USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 631 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 73 LYS NZ :NH3+ -163:sc= 0.226 (180deg=0) USER MOD Set 1.2: A 116 ASN : amide:sc= 0.46 K(o=0.69,f=-4.1!) USER MOD Set 2.1: A 45 CYS SG : rot 77:sc= -1.7! USER MOD Set 2.2: A 67 GLN : amide:sc= -0.61 K(o=-2.3,f=-3.7) USER MOD Set 3.1: A 18 CYS SG : rot 20:sc= 0.316 USER MOD Set 3.2: A 36 TYR OH : rot -132:sc= 0.334 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 42 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.2) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -122:sc= -0.27 (180deg=-4.96!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -15:sc= 0.292 USER MOD Single : A 75 SER OG : rot 180:sc= -0.29 USER MOD Single : A 88 CYS SG : rot 65:sc= 0.0309 USER MOD Single : A 92 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.03) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.16) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 152:sc= -0.834 (180deg=-1.68) USER MOD Single : A 117 GLN : amide:sc=-0.00235 X(o=-0.0024,f=0) USER MOD Single : A 119 SER OG : rot -94:sc= -0.153 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 2.225 2.598 -5.855 1.00 0.00 N ATOM 202 CA ARG A 16 2.245 3.879 -5.170 1.00 0.00 C ATOM 203 C ARG A 16 1.028 4.715 -5.571 1.00 0.00 C ATOM 204 O ARG A 16 0.586 4.662 -6.718 1.00 0.00 O ATOM 205 CB ARG A 16 3.521 4.658 -5.497 1.00 0.00 C ATOM 206 CG ARG A 16 3.383 6.129 -5.097 1.00 0.00 C ATOM 207 CD ARG A 16 4.755 6.770 -4.883 1.00 0.00 C ATOM 208 NE ARG A 16 4.989 7.818 -5.901 1.00 0.00 N ATOM 209 CZ ARG A 16 6.152 8.462 -6.063 1.00 0.00 C ATOM 210 NH1 ARG A 16 7.195 8.170 -5.274 1.00 0.00 N ATOM 211 NH2 ARG A 16 6.273 9.399 -7.014 1.00 0.00 N ATOM 0 HA ARG A 16 2.217 3.682 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.367 4.213 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.732 4.586 -6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.841 6.671 -5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.795 6.207 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.811 7.203 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.534 6.010 -4.946 1.00 0.00 H new ATOM 0 HE ARG A 16 4.216 8.066 -6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.103 7.457 -4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.081 8.660 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.479 9.622 -7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.159 9.889 -7.137 1.00 0.00 H new ATOM 225 N ILE A 17 0.521 5.466 -4.605 1.00 0.00 N ATOM 226 CA ILE A 17 -0.636 6.311 -4.843 1.00 0.00 C ATOM 227 C ILE A 17 -0.208 7.780 -4.796 1.00 0.00 C ATOM 228 O ILE A 17 0.675 8.148 -4.022 1.00 0.00 O ATOM 229 CB ILE A 17 -1.761 5.967 -3.865 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.126 6.347 -4.444 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.518 6.613 -2.500 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.226 5.433 -3.900 1.00 0.00 C ATOM 0 H ILE A 17 0.891 5.507 -3.655 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.043 6.129 -5.838 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.764 4.887 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.354 7.384 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.096 6.278 -5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.332 6.352 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.575 6.251 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.473 7.696 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.186 5.724 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.007 4.400 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.270 5.523 -2.815 1.00 0.00 H new ATOM 244 N CYS A 18 -0.853 8.578 -5.633 1.00 0.00 N ATOM 245 CA CYS A 18 -0.550 9.998 -5.697 1.00 0.00 C ATOM 246 C CYS A 18 -1.856 10.757 -5.940 1.00 0.00 C ATOM 247 O CYS A 18 -2.792 10.217 -6.528 1.00 0.00 O ATOM 248 CB CYS A 18 0.497 10.305 -6.768 1.00 0.00 C ATOM 249 SG CYS A 18 -0.124 9.800 -8.414 1.00 0.00 S ATOM 0 H CYS A 18 -1.585 8.269 -6.273 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.113 10.322 -4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.727 11.370 -6.768 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.425 9.779 -6.543 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.420 9.702 -8.377 1.00 0.00 H new ATOM 255 N GLY A 19 -1.877 11.998 -5.477 1.00 0.00 N ATOM 256 CA GLY A 19 -3.052 12.837 -5.637 1.00 0.00 C ATOM 257 C GLY A 19 -3.025 14.012 -4.657 1.00 0.00 C ATOM 258 O GLY A 19 -2.270 13.998 -3.686 1.00 0.00 O ATOM 0 H GLY A 19 -1.099 12.443 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.099 13.213 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.952 12.244 -5.474 1.00 0.00 H new ATOM 262 N PHE A 20 -3.859 15.001 -4.945 1.00 0.00 N ATOM 263 CA PHE A 20 -3.940 16.181 -4.101 1.00 0.00 C ATOM 264 C PHE A 20 -4.900 15.953 -2.931 1.00 0.00 C ATOM 265 O PHE A 20 -6.075 15.653 -3.137 1.00 0.00 O ATOM 266 CB PHE A 20 -4.478 17.317 -4.972 1.00 0.00 C ATOM 267 CG PHE A 20 -3.499 17.795 -6.046 1.00 0.00 C ATOM 268 CD1 PHE A 20 -3.454 17.170 -7.253 1.00 0.00 C ATOM 269 CD2 PHE A 20 -2.673 18.846 -5.794 1.00 0.00 C ATOM 270 CE1 PHE A 20 -2.545 17.613 -8.249 1.00 0.00 C ATOM 271 CE2 PHE A 20 -1.764 19.290 -6.791 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.719 18.664 -7.997 1.00 0.00 C ATOM 0 H PHE A 20 -4.484 15.009 -5.751 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.957 16.413 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.398 16.987 -5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.739 18.160 -4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.110 16.336 -7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.708 19.343 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.509 17.116 -9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.109 20.125 -6.591 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.027 19.001 -8.755 1.00 0.00 H new ATOM 282 N LEU A 21 -4.363 16.104 -1.729 1.00 0.00 N ATOM 283 CA LEU A 21 -5.156 15.918 -0.526 1.00 0.00 C ATOM 284 C LEU A 21 -5.292 17.257 0.201 1.00 0.00 C ATOM 285 O LEU A 21 -4.662 18.242 -0.180 1.00 0.00 O ATOM 286 CB LEU A 21 -4.564 14.805 0.340 1.00 0.00 C ATOM 287 CG LEU A 21 -4.750 13.378 -0.181 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.063 12.365 0.736 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.232 13.057 -0.382 1.00 0.00 C ATOM 0 H LEU A 21 -3.388 16.353 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.163 15.589 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.496 14.992 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.009 14.869 1.333 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.270 13.305 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.211 11.359 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.996 12.583 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.492 12.430 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.336 12.037 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.757 13.153 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.660 13.751 -1.105 1.00 0.00 H new ATOM 301 N ASP A 22 -6.119 17.250 1.236 1.00 0.00 N ATOM 302 CA ASP A 22 -6.346 18.452 2.021 1.00 0.00 C ATOM 303 C ASP A 22 -6.158 18.130 3.505 1.00 0.00 C ATOM 304 O ASP A 22 -7.095 17.695 4.173 1.00 0.00 O ATOM 305 CB ASP A 22 -7.771 18.975 1.828 1.00 0.00 C ATOM 306 CG ASP A 22 -7.870 20.353 1.168 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.820 20.826 0.683 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.993 20.900 1.165 1.00 0.00 O ATOM 0 H ASP A 22 -6.640 16.431 1.549 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.636 19.210 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.326 18.258 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.261 19.018 2.801 1.00 0.00 H new ATOM 313 N ILE A 23 -4.941 18.357 3.977 1.00 0.00 N ATOM 314 CA ILE A 23 -4.618 18.097 5.370 1.00 0.00 C ATOM 315 C ILE A 23 -4.932 19.341 6.203 1.00 0.00 C ATOM 316 O ILE A 23 -4.552 20.452 5.833 1.00 0.00 O ATOM 317 CB ILE A 23 -3.172 17.615 5.504 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.850 17.242 6.952 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.195 18.654 4.949 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.698 16.238 7.016 1.00 0.00 C ATOM 0 H ILE A 23 -4.167 18.718 3.420 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.236 17.288 5.760 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.056 16.711 4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.587 18.139 7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.734 16.817 7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.174 18.287 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.409 18.828 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.305 19.588 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.489 15.990 8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.974 15.333 6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.809 16.675 6.562 1.00 0.00 H new ATOM 332 N GLU A 24 -5.621 19.114 7.311 1.00 0.00 N ATOM 333 CA GLU A 24 -5.990 20.203 8.200 1.00 0.00 C ATOM 334 C GLU A 24 -4.767 20.689 8.980 1.00 0.00 C ATOM 335 O GLU A 24 -3.987 19.882 9.485 1.00 0.00 O ATOM 336 CB GLU A 24 -7.113 19.781 9.148 1.00 0.00 C ATOM 337 CG GLU A 24 -7.707 20.993 9.869 1.00 0.00 C ATOM 338 CD GLU A 24 -7.708 20.783 11.385 1.00 0.00 C ATOM 339 OE1 GLU A 24 -8.642 20.104 11.863 1.00 0.00 O ATOM 340 OE2 GLU A 24 -6.774 21.305 12.031 1.00 0.00 O ATOM 0 H GLU A 24 -5.934 18.192 7.614 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.362 21.029 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.894 19.269 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.728 19.071 9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.132 21.885 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.726 21.164 9.521 1.00 0.00 H new ATOM 442 N PHE A 32 -7.729 23.486 5.282 1.00 0.00 N ATOM 443 CA PHE A 32 -6.838 22.398 4.917 