1152 C SER A 74 -16.418 5.058 11.002 1.00 0.00 C ATOM 1153 O SER A 74 -16.570 4.699 9.835 1.00 0.00 O ATOM 1154 CB SER A 74 -16.090 3.645 13.052 1.00 0.00 C ATOM 1155 OG SER A 74 -16.686 3.118 14.234 1.00 0.00 O ATOM 0 H SER A 74 -17.740 2.881 10.746 1.00 0.00 H new ATOM 0 HA SER A 74 -17.682 5.034 12.740 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.594 2.842 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.321 4.368 13.325 1.00 0.00 H new ATOM 0 HG SER A 74 -15.996 2.696 14.788 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.663 6.080 11.380 1.00 0.00 N ATOM 1162 CA LEU A 75 -14.937 6.875 10.405 1.00 0.00 C ATOM 1163 C LEU A 75 -13.448 6.873 10.758 1.00 0.00 C ATOM 1164 O LEU A 75 -13.084 6.727 11.924 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.542 8.276 10.299 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.648 8.856 8.887 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.728 8.135 8.078 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.880 10.368 8.931 1.00 0.00 C ATOM 0 H LEU A 75 -15.539 6.375 12.348 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.030 6.437 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.540 8.253 10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.943 8.956 10.905 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.699 8.690 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.783 8.566 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.480 7.076 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.691 8.248 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.952 10.755 7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.806 10.579 9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.048 10.849 9.444 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.629 7.035 9.730 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.188 7.054 9.917 1.00 0.00 C ATOM 1182 C LEU A 76 -10.640 8.418 9.494 1.00 0.00 C ATOM 1183 O LEU A 76 -11.314 9.171 8.792 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.538 5.877 9.187 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.213 4.516 9.373 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.688 3.500 8.357 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -11.059 4.020 10.812 1.00 0.00 C ATOM 0 H LEU A 76 -12.935 7.154 8.764 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.939 6.923 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.513 6.105 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.503 5.796 9.520 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.280 4.636 9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.184 2.542 8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.893 3.856 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.613 3.377 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.547 3.051 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.000 3.920 11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.519 4.734 11.494 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.423 8.696 9.938 1.00 0.00 N ATOM 1200 CA LYS A 77 -8.778 9.956 9.614 1.00 0.00 C ATOM 1201 C LYS A 77 -7.355 9.684 9.122 1.00 0.00 C ATOM 1202 O LYS A 77 -6.946 8.530 9.002 1.00 0.00 O ATOM 1203 CB LYS A 77 -8.843 10.914 10.806 1.00 0.00 C ATOM 1204 CG LYS A 77 -7.795 10.551 11.859 1.00 0.00 C ATOM 1205 CD LYS A 77 -7.738 11.608 12.963 1.00 0.00 C ATOM 1206 CE LYS A 77 -6.348 11.662 13.601 1.00 0.00 C ATOM 1207 NZ LYS A 77 -6.063 10.405 14.329 1.00 0.00 N ATOM 0 H LYS A 77 -8.867 8.069 10.520 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.307 10.456 8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.682 11.936 10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.838 10.880 11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.032 9.579 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.817 10.460 11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.990 12.584 12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.483 11.383 13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.594 11.822 12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.288 12.508 14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.130 10.471 14.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.792 10.251 15.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.066 9.608 13.660 1.00 0.00 H new ATOM 1221 N GLU A 78 -6.639 10.765 8.850 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.271 10.657 8.374 1.00 0.00 C ATOM 1223 C GLU A 78 -4.391 9.990 9.433 1.00 0.00 C ATOM 1224 O GLU A 78 -4.271 10.490 10.550 1.00 0.00 O ATOM 1225 CB GLU A 78 -4.716 12.029 7.985 1.00 0.00 C ATOM 1226 CG GLU A 78 -5.534 12.651 6.851 1.00 0.00 C ATOM 1227 CD GLU A 78 -6.702 13.470 7.403 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -6.426 14.368 8.229 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -7.845 13.180 6.988 1.00 0.00 O ATOM 0 H GLU A 78 -6.981 11.721 8.950 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.266 10.033 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.729 12.689 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.676 11.930 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.893 13.289 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.913 11.865 6.198 1.00 0.00 H new ATOM 1236 N GLY A 79 -3.799 8.870 9.044 1.00 0.00 N ATOM 1237 CA GLY A 79 -2.934 8.128 9.946 1.00 0.00 C ATOM 1238 C GLY A 79 -3.388 6.672 10.067 1.00 0.00 C ATOM 1239 O GLY A 79 -2.563 5.772 10.219 1.00 0.00 O ATOM 0 H GLY A 79 -3.901 8.458 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.907 8.163 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.940 8.597 10.930 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.697 6.485 9.994 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.270 5.154 10.093 1.00 0.00 C ATOM 1245 C ASP A 80 -4.924 4.359 8.832 1.00 0.00 C ATOM 1246 O ASP A 80 -4.995 4.886 7.723 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.794 