USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 610 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 66 GLN : amide:sc= 0.0739 X(o=-2.6,f=-2.8) USER MOD Set 1.2: A 68 GLN : amide:sc= -2.68! C(o=-2.6!,f=-2.8!) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.91 K(o=-0.56,f=-1.4) USER MOD Set 2.2: A 56 ASN : amide:sc= -1.47 K(o=-0.56,f=-1.9) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 79:sc= 1.3 USER MOD Single : A 19 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.238 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 26 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00409 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 47 GLN : amide:sc= -0.712 K(o=-0.71,f=-4.4!) USER MOD Single : A 49 CYS SG : rot -17:sc= 0.00486 USER MOD Single : A 62 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.39) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 71 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.0789 X(o=-0.079,f=-0.11) USER MOD Single : A 82 GLN : amide:sc= -1.08 K(o=-1.1,f=0.32) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.022 1.316 -5.737 1.00 0.00 N ATOM 192 CA GLY A 12 -10.233 0.807 -5.121 1.00 0.00 C ATOM 193 C GLY A 12 -9.952 -0.022 -3.884 1.00 0.00 C ATOM 194 O GLY A 12 -10.566 0.185 -2.837 1.00 0.00 O ATOM 0 HA2 GLY A 12 -10.880 1.643 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.777 0.200 -5.845 1.00 0.00 H new ATOM 198 N GLN A 13 -9.022 -0.964 -4.003 1.00 0.00 N ATOM 199 CA GLN A 13 -8.661 -1.829 -2.886 1.00 0.00 C ATOM 200 C GLN A 13 -8.010 -1.026 -1.764 1.00 0.00 C ATOM 201 O GLN A 13 -8.273 -1.262 -0.584 1.00 0.00 O ATOM 202 CB GLN A 13 -7.712 -2.934 -3.355 1.00 0.00 C ATOM 203 CG GLN A 13 -8.416 -4.239 -3.689 1.00 0.00 C ATOM 204 CD GLN A 13 -8.135 -5.331 -2.675 1.00 0.00 C ATOM 205 OE1 GLN A 13 -6.998 -5.779 -2.527 1.00 0.00 O ATOM 206 NE2 GLN A 13 -9.173 -5.766 -1.971 1.00 0.00 N ATOM 0 H GLN A 13 -8.504 -1.148 -4.863 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.574 -2.283 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.171 -2.587 -4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.971 -3.119 -2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.491 -4.065 -3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.100 -4.575 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.098 -5.366 -2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.045 -6.500 -1.275 1.00 0.00 H new ATOM 215 N LEU A 14 -7.159 -0.077 -2.139 1.00 0.00 N ATOM 216 CA LEU A 14 -6.470 0.761 -1.165 1.00 0.00 C ATOM 217 C LEU A 14 -7.460 1.621 -0.385 1.00 0.00 C ATOM 218 O LEU A 14 -7.385 1.714 0.840 1.00 0.00 O ATOM 219 CB LEU A 14 -5.443 1.652 -1.865 1.00 0.00 C ATOM 220 CG LEU A 14 -4.272 2.103 -0.990 1.00 0.00 C ATOM 221 CD1 LEU A 14 -4.780 2.792 0.266 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.388 0.918 -0.631 1.00 0.00 C ATOM 0 H LEU A 14 -6.930 0.131 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.955 0.107 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.047 1.115 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.953 2.536 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.674 2.818 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.933 3.106 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.371 3.665 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.401 2.100 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.560 1.257 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.974 0.179 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.996 0.467 -1.543 1.00 0.00 H new ATOM 234 N ALA A 15 -8.384 2.249 -1.103 1.00 0.00 N ATOM 235 CA ALA A 15 -9.388 3.103 -0.478 1.00 0.00 C ATOM 236 C ALA A 15 -10.322 2.293 0.415 1.00 0.00 C ATOM 237 O ALA A 15 -10.717 2.747 1.489 1.00 0.00 O ATOM 238 CB ALA A 15 -10.183 3.845 -1.541 1.00 0.00 C ATOM 0 H ALA A 15 -8.459 2.183 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.871 3.830 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.929 4.479 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.509 4.463 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.682 3.126 -2.191 1.00 0.00 H new ATOM 244 N THR A 16 -10.672 1.093 -0.036 1.00 0.00 N ATOM 245 CA THR A 16 -11.561 0.222 0.723 1.00 0.00 C ATOM 246 C THR A 16 -10.860 -0.332 1.959 1.00 0.00 C ATOM 247 O THR A 16 -11.390 -0.266 3.068 1.00 0.00 O ATOM 248 CB THR A 16 -12.053 -0.929 -0.157 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.687 -0.433 -1.323 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.034 -1.842 0.546 1.00 0.00 C ATOM 0 H THR A 16 -10.354 0.702 -0.923 1.00 0.00 H new ATOM 0 HA THR A 16 -12.416 0.814 1.049 1.00 0.00 H new ATOM 0 HB THR A 16 -11.161 -1.504 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.007 -0.163 -1.975 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.343 -2.636 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.559 -2.280 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.908 -1.268 0.855 1.00 0.00 H new ATOM 258 N LEU A 17 -9.665 -0.880 1.760 1.00 0.00 N ATOM 259 CA LEU A 17 -8.892 -1.447 2.858 1.00 0.00 C ATOM 260 C LEU A 17 -8.469 -0.362 3.844 1.00 0.00 C ATOM 261 O LEU A 17 -8.403 -0.598 5.051 1.00 0.00 O ATOM 262 CB LEU A 17 -7.657 -2.172 2.319 1.00 0.00 C ATOM 263 CG LEU A 17 -7.276 -3.448 3.071 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.547 -4.413 2.148 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.418 -3.116 4.282 1.00 0.00 C ATOM 0 H LEU A 17 -9.212 -0.943 0.848 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.525 -2.163 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.830 -2.423 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.811 -1.486 2.347 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.190 -3.929 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.283 -5.315 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.194 -4.675 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.640 -3.941 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.156 -4.036 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.508 -2.612 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.974 -2.462 4.954 1.00 0.00 H new ATOM 277 N ARG A 18 -8.183 0.826 3.323 1.00 0.00 N ATOM 278 CA ARG A 18 -7.766 1.947 4.158 1.00 0.00 C ATOM 279 C ARG A 18 -8.908 2.413 5.055 1.00 0.00 C ATOM 280 O ARG A 18 -8.712 2.675 6.242 1.00 0.00 O ATOM 281 CB ARG A 18 -7.280 3.107 3.288 1.00 0.00 C ATOM 282 CG ARG A 18 -6.724 4.274 4.087 1.00 0.00 C ATOM 283 CD ARG A 18 -6.342 5.436 3.185 1.00 0.00 C ATOM 284 NE ARG A 18 -5.153 6.135 3.668 1.00 0.00 N ATOM 285 CZ ARG A 18 -4.815 7.368 3.296 1.00 0.00 C ATOM 286 NH1 ARG A 18 -5.570 8.040 2.436 1.00 0.00 N ATOM 287 NH2 ARG A 18 -3.719 7.930 3.786 1.00 0.00 N ATOM 0 H ARG A 18 -8.232 1.038 2.326 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.946 1.609 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.510 2.743 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.107 3.460 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.466 4.605 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.850 3.947 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.161 5.067 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.175 6.137 3.124 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.546 5.650 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.414 7.612 2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.306 8.984 2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.135 7.418 4.447 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.459 8.874 3.502 1.00 0.00 H new ATOM 301 N GLN A 19 -10.102 2.516 4.480 1.00 0.00 N ATOM 302 CA GLN A 19 -11.276 2.951 5.227 1.00 0.00 C ATOM 303 C GLN A 19 -11.708 1.888 6.231 1.00 0.00 C ATOM 304 O GLN A 19 -12.143 2.205 7.338 1.00 0.00 O ATOM 305 CB GLN A 19 -12.428 3.265 4.270 1.00 0.00 C ATOM 306 CG GLN A 19 -13.374 4.335 4.788 1.00 0.00 C ATOM 307 CD GLN A 19 -12.971 5.730 4.353 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.558 6.300 3.433 1.00 0.00 O ATOM 309 NE2 GLN A 19 -11.963 6.288 5.014 1.00 0.00 N ATOM 0 H GLN A 19 -10.282 2.304 3.499 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.012 3.855 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.017 3.587 3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.993 2.352 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.383 4.125 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.404 4.292 5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.505 5.779 5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.647 7.225 4.765 1.00 0.00 H new ATOM 318 N ARG A 20 -11.587 0.625 5.836 1.00 0.00 N ATOM 319 CA ARG A 20 -11.966 -0.487 6.700 1.00 0.00 C ATOM 320 C ARG A 20 -10.929 -0.699 7.799 1.00 0.00 C ATOM 321 O ARG A 20 -11.274 -0.996 8.943 1.00 0.00 O ATOM 322 CB ARG A 20 -12.129 -1.767 5.877 1.00 0.00 C ATOM 323 CG ARG A 20 -13.509 -2.394 5.995 1.00 0.00 C ATOM 324 CD ARG A 20 -14.004 -2.910 4.653 1.00 0.00 C ATOM 325 NE ARG A 20 -14.268 -1.825 3.712 1.00 0.00 N ATOM 326 CZ ARG A 20 -15.364 -1.071 3.738 1.00 0.00 C ATOM 327 NH1 ARG A 20 -16.300 -1.280 4.655 1.00 0.00 N ATOM 328 NH2 ARG A 20 -15.525 -0.104 2.844 1.00 0.00 N ATOM 0 H ARG A 20 -11.229 0.346 4.923 