1.00 0.00 C ATOM 444 C PHE A 32 -5.716 22.892 4.001 1.00 0.00 C ATOM 445 O PHE A 32 -5.850 23.930 3.354 1.00 0.00 O ATOM 446 CB PHE A 32 -7.678 21.365 4.162 1.00 0.00 C ATOM 447 CG PHE A 32 -8.889 20.856 4.946 1.00 0.00 C ATOM 448 CD1 PHE A 32 -10.051 21.563 4.937 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.804 19.697 5.652 1.00 0.00 C ATOM 450 CE1 PHE A 32 -11.175 21.091 5.665 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.929 19.224 6.379 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.090 19.931 6.370 1.00 0.00 C ATOM 0 HA PHE A 32 -6.381 21.976 5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.023 21.806 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.045 20.517 3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.119 22.483 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.881 19.136 5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.097 21.653 5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.862 18.303 6.939 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.945 19.571 6.923 1.00 0.00 H new ATOM 462 N LEU A 33 -4.635 22.127 3.976 1.00 0.00 N ATOM 463 CA LEU A 33 -3.491 22.474 3.151 1.00 0.00 C ATOM 464 C LEU A 33 -3.495 21.607 1.890 1.00 0.00 C ATOM 465 O LEU A 33 -3.314 20.392 1.967 1.00 0.00 O ATOM 466 CB LEU A 33 -2.196 22.375 3.960 1.00 0.00 C ATOM 467 CG LEU A 33 -2.043 23.379 5.105 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.572 23.738 5.326 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.906 24.619 4.866 1.00 0.00 C ATOM 0 H LEU A 33 -4.527 21.267 4.514 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.558 23.512 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.125 21.369 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.355 22.500 3.279 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.401 22.910 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.491 24.453 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.011 22.837 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.165 24.180 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.779 25.316 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.602 25.100 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.953 24.325 4.797 1.00 0.00 H new ATOM 481 N ARG A 34 -3.704 22.264 0.759 1.00 0.00 N ATOM 482 CA ARG A 34 -3.734 21.569 -0.517 1.00 0.00 C ATOM 483 C ARG A 34 -2.324 21.124 -0.912 1.00 0.00 C ATOM 484 O ARG A 34 -1.523 21.932 -1.379 1.00 0.00 O ATOM 485 CB ARG A 34 -4.307 22.463 -1.618 1.00 0.00 C ATOM 486 CG ARG A 34 -4.365 21.718 -2.953 1.00 0.00 C ATOM 487 CD ARG A 34 -3.645 22.504 -4.051 1.00 0.00 C ATOM 488 NE ARG A 34 -3.772 21.798 -5.345 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.908 21.725 -6.053 1.00 0.00 C ATOM 490 NH1 ARG A 34 -6.021 22.313 -5.595 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.930 21.063 -7.217 1.00 0.00 N ATOM 0 H ARG A 34 -3.854 23.271 0.699 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.376 20.695 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.307 22.795 -1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.692 23.357 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.907 20.735 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.404 21.556 -3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.069 23.505 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.592 22.623 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.943 21.338 -5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.004 22.816 -4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.886 22.258 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.082 20.614 -7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.794 21.007 -7.756 1.00 0.00 H new ATOM 505 N ARG A 35 -2.065 19.840 -0.712 1.00 0.00 N ATOM 506 CA ARG A 35 -0.766 19.279 -1.042 1.00 0.00 C ATOM 507 C ARG A 35 -0.935 17.969 -1.814 1.00 0.00 C ATOM 508 O ARG A 35 -1.980 17.325 -1.730 1.00 0.00 O ATOM 509 CB ARG A 35 0.057 19.017 0.221 1.00 0.00 C ATOM 510 CG ARG A 35 0.185 20.286 1.065 1.00 0.00 C ATOM 511 CD ARG A 35 1.033 21.338 0.349 1.00 0.00 C ATOM 512 NE ARG A 35 1.259 22.499 1.239 1.00 0.00 N ATOM 513 CZ ARG A 35 0.408 23.526 1.364 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.730 23.544 0.656 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.695 24.536 2.196 1.00 0.00 N ATOM 0 H ARG A 35 -2.732 19.172 -0.326 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.238 20.004 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.415 18.230 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.048 18.658 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.806 20.691 1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.636 20.043 2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.989 20.906 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.532 21.661 -0.563 1.00 0.00 H new ATOM 0 HE ARG A 35 2.116 22.518 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.948 22.776 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.378 24.326 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.561 24.523 2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.047 25.318 2.291 1.00 0.00 H new ATOM 529 N TYR A 36 0.109 17.612 -2.547 1.00 0.00 N ATOM 530 CA TYR A 36 0.089 16.390 -3.333 1.00 0.00 C ATOM 531 C TYR A 36 0.752 15.239 -2.574 1.00 0.00 C ATOM 532 O TYR A 36 1.971 15.085 -2.614 1.00 0.00 O ATOM 533 CB TYR A 36 0.902 16.688 -4.595 1.00 0.00 C ATOM 534 CG TYR A 36 0.596 15.753 -5.767 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.535 15.952 -6.532 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.451 14.710 -6.059 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.823 15.072 -7.635 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.163 13.829 -7.162 1.00 0.00 C ATOM 539 CZ TYR A 36 0.040 14.054 -7.895 1.00 0.00 C ATOM 540 OH TYR A 36 -0.232 13.223 -8.937 1.00 0.00 O ATOM 0 H TYR A 36 0.975 18.148 -2.613 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.936 16.093 -3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.711 17.716 -4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.963 16.619 -4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.205 16.768 -6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.336 14.554 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.704 15.217 -8.242 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.824 13.009 -7.401 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.147 12.292 -8.644 1.00 0.00 H new ATOM 550 N PHE A 37 -0.081 14.460 -1.900 1.00 0.00 N ATOM 551 CA PHE A 37 0.408 13.328 -1.133 1.00 0.00 C ATOM 552 C PHE A 37 0.804 12.172 -2.053 1.00 0.00 C ATOM 553 O PHE A 37 0.174 11.953 -3.087 1.00 0.00 O ATOM 554 CB PHE A 37 -0.737 12.873 -0.226 1.00 0.00 C ATOM 555 CG PHE A 37 -0.914 13.728 1.030 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.072 15.074 0.920 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.912 13.142 2.258 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.235 15.868 2.086 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.076 13.936 3.424 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.234 15.282 3.313 1.00 0.00 C ATOM 0 H PHE A 37 -1.092 14.591 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 37 1.289 13.620 -0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.666 12.887 -0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.562 11.839 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.074 15.539 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.786 12.073 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.360 16.937 1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.075 13.471 4.399 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.359 15.886 4.200 1.00 0.00 H new ATOM 570 N ILE A 38 1.846 11.462 -1.645 1.00 0.00 N ATOM 571 CA ILE A 38 2.333 10.334 -2.420 1.00 0.00 C ATOM 572 C ILE A 38 2.702 9.191 -1.472 1.00 0.00 C ATOM 573 O ILE A 38 3.676 9.287 -0.728 1.00 0.00 O ATOM 574 CB ILE A 38 3.480 10.768 -3.335 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.950 11.518 -4.559 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.351 9.573 -3.728 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.033 12.416 -5.162 1.00 0.00 C ATOM 0 H ILE A 38 2.366 11.646 -0.787 1.00 0.00 H new ATOM 0 HA ILE A 38 1.551 9.961 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 38 4.115 11.460 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.606 10.804 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.088 12.122 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.158 9.910 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.773 9.119 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.743 8.838 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.631 12.938 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.357 13.144 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.883 11.806 -5.467 1.00 0.00 H new ATOM 589 N LEU A 39 1.903 8.135 -1.531 1.00 0.00 N ATOM 590 CA LEU A 39 2.133 6.975 -0.687 1.00 0.00 C ATOM 591 C LEU A 39 3.319 6.178 -1.235 1.00 0.00 C ATOM 592 O LEU A 39 3.171 5.414 -2.187 1.00 0.00 O ATOM 593 CB LEU A 39 0.852 6.151 -0.547 1.00 0.00 C ATOM 594 CG LEU A 39 0.778 5.227 0.669 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.852 6.027 1.971 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.469 4.342 0.611 1.00 0.00 C ATOM 0 H LEU A 39 1.096 8.059 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 39 2.396 7.286 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.005 6.836 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.733 5.546 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 39 1.644 4.565 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.797 5.346 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.792 6.577 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.019 6.729 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.497 3.695 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.360 4.970 