5.217 10.208 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.370 4.625 11.496 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -7.054 3.447 11.770 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -8.115 5.363 12.177 1.00 0.00 O ATOM 0 H ASP A 80 -5.378 7.234 9.867 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.861 4.677 10.983 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.106 6.259 10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.230 4.692 9.358 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.558 3.104 9.045 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.200 2.231 7.939 1.00 0.00 C ATOM 1257 C PHE A 81 -5.134 1.021 7.872 1.00 0.00 C ATOM 1258 O PHE A 81 -5.720 0.628 8.880 1.00 0.00 O ATOM 1259 CB PHE A 81 -2.772 1.746 8.196 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.445 1.529 9.674 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.916 0.429 10.321 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.683 2.436 10.342 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.613 0.228 11.693 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.379 2.235 11.715 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.851 1.135 12.361 1.00 0.00 C ATOM 0 H PHE A 81 -4.501 2.670 9.966 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.282 2.772 6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.615 0.811 7.659 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.073 2.473 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.521 -0.292 9.791 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.309 3.309 9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.988 -0.645 12.206 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.774 2.955 12.246 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.621 0.982 13.405 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.243 0.463 6.675 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.095 -0.695 6.464 1.00 0.00 C ATOM 1277 C CYS A 82 -5.205 -1.887 6.105 1.00 0.00 C ATOM 1278 O CYS A 82 -4.003 -1.729 5.898 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.154 -0.430 5.393 1.00 0.00 C ATOM 1280 SG CYS A 82 -8.165 1.023 5.858 1.00 0.00 S ATOM 0 H CYS A 82 -4.755 0.791 5.841 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.645 -0.916 7.378 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.674 -0.256 4.430 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.793 -1.306 5.277 1.00 0.00 H new ATOM 0 HG CYS A 82 -9.060 1.241 4.940 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.831 -3.053 6.041 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.111 -4.271 5.710 1.00 0.00 C ATOM 1288 C GLY A 83 -3.715 -4.270 6.336 1.00 0.00 C ATOM 1289 O GLY A 83 -2.766 -4.787 5.747 1.00 0.00 O ATOM 0 H GLY A 83 -6.828 -3.180 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.671 -5.136 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.028 -4.366 4.627 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.633 -3.684 7.521 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.368 -3.609 8.233 1.00 0.00 C ATOM 1295 C ASP A 84 -1.844 -5.024 8.483 1.00 0.00 C ATOM 1296 O ASP A 84 -0.639 -5.228 8.624 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.540 -2.922 9.589 1.00 0.00 C ATOM 1298 CG ASP A 84 -2.613 -3.868 10.789 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -1.535 -4.351 11.197 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -3.745 -4.087 11.271 1.00 0.00 O ATOM 0 H ASP A 84 -4.422 -3.257 8.006 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.671 -3.034 7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.708 -2.233 9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.450 -2.322 9.563 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.774 -5.966 8.531 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.421 -7.356 8.761 1.00 0.00 C ATOM 1307 C GLU A 85 -1.429 -7.835 7.700 1.00 0.00 C ATOM 1308 O GLU A 85 -0.720 -8.819 7.906 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.668 -8.242 8.785 1.00 0.00 C ATOM 1310 CG GLU A 85 -4.394 -8.132 10.127 1.00 0.00 C ATOM 1311 CD GLU A 85 -3.476 -8.537 11.282 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -2.573 -9.362 11.026 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -3.699 -8.012 12.395 1.00 0.00 O ATOM 0 H GLU A 85 -3.773 -5.794 8.414 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.943 -7.432 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.341 -7.950 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.385 -9.279 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.740 -7.109 10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.278 -8.770 10.120 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.409 -7.116 6.587 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.515 -7.455 5.493 1.00 0.00 C ATOM 1322 C LEU A 86 0.913 -7.044 5.861 1.00 0.00 C ATOM 1323 O LEU A 86 1.862 -7.778 5.592 1.00 0.00 O ATOM 1324 CB LEU A 86 -1.013 -6.840 4.184 1.00 0.00 C ATOM 1325 CG LEU A 86 -0.145 -7.094 2.950 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.211 -8.563 2.526 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.525 -6.150 1.808 1.00 0.00 C ATOM 0 H LEU A 86 -1.998 -6.300 6.419 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.505 -8.533 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.014 -7.222 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.105 -5.763 4.324 1.00 0.00 H new ATOM 0 HG LEU A 86 0.891 -6.881 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.415 -8.716 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.147 -9.193 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.241 -8.827 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.107 -6.352 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.569 -6.307 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.384 -5.117 2.127 1.00 0.00 H new ATOM 1339 N LEU A 87 1.019 -5.871 6.469 1.00 