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.919 -0.244 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.929 -1.543 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.381 -2.492 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.477 -3.214 6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.212 -1.658 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.261 -3.585 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.915 -3.490 4.802 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.571 -1.634 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.181 -2.022 5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.138 -0.699 4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.809 0.061 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.365 0.474 2.864 1.00 0.00 H new ATOM 342 N CYS A 21 -9.658 -0.547 7.443 1.00 0.00 N ATOM 343 CA CYS A 21 -8.569 -0.723 8.398 1.00 0.00 C ATOM 344 C CYS A 21 -8.091 0.621 8.948 1.00 0.00 C ATOM 345 O CYS A 21 -7.029 0.703 9.565 1.00 0.00 O ATOM 346 CB CYS A 21 -7.402 -1.460 7.740 1.00 0.00 C ATOM 347 SG CYS A 21 -6.553 -2.623 8.833 1.00 0.00 S ATOM 0 H CYS A 21 -9.356 -0.302 6.500 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.947 -1.317 9.230 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.773 -2.001 6.869 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.682 -0.727 7.377 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.583 -3.198 8.186 1.00 0.00 H new ATOM 353 N ALA A 22 -8.876 1.671 8.721 1.00 0.00 N ATOM 354 CA ALA A 22 -8.523 3.003 9.197 1.00 0.00 C ATOM 355 C ALA A 22 -8.460 3.044 10.721 1.00 0.00 C ATOM 356 O ALA A 22 -7.442 3.427 11.298 1.00 0.00 O ATOM 357 CB ALA A 22 -9.520 4.029 8.678 1.00 0.00 C ATOM 0 H ALA A 22 -9.758 1.624 8.212 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.533 3.249 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.245 5.019 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.511 4.026 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.519 3.777 9.033 1.00 0.00 H new ATOM 363 N PRO A 23 -9.554 2.651 11.398 1.00 0.00 N ATOM 364 CA PRO A 23 -9.623 2.647 12.859 1.00 0.00 C ATOM 365 C PRO A 23 -9.036 1.379 13.475 1.00 0.00 C ATOM 366 O PRO A 23 -9.626 0.791 14.382 1.00 0.00 O ATOM 367 CB PRO A 23 -11.124 2.719 13.116 1.00 0.00 C ATOM 368 CG PRO A 23 -11.733 1.980 11.973 1.00 0.00 C ATOM 369 CD PRO A 23 -10.816 2.186 10.790 1.00 0.00 C ATOM 0 HA PRO A 23 -9.048 3.459 13.303 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.386 2.261 14.070 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.472 3.751 13.152 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.833 0.920 12.206 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.734 2.355 11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.673 1.262 10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.220 2.922 10.095 1.00 0.00 H new ATOM 377 N VAL A 24 -7.875 0.962 12.981 1.00 0.00 N ATOM 378 CA VAL A 24 -7.216 -0.236 13.490 1.00 0.00 C ATOM 379 C VAL A 24 -5.809 0.076 13.993 1.00 0.00 C ATOM 380 O VAL A 24 -4.960 -0.811 14.079 1.00 0.00 O ATOM 381 CB VAL A 24 -7.130 -1.333 12.411 1.00 0.00 C ATOM 382 CG1 VAL A 24 -6.682 -2.651 13.022 1.00 0.00 C ATOM 383 CG2 VAL A 24 -8.467 -1.493 11.703 1.00 0.00 C ATOM 0 H VAL A 24 -7.372 1.435 12.230 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.823 -0.598 14.320 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.388 -1.031 11.672 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.627 -3.413 12.244 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.699 -2.526 13.477 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.398 -2.961 13.784 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.386 -2.272 10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.232 -1.770 12.428 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.742 -0.551 11.228 1.00 0.00 H new ATOM 393 N SER A 25 -5.566 1.341 14.325 1.00 0.00 N ATOM 394 CA SER A 25 -4.261 1.764 14.819 1.00 0.00 C ATOM 395 C SER A 25 -4.011 1.230 16.226 1.00 0.00 C ATOM 396 O SER A 25 -2.871 0.958 16.604 1.00 0.00 O ATOM 397 CB SER A 25 -4.160 3.290 14.815 1.00 0.00 C ATOM 398 OG SER A 25 -4.997 3.854 13.820 1.00 0.00 O ATOM 0 H SER A 25 -6.256 2.090 14.261 1.00 0.00 H new ATOM 0 HA SER A 25 -3.500 1.355 14.154 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.441 3.679 15.794 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.127 3.589 14.638 1.00 0.00 H new ATOM 0 HG SER A 25 -4.916 4.830 13.839 1.00 0.00 H new ATOM 404 N GLN A 26 -5.083 1.084 16.998 1.00 0.00 N ATOM 405 CA GLN A 26 -4.979 0.583 18.363 1.00 0.00 C ATOM 406 C GLN A 26 -4.635 -0.903 18.374 1.00 0.00 C ATOM 407 O GLN A 26 -3.976 -1.391 19.293 1.00 0.00 O ATOM 408 CB GLN A 26 -6.288 0.821 19.118 1.00 0.00 C ATOM 409 CG GLN A 26 -6.409 2.221 19.700 1.00 0.00 C ATOM 410 CD GLN A 26 -6.752 2.213 21.177 1.00 0.00 C ATOM 411 OE1 GLN A 26 -6.442 1.262 21.893 1.00 0.00 O ATOM 412 NE2 GLN A 26 -7.397 3.278 21.640 1.00 0.00 N ATOM 0 H GLN A 26 -6.033 1.306 16.701 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.176 1.126 18.861 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.125 0.644 18.442 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.370 0.093 19.925 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.470 2.754 19.552 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.177 2.771 19.156 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.634 4.044 21.010 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.655 3.329 22.626 1.00 0.00 H new ATOM 421 N PHE A 27 -5.085 -1.619 17.348 1.00 0.00 N ATOM 422 CA PHE A 27 -4.823 -3.050 17.240 1.00 0.00 C ATOM 423 C PHE A 27 -4.037 -3.369 15.972 1.00 0.00 C ATOM 424 O PHE A 27 -4.119 -4.478 15.443 1.00 0.00 O ATOM 425 CB PHE A 27 -6.138 -3.832 17.248 1.00 0.00 C ATOM 426 CG PHE A 27 -7.031 -3.496 18.408 1.00 0.00 C ATOM 427 CD1 PHE A 27 -6.579 -3.633 19.711 1.00 0.00 C ATOM 428 CD2 PHE A 27 -8.324 -3.045 18.195 1.00 0.00 C ATOM 429 CE1 PHE A 27 -7.399 -3.326 20.780 1.00 0.00 C ATOM 430 CE2 PHE A 27 -9.149 -2.736 19.260 1.00 0.00 C ATOM 431 CZ PHE A 27 -8.686 -2.877 20.554 1.00 0.00 C ATOM 0 H PHE A 27 -5.633 -1.232 16.580 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.224 -3.348 18.100 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.674 -3.635 16.319 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.916 -4.899 17.268 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.574 -3.984 19.893 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.691 -2.934 17.185 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.034 -3.437 21.791 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.154 -2.385 19.081 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.329 -2.637 21.388 1.00 0.00 H new ATOM 441 N ALA A 28 -3.276 -2.392 15.487 1.00 0.00 N ATOM 442 CA ALA A 28 -2.477 -2.573 14.281 1.00 0.00 C ATOM 443 C ALA A 28 -1.150 -3.253 14.598 1.00 0.00 C ATOM 444 O ALA A 28 -0.383 -2.778 15.436 1.00 0.00 O ATOM 445 CB ALA A 28 -2.237 -1.233 13.603 1.00 0.00 C ATOM 0 H ALA A 28 -3.196 -1.468 15.911 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.032 -3.219 13.600 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.639 -1.382 12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.193 -0.785 13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.706 -0.570 14.286 1.00 0.00 H new ATOM 451 N THR A 29 -0.885 -4.366 13.922 1.00 0.00 N ATOM 452 CA THR A 29 0.351 -5.111 14.131 1.00 0.00 C ATOM 453 C THR A 29 0.786 -5.815 12.850 1.00 0.00 C ATOM 454 O THR A 29 -0.014 -6.482 12.194 1.00 0.00 O ATOM 455 CB THR A 29 0.171 -6.135 15.253 1.00 0.00 C ATOM 456 OG1 THR A 29 -0.728 -5.651 16.234 1.00 0.00 O ATOM 457 CG2 THR A 29 1.466 -6.490 15.952 1.00 0.00 C ATOM 0 H THR A 29 -1.509 -4.772 13.225 1.00 0.00 H new ATOM 0 HA THR A 29 1.128 -4.402 14.417 1.00 0.00 H new ATOM 0 HB THR A 29 -0.219 -7.030 14.768 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.831 -6.321 16.942 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.268 -7.220 16.736 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.165 -6.913 15.230 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.899 -5.592 16.393 1.00 0.00 H new ATOM 465 N LEU A 30 2.059 -5.662 12.501 1.00 0.00 N ATOM 466 CA LEU A 30 2.603 -6.284 11.299 1.00 0.00 C ATOM 467 C LEU A 30 3.542 -7.431 11.658 1.00 0.00 C ATOM 468 O LEU A 30 4.195 -7.407 12.701 1.00 0.00 O ATOM 469 CB LEU A 30 3.345 -5.246 10.454 1.00 0.00 C ATOM 470 CG LEU A 30 2.481 -4.511 9.427 1.00 0.00 C ATOM 471 CD1 LEU A 30 3.290 -3.432 8.723 1.00 0.00 C ATOM 472 CD2 LEU A 30 1.905 -5.492 8.417 1.00 0.00 C ATOM 0 H LEU A 30 2.734 -5.113 13.033 1.00 0.00 H new ATOM 0 HA LEU A 30 1.772 -6.687 10.720 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.794 -4.511 11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.162 -5.743 9.930 1.00 0.00 H new ATOM 0 HG LEU A 30 1.654 -4.032 9.952 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.659 -2.920 7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.655 -2.713 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.137 -3.888 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.293 -4.953 7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.718 -5.999 