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.439 3.730 -0.291 1.00 0.00 H new ATOM 608 N ASP A 40 4.469 6.385 -0.610 1.00 0.00 N ATOM 609 CA ASP A 40 5.680 5.696 -1.023 1.00 0.00 C ATOM 610 C ASP A 40 5.988 4.575 -0.029 1.00 0.00 C ATOM 611 O ASP A 40 6.342 4.838 1.119 1.00 0.00 O ATOM 612 CB ASP A 40 6.876 6.650 -1.045 1.00 0.00 C ATOM 613 CG ASP A 40 6.518 8.134 -1.136 1.00 0.00 C ATOM 614 OD1 ASP A 40 5.940 8.640 -0.151 1.00 0.00 O ATOM 615 OD2 ASP A 40 6.831 8.730 -2.190 1.00 0.00 O ATOM 0 H ASP A 40 4.588 7.020 0.179 1.00 0.00 H new ATOM 0 HA ASP A 40 5.517 5.299 -2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.467 6.489 -0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.511 6.392 -1.892 1.00 0.00 H new ATOM 620 N THR A 41 5.842 3.347 -0.507 1.00 0.00 N ATOM 621 CA THR A 41 6.099 2.185 0.326 1.00 0.00 C ATOM 622 C THR A 41 7.605 1.984 0.510 1.00 0.00 C ATOM 623 O THR A 41 8.065 1.682 1.610 1.00 0.00 O ATOM 624 CB THR A 41 5.399 0.983 -0.311 1.00 0.00 C ATOM 625 OG1 THR A 41 6.229 0.645 -1.419 1.00 0.00 O ATOM 626 CG2 THR A 41 4.059 1.355 -0.949 1.00 0.00 C ATOM 0 H THR A 41 5.549 3.132 -1.460 1.00 0.00 H new ATOM 0 HA THR A 41 5.696 2.320 1.330 1.00 0.00 H new ATOM 0 HB THR A 41 5.240 0.214 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.850 -0.127 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.605 0.466 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.395 1.765 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.221 2.100 -1.728 1.00 0.00 H new ATOM 634 N GLN A 42 8.331 2.159 -0.585 1.00 0.00 N ATOM 635 CA GLN A 42 9.775 2.001 -0.558 1.00 0.00 C ATOM 636 C GLN A 42 10.388 2.900 0.518 1.00 0.00 C ATOM 637 O GLN A 42 11.325 2.499 1.207 1.00 0.00 O ATOM 638 CB GLN A 42 10.384 2.294 -1.930 1.00 0.00 C ATOM 639 CG GLN A 42 9.784 1.383 -3.003 1.00 0.00 C ATOM 640 CD GLN A 42 10.820 1.043 -4.076 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.901 1.607 -4.133 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.432 0.093 -4.922 1.00 0.00 N ATOM 0 H GLN A 42 7.946 2.409 -1.496 1.00 0.00 H new ATOM 0 HA GLN A 42 10.003 0.964 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.209 3.337 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.464 2.152 -1.890 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.418 0.465 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.926 1.873 -3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.514 -0.338 -4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.053 -0.204 -5.675 1.00 0.00 H new ATOM 651 N ALA A 43 9.834 4.098 0.628 1.00 0.00 N ATOM 652 CA ALA A 43 10.314 5.058 1.608 1.00 0.00 C ATOM 653 C ALA A 43 9.625 4.798 2.949 1.00 0.00 C ATOM 654 O ALA A 43 10.160 5.142 4.002 1.00 0.00 O ATOM 655 CB ALA A 43 10.072 6.478 1.093 1.00 0.00 C ATOM 0 H ALA A 43 9.057 4.426 0.055 1.00 0.00 H new ATOM 0 HA ALA A 43 11.387 4.946 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.432 7.198 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.606 6.620 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.005 6.629 0.930 1.00 0.00 H new ATOM 661 N ASN A 44 8.449 4.194 2.867 1.00 0.00 N ATOM 662 CA ASN A 44 7.681 3.884 4.061 1.00 0.00 C ATOM 663 C ASN A 44 7.357 5.182 4.804 1.00 0.00 C ATOM 664 O ASN A 44 7.256 5.191 6.030 1.00 0.00 O ATOM 665 CB ASN A 44 8.476 2.983 5.009 1.00 0.00 C ATOM 666 CG ASN A 44 7.593 2.469 6.147 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.521 1.924 5.938 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.100 2.672 7.359 1.00 0.00 N ATOM 0 H ASN A 44 8.009 3.911 1.992 1.00 0.00 H new ATOM 0 HA ASN A 44 6.771 3.369 3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.888 2.140 4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.320 3.537 5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.586 2.365 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.003 3.135 7.463 1.00 0.00 H new ATOM 675 N CYS A 45 7.201 6.246 4.030 1.00 0.00 N ATOM 676 CA CYS A 45 6.890 7.546 4.600 1.00 0.00 C ATOM 677 C CYS A 45 6.033 8.318 3.594 1.00 0.00 C ATOM 678 O CYS A 45 6.277 8.257 2.390 1.00 0.00 O ATOM 679 CB CYS A 45 8.156 8.315 4.980 1.00 0.00 C ATOM 680 SG CYS A 45 9.351 7.192 5.791 1.00 0.00 S ATOM 0 H CYS A 45 7.284 6.235 3.013 1.00 0.00 H new ATOM 0 HA CYS A 45 6.332 7.416 5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.605 8.755 4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.905 9.137 5.650 1.00 0.00 H new ATOM 0 HG CYS A 45 9.929 6.451 4.893 1.00 0.00 H new ATOM 686 N LEU A 46 5.048 9.027 4.125 1.00 0.00 N ATOM 687 CA LEU A 46 4.154 9.810 3.289 1.00 0.00 C ATOM 688 C LEU A 46 4.766 11.191 3.050 1.00 0.00 C ATOM 689 O LEU A 46 5.105 11.896 3.999 1.00 0.00 O ATOM 690 CB LEU A 46 2.752 9.855 3.900 1.00 0.00 C ATOM 691 CG LEU A 46 1.631 10.331 2.973 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.049 11.588 2.207 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.184 9.209 2.033 1.00 0.00 C ATOM 0 H LEU A 46 4.849 9.076 5.124 1.00 0.00 H new ATOM 0 HA LEU A 46 4.036 9.340 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.501 8.857 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.778 10.509 4.772 1.00 0.00 H new ATOM 0 HG LEU A 46 0.771 10.599 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.234 11.905 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.280 12.385 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.931 11.371 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.387 9.573 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.028 8.887 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.818 8.367 2.620 1.00 0.00 H new ATOM 705 N LEU A 47 4.888 11.537 1.777 1.00 0.00 N ATOM 706 CA LEU A 47 5.453 12.822 1.401 1.00 0.00 C ATOM 707 C LEU A 47 4.444 13.586 0.541 1.00 0.00 C ATOM 708 O LEU A 47 3.985 13.078 -0.481 1.00 0.00 O ATOM 709 CB LEU A 47 6.815 12.632 0.730 1.00 0.00 C ATOM 710 CG LEU A 47 7.713 11.549 1.330 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.366 10.708 0.231 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.749 12.157 2.277 1.00 0.00 C ATOM 0 H LEU A 47 4.605 10.950 0.993 1.00 0.00 H new ATOM 0 HA LEU A 47 5.642 13.429 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.650 12.398 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.351 13.581 0.765 1.00 0.00 H new ATOM 0 HG LEU A 47 7.090 10.879 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.999 9.945 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.592 10.228 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.972 11.351 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.374 11.365 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.373 12.863 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.239 12.677 3.088 1.00 0.00 H new ATOM 724 N TRP A 48 4.130 14.793 0.986 1.00 0.00 N ATOM 725 CA TRP A 48 3.184 15.632 0.269 1.00 0.00 C ATOM 726 C TRP A 48 3.917 16.900 -0.172 1.00 0.00 C ATOM 727 O TRP A 48 4.517 17.592 0.649 1.00 0.00 O ATOM 728 CB TRP A 48 1.950 15.922 1.126 1.00 0.00 C ATOM 729 CG TRP A 48 2.263 16.612 2.455 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.601 17.893 2.660 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.253 16.003 3.763 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.809 18.153 3.999 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.590 16.967 4.692 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.968 14.682 4.150 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.675 16.712 6.066 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.057 14.443 5.527 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.395 15.402 6.474 1.00 0.00 C ATOM 0 H TRP A 48 4.513 15.211 1.834 1.00 0.00 H new ATOM 0 HA TRP A 48 2.809 15.121 -0.618 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.264 16.548 0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.432 14.984 1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.698 18.629 1.876 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.075 19.050 4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.701 13.912 3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.942 17.484 6.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.848 13.443 5.878 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.442 15.138 7.520 1.00 0.00 H new ATOM 748 N TYR A 49 3.844 17.167 -1.468 1.00 0.00 N ATOM 749 CA TYR A 49 4.493 18.340 -2.028 1.00 0.00 C ATOM 750 C TYR A 49 3.462 19.388 -2.452 1.00 0.00 C ATOM 751 O TYR A 49 2.409 19.045 -2.990 1.00 0.00 O ATOM 752 CB TYR A 49 5.248 17.854 -3.266 1.00 0.00 C ATOM 753 CG TYR A 49 6.020 16.550 -3.053 1.00 0.00 C ATOM 754 CD1 TYR A 49 7.247 16.570 -2.422 1.00 0.00 C ATOM 755 CD2 TYR A 49 5.488 15.354 -3.490 1.00 0.00 C ATOM 756 CE1 TYR A 49 7.974 15.343 -2.221 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.215 14.127 -3.289 1.00 0.00 C ATOM 758 CZ TYR A 49 7.422 14.182 -2.664 1.00 0.00 C ATOM 759 OH TYR A 49 8.108 13.023 -2.474 1.00 0.00 O ATOM 0 H TYR A 49 3.345 16.591 -2.146 1.00 0.00 H new ATOM 0 HA TYR A 49 5.151 18.802 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.537 17.714 -4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.946 18.630 -3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.662 17.506 -2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.527 15.338 -3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.936 15.345 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.811 13.184 -3.627 1.00 0.00 H new ATOM 0 HH TYR A 49 7.593 12.274 -2.840 1.00 0.00 H new ATOM 769 N MET A 50 3.800 20.643 -2.195 1.00 0.00 N ATOM 770 CA MET A 50 2.916 21.742 -2.544 1.00 0.00 C ATOM 771 C MET A 50 2.196 21.469 -3.866 1.00 0.00 C ATOM 772 O MET A 50 1.007 21.754 -4.000 1.00 0.00 O ATOM 773 CB MET A 50 3.729 23.033 -2.662 1.00 0.00 C ATOM 774 CG MET A 50 3.700 23.821 -1.351 1.00 0.00 C ATOM 775 SD MET A 50 2.932 25.411 -1.610 1.00 0.00 S ATOM 776 CE MET A 50 1.212 24.948 -1.482 1.00 0.00 C ATOM 0 H MET A 50 4.674 20.923 -1.749 1.00 0.00 H new ATOM 0 HA MET A 50 2.167 