0.00 N ATOM 1340 CA LEU A 87 2.314 -5.354 6.876 1.00 0.00 C ATOM 1341 C LEU A 87 2.997 -6.368 7.796 1.00 0.00 C ATOM 1342 O LEU A 87 4.154 -6.727 7.580 1.00 0.00 O ATOM 1343 CB LEU A 87 2.165 -3.964 7.497 1.00 0.00 C ATOM 1344 CG LEU A 87 3.320 -2.992 7.251 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.592 -2.831 5.754 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.061 -1.647 7.934 1.00 0.00 C ATOM 0 H LEU A 87 0.229 -5.264 6.689 1.00 0.00 H new ATOM 0 HA LEU A 87 2.961 -5.223 6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.249 -3.513 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.037 -4.080 8.573 1.00 0.00 H new ATOM 0 HG LEU A 87 4.220 -3.412 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.418 -2.135 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.853 -3.799 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.700 -2.445 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.898 -0.975 7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.145 -1.208 7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.955 -1.799 9.008 1.00 0.00 H new ATOM 1358 N THR A 88 2.253 -6.802 8.803 1.00 0.00 N ATOM 1359 CA THR A 88 2.772 -7.767 9.756 1.00 0.00 C ATOM 1360 C THR A 88 2.910 -9.143 9.101 1.00 0.00 C ATOM 1361 O THR A 88 3.864 -9.871 9.372 1.00 0.00 O ATOM 1362 CB THR A 88 1.852 -7.766 10.979 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.590 -7.052 11.967 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.677 -9.162 11.581 1.00 0.00 C ATOM 0 H THR A 88 1.294 -6.502 8.979 1.00 0.00 H new ATOM 0 HA THR A 88 3.775 -7.497 10.085 1.00 0.00 H new ATOM 0 HB THR A 88 0.877 -7.366 10.700 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.066 -7.002 12.794 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.016 -9.105 12.445 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.243 -9.828 10.835 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.648 -9.549 11.892 1.00 0.00 H new ATOM 1372 N TRP A 89 1.944 -9.457 8.251 1.00 0.00 N ATOM 1373 CA TRP A 89 1.945 -10.733 7.554 1.00 0.00 C ATOM 1374 C TRP A 89 3.377 -11.020 7.098 1.00 0.00 C ATOM 1375 O TRP A 89 3.994 -11.984 7.548 1.00 0.00 O ATOM 1376 CB TRP A 89 0.939 -10.729 6.402 1.00 0.00 C ATOM 1377 CG TRP A 89 1.172 -11.834 5.369 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.736 -13.101 5.404 1.00 0.00 C ATOM 1379 CD2 TRP A 89 1.919 -11.718 4.140 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.146 -13.807 4.291 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.888 -12.940 3.498 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.598 -10.618 3.588 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.518 -13.177 2.271 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.222 -10.871 2.361 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.201 -12.095 1.702 1.00 0.00 C ATOM 0 H TRP A 89 1.155 -8.850 8.029 1.00 0.00 H new ATOM 0 HA TRP A 89 1.623 -11.536 8.217 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.066 -10.834 6.810 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.980 -9.762 5.900 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.139 -13.517 6.202 1.00 0.00 H new ATOM 0 HE1 TRP A 89 0.942 -14.785 4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.635 -9.654 4.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.479 -14.143 1.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.758 -10.058 1.893 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.709 -12.211 0.756 1.00 0.00 H new ATOM 1396 N ALA A 90 3.863 -10.166 6.209 1.00 0.00 N ATOM 1397 CA ALA A 90 5.211 -10.316 5.687 1.00 0.00 C ATOM 1398 C ALA A 90 6.180 -10.550 6.847 1.00 0.00 C ATOM 1399 O ALA A 90 6.985 -11.479 6.810 1.00 0.00 O ATOM 1400 CB ALA A 90 5.578 -9.083 4.859 1.00 0.00 C ATOM 0 H ALA A 90 3.348 -9.368 5.837 1.00 0.00 H new ATOM 0 HA ALA A 90 5.273 -11.181 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.589 -9.195 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.877 -8.979 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.529 -8.194 5.488 1.00 0.00 H new ATOM 1406 N LEU A 91 6.071 -9.691 7.850 1.00 0.00 N ATOM 1407 CA LEU A 91 6.928 -9.792 9.019 1.00 0.00 C ATOM 1408 C LEU A 91 6.860 -11.216 9.574 1.00 0.00 C ATOM 1409 O LEU A 91 7.866 -11.758 10.028 1.00 0.00 O ATOM 1410 CB LEU A 91 6.566 -8.715 10.043 1.00 0.00 C ATOM 1411 CG LEU A 91 7.362 -7.411 9.956 1.00 0.00 C ATOM 1412 CD1 LEU A 91 8.846 -7.691 9.709 1.00 0.00 C ATOM 1413 CD2 LEU A 91 6.771 -6.477 8.898 1.00 0.00 C ATOM 0 H LEU A 91 5.402 -8.922 7.877 1.00 0.00 H new ATOM 0 HA LEU A 91 7.967 -9.605 8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.507 -8.479 9.934 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.698 -9.132 11.041 1.00 0.00 H new ATOM 0 HG LEU A 91 7.286 -6.899 10.915 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.390 -6.748 9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.244 -8.290 10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.963 -8.235 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.355 -5.558 8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.797 -6.967 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.739 -6.240 9.158 1.00 0.00 H new ATOM 1425 N ASP A 92 5.663 -11.782 9.518 1.00 0.00 N ATOM 1426 CA ASP A 92 5.451 -13.133 10.010 1.00 0.00 C ATOM 1427 C ASP A 92 5.949 -14.135 8.967 1.00 0.00 C ATOM 1428 O ASP A 92 5.399 -14.220 7.870 1.00 0.00 O ATOM 1429 CB ASP A 92 3.964 -13.403 10.253 1.00 0.00 C ATOM 1430 CG ASP A 92 3.641 -14.091 11.580 1.00 0.00 C ATOM 1431 OD1 ASP A 92 4.209 -13.649 12.602 1.00 0.00 O ATOM 1432 OD2 ASP A 92 2.832 -15.044 11.544 1.00 0.00 O ATOM 0 H ASP A 92 4.831 -11.330 9.140 1.00 0.00 H new ATOM 0 HA ASP A 92 5.995 -13.240 10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.427 -12.456 10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.584 -14.020 9.439 1.00 0.00 H new ATOM 1437 N PRO A 93 7.013 -14.888 9.355 1.00 0.00 N ATOM 1438 