USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 596 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 45 HIS : no HD1:sc= -4.25! C(o=-6.6!,f=-8.5!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 154:sc= -2.37 (180deg=-2.72!) USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.971 (180deg=-1.28) USER MOD Single : A 19 TYR OH : rot -142:sc= 0.741 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0508 K(o=-0.051,f=-1.4!) USER MOD Single : A 30 MET CE :methyl 164:sc= -0.0299 (180deg=-0.228) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.114 K(o=-0.11,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00496 K(o=-0.005,f=-1) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.315) USER MOD Single : A 49 GLN : amide:sc= 0.305 K(o=0.31,f=-0.57) USER MOD Single : A 50 SER OG : rot 36:sc= 0.919 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 58 MET CE :methyl -150:sc= -0.458 (180deg=-1.84!) USER MOD Single : A 61 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.803 F(o=-1.5,f=-0.8) USER MOD Single : A 70 GLN : amide:sc= -0.525 K(o=-0.53,f=-4.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.705 K(o=-0.7,f=-2.5!) USER MOD Single : A 80 THR OG1 : rot 76:sc= -0.0144 USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0132) USER MOD Single : A 82 LYS NZ :NH3+ -108:sc= -0.151 (180deg=-0.697) USER MOD Single : A 83 LYS NZ :NH3+ -138:sc= -0.153 (180deg=-2.19!) USER MOD Single : A 84 TYR OH : rot 31:sc= 0.382 USER MOD Single : A 87 GLN : amide:sc= -0.0173 K(o=-0.017,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 4.746 5.202 3.646 1.00 0.00 N ATOM 200 CA LYS A 16 3.990 4.050 4.121 1.00 0.00 C ATOM 201 C LYS A 16 4.842 3.183 5.043 1.00 0.00 C ATOM 202 O LYS A 16 5.902 2.695 4.648 1.00 0.00 O ATOM 203 CB LYS A 16 3.491 3.217 2.938 1.00 0.00 C ATOM 204 CG LYS A 16 2.575 2.075 3.341 1.00 0.00 C ATOM 205 CD LYS A 16 1.585 1.739 2.238 1.00 0.00 C ATOM 206 CE LYS A 16 0.307 2.553 2.368 1.00 0.00 C ATOM 207 NZ LYS A 16 0.564 4.014 2.228 1.00 0.00 N ATOM 0 HA LYS A 16 3.133 4.418 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.961 3.869 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.349 2.811 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.172 1.194 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.033 2.344 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.042 1.930 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.346 0.676 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.405 2.235 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.152 2.356 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.337 4.513 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.023 4.370 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.186 4.180 1.411 1.00 0.00 H new ATOM 221 N ASP A 17 4.372 2.993 6.271 1.00 0.00 N ATOM 222 CA ASP A 17 5.090 2.183 7.248 1.00 0.00 C ATOM 223 C ASP A 17 4.870 0.696 6.987 1.00 0.00 C ATOM 224 O ASP A 17 3.879 0.118 7.431 1.00 0.00 O ATOM 225 CB ASP A 17 4.639 2.536 8.666 1.00 0.00 C ATOM 226 CG ASP A 17 5.162 3.885 9.120 1.00 0.00 C ATOM 227 OD1 ASP A 17 4.751 4.909 8.536 1.00 0.00 O ATOM 228 OD2 ASP A 17 5.983 3.916 10.061 1.00 0.00 O ATOM 0 H ASP A 17 3.497 3.389 6.614 1.00 0.00 H new ATOM 0 HA ASP A 17 6.154 2.398 7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.550 2.539 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.982 1.765 9.356 1.00 0.00 H new ATOM 233 N TRP A 18 5.800 0.084 6.263 1.00 0.00 N ATOM 234 CA TRP A 18 5.707 -1.336 5.941 1.00 0.00 C ATOM 235 C TRP A 18 5.868 -2.189 7.195 1.00 0.00 C ATOM 236 O TRP A 18 5.113 -3.138 7.412 1.00 0.00 O ATOM 237 CB TRP A 18 6.771 -1.717 4.910 1.00 0.00 C ATOM 238 CG TRP A 18 6.752 -0.849 3.689 1.00 0.00 C ATOM 239 CD1 TRP A 18 7.783 -0.098 3.201 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.647 -0.641 2.802 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.385 0.564 2.064 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.080 0.247 1.798 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.335 -1.119 2.758 