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.290 -6.228 8.935 1.00 0.00 H new ATOM 484 N SER A 31 3.603 -8.434 10.789 1.00 0.00 N ATOM 485 CA SER A 31 4.461 -9.592 11.015 1.00 0.00 C ATOM 486 C SER A 31 5.922 -9.170 11.150 1.00 0.00 C ATOM 487 O SER A 31 6.301 -8.070 10.747 1.00 0.00 O ATOM 488 CB SER A 31 4.309 -10.597 9.870 1.00 0.00 C ATOM 489 OG SER A 31 3.937 -11.874 10.358 1.00 0.00 O ATOM 0 H SER A 31 3.068 -8.469 9.921 1.00 0.00 H new ATOM 0 HA SER A 31 4.153 -10.066 11.947 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.557 -10.240 9.166 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.248 -10.673 9.322 1.00 0.00 H new ATOM 0 HG SER A 31 3.845 -12.497 9.607 1.00 0.00 H new ATOM 495 N ALA A 32 6.737 -10.052 11.719 1.00 0.00 N ATOM 496 CA ALA A 32 8.156 -9.773 11.908 1.00 0.00 C ATOM 497 C ALA A 32 8.964 -10.097 10.652 1.00 0.00 C ATOM 498 O ALA A 32 10.187 -9.956 10.640 1.00 0.00 O ATOM 499 CB ALA A 32 8.691 -10.556 13.096 1.00 0.00 C ATOM 0 H ALA A 32 6.439 -10.967 12.058 1.00 0.00 H new ATOM 0 HA ALA A 32 8.263 -8.706 12.105 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.751 -10.339 13.227 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.148 -10.268 13.996 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.558 -11.623 12.918 1.00 0.00 H new ATOM 505 N ARG A 33 8.279 -10.532 9.596 1.00 0.00 N ATOM 506 CA ARG A 33 8.944 -10.871 8.343 1.00 0.00 C ATOM 507 C ARG A 33 8.843 -9.725 7.339 1.00 0.00 C ATOM 508 O ARG A 33 8.978 -9.933 6.133 1.00 0.00 O ATOM 509 CB ARG A 33 8.335 -12.142 7.747 1.00 0.00 C ATOM 510 CG ARG A 33 9.069 -13.413 8.145 1.00 0.00 C ATOM 511 CD ARG A 33 8.673 -14.584 7.261 1.00 0.00 C ATOM 512 NE ARG A 33 9.525 -14.691 6.079 1.00 0.00 N ATOM 513 CZ ARG A 33 9.585 -15.772 5.303 1.00 0.00 C ATOM 514 NH1 ARG A 33 8.845 -16.838 5.581 1.00 0.00 N ATOM 515 NH2 ARG A 33 10.386 -15.786 4.247 1.00 0.00 N ATOM 0 H ARG A 33 7.267 -10.657 9.585 1.00 0.00 H new ATOM 0 HA ARG A 33 9.998 -11.046 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.295 -12.219 8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.333 -12.059 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.145 -13.250 8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.849 -13.651 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.733 -15.508 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.635 -14.468 6.950 1.00 0.00 H new ATOM 0 HE ARG A 33 10.108 -13.891 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.227 -16.832 6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.895 -17.663 4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.956 -14.969 4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.432 -16.614 3.653 1.00 0.00 H new ATOM 529 N PHE A 34 8.604 -8.517 7.841 1.00 0.00 N ATOM 530 CA PHE A 34 8.485 -7.346 6.989 1.00 0.00 C ATOM 531 C PHE A 34 9.768 -7.114 6.198 1.00 0.00 C ATOM 532 O PHE A 34 10.867 -7.381 6.685 1.00 0.00 O ATOM 533 CB PHE A 34 8.163 -6.116 7.836 1.00 0.00 C ATOM 534 CG PHE A 34 9.133 -5.888 8.960 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.439 -5.505 8.699 1.00 0.00 C ATOM 536 CD2 PHE A 34 8.739 -6.056 10.278 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.334 -5.294 9.731 1.00 0.00 C ATOM 538 CE2 PHE A 34 9.629 -5.846 11.314 1.00 0.00 C ATOM 539 CZ PHE A 34 10.928 -5.465 11.040 1.00 0.00 C ATOM 0 H PHE A 34 8.489 -8.327 8.837 1.00 0.00 H new ATOM 0 HA PHE A 34 7.674 -7.518 6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.151 -5.236 7.193 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.160 -6.222 8.249 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.761 -5.370 7.677 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.725 -6.354 10.498 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.349 -4.996 9.514 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.309 -5.980 12.337 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.625 -5.301 11.848 1.00 0.00 H new ATOM 549 N ASP A 35 9.621 -6.614 4.975 1.00 0.00 N ATOM 550 CA ASP A 35 10.768 -6.344 4.116 1.00 0.00 C ATOM 551 C ASP A 35 10.882 -4.853 3.818 1.00 0.00 C ATOM 552 O ASP A 35 9.916 -4.219 3.397 1.00 0.00 O ATOM 553 CB ASP A 35 10.649 -7.131 2.810 1.00 0.00 C ATOM 554 CG ASP A 35 11.985 -7.664 2.333 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.997 -6.946 2.479 1.00 0.00 O ATOM 556 OD2 ASP A 35 12.020 -8.800 1.814 1.00 0.00 O ATOM 0 H ASP A 35 8.719 -6.388 4.557 1.00 0.00 H new ATOM 0 HA ASP A 35 11.669 -6.661 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.959 -7.963 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.221 -6.489 2.040 1.00 0.00 H new ATOM 561 N ARG A 36 12.069 -4.299 4.041 1.00 0.00 N ATOM 562 CA ARG A 36 12.309 -2.881 3.798 1.00 0.00 C ATOM 563 C ARG A 36 12.121 -2.534 2.322 1.00 0.00 C ATOM 564 O ARG A 36 11.906 -1.373 1.973 1.00 0.00 O ATOM 565 CB ARG A 36 13.721 -2.498 4.247 1.00 0.00 C ATOM 566 CG ARG A 36 14.814 -3.333 3.598 1.00 0.00 C ATOM 567 CD ARG A 36 15.993 -3.539 4.537 1.00 0.00 C ATOM 568 NE ARG A 36 16.176 -4.947 4.883 1.00 0.00 N ATOM 569 CZ ARG A 36 17.173 -5.400 5.640 1.00 0.00 C ATOM 570 NH1 ARG A 36 18.077 -4.561 6.131 1.00 0.00 N ATOM 571 NH2 ARG A 36 17.267 -6.695 5.906 1.00 0.00 N ATOM 0 H ARG A 36 12.880 -4.810 4.390 1.00 0.00 H new ATOM 0 HA ARG A 36 11.581 -2.314 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.894 -1.447 4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.790 -2.603 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.408 -4.301 3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.155 -2.842 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.901 -3.160 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.838 -2.959 5.447 1.00 0.00 H new ATOM 0 HE ARG A 36 15.501 -5.622 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.010 -3.563 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.839 -4.914 6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.576 -7.344 5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.031 -7.042 6.486 1.00 0.00 H new ATOM 585 N HIS A 37 12.207 -3.543 1.460 1.00 0.00 N ATOM 586 CA HIS A 37 12.048 -3.337 0.025 1.00 0.00 C ATOM 587 C HIS A 37 10.577 -3.164 -0.346 1.00 0.00 C ATOM 588 O HIS A 37 10.242 -2.394 -1.246 1.00 0.00 O ATOM 589 CB HIS A 37 12.649 -4.513 -0.748 1.00 0.00 C ATOM 590 CG HIS A 37 13.943 -4.185 -1.425 1.00 0.00 C ATOM 591 ND1 HIS A 37 15.173 -4.371 -0.830 1.00 0.00 N ATOM 592 CD2 HIS A 37 14.196 -3.679 -2.656 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.126 -3.994 -1.664 1.00 0.00 C ATOM 594 NE2 HIS A 37 15.559 -3.571 -2.779 1.00 0.00 N ATOM 0 H HIS A 37 12.386 -4.510 1.730 1.00 0.00 H new ATOM 0 HA HIS A 37 12.577 -2.423 -0.246 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.808 -5.345 -0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.932 -4.850 -1.497 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.462 -3.411 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.187 -4.026 -1.467 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.054 -3.221 -3.599 1.00 0.00 H new ATOM 603 N LEU A 38 9.705 -3.886 0.350 1.00 0.00 N ATOM 604 CA LEU A 38 8.271 -3.812 0.088 1.00 0.00 C ATOM 605 C LEU A 38 7.604 -2.765 0.976 1.00 0.00 C ATOM 606 O LEU A 38 6.602 -2.161 0.593 1.00 0.00 O ATOM 607 CB LEU A 38 7.620 -5.178 0.314 1.00 0.00 C ATOM 608 CG LEU A 38 8.249 -6.333 -0.466 1.00 0.00 C ATOM 609 CD1 LEU A 38 7.828 -7.669 0.127 1.00 0.00 C ATOM 610 CD2 LEU A 38 7.865 -6.255 -1.936 1.00 0.00 C ATOM 0 H LEU A 38 9.965 -4.528 1.099 1.00 0.00 H new ATOM 0 HA LEU A 38 8.134 -3.517 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.663 -5.412 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.566 -5.110 0.045 1.00 0.00 H new ATOM 0 HG LEU A 38 9.333 -6.250 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.285 -8.479 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.154 -7.725 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.743 -7.761 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.321 -7.085 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.781 -6.312 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.217 -5.312 -2.355 1.00 0.00 H new ATOM 622 N PHE A 39 8.163 -2.558 2.164 1.00 0.00 N ATOM 623 CA PHE A 39 7.619 -1.586 3.106 1.00 0.00 C ATOM 624 C PHE A 39 8.628 -0.478 3.390 1.00 0.00 C ATOM 625 O PHE A 39 9.813 -0.610 3.083 1.00 0.00 O ATOM 626 CB PHE A 39 7.224 -2.278 4.412 1.00 0.00 C ATOM 627 CG PHE A 39 6.110 -3.273 4.251 1.00 0.00 C ATOM 628 CD1 PHE A 39 6.382 -4.587 3.907 1.00 0.00 C ATOM 629 CD2 PHE A 39 4.791 -2.894 4.444 1.00 0.00 C ATOM 630 CE1 PHE A 39 5.360 -5.505 3.759 1.00 0.00 C ATOM 631 CE2 PHE A 39 3.765 -3.807 4.297 1.00 0.00 C ATOM 632 CZ PHE A 39 4.049 -5.114 3.954 1.00 0.00 C ATOM 0 H PHE A 39 8.992 -3.050 2.497 1.00 0.00 H new ATOM 0 HA PHE A 39 6.733 -1.138 2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.097 -2.785 4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.923 -1.522 5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.405 -4.898 3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.563 -1.873 4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.585 -6.527 3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.741 -3.499 4.450 