21.844 -1.759 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.760 22.795 -2.925 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.328 23.647 -3.468 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.151 23.262 -0.593 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.714 23.955 -0.975 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.693 25.220 -2.401 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.135 23.872 -1.327 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.757 25.469 -0.640 1.00 0.00 H new ATOM 786 N ASP A 51 2.947 20.919 -4.809 1.00 0.00 N ATOM 787 CA ASP A 51 2.396 20.604 -6.116 1.00 0.00 C ATOM 788 C ASP A 51 3.021 19.305 -6.629 1.00 0.00 C ATOM 789 O ASP A 51 4.050 18.863 -6.119 1.00 0.00 O ATOM 790 CB ASP A 51 2.707 21.710 -7.126 1.00 0.00 C ATOM 791 CG ASP A 51 1.499 22.537 -7.571 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.837 23.102 -6.674 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.266 22.586 -8.798 1.00 0.00 O ATOM 0 H ASP A 51 3.933 20.683 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 51 1.316 20.505 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.447 22.381 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.164 21.259 -8.007 1.00 0.00 H new ATOM 936 N VAL A 63 6.689 19.476 1.789 1.00 0.00 N ATOM 937 CA VAL A 63 6.030 20.397 2.700 1.00 0.00 C ATOM 938 C VAL A 63 5.895 19.739 4.074 1.00 0.00 C ATOM 939 O VAL A 63 5.957 20.416 5.099 1.00 0.00 O ATOM 940 CB VAL A 63 4.687 20.840 2.115 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.269 22.202 2.673 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.737 20.865 0.586 1.00 0.00 C ATOM 0 HA VAL A 63 6.627 21.300 2.829 1.00 0.00 H new ATOM 0 HB VAL A 63 3.934 20.111 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.312 22.494 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.174 22.137 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.023 22.946 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.770 21.183 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.508 21.563 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.968 19.867 0.213 1.00 0.00 H new ATOM 952 N GLY A 64 5.714 18.426 4.052 1.00 0.00 N ATOM 953 CA GLY A 64 5.570 17.670 5.284 1.00 0.00 C ATOM 954 C GLY A 64 5.582 16.165 5.007 1.00 0.00 C ATOM 955 O GLY A 64 4.950 15.698 4.061 1.00 0.00 O ATOM 0 H GLY A 64 5.664 17.867 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.380 17.924 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.638 17.945 5.777 1.00 0.00 H new ATOM 959 N SER A 65 6.309 15.447 5.851 1.00 0.00 N ATOM 960 CA SER A 65 6.413 14.004 5.709 1.00 0.00 C ATOM 961 C SER A 65 5.703 13.312 6.874 1.00 0.00 C ATOM 962 O SER A 65 5.486 13.918 7.923 1.00 0.00 O ATOM 963 CB SER A 65 7.876 13.561 5.640 1.00 0.00 C ATOM 964 OG SER A 65 8.641 14.076 6.726 1.00 0.00 O ATOM 0 H SER A 65 6.832 15.837 6.635 1.00 0.00 H new ATOM 0 HA SER A 65 5.931 13.716 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.926 12.472 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.312 13.895 4.699 1.00 0.00 H new ATOM 0 HG SER A 65 9.569 13.770 6.647 1.00 0.00 H new ATOM 970 N LEU A 66 5.361 12.052 6.652 1.00 0.00 N ATOM 971 CA LEU A 66 4.680 11.270 7.671 1.00 0.00 C ATOM 972 C LEU A 66 5.184 9.827 7.622 1.00 0.00 C ATOM 973 O LEU A 66 4.766 9.048 6.765 1.00 0.00 O ATOM 974 CB LEU A 66 3.163 11.398 7.519 1.00 0.00 C ATOM 975 CG LEU A 66 2.431 12.105 8.662 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.930 12.191 8.382 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.726 11.429 10.002 1.00 0.00 C ATOM 0 H LEU A 66 5.542 11.552 5.781 1.00 0.00 H new ATOM 0 HA LEU A 66 4.911 11.654 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.955 11.935 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.743 10.398 7.409 1.00 0.00 H new ATOM 0 HG LEU A 66 2.805 13.127 8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.434 12.698 9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.763 12.751 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.522 11.186 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.194 11.951 10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.397 10.390 9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.798 11.464 10.199 1.00 0.00 H new ATOM 989 N GLN A 67 6.074 9.512 8.551 1.00 0.00 N ATOM 990 CA GLN A 67 6.639 8.176 8.624 1.00 0.00 C ATOM 991 C GLN A 67 5.531 7.141 8.831 1.00 0.00 C ATOM 992 O GLN A 67 4.819 7.181 9.833 1.00 0.00 O ATOM 993 CB GLN A 67 7.689 8.084 9.734 1.00 0.00 C ATOM 994 CG GLN A 67 8.772 9.150 9.554 1.00 0.00 C ATOM 995 CD GLN A 67 9.938 8.611 8.723 1.00 0.00 C ATOM 996 OE1 GLN A 67 10.330 7.460 8.827 1.00 0.00 O ATOM 997 NE2 GLN A 67 10.469 9.505 7.893 1.00 0.00 N ATOM 0 H GLN A 67 6.418 10.160 9.260 1.00 0.00 H new ATOM 0 HA GLN A 67 7.137 7.962 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.209 8.208 10.705 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.144 7.094 9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.347 10.027 9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.135 9.474 10.530 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.093 10.452 7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.252 9.243 7.294 1.00 0.00 H new ATOM 1006 N LEU A 68 5.420 6.240 7.866 1.00 0.00 N ATOM 1007 CA LEU A 68 4.410 5.197 7.930 1.00 0.00 C ATOM 1008 C LEU A 68 4.589 4.398 9.223 1.00 0.00 C ATOM 1009 O LEU A 68 3.650 3.762 9.698 1.00 0.00 O ATOM 1010 CB LEU A 68 4.448 4.336 6.665 1.00 0.00 C ATOM 1011 CG LEU A 68 4.133 5.057 5.353 1.00 0.00 C ATOM 1012 CD1 LEU A 68 3.869 4.056 4.227 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.973 6.039 5.532 1.00 0.00 C ATOM 0 H LEU A 68 6.012 6.210 7.036 1.00 0.00 H new ATOM 0 HA LEU A 68 3.412 5.635 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.439 3.890 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.739 3.517 6.786 1.00 0.00 H new ATOM 0 HG LEU A 68 5.007 5.641 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.648 4.595 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.751 3.433 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.020 3.426 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.769 6.538 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.084 5.497 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.238 6.782 6.284 1.00 0.00 H new ATOM 1025 N THR A 69 5.800 4.458 9.755 1.00 0.00 N ATOM 1026 CA THR A 69 6.114 3.749 10.984 1.00 0.00 C ATOM 1027 C THR A 69 5.189 4.204 12.114 1.00 0.00 C ATOM 1028 O THR A 69 5.046 3.512 13.121 1.00 0.00 O ATOM 1029 CB THR A 69 7.598 3.964 11.289 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.836 3.162 12.442 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.898 5.389 11.758 1.00 0.00 C ATOM 0 H THR A 69 6.576 4.987 9.358 1.00 0.00 H new ATOM 0 HA THR A 69 5.942 2.678 10.877 1.00 0.00 H new ATOM 0 HB THR A 69 8.187 3.743 10.399 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.776 3.241 12.707 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.964 5.488 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.609 6.096 10.981 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.335 5.599 12.667 1.00 0.00 H new ATOM 1039 N TYR A 70 4.585 5.366 11.909 1.00 0.00 N ATOM 1040 CA TYR A 70 3.678 5.922 12.898 1.00 0.00 C ATOM 1041 C TYR A 70 2.253 5.404 12.688 1.00 0.00 C ATOM 1042 O TYR A 70 1.659 4.827 13.598 1.00 0.00 O ATOM 1043 CB TYR A 70 3.694 7.436 12.681 1.00 0.00 C ATOM 1044 CG TYR A 70 5.034 8.097 13.006 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.734 7.719 14.134 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.544 9.072 12.173 1.00 0.00 C ATOM 1047 CE1 TYR A 70 6.996 8.342 14.441 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.806 9.694 12.479 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.470 9.298 13.598 1.00 0.00 C ATOM 1050 OH TYR A 70 8.662 9.886 13.888 1.00 0.00 O ATOM 0 H TYR A 70 4.706 5.937 11.073 1.00 0.00 H new ATOM 0 HA TYR A 70 3.988 5.640 13.904 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.439 7.646 11.642 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.918 7.889 13.298 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.336 6.956 14.786 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.996 9.369 11.291 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.553 8.056 15.321 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.216 10.458 11.835 1.00 0.00 H new ATOM 0 HH TYR A 70 8.876 10.549 13.199 1.00 0.00 H new ATOM 1060 N ILE A 71 1.747 5.628 11.485 1.00 0.00 N ATOM 1061 CA ILE A 71 0.404 5.191 11.144 1.00 0.00 C ATOM 1062 C ILE A 71 0.193 3.763 11.653 1.00 0.00 C ATOM 1063 O ILE A 71 1.091 2.928 11.559 1.00 0.00 O ATOM 1064 CB ILE A 71 0.153 5.353 9.643 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.195 6.827 9.236 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.160 4.682 9.232 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.462 7.138 8.436 1.00 0.00 C ATOM 0 H ILE A 71 2.243 6.107 10.733 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.338 5.819 11.637 1.00 0.00 H new ATOM 0 HB ILE A 71 0.956 4.848 9.106 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.685 7.069 8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.159 7.455 10.126 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.315 4.811 8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.114 3.618 9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.987 5.138 9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.468 8.192 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.339 6.918 9.044 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.483 6.526 7.535 1.00 0.00 H new ATOM 1079 N SER A 72 -1.000 3.528 12.180 1.00 0.00 N ATOM 1080 CA SER A 72 -1.341 2.216 12.703 1.00 0.00 C ATOM 1081 C SER A 72 -2.645 1.723 12.072 1.00 0.00 C ATOM 1082 O SER A 72 -2.757 0.556 11.703 1.00 0.00 O ATOM 1083 CB SER A 72 -1.467 2.247 14.228 1.00 0.00 C ATOM 1084 OG SER A 72 -2.329 3.292 14.670 1.00 