CA PRO A 93 7.592 -15.880 8.466 1.00 0.00 C ATOM 1439 C PRO A 93 6.703 -17.122 8.377 1.00 0.00 C ATOM 1440 O PRO A 93 6.593 -17.737 7.318 1.00 0.00 O ATOM 1441 CB PRO A 93 8.966 -16.174 9.047 1.00 0.00 C ATOM 1442 CG PRO A 93 8.923 -15.689 10.486 1.00 0.00 C ATOM 1443 CD PRO A 93 7.691 -14.814 10.647 1.00 0.00 C ATOM 0 HA PRO A 93 7.675 -15.526 7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.190 -17.240 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.746 -15.660 8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.883 -16.535 11.173 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.825 -15.126 10.726 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.051 -15.176 11.452 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.963 -13.788 10.893 1.00 0.00 H new ATOM 1451 N LYS A 94 6.089 -17.453 9.504 1.00 0.00 N ATOM 1452 CA LYS A 94 5.212 -18.610 9.566 1.00 0.00 C ATOM 1453 C LYS A 94 4.155 -18.503 8.466 1.00 0.00 C ATOM 1454 O LYS A 94 3.796 -19.503 7.845 1.00 0.00 O ATOM 1455 CB LYS A 94 4.626 -18.763 10.971 1.00 0.00 C ATOM 1456 CG LYS A 94 5.734 -18.864 12.020 1.00 0.00 C ATOM 1457 CD LYS A 94 6.718 -19.983 11.672 1.00 0.00 C ATOM 1458 CE LYS A 94 7.167 -20.730 12.929 1.00 0.00 C ATOM 1459 NZ LYS A 94 8.103 -19.899 13.719 1.00 0.00 N ATOM 0 H LYS A 94 6.182 -16.940 10.381 1.00 0.00 H new ATOM 0 HA LYS A 94 5.774 -19.525 9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.984 -17.911 11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.999 -19.654 11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.266 -17.915 12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.296 -19.052 13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.250 -20.681 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.587 -19.563 11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.299 -20.987 13.536 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.650 -21.667 12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.398 -20.421 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.939 -19.675 13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.630 -19.017 14.001 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.506 -15.686 0.994 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.538 -14.376 1.621 1.00 0.00 C ATOM 1518 C LEU A 99 -3.458 -14.421 2.843 1.00 0.00 C ATOM 1519 O LEU A 99 -4.335 -15.279 2.932 1.00 0.00 O ATOM 1520 CB LEU A 99 -2.924 -13.303 0.601 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.062 -13.237 -0.662 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -2.903 -12.849 -1.880 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.871 -12.297 -0.464 1.00 0.00 C ATOM 0 HA LEU A 99 -1.546 -14.102 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.959 -13.469 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.887 -12.331 1.094 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.659 -14.231 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.266 -12.809 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.688 -13.590 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.355 -11.871 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.275 -12.268 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.233 -11.295 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.256 -12.658 0.360 1.00 0.00 H new ATOM 1535 N PRO A 100 -3.219 -13.464 3.778 1.00 0.00 N ATOM 1536 CA PRO A 100 -4.016 -13.387 4.991 1.00 0.00 C ATOM 1537 C PRO A 100 -5.402 -12.807 4.701 1.00 0.00 C ATOM 1538 O PRO A 100 -5.715 -12.481 3.557 1.00 0.00 O ATOM 1539 CB PRO A 100 -3.200 -12.528 5.944 1.00 0.00 C ATOM 1540 CG PRO A 100 -2.204 -11.775 5.077 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.188 -12.432 3.707 1.00 0.00 C ATOM 0 HA PRO A 100 -4.213 -14.366 5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.840 -11.838 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.687 -13.144 6.683 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.487 -10.726 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.211 -11.802 5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.404 -11.710 2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.211 -12.863 3.486 1.00 0.00 H new ATOM 1549 N SER A 101 -6.195 -12.696 5.756 1.00 0.00 N ATOM 1550 CA SER A 101 -7.540 -12.161 5.629 1.00 0.00 C ATOM 1551 C SER A 101 -7.693 -10.916 6.505 1.00 0.00 C ATOM 1552 O SER A 101 -7.470 -10.971 7.713 1.00 0.00 O ATOM 1553 CB SER A 101 -8.587 -13.210 6.009 1.00 0.00 C ATOM 1554 OG SER A 101 -8.194 -14.523 5.621 1.00 0.00 O ATOM 0 H SER A 101 -5.932 -12.968 6.703 1.00 0.00 H new ATOM 0 HA SER A 101 -7.702 -11.886 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.751 -13.184 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.537 -12.962 5.536 1.00 0.00 H new ATOM 0 HG SER A 101 -8.888 -15.163 5.883 1.00 0.00 H new ATOM 1560 N SER A 102 -8.071 -9.822 5.861 1.00 0.00 N ATOM 1561 CA SER A 102 -8.256 -8.565 6.565 1.00 0.00 C ATOM 1562 C SER A 102 -9.615 -8.555 7.269 1.00 0.00 C ATOM 1563 O SER A 102 -10.643 -8.813 6.645 1.00 0.00 O ATOM 1564 CB SER A 102 -8.145 -7.376 5.609 1.00 0.00 C ATOM 1565 OG SER A 102 -8.773 -6.209 6.133 1.00 0.00 O ATOM 0 H SER A 102 -8.254 -9.780 4.858 1.00 0.00 H new ATOM 0 HA SER A 102 -7.466 -8.471 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.094 -7.165 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.601 -7.635 4.654 1.00 0.00 H new ATOM 0 HG SER A 102 -8.110 -5.493 6.222 1.00 0.00 H new ATOM 1571 N THR A 103 -9.575 -8.254 8.559 1.00 0.00 N ATOM 1572 CA THR A 103 -10.791 -8.207 9.354 1.00 0.00 C ATOM 1573 C THR A 103 -11.384 -6.797 9.338 1.00 0.00 C ATOM 1574 O THR A 103 -12.159 -6.436 10.223 1.00 0.00 O ATOM 1575 CB THR A 103 -10.456 -8.710 10.759 1.00 0.00 C ATOM 1576 OG1 THR A 103 -11.566 -8.295 11.550 1.00 0.00 O ATOM 1577 CG2 THR A 103 -9.264 -7.975 11.376 1.00 0.00 C ATOM 0 H THR A 103 -8.720 -8.040 9.073 1.00 0.00 H new ATOM 0 HA THR A 103 -11.562 -8.854 8.937 1.00 0.00 H new ATOM 0 HB THR A 103 -10.243 -9.778 10.720 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.296 -8.006 10.963 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.069 -8.371 12.373 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.384 -8.119 10.750 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.489 -6.911 11.446 1.00 0.00 H new ATOM 1585 N ARG A 104 -10.997 -6.038 8.324 1.00 0.00 N ATOM 1586 CA ARG A 104 -11.481 -4.675 8.181 1.00 0.00 C ATOM 1587 C ARG A 104 -12.363 -4.552 6.937 1.00 0.00 C ATOM 1588 O ARG A 104 -12.271 -5.370 6.024 1.00 0.00 O ATOM 1589 CB ARG A 104 -10.318 -3.686 8.074 1.00 0.00 C ATOM 1590 CG ARG A 104 -10.396 -2.627 9.175 1.00 0.00 C ATOM 1591 CD ARG A 104 -9.895 -1.272 8.669 1.00 0.00 C ATOM 1592 NE ARG A 104 -9.076 -0.614 9.711 1.00 0.00 N ATOM 1593 CZ ARG A 104 -9.584 0.081 10.738 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -10.911 0.213 10.866 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -8.765 0.645 11.636 1.00 0.00 N ATOM 0 H ARG A 104 -10.353 -6.341 7.593 1.00 0.00 H new ATOM 0 HA ARG A 104 -12.066 -4.436 9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.372 -4.222 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.336 -3.202 7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.425 -2.532 9.521 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.800 -2.943 10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.304 -1.409 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.741 -0.638 8.405 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.061 -0.694 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.534 -0.215 10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.298 0.742 11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.755 0.545 11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.152 1.174 12.418 1.00 0.00 H new ATOM 1609 N THR A 105 -13.197 -3.523 6.942 1.00 0.00 N ATOM 1610 CA THR A 105 -14.094 -3.282 5.825 1.00 0.00 C ATOM 1611 C THR A 105 -14.264 -1.780 5.591 1.00 0.00 C ATOM 1612 O THR A 105 -15.052 -1.126 6.273 1.00 0.00 O ATOM 1613 CB THR A 105 -15.412 -4.004 6.113 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.037 -5.374 6.236 1.00 0.00 O ATOM 1615 CG2 THR A 105 -16.364 -3.985 4.915 1.00 0.00 C ATOM 0 H THR A 105 -13.271 -2.847 7.702 1.00 0.00 H new ATOM 0 HA THR A 105 -13.684 -3.679 4.897 1.00 0.00 H new ATOM 0 HB THR A 105 -15.899 -3.542 6.971 1.00 0.00 H new ATOM 0 HG1 THR A 105 -15.832 -5.915 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 105 -17.284 -4.511 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.597 -2.953 4.652 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.890 -4.478 4.066 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.512 -1.275 4.624 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.569 0.138 4.291 1.00 0.00 C ATOM 1625 C VAL A 106 -14.006 0.297 2.833 1.00 0.00 C ATOM 1626 O VAL A 106 -13.971 -0.661 2.063 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.221 0.800 4.587 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -12.227 2.270 4.162 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -11.854 0.659 6.066 1.00 0.00 C ATOM 0 H VAL A 106 -12.860 -1.820 4.060 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.309 0.647 4.909 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.459 0.285 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.258 2.717 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.422 2.339 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -13.005 2.803 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.892 1.138 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.619 1.136 6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.789 -0.398 6.326 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.407 1.515 2.499 1.00 0.00 N ATOM 1640 CA LYS A 107 -14.851 1.812 1.148 1.00 0.00 C ATOM 1641 C LYS A 107 -14.666 3.306 0.872 1.00 0.00 C ATOM 1642 O LYS A 107 -14.738 4.123 1.788 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.283 1.320 0.933 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.683 1.420 -0.540 1.00 0.00 C ATOM 1645 CD LYS A 107 -17.740 2.505 -0.749 1.00 0.00 C ATOM 1646 CE LYS A 107 -19.074 1.894 -1.185 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.576 2.564 -2.406 1.00 0.00 N ATOM 0 H LYS A 107 -14.434 2.307 3.141 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.242 1.275 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.370 0.286 1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -16.969 1.910 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.804 1.643 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -17.070 0.460 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -17.878 3.066 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -17.396 3.212 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -18.948 0.828 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -19.805 1.992 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.433 3.106 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -18.847 3.208 -2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.801 1.849 -3.127 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.431 3.616 -0.395 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.236 4.997 -0.802 1.00 0.00 C ATOM 1663 C ALA A 108 -15.582 5.600 -1.210 1.00 0.00 C ATOM 1664 O ALA A 108 -16.149 5.225 -2.235 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.206 5.055 -1.932 1.00 0.00 C ATOM 0 H ALA A 108 -14.371 2.935 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.847 5.589 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.059 6.091 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.259 4.642 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.564 4.473 -2.781 1.00 0.00 H new ATOM 1671 N LEU A 109 -16.054 6.523 -0.386 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.323 7.181 -0.647 1.00 0.00 C ATOM 