USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 885 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 34 GLN : amide:sc= -5.13! X(o=-5.4!,f=-5.2) USER MOD Set 1.2: A 79 SER OG : rot 111:sc= -0.285! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.883 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 24 SER OG : rot 144:sc= 1.06 USER MOD Single : A 27 SER OG : rot -79:sc= 0.106 USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= -0.0085 (180deg=-0.403) USER MOD Single : A 29 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.6) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0132) USER MOD Single : A 44 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.149 (180deg=-0.723) USER MOD Single : A 50 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0857) USER MOD Single : A 51 MET CE :methyl -161:sc= -2.03! (180deg=-2.66!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.89 K(o=-1.9,f=-3.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.236 USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= -1.8! (180deg=-2.39!) USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00478) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 157:sc= -0.271 (180deg=-1.21) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.798 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.00994) USER MOD Single : A 82 THR OG1 : rot -100:sc= -1.01 USER MOD Single : A 83 SER OG : rot -45:sc= -1.87! USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 87 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 92 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -110:sc= -1.08 USER MOD Single : A 103 SER OG : rot 76:sc= 0.016 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 76:sc= 0.0229 USER MOD Single : A 108 MET CE :methyl -170:sc= -1.99 (180deg=-2.49) USER MOD Single : A 109 MET CE :methyl -137:sc= -1.23 (180deg=-5.35!) USER MOD Single : A 110 SER OG : rot -67:sc= 1.21 USER MOD Single : A 112 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-11!) USER MOD Single : B 9 SER OG : rot -165:sc= 0.642 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.692 -12.246 -5.169 1.00 0.00 N ATOM 223 CA ILE A 14 1.863 -11.318 -4.903 1.00 0.00 C ATOM 224 C ILE A 14 1.375 -9.921 -4.459 1.00 0.00 C ATOM 225 O ILE A 14 2.024 -9.266 -3.666 1.00 0.00 O ATOM 226 CB ILE A 14 2.655 -11.212 -6.226 1.00 0.00 C ATOM 227 CG1 ILE A 14 3.861 -10.274 -6.046 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.753 -10.655 -7.331 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.792 -10.812 -4.953 1.00 0.00 C ATOM 0 HA ILE A 14 2.485 -11.709 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 14 3.004 -12.207 -6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.405 -10.185 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.517 -9.274 -5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.318 -10.583 -8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.901 -11.320 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.397 -9.665 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.642 -10.139 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.248 -10.877 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.150 -11.802 -5.235 1.00 0.00 H new ATOM 241 N GLU A 15 0.233 -9.462 -4.947 1.00 0.00 N ATOM 242 CA GLU A 15 -0.273 -8.103 -4.514 1.00 0.00 C ATOM 243 C GLU A 15 -0.330 -8.034 -2.977 1.00 0.00 C ATOM 244 O GLU A 15 -0.042 -7.007 -2.395 1.00 0.00 O ATOM 245 CB GLU A 15 -1.682 -7.929 -5.111 1.00 0.00 C ATOM 246 CG GLU A 15 -1.610 -7.007 -6.333 1.00 0.00 C ATOM 247 CD GLU A 15 -1.564 -7.848 -7.611 1.00 0.00 C ATOM 248 OE1 GLU A 15 -0.791 -8.790 -7.648 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.303 -7.534 -8.529 1.00 0.00 O ATOM 0 H GLU A 15 -0.360 -9.958 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 15 0.389 -7.310 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.089 -8.899 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.355 -7.508 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.476 -6.345 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.725 -6.373 -6.271 1.00 0.00 H new ATOM 256 N GLY A 16 -0.672 -9.121 -2.314 1.00 0.00 N ATOM 257 CA GLY A 16 -0.701 -9.098 -0.820 1.00 0.00 C ATOM 258 C GLY A 16 0.744 -9.003 -0.309 1.00 0.00 C ATOM 259 O GLY A 16 1.024 -8.280 0.630 1.00 0.00 O ATOM 0 H GLY A 16 -0.929 -10.011 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.285 -8.249 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.181 -9.998 -0.436 1.00 0.00 H new ATOM 263 N ARG A 17 1.673 -9.709 -0.931 1.00 0.00 N ATOM 264 CA ARG A 17 3.109 -9.624 -0.474 1.00 0.00 C ATOM 265 C ARG A 17 3.597 -8.164 -0.498 1.00 0.00 C ATOM 266 O ARG A 17 4.479 -7.803 0.254 1.00 0.00 O ATOM 267 CB ARG A 17 3.937 -10.473 -1.453 1.00 0.00 C ATOM 268 CG ARG A 17 4.003 -11.916 -0.950 1.00 0.00 C ATOM 269 CD ARG A 17 4.579 -12.813 -2.048 1.00 0.00 C ATOM 270 NE ARG A 17 4.992 -14.060 -1.346 1.00 0.00 N ATOM 271 CZ ARG A 17 4.419 -15.195 -1.639 1.00 0.00 C ATOM 272 NH1 ARG A 17 3.139 -15.351 -1.436 1.00 0.00 N ATOM 273 NH2 ARG A 17 5.124 -16.174 -2.136 1.00 0.00 N ATOM 0 H ARG A 17 1.503 -10.330 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 17 3.212 -9.988 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.488 -10.443 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.943 -10.063 -1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.624 -11.973 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.008 -12.260 -0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.837 -13.021 -2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.427 -12.338 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 17 5.723 -14.027 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.587 -14.586 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.691 -16.238 -1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.124 -16.052 -2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.675 -17.061 -2.365 1.00 0.00 H new ATOM 287 N TYR A 18 3.040 -7.309 -1.345 1.00 0.00 N ATOM 288 CA TYR A 18 3.507 -5.871 -1.367 1.00 0.00 C ATOM 289 C TYR A 18 3.342 -5.264 0.031 1.00 0.00 C ATOM 290 O TYR A 18 4.266 -4.687 0.573 1.00 0.00 O ATOM 291 CB TYR A 18 2.604 -5.112 -2.361 1.00 0.00 C ATOM 292 CG TYR A 18 3.285 -4.937 -3.700 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.986 -5.997 -4.292 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.192 -3.706 -4.358 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.597 -5.819 -5.540 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.798 -3.530 -5.604 1.00 0.00 C ATOM 297 CZ TYR A 18 4.502 -4.586 -6.197 1.00 0.00 C ATOM 298 OH TYR A 18 5.100 -4.412 -7.427 1.00 0.00 O ATOM 0 H TYR A 18 2.299 -7.539 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 18 4.554 -5.805 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.669 -5.656 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.348 -4.135 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.055 -6.949 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.651 -2.890 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.141 -6.633 -5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.724 -2.579 -6.111 1.00 0.00 H new ATOM 0 HH TYR A 18 4.937 -3.499 -7.744 1.00 0.00 H new ATOM 308 N ALA A 19 2.177 -5.410 0.628 1.00 0.00 N ATOM 309 CA ALA A 19 1.985 -4.850 2.008 1.00 0.00 C ATOM 310 C ALA A 19 2.764 -5.711 3.012 1.00 0.00 C ATOM 311 O ALA A 19 3.321 -5.199 3.965 1.00 0.00 O ATOM 312 CB ALA A 19 0.480 -4.894 2.321 1.00 0.00 C ATOM 0 H ALA A 19 1.367 -5.883 0.228 1.00 0.00 H new ATOM 0 HA ALA A 19 2.351 -3.825 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.304 -4.493 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.062 -4.295 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.129 -5.925 2.277 1.00 0.00 H new ATOM 318 N THR A 20 2.816 -7.017 2.808 1.00 0.00 N ATOM 319 CA THR A 20 3.578 -7.879 3.772 1.00 0.00 C ATOM 320 C THR A 20 5.082 -7.591 3.669 1.00 0.00 C ATOM 321 O THR A 20 5.779 -7.624 4.668 1.00 0.00 O ATOM 322 CB THR A 20 3.268 -9.342 3.421 1.00 0.00 C ATOM 323 OG1 THR A 20 2.098 -9.395 2.611 1.00 0.00 O ATOM 324 CG2 THR A 20 3.036 -10.129 4.714 1.00 0.00 C ATOM 0 H THR A 20 2.373 -7.509 2.032 1.00 0.00 H new ATOM 0 HA THR A 20 3.282 -7.670 4.800 1.00 0.00 H new ATOM 0 HB THR A 20 4.105 -9.777 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.899 -10.327 2.384 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.815 -11.169 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.931 -10.083 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.196 -9.697 5.257 1.00 0.00 H new ATOM 332 N ALA A 21 5.596 -7.276 2.492 1.00 0.00 N ATOM 333 CA ALA A 21 7.061 -6.954 2.400 1.00 0.00 C ATOM 334 C ALA A 21 7.328 -5.508 2.868 1.00 0.00 C ATOM 335 O ALA A 21 8.469 -5.122 3.044 1.00 0.00 O ATOM 336 CB ALA A 21 7.461 -7.127 0.927 1.00 0.00 C ATOM 0 H ALA A 21 5.077 -7.230 1.615 1.00 0.00 H new ATOM 0 HA ALA A 21 7.646 -7.613 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.521 -6.903 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.270 -8.154 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.876 -6.446 0.309 1.00 0.00 H new ATOM 342 N LEU A 22 6.298 -4.709 3.102 1.00 0.00 N ATOM 343 CA LEU A 22 6.534 -3.311 3.589 1.00 0.00 C ATOM 344 C LEU A 22 6.341 -3.279 5.101 1.00 0.00 C ATOM 345 O LEU A 22 7.132 -2.683 5.810 1.00 0.00 O ATOM 346 CB LEU A 22 5.498 -2.424 2.886 1.00 0.00 C ATOM 347 CG LEU A 22 5.686 -0.965 3.322 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.474 -0.204 2.253 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.317 -0.306 3.511 1.00 0.00 C ATOM 0 H LEU A 22 5.319 -4.967 2.977 1.00 0.00 H new ATOM 0 HA LEU A 22 7.542 -2.960 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.607 -2.508 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.491 -2.760 3.132 1.00 0.00 H new ATOM 0 HG LEU A 22 6.236 -0.939 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.605 0.832 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.451 -0.670 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.928 -0.231 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.452 0.730 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.766 -0.335 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.757 -0.843 4.276 1.00 0.00 H new ATOM 361 N TYR A 23 5.326 -3.943 5.613 1.00 0.00 N ATOM 362 CA TYR A 23 5.152 -3.957 7.087 1.00 0.00 C ATOM 363 C TYR A 23 6.227 -4.878 7.728 1.00 0.00 C ATOM 364 O TYR A 23 6.430 -4.817 8.921 1.00 0.00 O ATOM 365 CB TYR A 23 3.683 -4.400 7.367 1.00 0.00 C ATOM 366 CG TYR A 23 3.623 -5.730 8.071 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.937 -5.801 9.422 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.281 -6.877 7.368 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.917 -7.026 10.083 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.254 -8.109 8.014 1.00 0.00 C ATOM 371 CZ TYR A 23 3.577 -8.192 9.381 1.00 0.00 C ATOM 372 OH TYR A 23 3.570 -9.413 10.030 1.00 0.00 O ATOM 0 H TYR A 23 4.629 -4.463 5.079 1.00 0.00 H new ATOM 0 HA TYR A 23 5.302 -2.977 7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.185 -3.644 7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.137 -4.462 6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.198 -4.903 9.962 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.036 -6.813 6.318 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.163 -7.079 11.133 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.985 -9.001 7.467 1.00 0.00 H new ATOM 0 HH TYR A 23 3.311 -10.117 9.399 1.00 0.00 H new ATOM 382 N SER A 24 6.938 -5.716 6.961 1.00 0.00 N ATOM 383 CA SER A 24 8.007 -6.585 7.599 1.00 0.00 C ATOM 384 C SER A 24 8.922 -5.692 8.451 1.00 0.00 C ATOM 385 O SER A 24 9.255 -6.028 9.573 1.00 0.00 O ATOM 386 CB SER A 24 8.801 -7.234 6.456 1.00 0.00 C ATOM 387 OG SER A 24 9.406 -6.218 5.667 1.00 0.00 O ATOM 0 H SER A 24 6.824 -5.829 5.954 1.00 0.00 H new ATOM 0 HA SER A 24 7.577 -7.354 8.241 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.564 -7.899 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.140 -7.844 5.840 1.00 0.00 H new ATOM 0 HG SER A 24 10.286 -6.522 5.362 1.00 0.00 H new ATOM 393 N ALA A 25 9.263 -4.518 7.953 1.00 0.00 N ATOM 394 CA ALA A 25 10.075 -3.574 8.784 1.00 0.00 C ATOM 395 C ALA A 25 9.134 -2.998 9.854 1.00 0.00 C ATOM 396 O ALA A 25 9.498 -2.868 11.006 1.00 0.00 O ATOM 397 CB ALA A 25 10.579 -2.465 7.847 1.00 0.00 C ATOM 0 H ALA A 25 9.016 -4.182 7.022 1.00 0.00 H new ATOM 0 HA ALA A 25 10.926 -4.054 9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.178 -1.753 8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.190 -2.905 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.728 -1.950 7.402 1.00 0.00 H new ATOM 403 N ALA A 26 7.902 -2.672 9.481 1.00 0.00 N ATOM 404 CA ALA A 26 6.924 -2.131 10.498 1.00 0.00 C ATOM 405 C ALA A 26 6.802 -3.105 11.684 1.00 0.00 C ATOM 406 O ALA A 26 6.788 -2.691 12.828 1.00 0.00 O ATOM 407 CB ALA A 26 5.565 -2.024 9.783 1.00 0.00 C ATOM 0 H ALA A 26 7.539 -2.757 8.531 1.00 0.00 H new ATOM 0 HA ALA A 26 7.254 -1.166 10.883 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.819 -1.636 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.654 -1.350 8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.259 -3.010 9.434 1.00 0.00 H new ATOM 413 N SER