0.00 O ATOM 0 H SER A 72 -1.742 4.224 12.256 1.00 0.00 H new ATOM 0 HA SER A 72 -0.537 1.526 12.446 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.849 1.289 14.580 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.480 2.379 14.671 1.00 0.00 H new ATOM 0 HG SER A 72 -2.473 3.928 13.939 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.597 2.639 11.968 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.889 2.312 11.388 1.00 0.00 C ATOM 1092 C LYS A 73 -5.399 3.509 10.584 1.00 0.00 C ATOM 1093 O LYS A 73 -5.187 4.657 10.970 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.859 1.841 12.473 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.304 1.876 11.969 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.725 0.512 11.419 1.00 0.00 C ATOM 1097 CE LYS A 73 -7.545 0.454 9.901 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.254 -0.717 9.339 1.00 0.00 N ATOM 0 H LYS A 73 -3.500 3.607 12.275 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.795 1.478 10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.602 0.827 12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.762 2.476 13.354 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.970 2.166 12.782 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.403 2.633 11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.132 -0.273 11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.767 0.319 11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.927 1.369 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.484 0.396 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.898 -0.911 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.089 -1.546 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.274 -0.518 9.296 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.062 3.200 9.479 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.604 4.236 8.617 1.00 0.00 C ATOM 1114 C VAL A 74 -8.084 3.950 8.352 1.00 0.00 C ATOM 1115 O VAL A 74 -8.420 3.151 7.480 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.776 4.335 7.334 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.281 5.471 6.442 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.290 4.508 7.653 1.00 0.00 C ATOM 0 H VAL A 74 -6.236 2.247 9.161 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.543 5.209 9.104 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.895 3.400 6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.675 5.520 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.321 5.288 6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.207 6.416 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.724 4.576 6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.146 5.420 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.940 3.652 8.230 1.00 0.00 H new ATOM 1128 N SER A 75 -8.930 4.620 9.122 1.00 0.00 N ATOM 1129 CA SER A 75 -10.366 4.448 8.982 1.00 0.00 C ATOM 1130 C SER A 75 -10.990 5.717 8.399 1.00 0.00 C ATOM 1131 O SER A 75 -10.379 6.784 8.429 1.00 0.00 O ATOM 1132 CB SER A 75 -11.013 4.108 10.326 1.00 0.00 C ATOM 1133 OG SER A 75 -12.404 4.420 10.343 1.00 0.00 O ATOM 0 H SER A 75 -8.648 5.283 9.844 1.00 0.00 H new ATOM 0 HA SER A 75 -10.546 3.616 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.877 3.047 10.536 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.508 4.658 11.121 1.00 0.00 H new ATOM 0 HG SER A 75 -12.781 4.187 11.217 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.199 5.559 7.881 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.913 6.679 7.291 1.00 0.00 C ATOM 1141 C ILE A 76 -13.415 7.601 8.404 1.00 0.00 C ATOM 1142 O ILE A 76 -13.998 7.138 9.383 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.020 6.179 6.361 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.436 5.382 5.193 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.899 7.336 5.883 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.789 6.311 4.164 1.00 0.00 C ATOM 0 H ILE A 76 -12.703 4.672 7.857 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.245 7.269 6.664 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.660 5.501 6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.695 4.674 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.224 4.798 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.678 6.953 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.359 7.823 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.288 8.058 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.382 5.719 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.538 7.002 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.986 6.875 4.638 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.170 8.890 8.216 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.589 9.881 9.192 1.00 0.00 C ATOM 1160 C ALA A 77 -15.109 10.046 9.123 1.00 0.00 C ATOM 1161 O ALA A 77 -15.706 9.898 8.058 1.00 0.00 O ATOM 1162 CB ALA A 77 -12.848 11.195 8.936 1.00 0.00 C ATOM 0 H ALA A 77 -12.687 9.270 7.402 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.337 9.556 10.202 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.162 11.939 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.774 11.030 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.079 11.553 7.933 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.211 11.931 1.782 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.004 11.146 1.584 1.00 0.00 C ATOM 1323 C PHE A 87 -13.836 11.724 2.387 1.00 0.00 C ATOM 1324 O PHE A 87 -12.995 12.436 1.841 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.665 11.215 0.094 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.884 11.401 -0.813 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.816 10.416 -0.911 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.035 12.553 -1.521 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.946 10.589 -1.752 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.165 12.725 -2.363 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.097 11.740 -2.461 1.00 0.00 C ATOM 0 HA PHE A 87 -15.168 10.121 1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.972 12.039 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.147 10.300 -0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.696 9.502 -0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.296 13.336 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.686 9.806 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.284 13.639 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.957 11.871 -3.101 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.823 11.395 3.671 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.772 11.872 4.554 1.00 0.00 C ATOM 1343 C CYS A 88 -12.240 10.682 5.355 1.00 0.00 C ATOM 1344 O CYS A 88 -13.013 9.947 5.968 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.268 12.997 5.465 1.00 0.00 C ATOM 1346 SG CYS A 88 -14.971 12.641 6.031 1.00 0.00 S ATOM 0 H CYS A 88 -14.523 10.804 4.120 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.963 12.301 3.963 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.605 13.099 6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -13.245 13.946 4.930 1.00 0.00 H new ATOM 0 HG CYS A 88 -14.966 11.581 6.783 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.925 10.529 5.323 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.280 9.440 6.038 1.00 0.00 C ATOM 1354 C PHE A 89 -9.363 9.975 7.139 1.00 0.00 C ATOM 1355 O PHE A 89 -8.680 10.980 6.950 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.438 8.672 5.017 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.225 9.448 4.501 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.096 9.525 5.256 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.275 10.060 3.288 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -5.970 10.245 4.777 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.149 10.780 2.809 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.020 10.857 3.563 1.00 0.00 C ATOM 0 H PHE A 89 -10.288 11.141 4.813 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.032 8.804 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.095 7.742 5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.070 8.401 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.056 9.039 6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.171 9.998 2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.074 10.307 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.189 11.267 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.163 11.404 3.198 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.377 9.279 8.267 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.555 9.671 9.399 1.00 0.00 C ATOM 1374 C VAL A 90 -7.408 8.672 9.561 1.00 0.00 C ATOM 1375 O VAL A 90 -7.641 7.481 9.761 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.420 9.798 10.655 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.634 9.395 11.904 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -9.982 11.214 10.793 1.00 0.00 C ATOM 0 H VAL A 90 -9.945 8.446 8.421 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.110 10.651 9.227 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.262 9.113 10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.271 9.494 12.783 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.305 8.360 11.809 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.764 10.043 12.012 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.593 11.277 11.694 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.160 11.927 10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.594 11.449 9.922 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.194 9.193 9.468 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.010 8.361 9.602 1.00 0.00 C ATOM 1390 C ILE A 91 -4.678 8.189 11.086 1.00 0.00 C ATOM 1391 O ILE A 91 -4.161 9.107 11.721 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.856 8.934 8.777 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.025 8.600 7.293 