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.248 -5.829 3.838 1.00 0.00 H new ATOM 642 N GLN A 40 8.150 0.614 3.977 1.00 0.00 N ATOM 643 CA GLN A 40 9.009 1.746 4.303 1.00 0.00 C ATOM 644 C GLN A 40 9.514 1.652 5.740 1.00 0.00 C ATOM 645 O GLN A 40 9.112 0.766 6.493 1.00 0.00 O ATOM 646 CB GLN A 40 8.253 3.061 4.103 1.00 0.00 C ATOM 647 CG GLN A 40 9.123 4.190 3.574 1.00 0.00 C ATOM 648 CD GLN A 40 8.791 4.562 2.142 1.00 0.00 C ATOM 649 OE1 GLN A 40 9.516 4.209 1.213 1.00 0.00 O ATOM 650 NE2 GLN A 40 7.688 5.279 1.958 1.00 0.00 N ATOM 0 H GLN A 40 7.172 0.739 4.237 1.00 0.00 H new ATOM 0 HA GLN A 40 9.868 1.721 3.632 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.428 2.894 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.815 3.366 5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.001 5.066 4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.171 3.895 3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.116 5.550 2.758 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.413 5.559 1.017 1.00 0.00 H new ATOM 659 N THR A 41 10.397 2.573 6.112 1.00 0.00 N ATOM 660 CA THR A 41 10.957 2.595 7.459 1.00 0.00 C ATOM 661 C THR A 41 9.879 2.908 8.493 1.00 0.00 C ATOM 662 O THR A 41 9.984 2.508 9.652 1.00 0.00 O ATOM 663 CB THR A 41 12.082 3.628 7.549 1.00 0.00 C ATOM 664 OG1 THR A 41 12.576 3.716 8.874 1.00 0.00 O ATOM 665 CG2 THR A 41 11.656 5.016 7.123 1.00 0.00 C ATOM 0 H THR A 41 10.740 3.314 5.500 1.00 0.00 H new ATOM 0 HA THR A 41 11.363 1.606 7.673 1.00 0.00 H new ATOM 0 HB THR A 41 12.853 3.277 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.296 4.380 8.911 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.501 5.699 7.211 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.316 4.991 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.843 5.360 7.763 1.00 0.00 H new ATOM 673 N ARG A 42 8.844 3.626 8.067 1.00 0.00 N ATOM 674 CA ARG A 42 7.749 3.991 8.958 1.00 0.00 C ATOM 675 C ARG A 42 6.657 2.921 8.966 1.00 0.00 C ATOM 676 O ARG A 42 5.578 3.131 9.521 1.00 0.00 O ATOM 677 CB ARG A 42 7.153 5.337 8.541 1.00 0.00 C ATOM 678 CG ARG A 42 7.867 6.533 9.148 1.00 0.00 C ATOM 679 CD ARG A 42 7.610 7.799 8.347 1.00 0.00 C ATOM 680 NE ARG A 42 7.694 8.999 9.177 1.00 0.00 N ATOM 681 CZ ARG A 42 8.841 9.564 9.549 1.00 0.00 C ATOM 682 NH1 ARG A 42 10.000 9.041 9.170 1.00 0.00 N ATOM 683 NH2 ARG A 42 8.828 10.655 10.303 1.00 0.00 N ATOM 0 H ARG A 42 8.741 3.966 7.111 1.00 0.00 H new ATOM 0 HA ARG A 42 8.154 4.072 9.967 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.185 5.418 7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.103 5.365 8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.531 6.676 10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.939 6.337 9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.335 7.868 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.623 7.744 7.889 1.00 0.00 H new ATOM 0 HE ARG A 42 6.823 9.429 9.490 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.016 8.202 8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.875 9.478 9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.940 11.061 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.706 11.088 10.588 1.00 0.00 H new ATOM 697 N ALA A 43 6.939 1.775 8.350 1.00 0.00 N ATOM 698 CA ALA A 43 5.975 0.682 8.295 1.00 0.00 C ATOM 699 C ALA A 43 6.228 -0.328 9.409 1.00 0.00 C ATOM 700 O ALA A 43 6.957 -1.302 9.223 1.00 0.00 O ATOM 701 CB ALA A 43 6.031 -0.001 6.937 1.00 0.00 C ATOM 0 H ALA A 43 7.825 1.581 7.884 1.00 0.00 H new ATOM 0 HA ALA A 43 4.978 1.100 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.307 -0.815 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.795 0.722 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.032 -0.400 6.771 1.00 0.00 H new ATOM 707 N THR A 44 5.621 -0.088 10.566 1.00 0.00 N ATOM 708 CA THR A 44 5.780 -0.977 11.712 1.00 0.00 C ATOM 709 C THR A 44 4.488 -1.735 11.996 1.00 0.00 C ATOM 710 O THR A 44 4.514 -2.873 12.465 1.00 0.00 O ATOM 711 CB THR A 44 6.200 -0.179 12.947 1.00 0.00 C ATOM 712 OG1 THR A 44 5.693 1.142 12.887 1.00 0.00 O ATOM 713 CG2 THR A 44 7.701 -0.087 13.118 1.00 0.00 C ATOM 0 H THR A 44 5.014 0.714 10.736 1.00 0.00 H new ATOM 0 HA THR A 44 6.559 -1.701 11.474 1.00 0.00 H new ATOM 0 HB THR A 44 5.786 -0.723 13.796 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.971 1.636 13.687 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.930 0.492 14.013 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.118 -1.089 13.218 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.137 0.403 12.247 1.00 0.00 H new ATOM 721 N THR A 45 3.358 -1.097 11.710 1.00 0.00 N ATOM 722 CA THR A 45 2.055 -1.712 11.935 1.00 0.00 C ATOM 723 C THR A 45 1.117 -1.447 10.762 1.00 0.00 C ATOM 724 O THR A 45 1.494 -0.795 9.788 1.00 0.00 O ATOM 725 CB THR A 45 1.435 -1.185 13.230 1.00 0.00 C ATOM 726 OG1 THR A 45 1.020 0.161 13.077 1.00 0.00 O ATOM 727 CG2 THR A 45 2.378 -1.243 14.413 1.00 0.00 C ATOM 0 H THR A 45 3.318 -0.155 11.322 1.00 0.00 H new ATOM 0 HA THR A 45 2.200 -2.789 12.023 1.00 0.00 H new ATOM 0 HB THR A 45 0.587 -1.839 13.430 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.625 0.479 13.916 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.875 -0.854 15.299 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.677 -2.276 14.590 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.262 -0.640 14.204 1.00 0.00 H new ATOM 735 N LEU A 46 -0.106 -1.958 10.862 1.00 0.00 N ATOM 736 CA LEU A 46 -1.100 -1.779 9.810 1.00 0.00 C ATOM 737 C LEU A 46 -1.367 -0.299 9.553 1.00 0.00 C ATOM 738 O LEU A 46 -1.278 0.170 8.419 1.00 0.00 O ATOM 739 CB LEU A 46 -2.403 -2.485 10.189 1.00 0.00 C ATOM 740 CG LEU A 46 -2.316 -4.011 10.254 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.438 -4.573 11.114 1.00 0.00 C ATOM 742 CD2 LEU A 46 -2.364 -4.606 8.855 1.00 0.00 C ATOM 0 H LEU A 46 -0.433 -2.500 11.662 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.705 -2.220 8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.731 -2.113 11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.171 -2.210 9.466 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.365 -4.284 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.360 -5.660 11.149 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.359 -4.171 12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.400 -4.292 10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.301 -5.692 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.300 -4.325 8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.526 -4.228 8.270 1.00 0.00 H new ATOM 754 N GLN A 47 -1.695 0.431 10.614 1.00 0.00 N ATOM 755 CA GLN A 47 -1.976 1.857 10.501 1.00 0.00 C ATOM 756 C GLN A 47 -0.765 2.610 9.958 1.00 0.00 C ATOM 757 O GLN A 47 -0.908 3.629 9.282 1.00 0.00 O ATOM 758 CB GLN A 47 -2.381 2.427 11.863 1.00 0.00 C ATOM 759 CG GLN A 47 -1.263 2.400 12.892 1.00 0.00 C ATOM 760 CD GLN A 47 -0.654 3.769 13.127 1.00 0.00 C ATOM 761 OE1 GLN A 47 -0.147 4.403 12.202 1.00 0.00 O ATOM 762 NE2 GLN A 47 -0.700 4.231 14.371 1.00 0.00 N ATOM 0 H GLN A 47 -1.773 0.059 11.561 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.802 1.986 9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.717 3.455 11.731 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.230 1.861 12.246 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.650 2.012 13.834 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.485 1.712 12.560 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.130 3.671 15.107 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.305 5.146 14.590 1.00 0.00 H new ATOM 771 N ALA A 48 0.426 2.102 10.258 1.00 0.00 N ATOM 772 CA ALA A 48 1.660 2.726 9.798 1.00 0.00 C ATOM 773 C ALA A 48 1.836 2.551 8.294 1.00 0.00 C ATOM 774 O ALA A 48 2.028 3.524 7.564 1.00 0.00 O ATOM 775 CB ALA A 48 2.854 2.147 10.542 1.00 0.00 C ATOM 0 H ALA A 48 0.562 1.260 10.818 1.00 0.00 H new ATOM 0 HA ALA A 48 1.598 3.794 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.769 2.622 10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.740 2.330 11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.910 1.074 10.361 1.00 0.00 H new ATOM 781 N CYS A 49 1.767 1.305 7.836 1.00 0.00 N ATOM 782 CA CYS A 49 1.917 1.004 6.417 1.00 0.00 C ATOM 783 C CYS A 49 0.769 1.607 5.613 1.00 0.00 C ATOM 784 O CYS A 49 0.960 2.063 4.486 1.00 0.00 O ATOM 785 CB CYS A 49 1.973 -0.509 6.196 1.00 0.00 C ATOM 786 SG CYS A 49 0.451 -1.378 6.640 1.00 0.00 S ATOM 0 H CYS A 49 1.608 0.488 8.426 1.00 0.00 H new ATOM 0 HA CYS A 49 2.852 1.446 6.073 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.197 -0.704 5.147 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.797 -0.920 6.780 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.280 -0.614 7.395 1.00 0.00 H new ATOM 792 N LEU A 50 -0.422 1.608 6.203 1.00 0.00 N ATOM 793 CA LEU A 50 -1.600 2.158 5.545 1.00 0.00 C ATOM 794 C LEU A 50 -1.442 3.659 5.325 1.00 0.00 C ATOM 795 O LEU A 50 -1.706 4.169 4.236 1.00 0.00 O ATOM 796 CB LEU A 50 -2.853 1.881 6.378 1.00 0.00 C ATOM 797 CG LEU A 50 -4.177 2.205 5.685 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.497 1.159 4.629 1.00 0.00 C ATOM 799 CD2 LEU A 50 -5.303 2.298 6.705 1.00 0.00 C ATOM 