A 27 6.722 -4.396 11.421 1.00 0.00 N ATOM 414 CA SER A 27 6.608 -5.384 12.558 1.00 0.00 C ATOM 415 C SER A 27 7.846 -5.259 13.462 1.00 0.00 C ATOM 416 O SER A 27 7.741 -5.294 14.673 1.00 0.00 O ATOM 417 CB SER A 27 6.550 -6.792 11.931 1.00 0.00 C ATOM 418 OG SER A 27 7.839 -7.395 11.980 1.00 0.00 O ATOM 0 H SER A 27 6.730 -4.804 10.486 1.00 0.00 H new ATOM 0 HA SER A 27 5.719 -5.197 13.161 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.829 -7.409 12.467 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.208 -6.726 10.898 1.00 0.00 H new ATOM 0 HG SER A 27 8.394 -7.041 11.254 1.00 0.00 H new ATOM 424 N LYS A 28 9.021 -5.115 12.877 1.00 0.00 N ATOM 425 CA LYS A 28 10.265 -4.990 13.717 1.00 0.00 C ATOM 426 C LYS A 28 10.133 -3.841 14.730 1.00 0.00 C ATOM 427 O LYS A 28 10.717 -3.901 15.798 1.00 0.00 O ATOM 428 CB LYS A 28 11.430 -4.707 12.754 1.00 0.00 C ATOM 429 CG LYS A 28 12.083 -6.027 12.338 1.00 0.00 C ATOM 430 CD LYS A 28 12.962 -5.798 11.107 1.00 0.00 C ATOM 431 CE LYS A 28 14.173 -4.947 11.495 1.00 0.00 C ATOM 432 NZ LYS A 28 15.092 -5.884 12.200 1.00 0.00 N ATOM 0 H LYS A 28 9.171 -5.079 11.869 1.00 0.00 H new ATOM 0 HA LYS A 28 10.431 -5.906 14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.067 -4.176 11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.165 -4.062 13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.683 -6.422 13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.317 -6.770 12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.291 -6.754 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.389 -5.299 10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.649 -4.514 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.883 -4.118 12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.323 -5.503 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.630 -6.810 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.966 -5.995 11.647 1.00 0.00 H new ATOM 446 N GLN A 29 9.382 -2.794 14.424 1.00 0.00 N ATOM 447 CA GLN A 29 9.255 -1.680 15.403 1.00 0.00 C ATOM 448 C GLN A 29 7.828 -1.610 15.963 1.00 0.00 C ATOM 449 O GLN A 29 7.559 -2.140 17.025 1.00 0.00 O ATOM 450 CB GLN A 29 9.657 -0.413 14.635 1.00 0.00 C ATOM 451 CG GLN A 29 11.171 -0.411 14.402 1.00 0.00 C ATOM 452 CD GLN A 29 11.478 0.160 13.011 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.849 -0.214 12.042 1.00 0.00 O ATOM 454 NE2 GLN A 29 12.422 1.057 12.865 1.00 0.00 N ATOM 0 H GLN A 29 8.866 -2.675 13.552 1.00 0.00 H new ATOM 0 HA GLN A 29 9.895 -1.815 16.275 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.132 -0.372 13.681 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.364 0.474 15.198 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.666 0.186 15.168 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.563 -1.425 14.485 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.953 1.375 13.676 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.625 1.438 11.941 1.00 0.00 H new ATOM 463 N ASN A 30 6.906 -0.973 15.277 1.00 0.00 N ATOM 464 CA ASN A 30 5.497 -0.892 15.802 1.00 0.00 C ATOM 465 C ASN A 30 4.604 -0.162 14.793 1.00 0.00 C ATOM 466 O ASN A 30 3.806 0.680 15.163 1.00 0.00 O ATOM 467 CB ASN A 30 5.575 -0.086 17.108 1.00 0.00 C ATOM 468 CG ASN A 30 4.564 -0.647 18.116 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.581 -0.003 18.421 1.00 0.00 O ATOM 470 ND2 ASN A 30 4.761 -1.827 18.650 1.00 0.00 N ATOM 0 H ASN A 30 7.063 -0.508 14.383 1.00 0.00 H new ATOM 0 HA ASN A 30 5.074 -1.883 15.967 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.583 -0.138 17.520 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.364 0.965 16.912 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.090 -2.202 19.320 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.586 -2.371 18.396 1.00 0.00 H new ATOM 477 N LYS A 31 4.746 -0.461 13.518 1.00 0.00 N ATOM 478 CA LYS A 31 3.903 0.256 12.505 1.00 0.00 C ATOM 479 C LYS A 31 2.747 -0.611 11.954 1.00 0.00 C ATOM 480 O LYS A 31 2.051 -0.178 11.056 1.00 0.00 O ATOM 481 CB LYS A 31 4.861 0.662 11.385 1.00 0.00 C ATOM 482 CG LYS A 31 5.428 2.052 11.678 1.00 0.00 C ATOM 483 CD LYS A 31 6.775 1.916 12.391 1.00 0.00 C ATOM 484 CE LYS A 31 7.678 3.089 12.009 1.00 0.00 C ATOM 485 NZ LYS A 31 8.942 2.864 12.762 1.00 0.00 N ATOM 0 H LYS A 31 5.394 -1.154 13.143 1.00 0.00 H new ATOM 0 HA LYS A 31 3.413 1.114 12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.671 -0.063 11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.339 0.665 10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.551 2.609 10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.732 2.617 12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.626 1.895 13.471 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.250 0.974 12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.858 3.115 10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.222 4.042 12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.613 3.630 12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.741 2.851 13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.357 1.953 12.480 1.00 0.00 H new ATOM 499 N LEU A 32 2.504 -1.809 12.479 1.00 0.00 N ATOM 500 CA LEU A 32 1.346 -2.643 11.962 1.00 0.00 C ATOM 501 C LEU A 32 0.070 -1.789 11.934 1.00 0.00 C ATOM 502 O LEU A 32 -0.678 -1.823 10.978 1.00 0.00 O ATOM 503 CB LEU A 32 1.189 -3.812 12.958 1.00 0.00 C ATOM 504 CG LEU A 32 2.064 -5.002 12.535 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.463 -5.635 11.281 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.502 -4.544 12.254 1.00 0.00 C ATOM 0 H LEU A 32 3.047 -2.237 13.229 1.00 0.00 H new ATOM 0 HA LEU A 32 1.523 -3.007 10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.470 -3.485 13.959 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.144 -4.120 13.005 1.00 0.00 H new ATOM 0 HG LEU A 32 2.093 -5.733 13.343 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.076 -6.481 10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.451 -5.979 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.432 -4.897 10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.105 -5.402 11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.499 -3.806 11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.925 -4.099 13.155 1.00 0.00 H new ATOM 518 N GLU A 33 -0.153 -0.984 12.951 1.00 0.00 N ATOM 519 CA GLU A 33 -1.360 -0.090 12.929 1.00 0.00 C ATOM 520 C GLU A 33 -1.072 1.071 11.964 1.00 0.00 C ATOM 521 O GLU A 33 -1.920 1.461 11.184 1.00 0.00 O ATOM 522 CB GLU A 33 -1.562 0.429 14.362 1.00 0.00 C ATOM 523 CG GLU A 33 -2.088 -0.703 15.246 1.00 0.00 C ATOM 524 CD GLU A 33 -0.913 -1.394 15.943 1.00 0.00 C ATOM 525 OE1 GLU A 33 -0.278 -2.221 15.311 1.00 0.00 O ATOM 526 OE2 GLU A 33 -0.670 -1.083 17.097 1.00 0.00 O ATOM 0 H GLU A 33 0.436 -0.907 13.780 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.258 -0.610 12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.620 0.807 14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.265 1.262 14.363 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.783 -0.307 15.987 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.641 -1.423 14.643 1.00 0.00 H new ATOM 533 N GLN A 34 0.135 1.611 11.993 1.00 0.00 N ATOM 534 CA GLN A 34 0.481 2.730 11.044 1.00 0.00 C ATOM 535 C GLN A 34 0.279 2.283 9.587 1.00 0.00 C ATOM 536 O GLN A 34 0.011 3.101 8.727 1.00 0.00 O ATOM 537 CB GLN A 34 1.962 3.077 11.290 1.00 0.00 C ATOM 538 CG GLN A 34 2.147 3.570 12.732 1.00 0.00 C ATOM 539 CD GLN A 34 2.357 5.092 12.744 1.00 0.00 C ATOM 540 OE1 GLN A 34 3.393 5.564 13.168 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.417 5.888 12.297 1.00 0.00 N ATOM 0 H GLN A 34 0.885 1.329 12.624 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.161 3.594 11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.585 2.200 11.113 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.286 3.846 10.589 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.273 3.311 13.329 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.003 3.073 13.188 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.545 5.497 11.940 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.557 6.898 12.306 1.00 0.00 H new ATOM 550 N VAL A 35 0.422 1.002 9.286 1.00 0.00 N ATOM 551 CA VAL A 35 0.252 0.558 7.862 1.00 0.00 C ATOM 552 C VAL A 35 -1.046 -0.260 7.666 1.00 0.00 C ATOM 553 O VAL A 35 -1.714 -0.110 6.661 1.00 0.00 O ATOM 554 CB VAL A 35 1.486 -0.305 7.545 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.544 -0.567 6.040 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.775 0.418 7.977 1.00 0.00 C ATOM 0 H VAL A 35 0.644 0.263 9.953 1.00 0.00 H new ATOM 0 HA VAL A 35 0.170 1.417 7.196 1.00 0.00 H new ATOM 0 HB VAL A 35 1.406 -1.245 8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.417 -1.178 5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.641 -1.092 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.615 0.382 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.638 -0.207 7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.858 1.364 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.743 0.609 9.050 1.00 0.00 H new ATOM 566 N GLU A 36 -1.407 -1.127 8.593 1.00 0.00 N ATOM 567 CA GLU A 36 -2.667 -1.944 8.400 1.00 0.00 C ATOM 568 C GLU A 36 -3.928 -1.058 8.368 1.00 0.00 C ATOM 569 O GLU A 36 -4.930 -1.447 7.794 1.00 0.00 O ATOM 570 CB GLU A 36 -2.752 -2.919 9.586 1.00 0.00 C ATOM 571 CG GLU A 36 -3.750 -4.033 9.261 1.00 0.00 C ATOM 572 CD GLU A 36 -4.014 -4.864 10.517 1.00 0.00 C ATOM 573 OE1 GLU A 36 -4.805 -4.429 11.337 1.00 0.00 O ATOM 574 OE2 GLU A 36 -3.420 -5.923 10.639 1.00 0.00 O ATOM 0 H GLU A 36 -0.898 -1.305 9.459 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.622 -2.467 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.770 -3.345 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.064 -2.388 10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.682 -3.605 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.356 -4.668 8.468 1.00 0.00 H new ATOM 581 N LYS A 37 -3.912 0.116 8.975 1.00 0.00 N ATOM 582 CA LYS A 37 -5.148 0.973 8.955 1.00 0.00 C ATOM 583 C LYS A 37 -5.081 2.004 7.821 1.00 0.00 C ATOM 584 O LYS A 37 -6.081 2.274 7.181 1.00 0.00 O ATOM 585 CB LYS A 37 -5.210 1.676 10.319 1.00 0.00 C ATOM 586 CG LYS A 37 -6.174 0.924 11.241 1.00 0.00 C ATOM 587 CD LYS A 37 -5.390 -0.070 12.099 1.00 0.00 C ATOM 588 CE LYS A 37 -6.278 -0.570 13.241 1.00 0.00 C ATOM 589 NZ LYS A 37 -6.117 0.442 14.325 1.00 0.00 N ATOM 0 H LYS A 37 -3.113 0.509 9.473 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.038 0.369 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.217 1.712 10.766 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.541 2.707 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.708 1.629 11.879 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.923 0.398 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.057 -0.910 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.496 0.406 12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.319 -0.649 12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.970 -1.560 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.965 0.443 14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.284 0.205 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.990 1.384 13.904 1.00 0.00 H new ATOM 603 N GLU A 38 -3.925 2.575 7.550 1.00 0.00 N ATOM 604 CA GLU A 38 -3.853 3.575 6.430 1.00 0.00 C ATOM 605 C GLU A 38 -4.012 2.850 5.086 1.00 0.00 C ATOM 606 O GLU A 38 -4.663 3.349 4.188 1.00 0.00 O ATOM 607 CB GLU A 38 -2.482 4.247 6.527 1.00 0.00 C ATOM 608 CG GLU A 38 -2.553 5.403 7.528 1.00 0.00 C ATOM 609 CD GLU A 38 -2.754 4.845 8.938 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.897 4.660 9.322 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.762 4.614 9.608 1.00 0.00 O ATOM 0 H GLU A 38 -3.049 2.398 8.042 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.646 4.319 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.731 3.523 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.176 4.617 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.637 5.992 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.374 6.072 7.270 1.00 0.00 H new ATOM 618 N LEU A 39 -3.440 1.666 4.940 1.00 0.00 N ATOM 619 CA LEU A 39 -3.596 0.920 3.638 1.00 0.00 C ATOM 620 C LEU A 39 -5.090 0.712 3.329 1.00 0.00 C ATOM 621 O LEU A 39 -5.500 0.781 2.185 1.00 0.00 O ATOM 622 CB LEU A 39 -2.900 -0.440 3.817 1.00 0.00 C ATOM 623 CG LEU A 39 -2.459 -0.975 2.455 1.00 0.00 C ATOM 624 CD1 LEU A 39 -1.265 -0.163 1.949 1.00 0.00 C ATOM 625 CD2 LEU A 39 -2.054 -2.445 2.592 1.00 0.00 C ATOM 0 H LEU A 39 -2.883 1.193 5.652 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.156 1.477 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.037 -0.334 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.579 -1.147 4.294 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.283 -0.888 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.951 -0.545 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.552 0.884 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.440 -0.249 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.739 -2.828 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.230 -2.531 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.904 -3.025 2.952 1.00 0.00 H new ATOM 637 N LEU A 40 -5.913 0.470 4.336 1.00 0.00 N ATOM 638 CA LEU A 40 -7.385 0.274 4.062 1.00 0.00 C ATOM 639 C LEU A 40 -7.963 1.519 3.364 1.00 0.00 C ATOM 640 O LEU A 40 -8.807 1.405 2.495 1.00 0.00 O ATOM 641 CB LEU A 40 -8.068 0.070 5.424 1.00 0.00 C ATOM 642 CG LEU A 40 -9.355 -0.734 5.236 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.736 -1.405 6.556 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.481 0.205 4.799 1.00 0.00 C ATOM 0 H LEU A 40 -5.636 0.401 5.315 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.550 -0.583 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.396 -0.453 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.293 1.035 5.878 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.199 -1.497 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.653 -1.978 6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.934 -2.073 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.893 -0.643 7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.399 -0.366 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.636 0.967 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.211 0.684 3.858 1.00 0.00 H new ATOM 656 N ARG A 41 -7.519 2.708 3.732 1.00 0.00 N ATOM 657 CA ARG A 41 -8.064 3.950 3.068 1.00 0.00 C ATOM 658 C ARG A 41 -7.829 3.889 1.548 1.00 0.00 C ATOM 659 O ARG A 41 -8.672 4.307 0.775 1.00 0.00 O ATOM 660 CB ARG A 41 -7.307 5.145 3.669 1.00 0.00 C ATOM 661 CG ARG A 41 -7.787 5.385 5.102 1.00 0.00 C ATOM 662 CD ARG A 41 -9.010 6.305 5.084 1.00 0.00 C ATOM 663 NE ARG A 41 -9.108 6.840 6.471 1.00 0.00 N ATOM 664 CZ ARG A 41 -8.636 8.025 6.748 1.00 0.00 C ATOM 665 NH1 ARG A 41 -9.231 9.089 6.283 1.00 0.00 N ATOM 666 NH2 ARG A 41 -7.570 8.146 7.490 1.00 0.00 N ATOM 0 H ARG A 41 -6.815 2.871 4.451 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.137 4.040 3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.234 4.951 3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.474 6.036 3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.039 4.436 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.989 5.834 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.889 7.109 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.911 5.758 4.807 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.544 6.280 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.065 8.995 5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.862 10.015 6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.105 7.314 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.202 9.072 7.706 1.00 0.00 H new ATOM 680 N VAL A 42 -6.695 3.372 1.107 1.00 0.00 N ATOM 681 CA VAL A 42 -6.441 3.298 -0.379 1.00 0.00 C ATOM 682 C VAL A 42 -7.535 2.446 -1.051 1.00 0.00 C ATOM 683 O VAL A 42 -7.989 2.765 -2.133 1.00 0.00 O ATOM 684 CB VAL A 42 -5.054 2.649 -0.561 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.739 2.500 -2.053 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.987 3.534 0.096 1.00 0.00 C ATOM 0 H VAL A 42 -5.949 3.005 1.698 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.464 4.286 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.056 1.664 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.758 2.041 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.494 1.871 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.740 3.482 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.006 3.077 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.992 4.518 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.204 3.637 1.159 1.00 0.00 H new ATOM 696 N GLY A 43 -7.967 1.373 -0.418 1.00 0.00 N ATOM 697 CA GLY A 43 -9.033 0.523 -1.027 1.00 0.00 C ATOM 698 C GLY A 43 -10.323 1.346 -1.151 1.00 0.00 C ATOM 699 O GLY A 43 -10.936 1.386 -2.202 1.00 0.00 O ATOM 0 H GLY A 43 -7.625 1.056 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.717 0.169 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.208 -0.359 -0.411 1.00 0.00 H new ATOM 703 N GLN A 44 -10.740 2.013 -0.091 1.00 0.00 N ATOM 704 CA GLN A 44 -11.999 2.841 -0.177 1.00 0.00 C ATOM 705 C GLN A 44 -11.861 3.901 -1.286 1.00 0.00 C ATOM 706 O GLN A 44 -12.812 4.192 -1.985 1.00 0.00 O ATOM 707 CB GLN A 44 -12.173 3.528 1.188 1.00 0.00 C ATOM 708 CG GLN A 44 -12.861 2.568 2.160 1.00 0.00 C ATOM 709 CD GLN A 44 -12.672 3.071 3.597 1.00 0.00 C ATOM 710 OE1 GLN A 44 -11.612 2.915 4.169 1.00 0.00 O ATOM 711 NE2 GLN A 44 -13.660 3.674 4.212 1.00 0.00 N ATOM 0 H GLN A 44 -10.273 2.021 0.816 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.861 2.218 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.202 3.827 1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.766 4.436 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.923 2.496 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.443 1.567 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.552 3.807 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.537 4.010 5.167 1.00 0.00 H new ATOM 720 N ILE A 45 -10.684 4.478 -1.458 1.00 0.00 N ATOM 721 CA ILE A 45 -10.510 5.516 -2.540 1.00 0.00 C ATOM 722 C ILE A 45 -10.827 4.889 -3.905 1.00 0.00 C ATOM 723 O ILE A 45 -11.538 5.474 -4.702 1.00 0.00 O ATOM 724 CB ILE A 45 -9.038 5.981 -2.459 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.816 6.714 -1.131 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.701 6.933 -3.612 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.342 6.620 -0.724 1.00 0.00 C ATOM 0 H ILE A 45 -9.850 4.279 -0.906 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.182 6.364 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.393 5.105 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.109 7.759 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.445 6.278 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.660 7.246 -3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.855 6.422 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.348 7.809 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.191 7.143 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.063 5.573 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.722 7.077 -1.495 1.00 0.00 H new ATOM 739 N LEU A 46 -10.335 3.699 -4.177 1.00 0.00 N ATOM 740 CA LEU A 46 -10.661 3.057 -5.495 1.00 0.00 C ATOM 741 C LEU A 46 -12.080 2.459 -5.447 1.00 0.00 C ATOM 742 O LEU A 46 -12.765 2.421 -6.452 1.00 0.00 O ATOM 743 CB LEU A 46 -9.613 1.956 -5.738 1.00 0.00 C ATOM 744 CG LEU A 46 -9.910 1.234 -7.062 1.00 0.00 C ATOM 745 CD1 LEU A 46 -9.895 2.235 -8.223 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.849 0.161 -7.305 1.00 0.00 C ATOM 0 H LEU A 46 -9.734 3.155 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.636 3.786 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.615 2.392 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.625 1.242 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.895 0.772 -7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.107 1.713 -9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.654 2.999 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.914 2.706 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.059 -0.352 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.865 0.627 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.866 -0.559 -6.487 1.00 0.00 H new ATOM 758 N LYS A 47 -12.544 2.018 -4.290 1.00 0.00 N ATOM 759 CA LYS A 47 -13.934 1.462 -4.214 1.00 0.00 C ATOM 760 C LYS A 47 -14.946 2.615 -4.288 1.00 0.00 C ATOM 761 O LYS A 47 -16.054 2.432 -4.757 1.00 0.00 O ATOM 762 CB LYS A 47 -14.052 0.731 -2.866 1.00 0.00 C ATOM 763 CG LYS A 47 -15.365 -0.052 -2.823 1.00 0.00 C ATOM 764 CD LYS A 47 -15.898 -0.075 -1.388 1.00 0.00 C ATOM 765 CE LYS A 47 -15.098 -1.083 -0.561 1.00 0.00 C ATOM 766 NZ LYS A 47 -14.073 -0.269 0.149 1.00 0.00 N ATOM 0 H LYS A 47 -12.025 2.021 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.137 0.777 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.208 0.054 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.018 1.449 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.097 0.408 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.206 -1.070 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.821 0.918 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.954 -0.344 -1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.739 -1.613 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.633 -1.836 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.778 -0.762 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.248 -0.133 -0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.476 0.657 0.398 1.00 0.00 H new ATOM 780 N GLU A 48 -14.584 3.811 -3.834 1.00 0.00 N ATOM 781 CA GLU A 48 -15.560 4.957 -3.898 1.00 0.00 C ATOM 782 C GLU A 48 -16.106 5.112 -5.334 1.00 0.00 C ATOM 783 O GLU A 48 -15.354 5.008 -6.280 1.00 0.00 O ATOM 784 CB GLU A 48 -14.777 6.217 -3.496 1.00 0.00 C ATOM 785 CG GLU A 48 -14.911 6.442 -1.988 1.00 0.00 C ATOM 786 CD GLU A 48 -14.891 7.942 -1.693 1.00 0.00 C ATOM 787 OE1 GLU A 48 -13.822 8.526 -1.761 1.00 0.00 O ATOM 788 OE2 GLU A 48 -15.945 8.484 -1.403 1.00 0.00 O ATOM 0 H GLU A 48 -13.674 4.033 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.410 4.788 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.727 6.107 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.157 7.083 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.839 6.001 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.096 5.946 -1.462 1.00 0.00 H new ATOM 795 N PRO A 49 -17.396 5.347 -5.461 1.00 0.00 N ATOM 796 CA PRO A 49 -18.001 5.498 -6.812 1.00 0.00 C ATOM 797 C PRO A 49 -17.583 6.827 -7.466 1.00 0.00 C ATOM 798 O PRO A 49 -17.396 6.889 -8.668 1.00 0.00 O ATOM 799 CB PRO A 49 -19.502 5.476 -6.541 1.00 0.00 C ATOM 800 CG PRO A 49 -19.644 5.929 -5.125 1.00 0.00 C ATOM 801 CD PRO A 49 -18.401 5.493 -4.395 1.00 0.00 C ATOM 0 HA PRO A 49 -17.682 4.717 -7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -20.036 6.138 -7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.914 4.476 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.760 7.012 -5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.532 5.493 -4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.093 6.231 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.559 4.555 -3.863 1.00 0.00 H new ATOM 809 N LYS A 50 -17.414 7.884 -6.696 1.00 0.00 N ATOM 810 CA LYS A 50 -16.983 9.189 -7.313 1.00 0.00 C ATOM 811 C LYS A 50 -15.468 9.151 -7.575 1.00 0.00 C ATOM 812 O LYS A 50 -14.990 9.702 -8.547 1.00 0.00 O ATOM 813 CB LYS A 50 -17.326 10.292 -6.300 1.00 0.00 C ATOM 814 CG LYS A 50 -17.273 11.656 -6.990 1.00 0.00 C ATOM 815 CD LYS A 50 -15.881 12.266 -6.810 1.00 0.00 C ATOM 816 CE LYS A 50 -15.535 13.122 -8.031 1.00 0.00 C ATOM 817 NZ LYS A 50 -16.365 14.350 -7.887 1.00 0.00 N ATOM 0 H LYS A 50 -17.553 7.901 -5.686 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.486 9.372 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.319 10.122 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.623 10.267 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.500 11.548 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.029 12.318 -6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.854 12.875 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.140 11.476 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.473 13.364 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.764 12.597 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.972 14.459 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.959 14.270 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.745 15.180 -7.799 1.00 0.00 H new ATOM 831 N MET A 51 -14.712 8.488 -6.721 1.00 0.00 N ATOM 832 CA MET A 51 -13.230 8.403 -6.939 1.00 0.00 C ATOM 833 C MET A 51 -12.879 7.213 -7.857 1.00 0.00 C ATOM 834 O MET A 51 -11.874 7.245 -8.542 1.00 0.00 O ATOM 835 CB MET A 51 -12.614 8.211 -5.549 1.00 0.00 C ATOM 836 CG MET A 51 -11.095 8.193 -5.663 1.00 0.00 C ATOM 837 SD MET A 51 -10.502 9.833 -6.154 1.00 0.00 S ATOM 838 CE MET A 51 -8.818 9.341 -6.598 1.00 0.00 C ATOM 0 H MET A 51 -15.057 8.007 -5.890 1.00 0.00 H new ATOM 0 HA MET A 51 -12.847 9.299 -7.427 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.930 9.016 -4.886 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.967 7.278 -5.109 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.652 7.906 -4.709 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.784 7.448 -6.396 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.173 10.220 -6.609 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.443 8.625 -5.867 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.822 8.882 -7.587 1.00 0.00 H new ATOM 848 N ALA A 52 -13.688 6.163 -7.889 1.00 0.00 N ATOM 849 CA ALA A 52 -13.358 4.991 -8.786 1.00 0.00 C ATOM 850 C ALA A 52 -13.185 5.469 -10.238 1.00 0.00 C ATOM 851 O ALA A 52 -12.303 5.013 -10.941 1.00 0.00 O ATOM 852 CB ALA A 52 -14.542 4.014 -8.694 1.00 0.00 C ATOM 0 H ALA A 52 -14.545 6.068 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.428 4.513 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.349 3.148 -9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.665 3.688 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.452 4.513 -9.028 1.00 0.00 H new ATOM 858 N ALA A 53 -14.012 6.392 -10.689 1.00 0.00 N ATOM 859 CA