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.506 8.464 9.320 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -2.927 9.259 6.454 1.00 0.00 C ATOM 0 H ILE A 91 -6.004 10.181 9.301 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.197 7.366 9.199 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.878 10.020 8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.995 7.519 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.003 8.938 6.949 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.704 8.886 8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.394 8.794 10.353 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.457 7.376 9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.070 9.006 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.976 10.341 6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.952 8.900 6.784 1.00 0.00 H new ATOM 1407 N ASN A 92 -4.988 7.006 11.595 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.730 6.702 12.992 1.00 0.00 C ATOM 1409 C ASN A 92 -3.265 6.291 13.158 1.00 0.00 C ATOM 1410 O ASN A 92 -2.814 5.327 12.542 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.603 5.542 13.474 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.274 5.878 14.808 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.650 6.344 15.747 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.578 5.617 14.838 1.00 0.00 N ATOM 0 H ASN A 92 -5.415 6.247 11.065 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.957 7.592 13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.364 5.320 12.726 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.994 4.645 13.585 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.117 5.807 15.683 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.039 5.227 14.016 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.563 7.044 13.992 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.159 6.770 14.246 1.00 0.00 C ATOM 1423 C ALA A 93 -0.967 6.450 15.730 1.00 0.00 C ATOM 1424 O ALA A 93 -1.855 5.886 16.367 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.316 7.964 13.794 1.00 0.00 C ATOM 0 H ALA A 93 -2.940 7.844 14.500 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.828 5.902 13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.737 7.759 13.985 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.466 8.132 12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.618 8.853 14.348 1.00 0.00 H new ATOM 1431 N LEU A 94 0.199 6.823 16.237 1.00 0.00 N ATOM 1432 CA LEU A 94 0.519 6.583 17.634 1.00 0.00 C ATOM 1433 C LEU A 94 -0.737 6.787 18.483 1.00 0.00 C ATOM 1434 O LEU A 94 -1.366 5.820 18.910 1.00 0.00 O ATOM 1435 CB LEU A 94 1.703 7.449 18.069 1.00 0.00 C ATOM 1436 CG LEU A 94 2.791 7.675 17.017 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.014 6.415 16.179 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.468 8.892 16.147 1.00 0.00 C ATOM 0 H LEU A 94 0.934 7.290 15.705 1.00 0.00 H new ATOM 0 HA LEU A 94 0.838 5.551 17.780 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.321 8.421 18.383 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.162 6.989 18.944 1.00 0.00 H new ATOM 0 HG LEU A 94 3.727 7.887 17.534 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.792 6.603 15.439 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.321 5.596 16.829 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.088 6.147 15.671 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.257 9.030 15.408 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.517 8.733 15.638 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.399 9.780 16.775 1.00 0.00 H new ATOM 1450 N SER A 95 -1.065 8.052 18.702 1.00 0.00 N ATOM 1451 CA SER A 95 -2.235 8.395 19.493 1.00 0.00 C ATOM 1452 C SER A 95 -2.877 9.673 18.949 1.00 0.00 C ATOM 1453 O SER A 95 -3.580 10.375 19.674 1.00 0.00 O ATOM 1454 CB SER A 95 -1.870 8.571 20.968 1.00 0.00 C ATOM 1455 OG SER A 95 -1.404 7.357 21.552 1.00 0.00 O ATOM 0 H SER A 95 -0.541 8.852 18.346 1.00 0.00 H new ATOM 0 HA SER A 95 -2.951 7.576 19.419 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.100 9.337 21.062 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.742 8.926 21.517 1.00 0.00 H new ATOM 0 HG SER A 95 -1.180 7.512 22.493 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.613 9.935 17.678 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.157 11.115 17.028 1.00 0.00 C ATOM 1463 C GLN A 96 -4.106 10.710 15.898 1.00 0.00 C ATOM 1464 O GLN A 96 -4.245 9.527 15.594 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.037 12.019 16.507 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.138 13.421 17.112 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.047 14.338 16.555 1.00 0.00 C ATOM 1468 OE1 GLN A 96 0.119 14.240 16.902 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.489 15.231 15.674 1.00 0.00 N ATOM 0 H GLN A 96 -2.029 9.350 17.080 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.724 11.683 17.765 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.069 11.582 16.752 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.092 12.083 15.420 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.119 13.844 16.896 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.048 13.360 18.197 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.479 15.258 15.428 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.838 15.888 15.244 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.734 11.716 15.307 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.665 11.479 14.217 1.00 0.00 C ATOM 1480 C ARG A 97 -5.588 12.617 13.197 1.00 0.00 C ATOM 1481 O ARG A 97 -5.961 13.750 13.496 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.100 11.364 14.735 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.531 12.647 15.449 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.725 12.388 16.370 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.434 12.894 17.730 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.367 13.105 18.668 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.656 12.854 18.400 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.011 13.566 19.875 1.00 0.00 N ATOM 0 H ARG A 97 -4.616 12.697 15.562 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.386 10.539 13.740 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.775 11.162 13.903 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.176 10.519 15.420 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.698 13.041 16.030 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.793 13.407 14.713 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.614 12.878 15.973 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.940 11.320 16.409 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.463 13.095 17.968 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.927 12.502 17.482 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.366 13.015 19.114 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.030 13.756 20.079 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.721 13.727 20.589 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.102 12.275 12.013 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.972 13.253 10.946 1.00 0.00 C ATOM 1504 C TYR A 98 -6.212 13.256 10.050 1.00 0.00 C ATOM 1505 O TYR A 98 -6.616 12.212 9.540 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.761 12.817 10.120 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.440 12.837 10.892 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.070 11.747 11.654 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.619 13.944 10.827 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.827 11.766 12.381 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.377 13.963 11.554 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.042 12.873 12.295 1.00 0.00 C ATOM 1513 OH TYR A 98 1.132 12.891 12.982 1.00 0.00 O ATOM 0 H TYR A 98 -4.793 11.334 11.769 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.859 14.256 11.357 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.935 11.809 9.744 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.672 13.470 9.252 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.712 10.880 11.705 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.908 14.796 10.230 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.525 10.920 12.981 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.274 14.824 11.512 1.00 0.00 H new ATOM 0 HH TYR A 98 1.589 13.744 12.827 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.781 14.441 9.885 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.967 14.593 9.059 1.00 0.00 C ATOM 1525 C PHE A 99 -7.609 15.169 7.688 1.00 0.00 C ATOM 1526 O PHE A 99 -7.278 16.348 7.573 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.894 15.571 9.784 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.534 14.999 11.051 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.415 13.967 10.961 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.221 15.522 12.266 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -11.009 13.436 12.136 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -9.815 14.991 13.442 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.696 13.960 13.352 1.00 0.00 C ATOM 0 H PHE A 99 -6.443 15.305 10.309 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.440 13.623 8.904 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.328 16.465 10.047 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.683 15.883 9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.663 13.551 9.996 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.521 16.341 12.337 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.709 12.617 12.065 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.567 15.406 14.407 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.148 13.556 14.246 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.688 14.311 6.682 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.377 