1673 C LEU A 109 -17.065 8.522 -1.338 1.00 0.00 C ATOM 1674 O LEU A 109 -17.937 9.047 -2.028 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.140 7.300 0.641 1.00 0.00 C ATOM 1676 CG LEU A 109 -17.892 6.220 1.695 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.880 6.695 2.740 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.206 5.765 2.334 1.00 0.00 C ATOM 0 H LEU A 109 -15.581 6.831 0.463 1.00 0.00 H new ATOM 0 HA LEU A 109 -17.929 6.583 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.934 8.272 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.198 7.288 0.379 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.458 5.352 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.722 5.908 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.934 6.929 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -17.262 7.587 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.001 4.997 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.691 6.615 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -19.863 5.358 1.565 1.00 0.00 H new ATOM 1690 N THR A 110 -15.862 9.038 -1.127 1.00 0.00 N ATOM 1691 CA THR A 110 -15.478 10.307 -1.721 1.00 0.00 C ATOM 1692 C THR A 110 -14.036 10.244 -2.227 1.00 0.00 C ATOM 1693 O THR A 110 -13.237 9.445 -1.740 1.00 0.00 O ATOM 1694 CB THR A 110 -15.710 11.405 -0.681 1.00 0.00 C ATOM 1695 OG1 THR A 110 -15.317 12.602 -1.346 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.746 11.303 0.503 1.00 0.00 C ATOM 0 H THR A 110 -15.141 8.600 -0.553 1.00 0.00 H new ATOM 0 HA THR A 110 -16.087 10.535 -2.596 1.00 0.00 H new ATOM 0 HB THR A 110 -16.737 11.351 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 110 -15.437 13.365 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.953 12.105 1.211 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.877 10.340 0.997 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.720 11.391 0.145 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.745 11.098 -3.197 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.413 11.150 -3.775 1.00 0.00 C ATOM 1706 C GLU A 111 -11.354 11.042 -2.676 1.00 0.00 C ATOM 1707 O GLU A 111 -11.409 11.765 -1.682 1.00 0.00 O ATOM 1708 CB GLU A 111 -12.221 12.425 -4.598 1.00 0.00 C ATOM 1709 CG GLU A 111 -11.702 12.101 -6.000 1.00 0.00 C ATOM 1710 CD GLU A 111 -12.295 13.054 -7.039 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -13.439 12.787 -7.466 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -11.591 14.028 -7.382 1.00 0.00 O ATOM 0 H GLU A 111 -14.410 11.760 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.297 10.302 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.168 12.960 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.519 13.087 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.614 12.173 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.957 11.073 -6.257 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.414 10.133 -2.891 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.344 9.921 -1.932 1.00 0.00 C ATOM 1721 C VAL A 112 -8.004 9.874 -2.670 1.00 0.00 C ATOM 1722 O VAL A 112 -7.969 9.717 -3.889 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.619 8.659 -1.112 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -10.303 9.004 0.212 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -10.449 7.654 -1.913 1.00 0.00 C ATOM 0 H VAL A 112 -10.372 9.535 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.296 10.749 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.661 8.193 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.487 8.089 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.659 9.665 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.251 9.504 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.630 6.766 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.402 8.106 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.907 7.372 -2.816 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.935 10.013 -1.900 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.597 9.988 -2.465 1.00 0.00 C ATOM 1737 C GLU A 113 -4.655 9.187 -1.565 1.00 0.00 C ATOM 1738 O GLU A 113 -4.394 9.579 -0.428 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.069 11.407 -2.687 1.00 0.00 C ATOM 1740 CG GLU A 113 -5.611 11.996 -3.991 1.00 0.00 C ATOM 1741 CD GLU A 113 -4.472 12.328 -4.957 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -3.450 12.858 -4.470 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -4.648 12.043 -6.161 1.00 0.00 O ATOM 0 H GLU A 113 -6.968 10.143 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.644 9.497 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.358 12.042 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.979 11.393 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.294 11.287 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.185 12.897 -3.776 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.170 8.079 -2.106 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.262 7.219 -1.366 1.00 0.00 C ATOM 1752 C ALA A 114 -2.499 6.327 -2.346 1.00 0.00 C ATOM 1753 O ALA A 114 -2.775 6.337 -3.545 1.00 0.00 O ATOM 1754 CB ALA A 114 -4.052 6.411 -0.335 1.00 0.00 C ATOM 0 H ALA A 114 -4.389 7.757 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.528 7.813 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.372 5.766 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.552 7.091 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.797 5.800 -0.845 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.553 5.576 -1.800 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.748 4.680 -2.612 1.00 0.00 C ATOM 1762 C PHE A 115 -1.077 3.218 -2.305 1.00 0.00 C ATOM 1763 O PHE A 115 -1.839 2.929 -1.383 1.00 0.00 O ATOM 1764 CB PHE A 115 0.716 4.946 -2.254 1.00 0.00 C ATOM 1765 CG PHE A 115 1.232 6.309 -2.719 1.00 0.00 C ATOM 1766 CD1 PHE A 115 1.120 7.393 -1.905 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.803 