ALA A 53 -13.865 6.892 -12.104 1.00 0.00 C ATOM 860 C ALA A 53 -12.538 7.653 -12.254 1.00 0.00 C ATOM 861 O ALA A 53 -11.874 7.545 -13.267 1.00 0.00 O ATOM 862 CB ALA A 53 -15.050 7.834 -12.367 1.00 0.00 C ATOM 0 H ALA A 53 -14.769 6.814 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.859 6.066 -12.816 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.987 8.223 -13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.984 7.286 -12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.020 8.662 -11.659 1.00 0.00 H new ATOM 868 N SER A 54 -12.140 8.422 -11.257 1.00 0.00 N ATOM 869 CA SER A 54 -10.842 9.179 -11.372 1.00 0.00 C ATOM 870 C SER A 54 -9.649 8.217 -11.237 1.00 0.00 C ATOM 871 O SER A 54 -8.657 8.365 -11.924 1.00 0.00 O ATOM 872 CB SER A 54 -10.825 10.206 -10.231 1.00 0.00 C ATOM 873 OG SER A 54 -11.987 11.021 -10.317 1.00 0.00 O ATOM 0 H SER A 54 -12.648 8.557 -10.383 1.00 0.00 H new ATOM 0 HA SER A 54 -10.762 9.669 -12.342 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.794 9.697 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.928 10.823 -10.294 1.00 0.00 H new ATOM 0 HG SER A 54 -11.981 11.677 -9.589 1.00 0.00 H new ATOM 879 N LEU A 55 -9.733 7.232 -10.365 1.00 0.00 N ATOM 880 CA LEU A 55 -8.577 6.271 -10.216 1.00 0.00 C ATOM 881 C LEU A 55 -8.514 5.300 -11.413 1.00 0.00 C ATOM 882 O LEU A 55 -7.450 4.829 -11.765 1.00 0.00 O ATOM 883 CB LEU A 55 -8.808 5.493 -8.908 1.00 0.00 C ATOM 884 CG LEU A 55 -7.487 5.366 -8.145 1.00 0.00 C ATOM 885 CD1 LEU A 55 -7.044 6.746 -7.654 1.00 0.00 C ATOM 886 CD2 LEU A 55 -7.679 4.435 -6.944 1.00 0.00 C ATOM 0 H LEU A 55 -10.534 7.051 -9.760 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.630 6.811 -10.189 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.547 6.007 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.209 4.504 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.725 4.955 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.103 6.654 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.907 7.409 -8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.806 7.159 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.739 4.344 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.442 4.846 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.993 3.451 -7.293 1.00 0.00 H new ATOM 898 N LEU A 56 -9.634 4.995 -12.047 1.00 0.00 N ATOM 899 CA LEU A 56 -9.596 4.054 -13.220 1.00 0.00 C ATOM 900 C LEU A 56 -9.578 4.816 -14.567 1.00 0.00 C ATOM 901 O LEU A 56 -9.243 4.240 -15.585 1.00 0.00 O ATOM 902 CB LEU A 56 -10.871 3.204 -13.110 1.00 0.00 C ATOM 903 CG LEU A 56 -10.902 2.170 -14.240 1.00 0.00 C ATOM 904 CD1 LEU A 56 -11.588 0.895 -13.746 1.00 0.00 C ATOM 905 CD2 LEU A 56 -11.676 2.741 -15.437 1.00 0.00 C ATOM 0 H LEU A 56 -10.558 5.353 -11.805 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.690 3.448 -13.200 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.902 2.701 -12.143 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.752 3.844 -13.165 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.883 1.937 -14.547 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.610 0.159 -14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.036 0.490 -12.898 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.608 1.126 -13.438 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.698 2.005 -16.241 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.696 2.976 -15.132 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.185 3.648 -15.789 1.00 0.00 H new ATOM 917 N ASN A 57 -9.948 6.089 -14.604 1.00 0.00 N ATOM 918 CA ASN A 57 -9.952 6.833 -15.921 1.00 0.00 C ATOM 919 C ASN A 57 -8.612 6.674 -16.661 1.00 0.00 C ATOM 920 O ASN A 57 -7.575 6.563 -16.035 1.00 0.00 O ATOM 921 CB ASN A 57 -10.186 8.320 -15.594 1.00 0.00 C ATOM 922 CG ASN A 57 -11.674 8.656 -15.764 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.515 7.783 -15.676 1.00 0.00 O ATOM 924 ND2 ASN A 57 -12.042 9.890 -16.003 1.00 0.00 N ATOM 0 H ASN A 57 -10.242 6.635 -13.794 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.731 6.434 -16.571 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.869 8.533 -14.573 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.584 8.947 -16.252 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.031 10.115 -16.114 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.340 10.626 -16.078 1.00 0.00 H new ATOM 931 N PRO A 58 -8.670 6.692 -17.981 1.00 0.00 N ATOM 932 CA PRO A 58 -7.433 6.575 -18.792 1.00 0.00 C ATOM 933 C PRO A 58 -6.685 7.930 -18.896 1.00 0.00 C ATOM 934 O PRO A 58 -5.647 8.006 -19.524 1.00 0.00 O ATOM 935 CB PRO A 58 -7.943 6.147 -20.163 1.00 0.00 C ATOM 936 CG PRO A 58 -9.355 6.641 -20.240 1.00 0.00 C ATOM 937 CD PRO A 58 -9.867 6.814 -18.831 1.00 0.00 C ATOM 0 HA PRO A 58 -6.719 5.876 -18.355 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.334 6.575 -20.959 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.900 5.064 -20.277 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.399 7.587 -20.780 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.977 5.933 -20.787 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.348 7.783 -18.701 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.608 6.054 -18.583 1.00 0.00 H new ATOM 945 N TYR A 59 -7.190 8.997 -18.293 1.00 0.00 N ATOM 946 CA TYR A 59 -6.480 10.317 -18.379 1.00 0.00 C ATOM 947 C TYR A 59 -5.474 10.466 -17.223 1.00 0.00 C ATOM 948 O TYR A 59 -4.460 11.122 -17.372 1.00 0.00 O ATOM 949 CB TYR A 59 -7.579 11.388 -18.282 1.00 0.00 C ATOM 950 CG TYR A 59 -8.541 11.217 -19.435 1.00 0.00 C ATOM 951 CD1 TYR A 59 -8.302 11.874 -20.648 1.00 0.00 C ATOM 952 CD2 TYR A 59 -9.666 10.392 -19.295 1.00 0.00 C ATOM 953 CE1 TYR A 59 -9.188 11.709 -21.720 1.00 0.00 C ATOM 954 CE2 TYR A 59 -10.550 10.226 -20.367 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.311 10.885 -21.579 1.00 0.00 C ATOM 956 OH TYR A 59 -11.183 10.721 -22.636 1.00 0.00 O ATOM 0 H TYR A 59 -8.055 9.004 -17.752 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.912 10.408 -19.305 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.109 11.298 -17.334 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.136 12.384 -18.306 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.434 12.508 -20.757 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.850 9.885 -18.360 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.005 12.217 -22.655 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.416 9.590 -20.260 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.908 10.117 -22.371 1.00 0.00 H new ATOM 966 N VAL A 60 -5.732 9.866 -16.070 1.00 0.00 N ATOM 967 CA VAL A 60 -4.749 9.999 -14.924 1.00 0.00 C ATOM 968 C VAL A 60 -3.323 9.590 -15.370 1.00 0.00 C ATOM 969 O VAL A 60 -2.349 10.073 -14.828 1.00 0.00 O ATOM 970 CB VAL A 60 -5.251 9.071 -13.798 1.00 0.00 C ATOM 971 CG1 VAL A 60 -4.272 9.102 -12.617 1.00 0.00 C ATOM 972 CG2 VAL A 60 -6.626 9.553 -13.320 1.00 0.00 C ATOM 0 H VAL A 60 -6.560 9.303 -15.874 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.691 11.033 -14.583 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.324 8.053 -14.181 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.634 8.444 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.290 8.764 -12.949 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.195 10.120 -12.235 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.984 8.900 -12.524 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.543 10.572 -12.943 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.329 9.530 -14.152 1.00 0.00 H new ATOM 982 N LYS A 61 -3.184 8.706 -16.347 1.00 0.00 N ATOM 983 CA LYS A 61 -1.818 8.283 -16.809 1.00 0.00 C ATOM 984 C LYS A 61 -1.039 7.626 -15.658 1.00 0.00 C ATOM 985 O LYS A 61 -1.601 7.316 -14.625 1.00 0.00 O ATOM 986 CB LYS A 61 -1.111 9.564 -17.280 1.00 0.00 C ATOM 987 CG LYS A 61 -0.347 9.286 -18.577 1.00 0.00 C ATOM 988 CD LYS A 61 -0.377 10.530 -19.467 1.00 0.00 C ATOM 989 CE LYS A 61 0.902 10.588 -20.304 1.00 0.00 C ATOM 990 NZ LYS A 61 1.166 12.040 -20.502 1.00 0.00 N ATOM 0 H LYS A 61 -3.960 8.263 -16.840 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.880 7.547 -17.611 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.842 10.356 -17.440 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.424 9.915 -16.510 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.684 9.012 -18.352 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.794 8.441 -19.101 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.250 10.503 -20.119 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.464 11.427 -18.854 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.732 10.102 -19.791 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.773 10.076 -21.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.030 12.162 -21.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.362 12.474 -20.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.291 12.499 -19.577 1.00 0.00 H new ATOM 1004 N ARG A 62 0.252 7.409 -15.827 1.00 0.00 N ATOM 1005 CA ARG A 62 1.053 6.768 -14.736 1.00 0.00 C ATOM 1006 C ARG A 62 1.957 7.809 -14.059 1.00 0.00 C ATOM 1007 O ARG A 62 1.871 8.020 -12.863 1.00 0.00 O ATOM 1008 CB ARG A 62 1.897 5.690 -15.425 1.00 0.00 C ATOM 1009 CG ARG A 62 2.671 4.894 -14.372 1.00 0.00 C ATOM 1010 CD ARG A 62 1.872 3.648 -13.982 1.00 0.00 C ATOM 1011 NE ARG A 62 2.456 2.547 -14.797 1.00 0.00 N ATOM 1012 CZ ARG A 62 1.762 2.008 -15.762 1.00 0.00 C ATOM 1013 NH1 ARG A 62 1.669 2.611 -16.915 1.00 0.00 N ATOM 1014 NH2 ARG A 62 1.159 0.866 -15.572 1.00 0.00 N ATOM 0 H ARG A 62 0.777 7.648 -16.668 1.00 0.00 H new ATOM 0 HA ARG A 62 0.416 6.344 -13.959 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.255 5.023 -16.000 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.590 6.151 -16.129 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.646 4.605 -14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.851 5.513 -13.493 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.960 3.440 -12.916 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.811 3.777 -14.195 1.00 0.00 H new ATOM 0 HE ARG A 62 3.400 2.214 -14.601 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.139 3.504 -17.063 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.126 2.189 -17.669 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.230 0.395 -14.670 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.616 0.444 -16.326 1.00 0.00 H new ATOM 1028 N SER A 63 2.822 8.469 -14.807 1.00 0.00 N ATOM 1029 CA SER A 63 3.721 9.503 -14.172 1.00 0.00 C ATOM 1030 C SER A 63 2.866 10.583 -13.490 1.00 0.00 C ATOM 1031 O SER A 63 3.150 10.992 -12.380 1.00 0.00 O ATOM 1032 CB SER A 63 4.556 10.124 -15.301 1.00 0.00 C ATOM 1033 OG SER A 63 3.724 10.961 -16.094 1.00 0.00 O ATOM 0 H SER A 63 2.944 8.341 -15.811 1.00 0.00 H new ATOM 0 HA SER A 63 4.366 9.055 -13.416 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.381 10.702 -14.884 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.996 9.340 -15.917 1.00 0.00 H new ATOM 0 HG SER A 63 4.254 11.361 -16.815 1.00 0.00 H new ATOM 1039 N VAL A 64 1.808 11.033 -14.136 1.00 0.00 N ATOM 1040 CA VAL A 64 0.934 12.075 -13.492 1.00 0.00 C ATOM 1041 C VAL A 64 0.270 11.473 -12.242 1.00 0.00 C ATOM 1042 O VAL A 64 0.172 12.122 -11.218 1.00 0.00 O ATOM 1043 CB VAL A 64 -0.130 12.468 -14.533 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.062 13.531 -13.946 1.00 0.00 C ATOM 1045 CG2 VAL A 64 0.562 13.032 -15.775 1.00 0.00 C ATOM 0 H VAL A 64 1.516 10.730 -15.065 1.00 0.00 H new ATOM 0 HA VAL A 64 1.506 12.950 -13.184 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.713 11.587 -14.803 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.813 13.806 -14.687 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.555 13.133 -13.059 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.482 14.413 -13.673 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.189 13.311 -16.514 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.145 13.911 -15.499 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.224 12.276 -16.198 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.178 10.233 -12.313 1.00 0.00 N ATOM 1056 CA LYS A 65 -0.825 9.603 -11.106 1.00 0.00 C ATOM 1057 C LYS A 65 0.159 9.585 -9.924 1.00 0.00 C ATOM 1058 O LYS A 65 -0.236 9.774 -8.788 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.197 8.165 -11.502 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.324 7.661 -10.599 1.00 0.00 C ATOM 1061 CD LYS A 65 -2.927 6.390 -11.198 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.351 6.202 -10.671 1.00 0.00 C ATOM 1063 NZ LYS A 65 -4.889 5.035 -11.425 1.00 0.00 N ATOM 0 H LYS A 65 -0.125 9.639 -13.140 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.706 10.167 -10.797 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.511 8.134 -12.545 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.327 7.515 -11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.940 7.458 -9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.092 8.427 -10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.937 6.457 -12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.315 5.527 -10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.353 6.013 -9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.955 7.093 