14.720 5.323 1.00 0.00 C ATOM 1545 C LEU A 100 -8.636 14.607 4.460 1.00 0.00 C ATOM 1546 O LEU A 100 -9.543 13.840 4.777 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.188 13.923 4.782 1.00 0.00 C ATOM 1548 CG LEU A 100 -4.941 13.894 5.669 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.090 12.866 6.792 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.681 13.653 4.835 1.00 0.00 C ATOM 0 H LEU A 100 -7.963 13.334 6.781 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.067 15.765 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.512 12.896 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.910 14.336 3.812 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.834 14.871 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.190 12.866 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.951 13.123 7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.235 11.875 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.809 13.637 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.764 12.697 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.571 14.453 4.103 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.650 15.384 3.387 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.782 15.381 2.476 1.00 0.00 C ATOM 1564 C GLN A 101 -9.331 14.987 1.069 1.00 0.00 C ATOM 1565 O GLN A 101 -8.288 15.439 0.598 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.482 16.742 2.467 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.996 16.579 2.322 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.476 17.099 0.966 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.135 18.187 0.533 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.286 16.263 0.322 1.00 0.00 N ATOM 0 H GLN A 101 -7.896 16.020 3.128 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.502 14.641 2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.257 17.277 3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.098 17.347 1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.264 15.528 2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.502 17.119 3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.532 15.366 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.661 16.519 -0.591 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.138 14.149 0.435 1.00 0.00 N ATOM 1580 CA ALA A 102 -9.834 13.689 -0.909 1.00 0.00 C ATOM 1581 C ALA A 102 -10.626 14.523 -1.919 1.00 0.00 C ATOM 1582 O ALA A 102 -11.258 15.512 -1.553 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.141 12.194 -1.019 1.00 0.00 C ATOM 0 H ALA A 102 -11.003 13.777 0.828 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.775 13.821 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.913 11.849 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.533 11.644 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.196 12.023 -0.807 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.565 14.091 -3.171 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.268 14.785 -4.236 1.00 0.00 C ATOM 1591 C ASN A 103 -12.633 14.128 -4.453 1.00 0.00 C ATOM 1592 O ASN A 103 -13.662 14.801 -4.425 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.491 14.706 -5.552 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.647 15.964 -5.766 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.051 16.909 -6.425 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.457 15.924 -5.176 1.00 0.00 N ATOM 0 H ASN A 103 -10.040 13.270 -3.471 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.377 15.829 -3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.846 13.828 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.186 14.585 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.819 16.716 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.181 15.102 -4.639 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.598 12.820 -4.665 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.819 12.065 -4.887 1.00 0.00 C ATOM 1605 C ASP A 104 -13.867 10.885 -3.914 1.00 0.00 C ATOM 1606 O ASP A 104 -13.092 10.830 -2.960 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.870 11.506 -6.311 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.562 12.520 -7.414 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -13.963 13.691 -7.237 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.934 12.101 -8.410 1.00 0.00 O ATOM 0 H ASP A 104 -11.743 12.264 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.664 12.736 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.161 10.682 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.862 11.090 -6.487 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.785 9.970 -4.189 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.944 8.794 -3.350 1.00 0.00 C ATOM 1617 C GLN A 105 -13.865 7.759 -3.676 1.00 0.00 C ATOM 1618 O GLN A 105 -13.529 6.923 -2.839 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.343 8.195 -3.506 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.379 6.749 -3.008 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.761 6.128 -3.224 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.002 5.402 -4.174 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.651 6.454 -2.291 1.00 0.00 N ATOM 0 H GLN A 105 -15.426 10.019 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.827 9.096 -2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.063 8.794 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.643 8.230 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.626 6.161 -3.533 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.125 6.719 -1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.382 7.067 -1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.603 6.091 -2.345 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.352 7.850 -4.894 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.318 6.932 -5.341 1.00 0.00 C ATOM 1634 C LYS A 106 -11.014 7.241 -4.602 1.00 0.00 C ATOM 1635 O LYS A 106 -10.529 6.422 -3.823 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.186 6.973 -6.864 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.543 5.690 -7.394 1.00 0.00 C ATOM 1638 CD LYS A 106 -11.494 5.693 -8.924 1.00 0.00 C ATOM 1639 CE LYS A 106 -11.439 4.266 -9.473 1.00 0.00 C ATOM 1640 NZ LYS A 106 -10.607 4.213 -10.696 1.00 0.00 N ATOM 0 H LYS A 106 -13.633 8.545 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.589 5.905 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.170 7.104 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.584 7.833 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.534 5.593 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.108 4.825 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.372 6.205 -9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.621 6.251 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.029 3.595 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.447 3.917 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.580 3.238 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.015 4.838 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.641 4.526 -10.472 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.483 8.424 -4.874 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.245 8.852 -4.245 1.00 0.00 C ATOM 1656 C ASP A 107 -9.317 8.570 -2.743 1.00 0.00 C ATOM 1657 O ASP A 107 -8.371 8.043 -2.160 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.021 10.353 -4.434 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.676 10.733 -5.058 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.699 10.001 -4.789 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.656 11.746 -5.790 1.00 0.00 O ATOM 0 H ASP A 107 -10.888 9.100 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.425 8.304 -4.709 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.820 10.748 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.106 10.843 -3.464 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.450 8.933 -2.159 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.658 8.726 -0.736 1.00 0.00 C ATOM 1668 C LEU A 108 -10.373 7.263 -0.391 1.00 0.00 C ATOM 1669 O LEU A 108 -9.373 6.958 0.258 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.056 9.193 -0.325 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.522 8.771 1.069 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.134 7.369 1.042 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.381 8.878 2.084 1.00 0.00 C ATOM 0 H LEU A 108 -11.233 9.369 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.961 9.333 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.085 10.281 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.772 8.816 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.305 9.458 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.457 7.094 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.992 7.359 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.390 6.654 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.739 8.572 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.560 8.229 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.030 9.909 2.130 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.269 6.397 -0.840 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.127 4.973 -0.587 1.00 0.00 C ATOM 1687 C LYS A 109 -9.699 4.540 -0.925 1.00 0.00 C ATOM 1688 O LYS A 109 -9.020 3.928 -0.101 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.202 4.185 -1.338 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.448 3.994 -0.470 1.00 0.00 C ATOM 1691 CD LYS A 109 -14.637 4.769 -1.040 1.00 0.00 C ATOM 1692 CE LYS A 109 -15.864 4.634 -0.137 1.00 0.00 C ATOM 1693 NZ LYS A 109 -16.139 5.911 0.559 1.00 0.00 N ATOM 0 H LYS A 109 -12.097 6.654 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.286 4.756 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.470 4.711 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.807 3.213 -1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.695 2.934 