0 H LEU A 50 -0.596 1.234 7.136 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.706 1.673 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.857 0.828 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.792 2.459 7.300 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.080 3.172 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.443 1.406 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.703 1.141 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.575 0.179 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.238 2.529 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.400 1.346 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.078 3.085 7.424 1.00 0.00 H new ATOM 811 N ASP A 51 -1.007 4.361 6.367 1.00 0.00 N ATOM 812 CA ASP A 51 -0.809 5.803 6.288 1.00 0.00 C ATOM 813 C ASP A 51 0.341 6.140 5.345 1.00 0.00 C ATOM 814 O ASP A 51 0.267 7.100 4.578 1.00 0.00 O ATOM 815 CB ASP A 51 -0.532 6.379 7.678 1.00 0.00 C ATOM 816 CG ASP A 51 -1.792 6.869 8.363 1.00 0.00 C ATOM 817 OD1 ASP A 51 -2.836 6.195 8.238 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.736 7.928 9.023 1.00 0.00 O ATOM 0 H ASP A 51 -0.785 3.954 7.276 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.722 6.250 5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.059 5.616 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.176 7.204 7.592 1.00 0.00 H new ATOM 823 N GLU A 52 1.402 5.342 5.406 1.00 0.00 N ATOM 824 CA GLU A 52 2.567 5.554 4.555 1.00 0.00 C ATOM 825 C GLU A 52 2.195 5.397 3.085 1.00 0.00 C ATOM 826 O GLU A 52 2.619 6.185 2.239 1.00 0.00 O ATOM 827 CB GLU A 52 3.680 4.569 4.921 1.00 0.00 C ATOM 828 CG GLU A 52 4.673 5.122 5.930 1.00 0.00 C ATOM 829 CD GLU A 52 5.929 5.662 5.275 1.00 0.00 C ATOM 830 OE1 GLU A 52 6.381 5.066 4.275 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.461 6.682 5.762 1.00 0.00 O ATOM 0 H GLU A 52 1.479 4.543 6.035 1.00 0.00 H new ATOM 0 HA GLU A 52 2.927 6.570 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.232 3.661 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.215 4.285 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.197 5.916 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.944 4.337 6.635 1.00 0.00 H new ATOM 838 N ALA A 53 1.398 4.376 2.788 1.00 0.00 N ATOM 839 CA ALA A 53 0.965 4.117 1.421 1.00 0.00 C ATOM 840 C ALA A 53 0.138 5.278 0.883 1.00 0.00 C ATOM 841 O ALA A 53 0.324 5.712 -0.254 1.00 0.00 O ATOM 842 CB ALA A 53 0.167 2.823 1.356 1.00 0.00 C ATOM 0 H ALA A 53 1.039 3.714 3.476 1.00 0.00 H new ATOM 0 HA ALA A 53 1.852 4.014 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.150 2.642 0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.789 1.995 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.710 2.904 1.998 1.00 0.00 H new ATOM 848 N GLY A 54 -0.774 5.781 1.709 1.00 0.00 N ATOM 849 CA GLY A 54 -1.613 6.891 1.299 1.00 0.00 C ATOM 850 C GLY A 54 -0.813 8.151 1.035 1.00 0.00 C ATOM 851 O GLY A 54 -1.088 8.882 0.084 1.00 0.00 O ATOM 0 H GLY A 54 -0.947 5.440 2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.161 6.616 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.353 7.089 2.074 1.00 0.00 H new ATOM 855 N ASP A 55 0.182 8.403 1.880 1.00 0.00 N ATOM 856 CA ASP A 55 1.028 9.581 1.734 1.00 0.00 C ATOM 857 C ASP A 55 1.827 9.516 0.437 1.00 0.00 C ATOM 858 O ASP A 55 1.972 10.516 -0.267 1.00 0.00 O ATOM 859 CB ASP A 55 1.977 9.704 2.929 1.00 0.00 C ATOM 860 CG ASP A 55 2.042 11.118 3.472 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.632 11.987 2.797 1.00 0.00 O ATOM 862 OD2 ASP A 55 1.503 11.356 4.574 1.00 0.00 O ATOM 0 H ASP A 55 0.422 7.807 2.672 1.00 0.00 H new ATOM 0 HA ASP A 55 0.385 10.460 1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.651 9.029 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.976 9.386 2.630 1.00 0.00 H new ATOM 867 N ASN A 56 2.342 8.331 0.125 1.00 0.00 N ATOM 868 CA ASN A 56 3.125 8.133 -1.089 1.00 0.00 C ATOM 869 C ASN A 56 2.255 8.310 -2.328 1.00 0.00 C ATOM 870 O ASN A 56 2.716 8.800 -3.359 1.00 0.00 O ATOM 871 CB ASN A 56 3.760 6.741 -1.090 1.00 0.00 C ATOM 872 CG ASN A 56 4.532 6.456 0.184 1.00 0.00 C ATOM 873 OD1 ASN A 56 4.745 7.347 1.006 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.958 5.209 0.353 1.00 0.00 N ATOM 0 H ASN A 56 2.231 7.493 0.696 1.00 0.00 H new ATOM 0 HA ASN A 56 3.915 8.883 -1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.981 5.989 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.430 6.651 -1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.484 4.959 1.190 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.759 4.502 -0.354 1.00 0.00 H new ATOM 881 N LEU A 57 0.992 7.910 -2.219 1.00 0.00 N ATOM 882 CA LEU A 57 0.055 8.026 -3.329 1.00 0.00 C ATOM 883 C LEU A 57 -0.176 9.490 -3.690 1.00 0.00 C ATOM 884 O LEU A 57 -0.069 9.878 -4.853 1.00 0.00 O ATOM 885 CB LEU A 57 -1.275 7.355 -2.973 1.00 0.00 C ATOM 886 CG LEU A 57 -1.682 6.199 -3.888 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.549 5.202 -3.134 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.413 6.724 -5.114 1.00 0.00 C ATOM 0 H LEU A 57 0.595 7.503 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 57 0.485 7.521 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.215 6.985 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.062 8.109 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.779 5.686 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.829 4.386 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.992 4.803 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.448 5.701 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.696 5.889 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.309 7.261 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.759 7.399 -5.666 1.00 0.00 H new ATOM 900 N ALA A 58 -0.490 10.299 -2.683 1.00 0.00 N ATOM 901 CA ALA A 58 -0.733 11.721 -2.893 1.00 0.00 C ATOM 902 C ALA A 58 0.498 12.405 -3.476 1.00 0.00 C ATOM 903 O ALA A 58 0.388 13.267 -4.348 1.00 0.00 O ATOM 904 CB ALA A 58 -1.140 12.386 -1.587 1.00 0.00 C ATOM 0 H ALA A 58 -0.582 9.994 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.549 11.824 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.318 13.447 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.051 11.921 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.342 12.266 -0.854 1.00 0.00 H new ATOM 910 N ALA A 59 1.671 12.014 -2.988 1.00 0.00 N ATOM 911 CA ALA A 59 2.925 12.588 -3.462 1.00 0.00 C ATOM 912 C ALA A 59 3.153 12.263 -4.933 1.00 0.00 C ATOM 913 O ALA A 59 3.714 13.067 -5.677 1.00 0.00 O ATOM 914 CB ALA A 59 4.088 12.083 -2.621 1.00 0.00 C ATOM 0 H ALA A 59 1.779 11.303 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 59 2.863 13.671 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.018 12.520 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.936 12.370 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.144 10.997 -2.693 1.00 0.00 H new ATOM 920 N LEU A 60 2.712 11.079 -5.347 1.00 0.00 N ATOM 921 CA LEU A 60 2.867 10.648 -6.731 1.00 0.00 C ATOM 922 C LEU A 60 1.975 11.469 -7.657 1.00 0.00 C ATOM 923 O LEU A 60 2.380 11.841 -8.758 1.00 0.00 O ATOM 924 CB LEU A 60 2.530 9.161 -6.865 1.00 0.00 C ATOM 925 CG LEU A 60 2.742 8.573 -8.264 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.771 7.453 -8.225 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.426 8.066 -8.837 1.00 0.00 C ATOM 0 H LEU A 60 2.245 10.402 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 60 3.906 10.805 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.139 8.600 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.489 9.012 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 60 3.119 9.364 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.907 7.049 -9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.721 7.844 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.424 6.663 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.597 7.652 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.020 7.291 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.717 8.891 -8.905 1.00 0.00 H new ATOM 939 N ARG A 61 0.759 11.750 -7.201 1.00 0.00 N ATOM 940 CA ARG A 61 -0.191 12.529 -7.986 1.00 0.00 C ATOM 941 C ARG A 61 0.345 13.932 -8.250 1.00 0.00 C ATOM 942 O ARG A 61 0.322 14.414 -9.382 1.00 0.00 O ATOM 943 CB ARG A 61 -1.536 12.613 -7.262 1.00 0.00 C ATOM 944 CG ARG A 61 -2.675 13.093 -8.146 1.00 0.00 C ATOM 945 CD ARG A 61 -3.811 13.678 -7.323 1.00 0.00 C ATOM 946 NE ARG A 61 -4.532 12.650 -6.575 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.734 12.833 -6.034 1.00 0.00 C ATOM 948 NH1 ARG A 61 -6.353 14.001 -6.154 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.320 11.845 -5.371 1.00 0.00 N ATOM 0 H ARG A 61 0.408 11.450 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.332 12.026 -8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.786 11.630 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.439 13.287 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.304 13.845 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.048 12.261 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.412 14.418 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.505 