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.817 4.769 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.992 5.288 -12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.234 4.232 -11.336 1.00 0.00 H new ATOM 1077 N VAL A 66 1.439 9.361 -10.172 1.00 0.00 N ATOM 1078 CA VAL A 66 2.425 9.339 -9.029 1.00 0.00 C ATOM 1079 C VAL A 66 2.401 10.691 -8.297 1.00 0.00 C ATOM 1080 O VAL A 66 2.440 10.738 -7.081 1.00 0.00 O ATOM 1081 CB VAL A 66 3.817 9.081 -9.638 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.875 9.061 -8.530 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.819 7.728 -10.356 1.00 0.00 C ATOM 0 H VAL A 66 1.836 9.196 -11.097 1.00 0.00 H new ATOM 0 HA VAL A 66 2.174 8.563 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 66 4.048 9.876 -10.347 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.857 8.878 -8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.881 10.022 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.642 8.269 -7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.804 7.546 -10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.583 6.938 -9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.072 7.736 -11.150 1.00 0.00 H new ATOM 1093 N LYS A 67 2.327 11.791 -9.022 1.00 0.00 N ATOM 1094 CA LYS A 67 2.291 13.129 -8.331 1.00 0.00 C ATOM 1095 C LYS A 67 0.995 13.250 -7.516 1.00 0.00 C ATOM 1096 O LYS A 67 1.004 13.754 -6.409 1.00 0.00 O ATOM 1097 CB LYS A 67 2.332 14.201 -9.431 1.00 0.00 C ATOM 1098 CG LYS A 67 2.552 15.576 -8.797 1.00 0.00 C ATOM 1099 CD LYS A 67 2.647 16.636 -9.896 1.00 0.00 C ATOM 1100 CE LYS A 67 3.208 17.934 -9.309 1.00 0.00 C ATOM 1101 NZ LYS A 67 4.689 17.782 -9.389 1.00 0.00 N ATOM 0 H LYS A 67 2.291 11.821 -10.041 1.00 0.00 H new ATOM 0 HA LYS A 67 3.132 13.248 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.133 13.982 -10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.399 14.194 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.731 15.812 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.465 15.572 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.289 16.282 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.663 16.816 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.869 18.802 -9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.880 18.076 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.139 18.391 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.946 16.791 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.016 18.058 -10.337 1.00 0.00 H new ATOM 1115 N SER A 68 -0.122 12.788 -8.048 1.00 0.00 N ATOM 1116 CA SER A 68 -1.410 12.883 -7.270 1.00 0.00 C ATOM 1117 C SER A 68 -1.284 12.102 -5.951 1.00 0.00 C ATOM 1118 O SER A 68 -1.779 12.535 -4.928 1.00 0.00 O ATOM 1119 CB SER A 68 -2.507 12.263 -8.149 1.00 0.00 C ATOM 1120 OG SER A 68 -2.617 13.005 -9.357 1.00 0.00 O ATOM 0 H SER A 68 -0.198 12.357 -8.969 1.00 0.00 H new ATOM 0 HA SER A 68 -1.646 13.919 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.268 11.222 -8.368 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.459 12.267 -7.619 1.00 0.00 H new ATOM 0 HG SER A 68 -3.315 12.611 -9.921 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.621 10.959 -5.960 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.478 10.178 -4.678 1.00 0.00 C ATOM 1128 C LEU A 69 0.312 11.009 -3.659 1.00 0.00 C ATOM 1129 O LEU A 69 -0.103 11.156 -2.523 1.00 0.00 O ATOM 1130 CB LEU A 69 0.285 8.889 -5.022 1.00 0.00 C ATOM 1131 CG LEU A 69 -0.562 8.030 -5.964 1.00 0.00 C ATOM 1132 CD1 LEU A 69 0.354 7.153 -6.826 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -1.497 7.143 -5.139 1.00 0.00 C ATOM 0 H LEU A 69 -0.182 10.541 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.450 9.944 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.238 9.132 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.512 8.334 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.153 8.676 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.252 6.542 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.017 7.787 -7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.948 6.505 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.101 6.530 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.906 6.497 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.150 7.769 -4.531 1.00 0.00 H new ATOM 1145 N SER A 70 1.444 11.565 -4.051 1.00 0.00 N ATOM 1146 CA SER A 70 2.236 12.398 -3.077 1.00 0.00 C ATOM 1147 C SER A 70 1.414 13.630 -2.675 1.00 0.00 C ATOM 1148 O SER A 70 1.352 13.983 -1.512 1.00 0.00 O ATOM 1149 CB SER A 70 3.524 12.825 -3.795 1.00 0.00 C ATOM 1150 OG SER A 70 4.206 13.788 -3.003 1.00 0.00 O ATOM 0 H SER A 70 1.847 11.480 -4.984 1.00 0.00 H new ATOM 0 HA SER A 70 2.472 11.838 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.163 11.959 -3.965 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.287 13.244 -4.773 1.00 0.00 H new ATOM 0 HG SER A 70 5.030 14.062 -3.458 1.00 0.00 H new ATOM 1156 N ASP A 71 0.763 14.277 -3.622 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.072 15.478 -3.261 1.00 0.00 C ATOM 1158 C ASP A 71 -1.329 15.052 -2.473 1.00 0.00 C ATOM 1159 O ASP A 71 -1.916 15.861 -1.778 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.474 16.157 -4.580 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.965 17.577 -4.295 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -2.045 17.709 -3.742 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -0.255 18.508 -4.636 1.00 0.00 O ATOM 0 H ASP A 71 0.772 14.031 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 71 0.492 16.161 -2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.377 16.185 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.258 15.582 -5.073 1.00 0.00 H new ATOM 1168 N MET A 72 -1.733 13.794 -2.538 1.00 0.00 N ATOM 1169 CA MET A 72 -2.928 13.357 -1.743 1.00 0.00 C ATOM 1170 C MET A 72 -2.422 12.909 -0.372 1.00 0.00 C ATOM 1171 O MET A 72 -2.964 13.283 0.651 1.00 0.00 O ATOM 1172 CB MET A 72 -3.561 12.185 -2.505 1.00 0.00 C ATOM 1173 CG MET A 72 -4.906 11.829 -1.870 1.00 0.00 C ATOM 1174 SD MET A 72 -5.586 10.359 -2.678 1.00 0.00 S ATOM 1175 CE MET A 72 -4.389 9.168 -2.025 1.00 0.00 C ATOM 0 H MET A 72 -1.291 13.066 -3.099 1.00 0.00 H new ATOM 0 HA MET A 72 -3.666 14.148 -1.609 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.701 12.452 -3.553 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.896 11.321 -2.482 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.779 11.644 -0.803 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.599 12.664 -1.969 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.823 8.168 -2.045 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.488 9.185 -2.638 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.135 9.433 -0.999 1.00 0.00 H new ATOM 1185 N THR A 73 -1.352 12.138 -0.343 1.00 0.00 N ATOM 1186 CA THR A 73 -0.773 11.701 0.970 1.00 0.00 C ATOM 1187 C THR A 73 -0.386 12.959 1.791 1.00 0.00 C ATOM 1188 O THR A 73 -0.554 12.986 2.995 1.00 0.00 O ATOM 1189 CB THR A 73 0.462 10.833 0.602 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.030 9.510 0.316 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.478 10.789 1.742 1.00 0.00 C ATOM 0 H THR A 73 -0.860 11.796 -1.168 1.00 0.00 H new ATOM 0 HA THR A 73 -1.467 11.128 1.585 1.00 0.00 H new ATOM 0 HB THR A 73 0.945 11.279 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.804 8.957 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.328 10.173 1.448 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.821 11.800 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.011 10.363 2.630 1.00 0.00 H new ATOM 1199 N ALA A 74 0.120 14.001 1.148 1.00 0.00 N ATOM 1200 CA ALA A 74 0.496 15.241 1.923 1.00 0.00 C ATOM 1201 C ALA A 74 -0.744 15.807 2.637 1.00 0.00 C ATOM 1202 O ALA A 74 -0.658 16.261 3.763 1.00 0.00 O ATOM 1203 CB ALA A 74 1.028 16.260 0.903 1.00 0.00 C ATOM 0 H ALA A 74 0.285 14.046 0.142 1.00 0.00 H new ATOM 0 HA ALA A 74 1.248 15.019 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.313 17.177 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.897 15.845 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.251 16.483 0.172 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.900 15.776 2.000 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.138 16.309 2.669 1.00 0.00 C ATOM 1211 C LYS A 75 -3.842 15.191 3.464 1.00 0.00 C ATOM 1212 O LYS A 75 -4.447 15.451 4.487 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.052 16.822 1.545 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.095 17.789 2.123 1.00 0.00 C ATOM 1215 CD LYS A 75 -4.807 19.214 1.640 1.00 0.00 C ATOM 1216 CE LYS A 75 -3.498 19.710 2.259 1.00 0.00 C ATOM 1217 NZ LYS A 75 -2.939 20.666 1.263 1.00 0.00 N ATOM 0 H LYS A 75 -2.037 15.409 1.058 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.894 17.104 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.458 17.326 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.550 15.984 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.095 17.486 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.073 17.753 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.737 19.233 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.627 19.876 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.675 20.197 3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.810 18.884 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.039 21.049 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.775 20.173 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.612 21.445 1.113 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.765 13.949 3.016 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.436 12.836 3.782 1.00 0.00 C ATOM 1233 C GLU A 76 -3.726 12.558 5.124 1.00 0.00 C ATOM 1234 O GLU A 76 -4.268 11.864 5.965 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.376 11.586 2.887 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.270 10.488 3.471 1.00 0.00 C ATOM 1237 CD GLU A 76 -4.413 9.461 4.216 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -3.402 9.855 4.774 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -4.782 8.298 4.216 1.00 0.00 O ATOM 0 H GLU A 76 -3.275 13.663 2.168 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.463 13.113 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.702 11.834 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.349 11.230 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.002 10.925 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.828 9.999 2.673 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.523 13.072 5.349 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.814 12.804 6.642 1.00 0.00 C ATOM 1248 C LYS A 77 -1.625 11.292 6.821 1.00 0.00 C ATOM 1249 O LYS A 77 -1.921 10.748 7.868 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.709 13.378 7.749 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.836 13.894 8.894 1.00 0.00 C ATOM 1252 CD LYS A 77 -1.447 12.728 9.806 1.00 0.00 C ATOM 1253 CE LYS A 77 -1.202 13.249 11.224 1.00 0.00 C ATOM 1254 NZ LYS A 77 0.152 13.867 11.177 1.00 0.00 N ATOM 0 H LYS A 77 -2.012 13.661 4.691 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.825 13.263 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.323 14.187 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.391 12.610 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.941 14.372 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.375 14.651 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.239 11.979 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.550 12.239 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.959 13.978 11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.242 12.441 11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.811 13.303 11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.486 13.896 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.105 14.835 11.556 1.00 0.00 H new ATOM 1268 N PHE A 78 -1.142 10.608 5.800 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.943 9.116 5.922 1.00 0.00 C ATOM 1270 C PHE A 78 -0.039 8.789 7.123 1.00 0.00 C ATOM 1271 O PHE A 78 0.283 9.657 7.914 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.302 8.626 4.603 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.351 7.884 3.805 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -2.017 6.800 4.387 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.676 8.290 2.505 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -3.010 6.120 3.671 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.665 7.607 1.786 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.333 6.522 2.371 1.00 0.00 C ATOM 0 H PHE A 78 -0.880 11.010 4.900 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.896 8.614 6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.081 9.471 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.545 7.973 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.765 6.487 5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.164 9.129 2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.526 5.286 4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.913 7.916 0.781 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.097 5.997 1.818 1.00 0.00 H new ATOM 1288 N SER A 79 0.377 7.550 7.266 1.00 0.00 N ATOM 1289 CA SER A 79 1.251 