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.243 4.331 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.373 5.821 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.873 4.398 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.730 4.343 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.699 3.843 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.156 5.981 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.600 5.945 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.855 6.706 -0.049 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.284 4.874 -2.138 1.00 0.00 N ATOM 1708 CA ASP A 110 -7.949 4.527 -2.595 1.00 0.00 C ATOM 1709 C ASP A 110 -6.932 4.899 -1.514 1.00 0.00 C ATOM 1710 O ASP A 110 -6.251 4.030 -0.973 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.587 5.293 -3.869 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.549 4.448 -5.143 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -8.337 3.480 -5.205 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -6.734 4.789 -6.027 1.00 0.00 O ATOM 0 H ASP A 110 -9.849 5.382 -2.819 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.930 3.457 -2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.307 6.099 -4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.611 5.758 -3.730 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.863 6.192 -1.232 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.941 6.689 -0.225 1.00 0.00 C ATOM 1721 C TRP A 111 -6.057 5.791 1.008 1.00 0.00 C ATOM 1722 O TRP A 111 -5.066 5.221 1.461 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.207 8.164 0.082 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.359 9.135 -0.741 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.776 10.048 -1.629 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.920 9.253 -0.716 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.717 10.743 -2.176 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.553 10.244 -1.603 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -2.962 8.546 0.031 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.222 10.618 -1.826 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.637 8.932 -0.203 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.250 9.927 -1.093 1.00 0.00 C ATOM 0 H TRP A 111 -7.430 6.910 -1.683 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.914 6.648 -0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.261 8.377 -0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.021 8.343 1.141 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.811 10.218 -1.884 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.777 11.486 -2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.227 7.767 0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.960 11.398 -2.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.861 8.421 0.347 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.204 10.166 -1.218 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.277 5.693 1.516 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.536 4.874 2.688 1.00 0.00 C ATOM 1745 C VAL A 112 -6.923 3.487 2.481 1.00 0.00 C ATOM 1746 O VAL A 112 -6.008 3.095 3.204 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.039 4.827 2.972 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.329 4.060 4.263 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.631 6.237 3.026 1.00 0.00 C ATOM 0 H VAL A 112 -8.097 6.167 1.137 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.066 5.309 3.570 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.519 4.294 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.404 4.042 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.959 3.039 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.831 4.552 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.700 6.175 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.144 6.806 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.472 6.735 2.070 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.452 2.783 1.491 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.968 1.449 1.180 1.00 0.00 C ATOM 1761 C GLU A 113 -5.440 1.443 1.104 1.00 0.00 C ATOM 1762 O GLU A 113 -4.788 0.599 1.716 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.584 0.932 -0.121 1.00 0.00 C ATOM 1764 CG GLU A 113 -9.107 1.077 -0.102 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.788 -0.229 -0.516 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.773 -1.164 0.314 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.309 -0.263 -1.651 1.00 0.00 O ATOM 0 H GLU A 113 -8.211 3.111 0.894 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.275 0.776 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.173 1.484 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.317 -0.115 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.436 1.362 0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.408 1.878 -0.777 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.913 2.394 0.346 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.474 2.508 0.181 1.00 0.00 C ATOM 1776 C ALA A 114 -2.821 2.685 1.553 1.00 0.00 C ATOM 1777 O ALA A 114 -1.831 2.023 1.863 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.160 3.666 -0.768 1.00 0.00 C ATOM 0 H ALA A 114 -5.457 3.092 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.065 1.601 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.081 3.752 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.623 3.478 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.553 4.594 -0.352 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.401 3.580 2.339 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.887 3.852 3.671 1.00 0.00 C ATOM 1786 C LEU A 115 -3.164 2.649 4.575 1.00 0.00 C ATOM 1787 O LEU A 115 -2.601 2.543 5.663 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.456 5.167 4.206 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.097 6.425 3.413 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.094 7.552 3.691 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.655 6.855 3.690 1.00 0.00 C ATOM 0 H LEU A 115 -4.222 4.126 2.079 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.806 3.987 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.542 5.082 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.112 5.298 5.232 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.165 6.190 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.816 8.434 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.095 7.231 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.082 7.794 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.426 7.751 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.536 7.066 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.975 6.054 3.401 1.00 0.00 H new ATOM 1803 N ASN A 116 -4.032 1.773 4.090 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.391 0.581 4.841 1.00 0.00 C ATOM 1805 C ASN A 116 -3.461 -0.567 4.443 1.00 0.00 C ATOM 1806 O ASN A 116 -3.355 -1.561 5.159 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.828 0.152 4.540 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.695 0.216 5.799 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.718 -0.691 6.614 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.404 1.336 5.911 1.00 0.00 N ATOM 0 H ASN A 116 -4.497 1.864 3.187 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.299 0.811 5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.250 0.798 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.833 -0.863 4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -8.014 1.475 6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.338 2.056 5.191 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.811 -0.390 3.301 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.894 -1.399 2.799 1.00 0.00 C ATOM 1819 C GLN A 117 -0.476 -1.127 3.306 1.00 0.00 C ATOM 1820 O GLN A 117 0.107 -1.956 4.003 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.928 -1.459 1.271 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.266 -2.007 0.773 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.086 -2.799 -0.524 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.555 -2.313 -1.510 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -3.556 -4.042 -0.469 1.00 0.00 N ATOM 0 H GLN A 117 -2.902 0.436 2.710 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.213 -2.371 3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.764 -0.463 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.116 -2.090 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.707 -2.648 1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.961 -1.184 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.989 -4.386 0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -3.483 -4.651 -1.284 1.00 0.00 H new ATOM 1834 N ALA A 118 0.037 0.037 2.937 1.00 0.00 N ATOM 1835 CA ALA A 118 1.375 0.429 3.345 1.00 0.00 C ATOM 1836 C ALA A 118 1.491 0.321 4.867 1.00 0.00 C ATOM 1837 O ALA A 118 2.545 -0.039 5.389 1.00 0.00 O ATOM 1838 CB ALA A 118 1.672 1.841 2.837 1.00 0.00 C ATOM 0 H ALA A 118 -0.450 0.722 2.359 1.00 0.00 H new ATOM 0 HA ALA A 118 2.119 -0.237 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.676 2.134 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.605 1.858 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.947 2.538 3.256 1.00 0.00 H new ATOM 1844 N SER A 119 0.392 0.640 5.536 1.00 0.00 N ATOM 1845 CA SER A 119 0.357 0.583 6.988 1.00 0.00 C ATOM 1846 C SER A 119 0.620 -0.847 7.462 1.00 0.00 C ATOM 1847 O SER A 119 1.387 -1.063 8.400 1.00 0.00 O ATOM 1848 CB SER A 119 -0.985 1.083 7.526 1.00 0.00 C ATOM 1849 OG SER A 119 -2.087 0.438 6.895 1.00 0.00 O ATOM 0 H SER A 119 -0.480 0.939 5.100 1.00 0.00 H new ATOM 0 HA SER A 119 1.139 1.236 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.031 0.911 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.059 2.160 7.372 1.00 0.00 H new ATOM 0 HG SER A 119 -2.395 0.981 6.139 1.00 0.00 H new