6.438 -3.947 1.00 0.00 C ATOM 1768 CE1 PHE A 115 1.599 8.658 -2.336 1.00 0.00 C ATOM 1769 CE2 PHE A 115 2.282 7.703 -4.379 1.00 0.00 C ATOM 1770 CZ PHE A 115 2.170 8.786 -3.564 1.00 0.00 C ATOM 0 H PHE A 115 -1.326 5.570 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.947 4.856 -3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.834 4.874 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.335 4.165 -2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.666 7.291 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.892 5.578 -4.594 1.00 0.00 H new ATOM 0 HE1 PHE A 115 1.510 9.518 -1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.735 7.805 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.535 9.748 -3.892 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.487 2.333 -3.096 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.709 0.908 -2.920 1.00 0.00 C ATOM 1782 C ALA A 116 0.604 0.239 -2.508 1.00 0.00 C ATOM 1783 O ALA A 116 1.684 0.738 -2.819 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.283 0.318 -4.210 1.00 0.00 C ATOM 0 H ALA A 116 0.144 2.575 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.435 0.728 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.450 -0.751 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.229 0.807 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.580 0.478 -5.027 1.00 0.00 H new ATOM 1790 N LEU A 117 0.468 -0.881 -1.812 1.00 0.00 N ATOM 1791 CA LEU A 117 1.630 -1.623 -1.354 1.00 0.00 C ATOM 1792 C LEU A 117 1.392 -3.119 -1.570 1.00 0.00 C ATOM 1793 O LEU A 117 0.452 -3.688 -1.018 1.00 0.00 O ATOM 1794 CB LEU A 117 1.963 -1.256 0.094 1.00 0.00 C ATOM 1795 CG LEU A 117 3.449 -1.236 0.456 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.144 -2.517 -0.009 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.131 0.019 -0.094 1.00 0.00 C ATOM 0 H LEU A 117 -0.429 -1.292 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 117 2.510 -1.352 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.545 -0.271 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.459 -1.963 0.752 1.00 0.00 H new ATOM 0 HG LEU A 117 3.535 -1.199 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.199 -2.477 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.679 -3.378 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.049 -2.610 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.187 0.008 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.036 0.039 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.657 0.905 0.328 1.00 0.00 H new ATOM 1809 N ILE A 118 2.261 -3.713 -2.375 1.00 0.00 N ATOM 1810 CA ILE A 118 2.157 -5.132 -2.671 1.00 0.00 C ATOM 1811 C ILE A 118 2.839 -5.931 -1.559 1.00 0.00 C ATOM 1812 O ILE A 118 3.856 -5.504 -1.016 1.00 0.00 O ATOM 1813 CB ILE A 118 2.706 -5.429 -4.068 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.794 -6.937 -4.313 1.00 0.00 C ATOM 1815 CG2 ILE A 118 4.051 -4.733 -4.288 1.00 0.00 C ATOM 1816 CD1 ILE A 118 3.066 -7.237 -5.788 1.00 0.00 C ATOM 0 H ILE A 118 3.040 -3.238 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 118 1.112 -5.442 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 118 2.010 -5.023 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.587 -7.363 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.863 -7.414 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.419 -4.961 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.924 -3.655 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.769 -5.087 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.124 -8.315 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.258 -6.830 -6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.010 -6.779 -6.084 1.00 0.00 H new ATOM 1828 N ALA A 119 2.250 -7.078 -1.253 1.00 0.00 N ATOM 1829 CA ALA A 119 2.788 -7.942 -0.215 1.00 0.00 C ATOM 1830 C ALA A 119 4.138 -8.500 -0.671 1.00 0.00 C ATOM 1831 O ALA A 119 5.109 -8.480 0.084 1.00 0.00 O ATOM 1832 CB ALA A 119 1.778 -9.046 0.104 1.00 0.00 C ATOM 0 H ALA A 119 1.406 -7.429 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 119 2.957 -7.380 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.181 -9.694 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.847 -8.598 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.586 -9.634 -0.794 1.00 0.00 H new ATOM 1838 N ASP A 120 4.156 -8.985 -1.904 1.00 0.00 N ATOM 1839 CA ASP A 120 5.370 -9.548 -2.469 1.00 0.00 C ATOM 1840 C ASP A 120 6.554 -8.641 -2.127 1.00 0.00 C ATOM 1841 O ASP A 120 7.409 -9.007 -1.322 1.00 0.00 O ATOM 1842 CB ASP A 120 5.274 -9.646 -3.993 1.00 0.00 C ATOM 1843 CG ASP A 120 5.308 -11.069 -4.553 1.00 0.00 C ATOM 1844 OD1 ASP A 120 4.281 -11.765 -4.395 1.00 0.00 O ATOM 1845 OD2 ASP A 120 6.359 -11.429 -5.126 1.00 0.00 O ATOM 0 H ASP A 120 3.349 -9.000 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 120 5.506 -10.546 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.349 -9.167 -4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.096 -9.080 -4.431 1.00 0.00 H new ATOM 1850 N GLU A 121 6.566 -7.475 -2.756 1.00 0.00 N ATOM 1851 CA GLU A 121 7.631 -6.513 -2.529 1.00 0.00 C ATOM 1852 C GLU A 121 7.873 -6.333 -1.028 1.00 0.00 C ATOM 1853 O GLU A 121 8.986 -6.021 -0.608 1.00 0.00 O ATOM 1854 CB GLU A 121 7.313 -5.174 -3.197 1.00 0.00 C ATOM 1855 CG GLU A 121 7.229 -5.326 -4.717 1.00 0.00 C ATOM 1856 CD GLU A 121 8.620 -5.272 -5.351 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.242 -6.353 -5.449 1.00 0.00 O ATOM 1858 OE2 GLU A 121 9.031 -4.152 -5.725 1.00 0.00 O ATOM 0 H GLU A 121 5.855 -7.175 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 121 8.545 -6.899 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.369 -4.788 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.082 -4.445 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.749 -6.272 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.606 -4.534 -5.131 1.00 0.00 H