7.190 8.416 1.00 0.00 C ATOM 1290 C SER A 79 2.704 7.260 7.962 1.00 0.00 C ATOM 1291 O SER A 79 2.964 7.546 6.809 1.00 0.00 O ATOM 1292 CB SER A 79 0.863 5.755 8.816 1.00 0.00 C ATOM 1293 OG SER A 79 0.268 5.774 10.106 1.00 0.00 O ATOM 0 H SER A 79 0.147 6.781 6.636 1.00 0.00 H new ATOM 0 HA SER A 79 1.131 7.864 9.264 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.168 5.337 8.088 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.745 5.114 8.819 1.00 0.00 H new ATOM 0 HG SER A 79 -0.686 5.562 10.029 1.00 0.00 H new ATOM 1299 N PRO A 80 3.615 6.991 8.862 1.00 0.00 N ATOM 1300 CA PRO A 80 5.042 7.030 8.487 1.00 0.00 C ATOM 1301 C PRO A 80 5.406 5.876 7.537 1.00 0.00 C ATOM 1302 O PRO A 80 6.444 5.916 6.902 1.00 0.00 O ATOM 1303 CB PRO A 80 5.767 6.912 9.815 1.00 0.00 C ATOM 1304 CG PRO A 80 4.807 6.226 10.727 1.00 0.00 C ATOM 1305 CD PRO A 80 3.430 6.630 10.281 1.00 0.00 C ATOM 0 HA PRO A 80 5.310 7.936 7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.688 6.339 9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.044 7.893 10.201 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.929 5.144 10.676 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.980 6.518 11.763 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.716 5.815 10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.051 7.471 10.862 1.00 0.00 H new ATOM 1313 N LEU A 81 4.569 4.859 7.405 1.00 0.00 N ATOM 1314 CA LEU A 81 4.903 3.753 6.471 1.00 0.00 C ATOM 1315 C LEU A 81 3.836 3.630 5.373 1.00 0.00 C ATOM 1316 O LEU A 81 3.674 2.569 4.796 1.00 0.00 O ATOM 1317 CB LEU A 81 4.923 2.493 7.335 1.00 0.00 C ATOM 1318 CG LEU A 81 6.366 2.190 7.764 1.00 0.00 C ATOM 1319 CD1 LEU A 81 6.388 0.994 8.722 1.00 0.00 C ATOM 1320 CD2 LEU A 81 7.212 1.869 6.524 1.00 0.00 C ATOM 0 H LEU A 81 3.684 4.760 7.903 1.00 0.00 H new ATOM 0 HA LEU A 81 5.855 3.921 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.292 2.631 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.513 1.650 6.778 1.00 0.00 H new ATOM 0 HG LEU A 81 6.778 3.062 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.415 0.786 9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.792 1.224 9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.972 0.120 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.236 1.654 6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.795 1.001 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.206 2.724 5.848 1.00 0.00 H new ATOM 1332 N THR A 82 3.104 4.690 5.067 1.00 0.00 N ATOM 1333 CA THR A 82 2.070 4.580 4.002 1.00 0.00 C ATOM 1334 C THR A 82 2.322 5.547 2.825 1.00 0.00 C ATOM 1335 O THR A 82 1.510 5.622 1.921 1.00 0.00 O ATOM 1336 CB THR A 82 0.732 4.872 4.698 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.831 4.564 6.095 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.361 4.010 4.043 1.00 0.00 C ATOM 0 H THR A 82 3.185 5.606 5.508 1.00 0.00 H new ATOM 0 HA THR A 82 2.085 3.588 3.550 1.00 0.00 H new ATOM 0 HB THR A 82 0.481 5.928 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.426 3.688 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.318 4.206 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.433 4.256 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.108 2.956 4.154 1.00 0.00 H new ATOM 1346 N SER A 83 3.445 6.251 2.782 1.00 0.00 N ATOM 1347 CA SER A 83 3.709 7.139 1.609 1.00 0.00 C ATOM 1348 C SER A 83 4.860 6.536 0.783 1.00 0.00 C ATOM 1349 O SER A 83 5.704 7.234 0.255 1.00 0.00 O ATOM 1350 CB SER A 83 4.089 8.501 2.187 1.00 0.00 C ATOM 1351 OG SER A 83 4.202 9.446 1.131 1.00 0.00 O ATOM 0 H SER A 83 4.171 6.243 3.499 1.00 0.00 H new ATOM 0 HA SER A 83 2.847 7.238 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.335 8.828 2.903 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.033 8.429 2.728 1.00 0.00 H new ATOM 0 HG SER A 83 4.703 9.049 0.389 1.00 0.00 H new ATOM 1357 N ASN A 84 4.864 5.231 0.655 1.00 0.00 N ATOM 1358 CA ASN A 84 5.910 4.520 -0.148 1.00 0.00 C ATOM 1359 C ASN A 84 5.193 3.358 -0.834 1.00 0.00 C ATOM 1360 O ASN A 84 5.067 3.322 -2.043 1.00 0.00 O ATOM 1361 CB ASN A 84 6.943 4.020 0.865 1.00 0.00 C ATOM 1362 CG ASN A 84 8.356 4.304 0.340 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.653 4.024 -0.804 1.00 0.00 O ATOM 1364 ND2 ASN A 84 9.249 4.851 1.128 1.00 0.00 N ATOM 0 H ASN A 84 4.172 4.616 1.082 1.00 0.00 H new ATOM 0 HA ASN A 84 6.405 5.135 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.795 4.514 1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.815 2.951 1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.189 5.040 0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.004 5.088 2.089 1.00 0.00 H new ATOM 1371 N LEU A 85 4.628 2.451 -0.050 1.00 0.00 N ATOM 1372 CA LEU A 85 3.813 1.353 -0.658 1.00 0.00 C ATOM 1373 C LEU A 85 2.679 1.999 -1.492 1.00 0.00 C ATOM 1374 O LEU A 85 2.222 1.422 -2.461 1.00 0.00 O ATOM 1375 CB LEU A 85 3.231 0.534 0.518 1.00 0.00 C ATOM 1376 CG LEU A 85 2.261 -0.532 -0.006 1.00 0.00 C ATOM 1377 CD1 LEU A 85 3.020 -1.531 -0.880 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.626 -1.270 1.176 1.00 0.00 C ATOM 0 H LEU A 85 4.699 2.431 0.967 1.00 0.00 H new ATOM 0 HA LEU A 85 4.399 0.707 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.039 0.059 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.714 1.197 1.211 1.00 0.00 H new ATOM 0 HG LEU A 85 1.482 -0.052 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.329 -2.288 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.472 -1.007 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.801 -2.011 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.936 -2.028 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.406 -1.749 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.083 -0.560 1.799 1.00 0.00 H new ATOM 1390 N ILE A 86 2.228 3.209 -1.137 1.00 0.00 N ATOM 1391 CA ILE A 86 1.142 3.855 -1.951 1.00 0.00 C ATOM 1392 C ILE A 86 1.614 4.023 -3.408 1.00 0.00 C ATOM 1393 O ILE A 86 0.841 3.844 -4.332 1.00 0.00 O ATOM 1394 CB ILE A 86 0.833 5.225 -1.302 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.384 5.852 -1.994 1.00 0.00 C ATOM 1396 CG2 ILE A 86 2.033 6.174 -1.431 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.260 6.556 -0.957 1.00 0.00 C ATOM 0 H ILE A 86 2.563 3.751 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 86 0.241 3.241 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 86 0.625 5.068 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.057 6.564 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.959 5.082 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.792 7.131 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.898 5.737 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.262 6.329 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.124 7.000 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.599 5.832 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.683 7.338 -0.463 1.00 0.00 H new ATOM 1409 N ASN A 87 2.877 4.348 -3.628 1.00 0.00 N ATOM 1410 CA ASN A 87 3.363 4.496 -5.044 1.00 0.00 C ATOM 1411 C ASN A 87 3.330 3.121 -5.725 1.00 0.00 C ATOM 1412 O ASN A 87 2.827 2.984 -6.823 1.00 0.00 O ATOM 1413 CB ASN A 87 4.806 5.023 -4.973 1.00 0.00 C ATOM 1414 CG ASN A 87 4.787 6.554 -4.882 1.00 0.00 C ATOM 1415 OD1 ASN A 87 3.854 7.185 -5.338 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.782 7.189 -4.310 1.00 0.00 N ATOM 0 H ASN A 87 3.576 4.513 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 87 2.738 5.182 -5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.316 4.603 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.364 4.707 -5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.770 8.207 -4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.568 6.665 -3.925 1.00 0.00 H new ATOM 1423 N LEU A 88 3.847 2.091 -5.073 1.00 0.00 N ATOM 1424 CA LEU A 88 3.823 0.712 -5.694 1.00 0.00 C ATOM 1425 C LEU A 88 2.395 0.363 -6.138 1.00 0.00 C ATOM 1426 O LEU A 88 2.195 -0.202 -7.198 1.00 0.00 O ATOM 1427 CB LEU A 88 4.286 -0.279 -4.611 1.00 0.00 C ATOM 1428 CG LEU A 88 5.761 -0.621 -4.823 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.624 0.579 -4.431 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.133 -1.824 -3.952 1.00 0.00 C ATOM 0 H LEU A 88 4.279 2.144 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 88 4.473 0.669 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.142 0.155 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.683 -1.186 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 88 5.932 -0.863 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.676 0.336 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.358 1.436 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.455 0.822 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.184 -2.070 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.963 -1.580 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.517 -2.679 -4.231 1.00 0.00 H new ATOM 1442 N LEU A 89 1.396 0.707 -5.345 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.016 0.393 -5.760 1.00 0.00 C ATOM 1444 C LEU A 89 -0.331 1.128 -7.070 1.00 0.00 C ATOM 1445 O LEU A 89 -0.955 0.576 -7.957 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.932 0.884 -4.631 1.00 0.00 C ATOM 1447 CG LEU A 89 -1.071 -0.224 -3.588 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.718 0.343 -2.322 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.947 -1.343 -4.155 1.00 0.00 C ATOM 0 H LEU A 89 1.495 1.181 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.160 -0.674 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.518 1.782 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.911 1.152 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.086 -0.621 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.817 -0.448 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.094 1.142 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.704 0.739 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.049 -2.136 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.932 -0.946 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.485 -1.746 -5.056 1.00 0.00 H new ATOM 1461 N ALA A 90 0.118 2.358 -7.214 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.136 3.097 -8.487 1.00 0.00 C ATOM 1463 C ALA A 90 1.161 3.177 -9.316 1.00 0.00 C ATOM 1464 O ALA A 90 1.358 4.120 -10.061 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.603 4.497 -8.067 1.00 0.00 C ATOM 0 H ALA A 90 0.644 2.873 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.882 2.601 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.808 5.094 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.511 4.414 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.177 4.979 -7.478 1.00 0.00 H new ATOM 1471 N GLU A 91 2.050 2.201 -9.203 1.00 0.00 N ATOM 1472 CA GLU A 91 3.319 2.252 -10.002 1.00 0.00 C ATOM 1473 C GLU A 91 3.215 1.321 -11.222 1.00 0.00 C ATOM 1474 O GLU A 91 3.542 1.712 -12.327 1.00 0.00 O ATOM 1475 CB GLU A 91 4.433 1.778 -9.057 1.00 0.00 C ATOM 1476 CG GLU A 91 5.779 1.804 -9.788 1.00 0.00 C ATOM 1477 CD GLU A 91 6.191 3.254 -10.049 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.212 4.023 -9.102 1.00 0.00 O ATOM 1479 OE2 GLU A 91 6.478 3.571 -11.192 1.00 0.00 O ATOM 0 H GLU A 91 1.948 1.385 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 91 3.518 3.256 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.474 2.420 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.219 0.769 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.539 1.301 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.704 1.261 -10.730 1.00 0.00 H new ATOM 1486 N ASN A 92 2.765 0.095 -11.038 1.00 0.00 N ATOM 1487 CA ASN A 92 2.653 -0.838 -12.204 1.00 0.00 C ATOM 1488 C ASN A 92 1.181 -1.176 -12.513 1.00 0.00 C ATOM 1489 O ASN A 92 0.891 -2.238 -13.031 1.00 0.00 O ATOM 1490 CB ASN A 92 3.410 -2.098 -11.778 1.00 0.00 C ATOM 1491 CG ASN A 92 4.878 -1.982 -12.205 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.261 -2.502 -13.235 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.727 -1.318 -11.459 1.00 0.00 N ATOM 0 H ASN A 92 2.475 -0.292 -10.140 1.00 0.00 H new ATOM 0 HA ASN A 92 3.061 -0.393 -13.112 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.344 -2.227 -10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.956 -2.979 -12.233 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.703 -1.240 -11.744 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.411 -0.880 -10.594 1.00 0.00 H new ATOM 1500 N GLY A 93 0.246 -0.292 -12.209 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.184 -0.590 -12.500 1.00 0.00 C ATOM 1502 C GLY A 93 -1.742 -1.502 -11.407 1.00 0.00 C ATOM 1503 O GLY A 93 -2.344 -2.520 -11.696 1.00 0.00 O ATOM 0 H GLY A 93 0.421 0.614 -11.775 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.758 0.335 -12.546 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.276 -1.071 -13.474 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.555 -1.153 -10.149 1.00 0.00 N ATOM 1508 CA ARG A 94 -2.090 -2.021 -9.056 1.00 0.00 C ATOM 1509 C ARG A 94 -3.333 -1.380 -8.405 1.00 0.00 C ATOM 1510 O ARG A 94 -3.585 -1.580 -7.231 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.948 -2.156 -8.035 1.00 0.00 C ATOM 1512 CG ARG A 94 -0.561 -3.632 -7.880 1.00 0.00 C ATOM 1513 CD ARG A 94 0.636 -3.948 -8.782 1.00 0.00 C ATOM 1514 NE ARG A 94 0.335 -5.284 -9.367 1.00 0.00 N ATOM 1515 CZ ARG A 94 1.087 -6.309 -9.072 1.00 0.00 C ATOM 1516 NH1 ARG A 94 1.402 -6.553 -7.830 1.00 0.00 N ATOM 1517 NH2 ARG A 94 1.525 -7.091 -10.022 1.00 0.00 N ATOM 0 H ARG A 94 -1.061 -0.315 -9.841 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.405 -2.993 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.085 -1.577 -8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.258 -1.749 -7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.312 -3.846 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.405 -4.269 -8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.754 -3.194 -9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.565 -3.967 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.458 -5.398 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.060 -5.942 -7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.990 -7.355 -7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.279 -6.900 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.113 -7.892 -9.792 1.00 0.00 H new ATOM 1531 N LEU A 95 -4.127 -0.636 -9.156 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.358 -0.027 -8.561 1.00 0.00 C ATOM 1533 C LEU A 95 -6.578 -0.800 -9.072 1.00 0.00 C ATOM 1534 O LEU A 95 -7.213 -0.432 -10.039 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.379 1.434 -9.021 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.299 2.218 -8.270 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -4.146 3.605 -8.897 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.703 2.366 -6.802 1.00 0.00 C ATOM 0 H LEU A 95 -3.972 -0.430 -10.143 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.371 -0.072 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.205 1.491 -10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.359 1.872 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.352 1.683 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.377 4.163 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.858 3.502 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.094 4.140 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.934 2.924 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.651 2.901 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.813 1.379 -6.353 1.00 0.00 H new ATOM 1550 N THR A 96 -6.883 -1.881 -8.409 1.00 0.00 N ATOM 1551 CA THR A 96 -8.046 -2.748 -8.801 1.00 0.00 C ATOM 1552 C THR A 96 -8.254 -3.791 -7.695 1.00 0.00 C ATOM 1553 O THR A 96 -9.325 -3.910 -7.131 1.00 0.00 O ATOM 1554 CB THR A 96 -7.635 -3.420 -10.115 1.00 0.00 C ATOM 1555 OG1 THR A 96 -6.217 -3.444 -10.214 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.219 -2.642 -11.297 1.00 0.00 C ATOM 0 H THR A 96 -6.368 -2.212 -7.593 1.00 0.00 H new ATOM 0 HA THR A 96 -8.975 -2.193 -8.928 1.00 0.00 H new ATOM 0 HB THR A 96 -8.017 -4.441 -10.132 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.955 -3.875 -11.054 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.925 -3.123 -12.230 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.306 -2.629 -11.223 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.842 -1.619 -11.281 1.00 0.00 H new ATOM 1564 N ASN A 97 -7.195 -4.496 -7.330 1.00 0.00 N ATOM 1565 CA ASN A 97 -7.298 -5.465 -6.204 1.00 0.00 C ATOM 1566 C ASN A 97 -6.781 -4.803 -4.900 1.00 0.00 C ATOM 1567 O ASN A 97 -6.420 -5.499 -3.971 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.407 -6.653 -6.592 1.00 0.00 C ATOM 1569 CG ASN A 97 -7.076 -7.449 -7.719 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.911 -8.294 -7.462 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.747 -7.218 -8.967 1.00 0.00 N ATOM 0 H ASN A 97 -6.276 -4.434 -7.767 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.326 -5.782 -6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.429 -6.297 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.243 -7.295 -5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.191 -7.747 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.047 -6.510 -9.187 1.00 0.00 H new ATOM 1578 N THR A 98 -6.734 -3.461 -4.822 1.00 0.00 N ATOM 1579 CA THR A 98 -6.239 -2.755 -3.573 1.00 0.00 C ATOM 1580 C THR A 98 -6.664 -3.469 -2.270 1.00 0.00 C ATOM 1581 O THR A 98 -5.821 -3.758 -1.443 1.00 0.00 O ATOM 1582 CB THR A 98 -6.846 -1.333 -3.611 1.00 0.00 C ATOM 1583 OG1 THR A 98 -7.539 -1.139 -4.840 1.00 0.00 O ATOM 1584 CG2 THR A 98 -5.732 -0.290 -3.489 1.00 0.00 C ATOM 0 H THR A 98 -7.020 -2.836 -5.575 1.00 0.00 H new ATOM 0 HA THR A 98 -5.149 -2.746 -3.568 1.00 0.00 H new ATOM 0 HB THR A 98 -7.541 -1.221 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.047 -0.499 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.165 0.710 -3.516 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.203 -0.431 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.033 -0.405 -4.318 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.945 -3.745 -2.115 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.409 -4.439 -0.883 1.00 0.00 C ATOM 1594 C PRO A 99 -7.759 -5.829 -0.783 1.00 0.00 C ATOM 1595 O PRO A 99 -7.390 -6.260 0.294 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.927 -4.514 -1.056 1.00 0.00 C ATOM 1597 CG PRO A 99 -10.138 -4.403 -2.528 1.00 0.00 C ATOM 1598 CD PRO A 99 -9.069 -3.468 -3.026 1.00 0.00 C ATOM 0 HA PRO A 99 -8.137 -3.926 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.326 -5.451 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.428 -3.708 -0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.060 -5.378 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.132 -4.016 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.807 -3.669 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.386 -2.426 -2.973 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.582 -6.525 -1.892 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.909 -7.874 -1.821 1.00 0.00 C ATOM 1608 C ALA A 100 -5.486 -7.702 -1.253 1.00 0.00 C ATOM 1609 O ALA A 100 -5.013 -8.533 -0.502 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.845 -8.418 -3.256 1.00 0.00 C ATOM 0 H ALA A 100 -7.868 -6.226 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.456 -8.561 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.364 -9.396 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.855 -8.512 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.271 -7.733 -3.880 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.802 -6.620 -1.595 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.413 -6.410 -1.046 1.00 0.00 C ATOM 1618 C VAL A 101 -3.489 -6.196 0.476 1.00 0.00 C ATOM 1619 O VAL A 101 -2.666 -6.702 1.216 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.848 -5.145 -1.725 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.423 -4.878 -1.223 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.827 -5.342 -3.246 1.00 0.00 C ATOM 0 H VAL A 101 -5.140 -5.888 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.777 -7.273 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.482 -4.293 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.029 -3.984 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.439 -4.730 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.787 -5.730 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.428 -4.447 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.198 -6.197 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.841 -5.522 -3.604 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.468 -5.450 0.949 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.577 -5.213 2.434 1.00 0.00 C ATOM 1634 C ILE A 102 -5.036 -6.498 3.152 1.00 0.00 C ATOM 1635 O ILE A 102 -4.632 -6.754 4.271 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.615 -4.092 2.629 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.156 -2.834 1.878 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.752 -3.769 4.119 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.370 -2.112 1.283 1.00 0.00 C ATOM 0 H ILE A 102 -5.187 -5.001 0.382 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.612 -4.931 2.855 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.578 -4.422 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.622 -2.169 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.459 -3.107 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.487 -2.975 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.078 -4.660 4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.789 -3.441 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.038 -1.220 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.885 -2.777 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.051 -1.825 2.084 1.00 0.00 H new ATOM 1651 N SER A 103 -5.876 -7.312 2.530 1.00 0.00 N ATOM 1652 CA SER A 103 -6.338 -8.577 3.218 1.00 0.00 C ATOM 1653 C SER A 103 -5.122 -9.422 3.621 1.00 0.00 C ATOM 1654 O SER A 103 -5.058 -9.931 4.725 1.00 0.00 O ATOM 1655 CB SER A 103 -7.203 -9.343 2.207 1.00 0.00 C ATOM 1656 OG SER A 103 -8.483 -8.728 2.123 1.00 0.00 O ATOM 0 H SER A 103 -6.254 -7.159 1.595 1.00 0.00 H new ATOM 0 HA SER A 103 -6.905 -8.351 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.723 -9.345 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.306 -10.384 2.514 1.00 0.00 H new ATOM 0 HG SER A 103 -8.415 -7.900 1.603 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.143 -9.557 2.747 1.00 0.00 N ATOM 1663 CA ALA A 104 -2.921 -10.359 3.121 1.00 0.00 C ATOM 1664 C ALA A 104 -2.245 -9.721 4.351 1.00 0.00 C ATOM 1665 O ALA A 104 -1.712 -10.414 5.197 1.00 0.00 O ATOM 1666 CB ALA A 104 -1.972 -10.316 1.913 1.00 0.00 C ATOM 0 H ALA A 104 -4.134 -9.156 1.809 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.181 -11.388 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.070 -10.885 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.468 -10.750 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.704 -9.282 1.698 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.271 -8.403 4.464 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.635 -7.732 5.657 1.00 0.00 C ATOM 1674 C PHE A 105 -2.257 -8.273 6.947 1.00 0.00 C ATOM 1675 O PHE A 105 -1.554 -8.622 7.878 1.00 0.00 O ATOM 1676 CB PHE A 105 -1.951 -6.232 5.517 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.003 -5.407 6.351 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.008 -5.512 7.747 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.127 -4.520 5.722 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.135 -4.728 8.505 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.746 -3.742 6.478 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.741 -3.845 7.869 1.00 0.00 C ATOM 0 H PHE A 105 -2.700 -7.770 3.789 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.561 -7.915 5.697 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.875 -5.935 4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.978 -6.041 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.685 -6.197 8.236 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.127 -4.437 4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.137 -4.804 9.582 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.426 -3.060 5.988 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.416 -3.240 8.456 1.00 0.00 H new ATOM 1692 N SER A 106 -3.570 -8.354 7.010 1.00 0.00 N ATOM 1693 CA SER A 106 -4.216 -8.889 8.258 1.00 0.00 C ATOM 1694 C SER A 106 -3.844 -10.368 8.454 1.00 0.00 C ATOM 1695 O SER A 106 -3.723 -10.827 9.574 1.00 0.00 O ATOM 1696 CB SER A 106 -5.734 -8.743 8.074 1.00 0.00 C ATOM 1697 OG SER A 106 -6.365 -8.762 9.347 1.00 0.00 O ATOM 0 H SER A 106 -4.212 -8.079 6.266 1.00 0.00 H new ATOM 0 HA SER A 106 -3.877 -8.342 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.961 -7.811 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.116 -9.554 7.454 1.00 0.00 H new ATOM 0 HG SER A 106 -7.334 -8.667 9.233 1.00 0.00 H new ATOM 1703 N THR A 107 -3.656 -11.123 7.384 1.00 0.00 N ATOM 1704 CA THR A 107 -3.287 -12.569 7.562 1.00 0.00 C ATOM 1705 C THR A 107 -1.836 -12.684 8.025 1.00 0.00 C ATOM 1706 O THR A 107 -1.546 -13.428 8.945 1.00 0.00 O ATOM 1707 CB THR A 107 -3.481 -13.261 6.201 1.00 0.00 C ATOM 1708 OG1 THR A 107 -4.817 -13.057 5.753 1.00 0.00 O ATOM 1709 CG2 THR A 107 -3.218 -14.762 6.346 1.00 0.00 C ATOM 0 H THR A 107 -3.741 -10.806 6.418 1.00 0.00 H new ATOM 0 HA THR A 107 -3.913 -13.042 8.319 1.00 0.00 H new ATOM 0 HB THR A 107 -2.784 -12.839 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.912 -12.143 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.356 -15.250 5.381 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.196 -14.921 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.915 -15.185 7.070 1.00 0.00 H new ATOM 1717 N MET A 108 -0.918 -11.939 7.436 1.00 0.00 N ATOM 1718 CA MET A 108 0.494 -12.029 7.927 1.00 0.00 C ATOM 1719 C MET A 108 0.598 -11.263 9.249 1.00 0.00 C ATOM 1720 O MET A 108 1.331 -11.659 10.137 1.00 0.00 O ATOM 1721 CB MET A 108 1.403 -11.403 6.866 1.00 0.00 C ATOM 1722 CG MET A 108 2.824 -11.972 7.024 1.00 0.00 C ATOM 1723 SD MET A 108 3.135 -13.224 5.751 1.00 0.00 S ATOM 1724 CE MET A 108 1.766 -14.328 6.176 1.00 0.00 C ATOM 0 H MET A 108 -1.082 -11.295 6.662 1.00 0.00 H new ATOM 0 HA MET A 108 0.794 -13.063 8.095 1.00 0.00 H new ATOM 0 HB2 MET A 108 1.020 -11.618 5.868 