14.200 -7.982 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.088 11.739 -6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.907 14.764 -6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.274 14.135 -5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.849 10.945 -5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.241 11.985 -4.956 1.00 0.00 H new ATOM 963 N HIS A 62 0.830 14.581 -7.196 1.00 0.00 N ATOM 964 CA HIS A 62 1.375 15.929 -7.312 1.00 0.00 C ATOM 965 C HIS A 62 2.772 15.903 -7.925 1.00 0.00 C ATOM 966 O HIS A 62 3.205 16.872 -8.549 1.00 0.00 O ATOM 967 CB HIS A 62 1.421 16.602 -5.939 1.00 0.00 C ATOM 968 CG HIS A 62 1.883 18.026 -5.985 1.00 0.00 C ATOM 969 ND1 HIS A 62 1.075 19.090 -5.643 1.00 0.00 N ATOM 970 CD2 HIS A 62 3.077 18.560 -6.336 1.00 0.00 C ATOM 971 CE1 HIS A 62 1.752 20.216 -5.782 1.00 0.00 C ATOM 972 NE2 HIS A 62 2.969 19.922 -6.201 1.00 0.00 N ATOM 0 H HIS A 62 0.857 14.195 -6.252 1.00 0.00 H new ATOM 0 HA HIS A 62 0.721 16.502 -7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.428 16.565 -5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.085 16.034 -5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.951 18.016 -6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.374 21.209 -5.586 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.709 20.597 -6.393 1.00 0.00 H new ATOM 981 N ALA A 63 3.474 14.788 -7.742 1.00 0.00 N ATOM 982 CA ALA A 63 4.824 14.634 -8.276 1.00 0.00 C ATOM 983 C ALA A 63 4.859 14.894 -9.779 1.00 0.00 C ATOM 984 O ALA A 63 5.888 15.294 -10.325 1.00 0.00 O ATOM 985 CB ALA A 63 5.356 13.243 -7.967 1.00 0.00 C ATOM 0 H ALA A 63 3.130 13.977 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 63 5.463 15.374 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.363 13.141 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.381 13.094 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.706 12.496 -8.421 1.00 0.00 H new ATOM 991 N VAL A 64 3.731 14.664 -10.445 1.00 0.00 N ATOM 992 CA VAL A 64 3.635 14.873 -11.886 1.00 0.00 C ATOM 993 C VAL A 64 4.084 16.279 -12.273 1.00 0.00 C ATOM 994 O VAL A 64 4.601 16.496 -13.369 1.00 0.00 O ATOM 995 CB VAL A 64 2.198 14.650 -12.392 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.781 13.201 -12.195 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.231 15.591 -11.688 1.00 0.00 C ATOM 0 H VAL A 64 2.870 14.333 -10.009 1.00 0.00 H new ATOM 0 HA VAL A 64 4.296 14.143 -12.353 1.00 0.00 H new ATOM 0 HB VAL A 64 2.171 14.870 -13.459 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.763 13.063 -12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.456 12.549 -12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.825 12.951 -11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.221 15.419 -12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.260 15.406 -10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.519 16.623 -11.886 1.00 0.00 H new ATOM 1007 N GLU A 65 3.885 17.230 -11.366 1.00 0.00 N ATOM 1008 CA GLU A 65 4.272 18.614 -11.613 1.00 0.00 C ATOM 1009 C GLU A 65 5.785 18.784 -11.511 1.00 0.00 C ATOM 1010 O GLU A 65 6.367 19.652 -12.161 1.00 0.00 O ATOM 1011 CB GLU A 65 3.575 19.546 -10.619 1.00 0.00 C ATOM 1012 CG GLU A 65 2.058 19.481 -10.685 1.00 0.00 C ATOM 1013 CD GLU A 65 1.396 20.032 -9.437 1.00 0.00 C ATOM 1014 OE1 GLU A 65 1.655 21.206 -9.097 1.00 0.00 O ATOM 1015 OE2 GLU A 65 0.619 19.290 -8.800 1.00 0.00 O ATOM 0 H GLU A 65 3.458 17.068 -10.454 1.00 0.00 H new ATOM 0 HA GLU A 65 3.963 18.875 -12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.898 19.293 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.895 20.571 -10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.711 20.041 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.748 18.446 -10.829 1.00 0.00 H new ATOM 1022 N GLN A 66 6.415 17.949 -10.691 1.00 0.00 N ATOM 1023 CA GLN A 66 7.861 18.007 -10.504 1.00 0.00 C ATOM 1024 C GLN A 66 8.603 17.391 -11.691 1.00 0.00 C ATOM 1025 O GLN A 66 9.830 17.446 -11.759 1.00 0.00 O ATOM 1026 CB GLN A 66 8.257 17.285 -9.214 1.00 0.00 C ATOM 1027 CG GLN A 66 9.357 17.990 -8.437 1.00 0.00 C ATOM 1028 CD GLN A 66 9.511 17.453 -7.028 1.00 0.00 C ATOM 1029 OE1 GLN A 66 9.659 16.248 -6.823 1.00 0.00 O ATOM 1030 NE2 GLN A 66 9.478 18.347 -6.047 1.00 0.00 N ATOM 0 H GLN A 66 5.948 17.225 -10.146 1.00 0.00 H new ATOM 0 HA GLN A 66 8.145 19.057 -10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.378 17.188 -8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.586 16.275 -9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.302 17.879 -8.970 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.139 19.057 -8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.353 19.336 -6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.577 18.045 -5.078 1.00 0.00 H new ATOM 1039 N GLN A 67 7.856 16.805 -12.624 1.00 0.00 N ATOM 1040 CA GLN A 67 8.454 16.182 -13.800 1.00 0.00 C ATOM 1041 C GLN A 67 9.380 15.039 -13.396 1.00 0.00 C ATOM 1042 O GLN A 67 10.437 14.841 -13.995 1.00 0.00 O ATOM 1043 CB GLN A 67 9.229 17.220 -14.616 1.00 0.00 C ATOM 1044 CG GLN A 67 8.343 18.279 -15.251 1.00 0.00 C ATOM 1045 CD GLN A 67 7.687 17.800 -16.531 1.00 0.00 C ATOM 1046 OE1 GLN A 67 8.365 17.439 -17.493 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.359 17.794 -16.548 1.00 0.00 N ATOM 0 H GLN A 67 6.838 16.749 -12.588 1.00 0.00 H new ATOM 0 HA GLN A 67 7.651 15.776 -14.414 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.958 17.708 -13.969 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.789 16.710 -15.399 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.571 18.575 -14.541 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.939 19.167 -15.463 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.837 18.102 -15.728 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.861 17.481 -17.382 1.00 0.00 H new ATOM 1056 N GLN A 68 8.974 14.291 -12.376 1.00 0.00 N ATOM 1057 CA GLN A 68 9.764 13.167 -11.888 1.00 0.00 C ATOM 1058 C GLN A 68 9.207 11.845 -12.407 1.00 0.00 C ATOM 1059 O GLN A 68 9.197 10.842 -11.693 1.00 0.00 O ATOM 1060 CB GLN A 68 9.788 13.159 -10.358 1.00 0.00 C ATOM 1061 CG GLN A 68 8.422 12.940 -9.728 1.00 0.00 C ATOM 1062 CD GLN A 68 8.511 12.402 -8.314 1.00 0.00 C ATOM 1063 OE1 GLN A 68 8.342 11.205 -8.081 1.00 0.00 O ATOM 1064 NE2 GLN A 68 8.778 13.286 -7.360 1.00 0.00 N ATOM 0 H GLN A 68 8.101 14.443 -11.871 1.00 0.00 H new ATOM 0 HA GLN A 68 10.782 13.282 -12.259 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.465 12.376 -10.018 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.194 14.107 -10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.874 13.882 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.850 12.244 -10.342 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.911 14.269 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.850 12.982 -6.389 1.00 0.00 H new ATOM 1073 N LEU A 69 8.741 11.853 -13.654 1.00 0.00 N ATOM 1074 CA LEU A 69 8.176 10.657 -14.276 1.00 0.00 C ATOM 1075 C LEU A 69 9.043 9.425 -14.010 1.00 0.00 C ATOM 1076 O LEU A 69 8.541 8.390 -13.571 1.00 0.00 O ATOM 1077 CB LEU A 69 8.014 10.872 -15.782 1.00 0.00 C ATOM 1078 CG LEU A 69 6.631 11.357 -16.220 1.00 0.00 C ATOM 1079 CD1 LEU A 69 5.559 10.366 -15.794 1.00 0.00 C ATOM 1080 CD2 LEU A 69 6.345 12.736 -15.645 1.00 0.00 C ATOM 0 H LEU A 69 8.744 12.677 -14.255 1.00 0.00 H new ATOM 0 HA LEU A 69 7.197 10.480 -13.831 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.758 11.597 -16.113 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.233 9.935 -16.293 1.00 0.00 H new ATOM 0 HG LEU A 69 6.618 11.429 -17.308 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.582 10.727 -16.114 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.756 9.397 -16.253 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.570 10.262 -14.709 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.357 13.066 -15.966 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.376 12.690 -14.556 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.097 13.441 -16.000 1.00 0.00 H new ATOM 1092 N PRO A 70 10.361 9.518 -14.268 1.00 0.00 N ATOM 1093 CA PRO A 70 11.285 8.402 -14.046 1.00 0.00 C ATOM 1094 C PRO A 70 11.174 7.833 -12.635 1.00 0.00 C ATOM 1095 O PRO A 70 11.321 6.629 -12.426 1.00 0.00 O ATOM 1096 CB PRO A 70 12.664 9.030 -14.261 1.00 0.00 C ATOM 1097 CG PRO A 70 12.416 10.197 -15.152 1.00 0.00 C ATOM 1098 CD PRO A 70 11.051 10.713 -14.789 1.00 0.00 C ATOM 0 HA PRO A 70 11.077 7.563 -14.711 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.108 9.341 -13.316 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.354 8.322 -14.720 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.175 10.966 -15.008 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.456 9.903 -16.201 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.106 11.503 -14.040 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.536 11.129 -15.655 1.00 0.00 H new ATOM 1106 N GLN A 71 10.912 8.710 -11.670 1.00 0.00 N ATOM 1107 CA GLN A 71 10.779 8.298 -10.277 1.00 0.00 C ATOM 1108 C GLN A 71 9.412 7.668 -10.021 1.00 0.00 C ATOM 1109 O GLN A 71 9.258 6.845 -9.118 1.00 0.00 O ATOM 1110 CB GLN A 71 10.984 9.498 -9.349 1.00 0.00 C ATOM 1111 CG GLN A 71 12.389 9.590 -8.776 1.00 0.00 C ATOM 1112 CD GLN A 71 13.405 10.066 -9.796 1.00 0.00 C ATOM 1113 OE1 GLN A 71 14.362 9.361 -10.112 1.00 0.00 O ATOM 1114 NE2 GLN A 71 13.200 11.270 -10.317 1.00 0.00 N ATOM 0 H GLN A 71 10.788 9.710 -11.828 1.00 0.00 H new ATOM 0 HA GLN A 71 11.545 7.551 -10.070 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.764 10.413 -9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.269 9.439 -8.528 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.387 10.272 -7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.689 8.612 -8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.392 11.821 -10.026 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.850 11.644 -11.008 1.00 0.00 H new ATOM 1123 N VAL A 72 8.423 8.058 -10.820 1.00 0.00 N ATOM 1124 CA VAL A 72 7.070 7.529 -10.677 1.00 0.00 C ATOM 1125 C VAL A 72 7.067 6.005 -10.755 1.00 0.00 C ATOM 1126 O VAL A 72 6.250 5.343 -10.115 1.00 0.00 O ATOM 1127 CB VAL A 72 6.127 8.094 -11.758 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.710 7.575 -11.560 1.00 0.00 C ATOM 1129 CG2 VAL A 72 6.149 9.615 -11.744 1.00 0.00 C ATOM 0 H VAL A 72 8.533 8.738 -11.572 1.00 0.00 H new ATOM 0 HA VAL A 72 6.709 7.840 -9.697 1.00 0.00 H new ATOM 0 HB VAL A 72 6.480 7.755 -12.