new ATOM 1865 N LEU A 122 6.812 -6.539 -0.262 1.00 0.00 N ATOM 1866 CA LEU A 122 6.895 -6.404 1.182 1.00 0.00 C ATOM 1867 C LEU A 122 7.821 -7.486 1.739 1.00 0.00 C ATOM 1868 O LEU A 122 8.913 -7.187 2.220 1.00 0.00 O ATOM 1869 CB LEU A 122 5.496 -6.413 1.802 1.00 0.00 C ATOM 1870 CG LEU A 122 5.198 -5.294 2.802 1.00 0.00 C ATOM 1871 CD1 LEU A 122 3.703 -5.225 3.120 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.046 -5.448 4.067 1.00 0.00 C ATOM 0 H LEU A 122 5.891 -6.798 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 122 7.331 -5.442 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.763 -6.358 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.348 -7.370 2.303 1.00 0.00 H new ATOM 0 HG LEU A 122 5.474 -4.345 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.519 -4.421 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.145 -5.032 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.378 -6.173 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.814 -4.640 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.825 -6.406 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.103 -5.408 3.804 1.00 0.00 H new ATOM 1884 N LYS A 123 7.351 -8.722 1.656 1.00 0.00 N ATOM 1885 CA LYS A 123 8.124 -9.851 2.146 1.00 0.00 C ATOM 1886 C LYS A 123 9.596 -9.655 1.776 1.00 0.00 C ATOM 1887 O LYS A 123 10.479 -9.822 2.616 1.00 0.00 O ATOM 1888 CB LYS A 123 7.532 -11.167 1.638 1.00 0.00 C ATOM 1889 CG LYS A 123 6.084 -11.332 2.104 1.00 0.00 C ATOM 1890 CD LYS A 123 5.908 -12.626 2.901 1.00 0.00 C ATOM 1891 CE LYS A 123 5.570 -13.798 1.977 1.00 0.00 C ATOM 1892 NZ LYS A 123 6.617 -14.840 2.058 1.00 0.00 N ATOM 0 H LYS A 123 6.445 -8.967 1.257 1.00 0.00 H new ATOM 0 HA LYS A 123 8.073 -9.904 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 123 7.573 -11.192 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 123 8.131 -12.003 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 123 5.797 -10.480 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 123 5.419 -11.339 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.823 -12.845 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.115 -12.499 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.605 -14.221 2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 123 5.479 -13.445 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.372 -15.628 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.531 -14.436 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.684 -15.189 3.035 1.00 0.00 H new ATOM 1906 N PHE A 124 9.814 -9.304 0.517 1.00 0.00 N ATOM 1907 CA PHE A 124 11.163 -9.084 0.025 1.00 0.00 C ATOM 1908 C PHE A 124 11.938 -8.144 0.950 1.00 0.00 C ATOM 1909 O PHE A 124 12.985 -8.513 1.481 1.00 0.00 O ATOM 1910 CB PHE A 124 11.036 -8.433 -1.354 1.00 0.00 C ATOM 1911 CG PHE A 124 12.367 -7.965 -1.946 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.914 -6.787 -1.543 1.00 0.00 C ATOM 1913 CD2 PHE A 124 13.002 -8.727 -2.876 1.00 0.00 C ATOM 1914 CE1 PHE A 124 14.149 -6.353 -2.093 1.00 0.00 C ATOM 1915 CE2 PHE A 124 14.238 -8.292 -3.426 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.785 -7.115 -3.023 1.00 0.00 C ATOM 0 H PHE A 124 9.079 -9.167 -0.177 1.00 0.00 H new ATOM 0 HA PHE A 124 11.701 -10.031 -0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.575 -9.145 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.362 -7.579 -1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.409 -6.182 -0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.567 -9.662 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.584 -5.418 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.743 -8.897 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.724 -6.785 -3.441 1.00 0.00 H new ATOM 1926 N VAL A 125 11.394 -6.947 1.116 1.00 0.00 N ATOM 1927 CA VAL A 125 12.021 -5.951 1.968 1.00 0.00 C ATOM 1928 C VAL A 125 11.937 -6.409 3.426 1.00 0.00 C ATOM 1929 O VAL A 125 12.792 -6.060 4.239 1.00 0.00 O ATOM 1930 CB VAL A 125 11.379 -4.583 1.733 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.123 -4.412 2.589 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.380 -3.455 1.996 1.00 0.00 C ATOM 0 H VAL A 125 10.526 -6.645 0.675 1.00 0.00 H new ATOM 0 HA VAL A 125 13.077 -5.846 1.720 1.00 0.00 H new ATOM 0 HB VAL A 125 11.080 -4.529 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.686 -3.431 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.400 -5.186 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 125 10.387 -4.497 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 125 11.898 -2.493 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 125 12.723 -3.507 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.232 -3.561 1.325 1.00 0.00 H new ATOM 1942 N ALA A 126 10.900 -7.182 3.711 1.00 0.00 N ATOM 1943 CA ALA A 126 10.694 -7.690 5.057 1.00 0.00 C ATOM 1944 C ALA A 126 11.991 -8.323 5.563 1.00 0.00 C ATOM 1945 O ALA A 126 12.319 -8.217 6.744 1.00 0.00 O ATOM 1946 CB ALA A 126 9.525 -8.677 5.056 1.00 0.00 C ATOM 0 H ALA A 126 10.194 -7.469 3.034 1.00 0.00 H new ATOM 0 HA ALA A 126 10.436 -6.879 5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.370 -9.058 6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.621 -8.170 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.750 -9.506 4.385 1.00 0.00 H new ATOM 1952 N SER A 127 12.695 -8.968 4.644 1.00 0.00 N ATOM 1953 CA SER A 127 13.950 -9.618 4.982 1.00 0.00 C ATOM 1954 C SER A 127 15.080 -8.587 5.021 1.00 0.00 C ATOM 1955 O SER A 127 16.098 -8.801 5.677 1.00 0.00 O ATOM 1956 CB SER A 127 14.280 -10.730 3.985 1.00 0.00 C ATOM 1957 OG SER A 127 14.750 -11.908 4.635 1.00 0.00 O ATOM 0 H SER A 127 12.420 -9.054 3.666 1.00 0.00 H new ATOM 0 HA SER A 127 13.846 -10.070 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 127 13.391 -10.968 3.401 1.00 0.00 H new ATOM 0 HB3 SER A 127 15.036 -10.376 3.285 1.00 0.00 H new ATOM 0 HG SER A 127 14.948 -12.595 3.964 1.00 0.00 H new