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.417 -10.319 6.975 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.557 -11.169 6.943 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.941 -12.412 8.015 1.00 0.00 H new ATOM 0 HE1 MET A 108 1.870 -15.264 5.628 1.00 0.00 H new ATOM 0 HE2 MET A 108 1.781 -14.531 7.247 1.00 0.00 H new ATOM 0 HE3 MET A 108 0.821 -13.855 5.910 1.00 0.00 H new ATOM 1734 N MET A 109 -0.148 -10.175 9.410 1.00 0.00 N ATOM 1735 CA MET A 109 -0.086 -9.422 10.709 1.00 0.00 C ATOM 1736 C MET A 109 -0.417 -10.385 11.862 1.00 0.00 C ATOM 1737 O MET A 109 0.206 -10.342 12.896 1.00 0.00 O ATOM 1738 CB MET A 109 -1.139 -8.302 10.630 1.00 0.00 C ATOM 1739 CG MET A 109 -1.122 -7.482 11.925 1.00 0.00 C ATOM 1740 SD MET A 109 -2.328 -8.163 13.093 1.00 0.00 S ATOM 1741 CE MET A 109 -3.270 -6.641 13.360 1.00 0.00 C ATOM 0 H MET A 109 -0.781 -9.789 8.709 1.00 0.00 H new ATOM 0 HA MET A 109 0.904 -9.001 10.884 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.933 -7.656 9.777 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.129 -8.731 10.473 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.125 -7.499 12.365 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.357 -6.440 11.710 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.492 -6.532 14.422 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.684 -5.786 13.022 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.202 -6.687 12.797 1.00 0.00 H new ATOM 1751 N SER A 110 -1.375 -11.281 11.690 1.00 0.00 N ATOM 1752 CA SER A 110 -1.679 -12.243 12.814 1.00 0.00 C ATOM 1753 C SER A 110 -0.427 -13.073 13.148 1.00 0.00 C ATOM 1754 O SER A 110 -0.189 -13.393 14.298 1.00 0.00 O ATOM 1755 CB SER A 110 -2.812 -13.156 12.333 1.00 0.00 C ATOM 1756 OG SER A 110 -2.288 -14.116 11.425 1.00 0.00 O ATOM 0 H SER A 110 -1.942 -11.387 10.849 1.00 0.00 H new ATOM 0 HA SER A 110 -1.975 -11.708 13.717 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.276 -13.657 13.182 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.589 -12.566 11.848 1.00 0.00 H new ATOM 0 HG SER A 110 -1.987 -13.664 10.609 1.00 0.00 H new ATOM 1762 N VAL A 111 0.386 -13.410 12.165 1.00 0.00 N ATOM 1763 CA VAL A 111 1.627 -14.204 12.472 1.00 0.00 C ATOM 1764 C VAL A 111 2.705 -13.321 13.138 1.00 0.00 C ATOM 1765 O VAL A 111 3.685 -13.841 13.642 1.00 0.00 O ATOM 1766 CB VAL A 111 2.143 -14.756 11.131 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.362 -15.647 11.377 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.041 -15.582 10.460 1.00 0.00 C ATOM 0 H VAL A 111 0.247 -13.175 11.182 1.00 0.00 H new ATOM 0 HA VAL A 111 1.400 -15.009 13.172 1.00 0.00 H new ATOM 0 HB VAL A 111 2.424 -13.925 10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.726 -16.037 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.149 -15.063 11.855 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.081 -16.477 12.026 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.406 -15.973 9.510 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.761 -16.411 11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.171 -14.951 10.282 1.00 0.00 H new ATOM 1778 N HIS A 112 2.546 -12.004 13.175 1.00 0.00 N ATOM 1779 CA HIS A 112 3.577 -11.159 13.840 1.00 0.00 C ATOM 1780 C HIS A 112 3.297 -11.087 15.364 1.00 0.00 C ATOM 1781 O HIS A 112 4.194 -10.805 16.138 1.00 0.00 O ATOM 1782 CB HIS A 112 3.500 -9.777 13.125 1.00 0.00 C ATOM 1783 CG HIS A 112 2.808 -8.733 13.965 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.496 -8.846 14.382 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.263 -7.570 14.489 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.213 -7.771 15.130 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.261 -6.953 15.230 1.00 0.00 N ATOM 0 H HIS A 112 1.755 -11.498 12.776 1.00 0.00 H new ATOM 0 HA HIS A 112 4.587 -11.560 13.756 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.508 -9.438 12.886 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.969 -9.889 12.180 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.858 -9.610 14.160 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.260 -7.178 14.351 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.255 -7.590 15.594 1.00 0.00 H new ATOM 1795 N ARG A 113 2.071 -11.343 15.807 1.00 0.00 N ATOM 1796 CA ARG A 113 1.798 -11.279 17.283 1.00 0.00 C ATOM 1797 C ARG A 113 2.297 -12.562 17.968 1.00 0.00 C ATOM 1798 O ARG A 113 2.787 -12.516 19.082 1.00 0.00 O ATOM 1799 CB ARG A 113 0.276 -11.146 17.446 1.00 0.00 C ATOM 1800 CG ARG A 113 -0.040 -10.496 18.795 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.216 -8.988 18.607 1.00 0.00 C ATOM 1802 NE ARG A 113 -0.028 -8.406 19.965 1.00 0.00 N ATOM 1803 CZ ARG A 113 -1.039 -8.320 20.785 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -2.008 -7.481 20.540 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -1.081 -9.073 21.850 1.00 0.00 N ATOM 0 H ARG A 113 1.272 -11.587 15.221 1.00 0.00 H new ATOM 0 HA ARG A 113 2.314 -10.436 17.742 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.136 -10.544 16.636 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.194 -12.128 17.385 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.948 -10.929 19.215 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.765 -10.693 19.503 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.514 -8.590 17.902 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.203 -8.752 18.210 1.00 0.00 H new ATOM 0 HE ARG A 113 0.892 -8.074 20.254 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.975 -6.893 19.707 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.799 -7.414 21.181 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.323 -9.729 22.041 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.871 -9.006 22.491 1.00 0.00 H new ATOM 1819 N GLY A 114 2.181 -13.708 17.321 1.00 0.00 N ATOM 1820 CA GLY A 114 2.656 -14.974 17.958 1.00 0.00 C ATOM 1821 C GLY A 114 3.979 -15.417 17.313 1.00 0.00 C ATOM 1822 O GLY A 114 4.190 -16.592 17.083 1.00 0.00 O ATOM 0 H GLY A 114 1.781 -13.813 16.389 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.795 -14.823 19.028 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.905 -15.755 17.841 1.00 0.00 H new ATOM 2000 N GLU B 7 9.092 -8.203 -6.381 1.00 0.00 N ATOM 2001 CA GLU B 7 9.002 -7.941 -4.906 1.00 0.00 C ATOM 2002 C GLU B 7 9.772 -6.660 -4.560 1.00 0.00 C ATOM 2003 O GLU B 7 10.588 -6.645 -3.656 1.00 0.00 O ATOM 2004 CB GLU B 7 9.628 -9.163 -4.224 1.00 0.00 C ATOM 2005 CG GLU B 7 8.605 -10.300 -4.176 1.00 0.00 C ATOM 2006 CD GLU B 7 7.733 -10.151 -2.929 1.00 0.00 C ATOM 2007 OE1 GLU B 7 8.107 -10.690 -1.900 1.00 0.00 O ATOM 2008 OE2 GLU B 7 6.705 -9.499 -3.023 1.00 0.00 O ATOM 0 HA GLU B 7 7.974 -7.796 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU B 7 10.517 -9.482 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU B 7 9.949 -8.905 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU B 7 7.984 -10.282 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU B 7 9.116 -11.263 -4.162 1.00 0.00 H new ATOM 2015 N VAL B 8 9.519 -5.581 -5.276 1.00 0.00 N ATOM 2016 CA VAL B 8 10.251 -4.294 -4.977 1.00 0.00 C ATOM 2017 C VAL B 8 10.012 -3.894 -3.515 1.00 0.00 C ATOM 2018 O VAL B 8 10.929 -3.488 -2.826 1.00 0.00 O ATOM 2019 CB VAL B 8 9.689 -3.224 -5.932 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.382 -1.884 -5.669 1.00 0.00 C ATOM 2021 CG2 VAL B 8 9.952 -3.651 -7.377 1.00 0.00 C ATOM 0 H VAL B 8 8.848 -5.533 -6.043 1.00 0.00 H new ATOM 0 HA VAL B 8 11.326 -4.404 -5.121 1.00 0.00 H new ATOM 0 HB VAL B 8 8.617 -3.117 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.983 -1.129 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL B 8 10.203 -1.578 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL B 8 11.454 -1.990 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL B 8 9.556 -2.897 -8.057 1.00 0.00 H new ATOM 0 HG22 VAL B 8 11.025 -3.755 -7.536 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.462 -4.606 -7.569 1.00 0.00 H new ATOM 2031 N SER B 9 8.792 -4.025 -3.024 1.00 0.00 N ATOM 2032 CA SER B 9 8.530 -3.663 -1.581 1.00 0.00 C ATOM 2033 C SER B 9 9.479 -4.469 -0.675 1.00 0.00 C ATOM 2034 O SER B 9 9.990 -3.956 0.303 1.00 0.00 O ATOM 2035 CB SER B 9 7.070 -4.033 -1.285 1.00 0.00 C ATOM 2036 OG SER B 9 6.681 -3.458 -0.044 1.00 0.00 O ATOM 0 H SER B 9 7.982 -4.359 -3.546 1.00 0.00 H new ATOM 0 HA SER B 9 8.701 -2.602 -1.397 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.422 -3.673 -2.084 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.958 -5.117 -1.248 1.00 0.00 H new ATOM 0 HG SER B 9 5.852 -3.879 0.266 1.00 0.00 H new ATOM 2042 N SER B 10 9.737 -5.721 -1.007 1.00 0.00 N ATOM 2043 CA SER B 10 10.681 -6.534 -0.164 1.00 0.00 C ATOM 2044 C SER B 10 12.107 -5.999 -0.347 1.00 0.00 C ATOM 2045 O SER B 10 12.846 -5.853 0.609 1.00 0.00 O ATOM 2046 CB SER B 10 10.591 -7.977 -0.678 1.00 0.00 C ATOM 2047 OG SER B 10 11.449 -8.807 0.095 1.00 0.00 O ATOM 0 H SER B 10 9.341 -6.206 -1.812 1.00 0.00 H new ATOM 0 HA SER B 10 10.427 -6.481 0.895 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.564 -8.335 -0.612 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.876 -8.019 -1.729 1.00 0.00 H new ATOM 0 HG SER B 10 11.392 -9.730 -0.231 1.00 0.00 H new ATOM 2053 N ILE B 11 12.498 -5.691 -1.569 1.00 0.00 N ATOM 2054 CA ILE B 11 13.885 -5.148 -1.792 1.00 0.00 C ATOM 2055 C ILE B 11 14.022 -3.792 -1.077 1.00 0.00 C ATOM 2056 O ILE B 11 15.055 -3.496 -0.506 1.00 0.00 O ATOM 2057 CB ILE B 11 14.057 -4.981 -3.314 1.00 0.00 C ATOM 2058 CG1 ILE B 11 13.917 -6.347 -3.996 1.00 0.00 C ATOM 2059 CG2 ILE B 11 15.440 -4.404 -3.624 1.00 0.00 C ATOM 2060 CD1 ILE B 11 13.219 -6.176 -5.348 1.00 0.00 C ATOM 0 H ILE B 11 11.927 -5.790 -2.408 1.00 0.00 H new ATOM 0 HA ILE B 11 14.649 -5.815 -1.394 1.00 0.00 H new ATOM 0 HB ILE B 11 13.291 -4.301 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE B 11 14.900 -6.797 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.344 -7.024 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE B 11 15.553 -4.289 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE B 11 15.545 -3.432 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE B 11 16.209 -5.080 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE B 11 13.120 -7.148 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE B 11 12.230 -5.745 -5.195 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.810 -5.514 -5.981 1.00 0.00 H new ATOM 2072 N LEU B 12 12.989 -2.967 -1.094 1.00 0.00 N ATOM 2073 CA LEU B 12 13.090 -1.634 -0.395 1.00 0.00 C ATOM 2074 C LEU B 12 13.400 -1.839 1.099 1.00 0.00 C ATOM 2075 O LEU B 12 14.129 -1.065 1.690 1.00 0.00 O ATOM 2076 CB LEU B 12 11.728 -0.941 -0.559 1.00 0.00 C ATOM 2077 CG LEU B 12 11.606 -0.382 -1.978 1.00 0.00 C ATOM 2078 CD1 LEU B 12 10.129 -0.290 -2.366 1.00 0.00 C ATOM 2079 CD2 LEU B 12 12.235 1.011 -2.032 1.00 0.00 C ATOM 0 H LEU B 12 12.097 -3.154 -1.552 1.00 0.00 H new ATOM 0 HA LEU B 12 13.891 -1.031 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU B 12 10.922 -1.649 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU B 12 11.627 -0.137 0.170 1.00 0.00 H new ATOM 0 HG LEU B 12 12.123 -1.042 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU B 12 10.043 0.108 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU B 12 9.680 -1.283 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU B 12 9.611 0.370 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU B 12 12.149 1.410 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU B 12 11.718 1.671 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU B 12 13.288 0.946 -1.756 1.00 0.00 H new ATOM 2091 N GLU B 13 12.855 -2.872 1.722 1.00 0.00 N ATOM 2092 CA GLU B 13 13.143 -3.095 3.187 1.00 0.00 C ATOM 2093 C GLU B 13 14.656 -3.246 3.409 1.00 0.00 C ATOM 2094 O GLU B 13 15.199 -2.720 4.362 1.00 0.00 O ATOM 2095 CB GLU B 13 12.418 -4.391 3.591 1.00 0.00 C ATOM 2096 CG GLU B 13 12.606 -4.639 5.091 1.00 0.00 C ATOM 2097 CD GLU B 13 12.771 -6.140 5.346 1.00 0.00 C ATOM 2098 OE1 GLU B 13 11.809 -6.863 5.147 1.00 0.00 O ATOM 2099 OE2 GLU B 13 13.856 -6.538 5.735 1.00 0.00 O ATOM 0 H GLU B 13 12.236 -3.557 1.289 1.00 0.00 H new ATOM 0 HA GLU B 13 12.800 -2.252 3.786 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.357 -4.315 3.355 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.811 -5.233 3.021 1.00 0.00 H new ATOM 0 HG2 GLU B 13 13.482 -4.100 5.452 1.00 0.00 H new ATOM 0 HG3 GLU B 13 11.747 -4.258 5.643 1.00 0.00 H new ATOM 2106 N GLU B 14 15.345 -3.957 2.537 1.00 0.00 N ATOM 2107 CA GLU B 14 16.832 -4.121 2.723 1.00 0.00 C ATOM 2108 C GLU B 14 17.521 -2.748 2.664 1.00 0.00 C ATOM 2109 O GLU B 14 18.436 -2.481 3.420 1.00 0.00 O ATOM 2110 CB GLU B 14 17.328 -5.012 1.573 1.00 0.00 C ATOM 2111 CG GLU B 14 17.057 -6.479 1.909 1.00 0.00 C ATOM 2112 CD GLU B 14 17.482 -7.361 0.734 1.00 0.00 C ATOM 2113 OE1 GLU B 14 17.184 -6.998 -0.392 1.00 0.00 O ATOM 2114 OE2 GLU B 14 18.098 -8.385 0.980 1.00 0.00 O ATOM 0 H GLU B 14 14.952 -4.423 1.719 1.00 0.00 H new ATOM 0 HA GLU B 14 17.061 -4.570 3.690 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.823 -4.741 0.646 1.00 0.00 H new ATOM 0 HB3 GLU B 14 18.395 -4.856 1.412 1.00 0.00 H new ATOM 0 HG2 GLU B 14 17.604 -6.764 2.807 1.00 0.00 H new ATOM 0 HG3 GLU B 14 15.998 -6.624 2.122 1.00 0.00 H new