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.061 7.986 -12.333 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.709 6.487 -11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.344 7.880 -10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.478 9.996 -12.514 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.823 9.975 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.162 9.966 -11.940 1.00 0.00 H new ATOM 1139 N ALA A 73 7.989 5.456 -11.539 1.00 0.00 N ATOM 1140 CA ALA A 73 8.093 4.011 -11.695 1.00 0.00 C ATOM 1141 C ALA A 73 8.423 3.344 -10.365 1.00 0.00 C ATOM 1142 O ALA A 73 7.876 2.292 -10.033 1.00 0.00 O ATOM 1143 CB ALA A 73 9.146 3.668 -12.738 1.00 0.00 C ATOM 0 H ALA A 73 8.673 5.989 -12.075 1.00 0.00 H new ATOM 0 HA ALA A 73 7.129 3.633 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.213 2.585 -12.845 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.868 4.110 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.112 4.062 -12.423 1.00 0.00 H new ATOM 1149 N TRP A 74 9.319 3.967 -9.605 1.00 0.00 N ATOM 1150 CA TRP A 74 9.720 3.438 -8.307 1.00 0.00 C ATOM 1151 C TRP A 74 8.566 3.511 -7.314 1.00 0.00 C ATOM 1152 O TRP A 74 8.282 2.547 -6.603 1.00 0.00 O ATOM 1153 CB TRP A 74 10.924 4.213 -7.767 1.00 0.00 C ATOM 1154 CG TRP A 74 11.771 3.414 -6.825 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.158 2.113 -6.972 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.337 3.864 -5.589 1.00 0.00 C ATOM 1157 NE1 TRP A 74 12.930 1.727 -5.903 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.054 2.784 -5.040 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.307 5.076 -4.892 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 13.734 2.880 -3.829 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.983 5.170 -3.690 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.688 4.078 -3.169 1.00 0.00 C ATOM 0 H TRP A 74 9.781 4.838 -9.866 1.00 0.00 H new ATOM 0 HA TRP A 74 10.000 2.393 -8.437 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.538 4.545 -8.604 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.571 5.109 -7.256 1.00 0.00 H new ATOM 0 HD1 TRP A 74 11.896 1.480 -7.807 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.344 0.804 -5.773 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.765 5.923 -5.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.278 2.039 -3.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.967 6.101 -3.143 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.206 4.183 -2.227 1.00 0.00 H new ATOM 1173 N LEU A 75 7.901 4.662 -7.273 1.00 0.00 N ATOM 1174 CA LEU A 75 6.774 4.860 -6.370 1.00 0.00 C ATOM 1175 C LEU A 75 5.657 3.868 -6.674 1.00 0.00 C ATOM 1176 O LEU A 75 5.043 3.310 -5.765 1.00 0.00 O ATOM 1177 CB LEU A 75 6.246 6.292 -6.484 1.00 0.00 C ATOM 1178 CG LEU A 75 7.093 7.352 -5.777 1.00 0.00 C ATOM 1179 CD1 LEU A 75 8.108 7.951 -6.738 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.205 8.440 -5.191 1.00 0.00 C ATOM 0 H LEU A 75 8.123 5.470 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 75 7.121 4.690 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.172 6.553 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.236 6.324 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 75 7.634 6.873 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.702 8.703 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.764 7.165 -7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.587 8.415 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.824 9.185 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.637 8.916 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.517 7.999 -4.470 1.00 0.00 H new ATOM 1192 N ALA A 76 5.401 3.650 -7.960 1.00 0.00 N ATOM 1193 CA ALA A 76 4.361 2.722 -8.385 1.00 0.00 C ATOM 1194 C ALA A 76 4.658 1.310 -7.894 1.00 0.00 C ATOM 1195 O ALA A 76 3.773 0.618 -7.391 1.00 0.00 O ATOM 1196 CB ALA A 76 4.225 2.739 -9.900 1.00 0.00 C ATOM 0 H ALA A 76 5.900 4.104 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 76 3.417 3.043 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.445 2.041 -10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.962 3.744 -10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.171 2.444 -10.354 1.00 0.00 H new ATOM 1202 N GLU A 77 5.910 0.890 -8.041 1.00 0.00 N ATOM 1203 CA GLU A 77 6.326 -0.439 -7.609 1.00 0.00 C ATOM 1204 C GLU A 77 6.117 -0.609 -6.108 1.00 0.00 C ATOM 1205 O GLU A 77 5.650 -1.652 -5.649 1.00 0.00 O ATOM 1206 CB GLU A 77 7.795 -0.679 -7.962 1.00 0.00 C ATOM 1207 CG GLU A 77 8.205 -2.141 -7.897 1.00 0.00 C ATOM 1208 CD GLU A 77 9.111 -2.442 -6.719 1.00 0.00 C ATOM 1209 OE1 GLU A 77 8.813 -1.964 -5.604 1.00 0.00 O ATOM 1210 OE2 GLU A 77 10.118 -3.155 -6.911 1.00 0.00 O ATOM 0 H GLU A 77 6.654 1.451 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 77 5.712 -1.173 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.985 -0.301 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.422 -0.104 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.312 -2.762 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.715 -2.413 -8.821 1.00 0.00 H new ATOM 1217 N HIS A 78 6.463 0.425 -5.347 1.00 0.00 N ATOM 1218 CA HIS A 78 6.311 0.392 -3.898 1.00 0.00 C ATOM 1219 C HIS A 78 4.836 0.350 -3.511 1.00 0.00 C ATOM 1220 O HIS A 78 4.444 -0.379 -2.600 1.00 0.00 O ATOM 1221 CB HIS A 78 6.983 1.612 -3.265 1.00 0.00 C ATOM 1222 CG HIS A 78 7.694 1.307 -1.983 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.796 2.012 -1.547 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.455 0.365 -1.039 1.00 0.00 C ATOM 1225 CE1 HIS A 78 9.204 1.517 -0.392 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.407 0.518 -0.062 1.00 0.00 N ATOM 0 H HIS A 78 6.850 1.296 -5.711 1.00 0.00 H new ATOM 0 HA HIS A 78 6.794 -0.512 -3.525 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.695 2.033 -3.975 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.229 2.376 -3.079 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.229 2.794 -2.039 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.663 -0.369 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.047 1.870 0.184 1.00 0.00 H new ATOM 1235 N LEU A 79 4.024 1.135 -4.212 1.00 0.00 N ATOM 1236 CA LEU A 79 2.592 1.185 -3.945 1.00 0.00 C ATOM 1237 C LEU A 79 1.933 -0.148 -4.282 1.00 0.00 C ATOM 1238 O LEU A 79 1.120 -0.663 -3.514 1.00 0.00 O ATOM 1239 CB LEU A 79 1.940 2.310 -4.752 1.00 0.00 C ATOM 1240 CG LEU A 79 1.861 3.659 -4.036 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.845 4.798 -5.044 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.630 3.717 -3.144 1.00 0.00 C ATOM 0 H LEU A 79 4.334 1.745 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 79 2.450 1.383 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.497 2.441 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.931 2.002 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 79 2.746 3.769 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.789 5.750 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.756 4.768 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.979 4.693 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.590 4.684 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.266 3.585 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.683 2.923 -2.399 1.00 0.00 H new ATOM 1254 N ALA A 80 2.292 -0.703 -5.435 1.00 0.00 N ATOM 1255 CA ALA A 80 1.739 -1.978 -5.874 1.00 0.00 C ATOM 1256 C ALA A 80 2.107 -3.095 -4.905 1.00 0.00 C ATOM 1257 O ALA A 80 1.281 -3.949 -4.582 1.00 0.00 O ATOM 1258 CB ALA A 80 2.227 -2.311 -7.276 1.00 0.00 C ATOM 0 H ALA A 80 2.963 -0.289 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 80 0.653 -1.889 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.806 -3.266 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.910 -1.530 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.315 -2.376 -7.277 1.00 0.00 H new ATOM 1264 N ALA A 81 3.352 -3.081 -4.441 1.00 0.00 N ATOM 1265 CA ALA A 81 3.830 -4.091 -3.506 1.00 0.00 C ATOM 1266 C ALA A 81 3.112 -3.977 -2.166 1.00 0.00 C ATOM 1267 O ALA A 81 2.816 -4.982 -1.521 1.00 0.00 O ATOM 1268 CB ALA A 81 5.334 -3.963 -3.314 1.00 0.00 C ATOM 0 H ALA A 81 4.048 -2.381 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 81 3.612 -5.073 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.677 -4.724 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.836 -4.099 -4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.568 -2.974 -2.919 1.00 0.00 H new ATOM 1274 N GLN A 82 2.831 -2.744 -1.755 1.00 0.00 N ATOM 1275 CA GLN A 82 2.144 -2.498 -0.494 1.00 0.00 C ATOM 1276 C GLN A 82 0.745 -3.105 -0.514 1.00 0.00 C ATOM 1277 O GLN A 82 0.354 -3.820 0.409 1.00 0.00 O ATOM 1278 CB GLN A 82 2.061 -0.994 -0.219 1.00 0.00 C ATOM 1279 CG GLN A 82 2.865 -0.552 0.992 1.00 0.00 C ATOM 1280 CD GLN A 82 3.479 0.823 0.815 1.00 0.00 C ATOM 1281 OE1 GLN A 82 4.232 1.062 -0.129 1.00 0.00 O ATOM 1282 NE2 GLN A 82 3.159 1.736 1.724 1.00 0.00 N ATOM 0 H GLN A 82 3.069 -1.901 -2.277 1.00 0.00 H new ATOM 0 HA GLN A 82 2.715 -2.972 0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.414 -0.453 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.017 -0.717 -0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.219 -0.547 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.656 -1.277 1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.531 1.494 2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.541 2.679 1.656 1.00 0.00 H new ATOM 1291 N LEU A 83 -0.004 -2.817 -1.573 1.00 0.00 N ATOM 1292 CA LEU A 83 -1.359 -3.336 -1.716 1.00 0.00 C ATOM 1293 C LEU A 83 -1.355 -4.862 -1.725 1.00 0.00 C ATOM 1294 O LEU A 83 -2.184 -5.499 -1.076 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.999 -2.805 -3.002 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.992 -1.657 -2.805 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -2.866 -0.641 -3.930 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -4.414 -2.191 -2.724 1.00 0.00 C ATOM 0 H LEU A 83 0.305 -2.227 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.946 -2.997 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.207 -2.470 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.512 -3.627 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.758 -1.157 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.580 0.167 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.855 -0.235 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.073 -1.127 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.107 -1.361 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.659 -2.716 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.497 -2.879 -1.883 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.413 -5.440 -2.463 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.298 -6.891 -2.555 1.00 0.00 C ATOM 1312 C GLU A 84 0.144 -7.484 -1.222 1.00 0.00 C ATOM 1313 O GLU A 84 -0.315 -8.556 -0.825 1.00 0.00 O ATOM 1314 CB GLU A 84 0.694 -7.277 -3.654 1.00 0.00 C ATOM 1315 CG GLU A 84 0.221 -6.918 -5.053 1.00 0.00 C ATOM 1316 CD GLU A 84 0.611 -7.958 -6.085 1.00 0.00 C ATOM 1317 OE1 GLU A 84 1.814 -8.283 -6.175 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -0.285 -8.447 -6.804 1.00 0.00 O ATOM 0 H GLU A 84 0.281 -4.926 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.279 -7.295 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.646 -6.782 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.878 -8.350 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.863 -6.805 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.641 -5.953 -5.338 1.00 0.00 H new ATOM 1325 N ALA A 85 1.035 -6.779 -0.532 1.00 0.00 N ATOM 1326 CA ALA A 85 1.537 -7.235 0.758 1.00 0.00 C ATOM 1327 C ALA A 85 0.409 -7.336 1.778 1.00 0.00 C ATOM 1328 O ALA A 85 0.320 -8.311 2.525 1.00 0.00 O ATOM 1329 CB ALA A 85 2.625 -6.298 1.262 1.00 0.00 C ATOM 0 H ALA A 85 1.424 -5.890 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 85 1.963 -8.229 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.991 -6.651 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.448 -6.278 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.217 -5.294 1.374 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.453 -6.325 1.803 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.577 -6.302 2.730 1.00 0.00 C ATOM 1337 C ILE A 86 -2.557 -7.430 2.424 1.00 0.00 C ATOM 1338 O ILE A 86 -3.043 -8.107 3.329 1.00 0.00 O ATOM 1339 CB ILE A 86 -2.326 -4.955 2.678 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -1.347 -3.794 2.859 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -3.412 -4.908 3.743 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -1.748 -2.543 2.108 1.00 0.00 C ATOM 0 H ILE A 86 -0.394 -5.511 1.191 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.167 -6.438 3.731 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.799 -4.859 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.265 -3.560 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.358 -4.108 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.930 -3.951 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.124 -5.716 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.961 -5.024 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.009 -1.761 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.802 -2.761 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.723 -2.205 2.459 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.840 -7.628 1.140 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.759 -8.676 0.713 1.00 0.00 C ATOM 1356 C ALA A 87 -3.192 -10.057 1.021 1.00 0.00 C ATOM 1357 O ALA A 87 -3.917 -10.956 1.448 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.055 -8.543 -0.773 1.00 0.00 C ATOM 0 H ALA A 87 -2.446 -7.076 0.378 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.690 -8.561 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.742 -9.332 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.508 -7.571 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.127 -8.631 -1.338 1.00 0.00 H new ATOM 1364 N ARG A 88 -1.891 -10.219 0.803 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.225 -11.490 1.059 1.00 0.00 C ATOM 1366 C ARG A 88 -1.160 -11.776 2.556 1.00 0.00 C ATOM 1367 O ARG A 88 -1.355 -12.911 2.990 1.00 0.00 O ATOM 1368 CB ARG A 88 0.186 -11.480 0.464 1.00 0.00 C ATOM 1369 CG ARG A 88 0.417 -12.571 -0.571 1.00 0.00 C ATOM 1370 CD ARG A 88 1.357 -13.647 -0.049 1.00 0.00 C ATOM 1371 NE ARG A 88 0.631 -14.809 0.457 1.00 0.00 N ATOM 1372 CZ ARG A 88 1.163 -15.719 1.269 1.00 0.00 C ATOM 1373 NH1 ARG A 88 2.424 -15.607 1.668 1.00 0.00 N ATOM 1374 NH2 ARG A 88 0.433 -16.746 1.683 1.00 0.00 N ATOM 0 H ARG A 88 -1.277 -9.485 0.449 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.805 -12.280 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.371 -10.509 0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.912 -11.595 1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.537 -13.022 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.833 -12.131 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.030 -13.959 -0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.977 -13.232 0.746 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.341 -14.930 0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.991 -14.820 1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.826 -16.308 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.536 -16.838 1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.841 -17.444 2.305 1.00 0.00 H new ATOM 1388 N GLU A 89 -0.886 -10.738 3.339 1.00 0.00 N ATOM 1389 CA GLU A 89 -0.796 -10.876 4.787 1.00 0.00 C ATOM 1390 C GLU A 89 -2.158 -11.214 5.386 1.00 0.00 C ATOM 1391 O GLU A 89 -2.281 -12.140 6.189 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.254 -9.587 5.411 1.00 0.00 C ATOM 1393 CG GLU A 89 1.222 -9.657 5.766 1.00 0.00 C ATOM 1394 CD GLU A 89 2.121 -9.383 4.577 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.349 -8.195 4.266 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.599 -10.356 3.957 1.00 0.00 O ATOM 0 H GLU A 89 -0.722 -9.792 2.995 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.110 -11.693 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.413 -8.762 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.825 -9.361 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.437 -8.935 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.449 -10.644 6.168 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.178 -10.459 4.990 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.531 -10.680 5.487 1.00 0.00 C ATOM 1405 C ALA A 90 -5.000 -12.101 5.191 1.00 0.00 C ATOM 1406 O ALA A 90 -5.614 -12.751 6.036 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.488 -9.668 4.876 1.00 0.00 C ATOM 0 H ALA A 90 -3.093 -9.689 4.326 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.521 -10.548 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.495 -9.844 5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.171 -8.660 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.485 -9.774 3.791 1.00 0.00 H new