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.246 0.665 0.765 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.508 -0.703 1.731 1.00 0.00 C ATOM 246 CH2 TRP A 18 3.966 0.181 0.746 1.00 0.00 C ATOM 0 H TRP A 18 6.627 0.548 5.888 1.00 0.00 H new ATOM 0 HA TRP A 18 4.720 -1.524 5.520 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.755 -1.657 5.375 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.623 -2.755 4.612 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.766 -0.034 3.643 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.968 1.190 1.508 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.973 -1.801 3.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.597 1.347 0.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.492 -1.066 1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.296 0.487 -0.044 1.00 0.00 H new ATOM 257 N TYR A 19 6.853 -1.846 8.016 1.00 0.00 N ATOM 258 CA TYR A 19 7.113 -2.583 9.247 1.00 0.00 C ATOM 259 C TYR A 19 5.868 -2.631 10.127 1.00 0.00 C ATOM 260 O TYR A 19 5.790 -3.418 11.070 1.00 0.00 O ATOM 261 CB TYR A 19 8.270 -1.942 10.015 1.00 0.00 C ATOM 262 CG TYR A 19 9.630 -2.253 9.433 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.018 -3.563 9.182 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.528 -1.236 9.132 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.260 -3.852 8.650 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.771 -1.514 8.598 1.00 0.00 C ATOM 267 CZ TYR A 19 12.133 -2.824 8.360 1.00 0.00 C ATOM 268 OH TYR A 19 13.370 -3.107 7.828 1.00 0.00 O ATOM 0 H TYR A 19 7.485 -1.062 7.852 1.00 0.00 H new ATOM 0 HA TYR A 19 7.385 -3.604 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.130 -0.861 10.031 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.241 -2.283 11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.337 -4.370 9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.249 -0.210 9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.546 -4.877 8.462 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.455 -0.711 8.368 1.00 0.00 H new ATOM 0 HH TYR A 19 14.037 -2.499 8.210 1.00 0.00 H new ATOM 278 N SER A 20 4.896 -1.781 9.811 1.00 0.00 N ATOM 279 CA SER A 20 3.654 -1.723 10.574 1.00 0.00 C ATOM 280 C SER A 20 2.553 -2.522 9.882 1.00 0.00 C ATOM 281 O SER A 20 1.756 -3.194 10.536 1.00 0.00 O ATOM 282 CB SER A 20 3.209 -0.270 10.754 1.00 0.00 C ATOM 283 OG SER A 20 2.445 -0.114 11.936 1.00 0.00 O ATOM 0 H SER A 20 4.944 -1.124 9.033 1.00 0.00 H new ATOM 0 HA SER A 20 3.837 -2.164 11.554 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.084 0.379 10.794 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.619 0.043 9.892 1.00 0.00 H new ATOM 0 HG SER A 20 2.174 0.823 12.029 1.00 0.00 H new ATOM 289 N ILE A 21 2.517 -2.442 8.557 1.00 0.00 N ATOM 290 CA ILE A 21 1.516 -3.158 7.776 1.00 0.00 C ATOM 291 C ILE A 21 1.644 -4.665 7.967 1.00 0.00 C ATOM 292 O ILE A 21 0.644 -5.376 8.072 1.00 0.00 O ATOM 293 CB ILE A 21 1.633 -2.831 6.275 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.429 -1.332 6.041 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.621 -3.639 5.477 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.937 -0.857 4.698 1.00 0.00 C ATOM 0 H ILE A 21 3.169 -1.889 8.001 1.00 0.00 H new ATOM 0 HA ILE A 21 0.541 -2.830 8.137 1.00 0.00 H new ATOM 0 HB ILE A 21 2.633 -3.101 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.367 -1.101 6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.937 -0.777 6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.716 -3.397 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.807 -4.703 5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.386 -3.397 5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.760 0.214 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.006 -1.057 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.412 -1.386 3.903 1.00 0.00 H new ATOM 308 N LEU A 22 2.882 -5.147 8.013 1.00 0.00 N ATOM 309 CA LEU A 22 3.142 -6.571 8.194 1.00 0.00 C ATOM 310 C LEU A 22 3.237 -6.923 9.675 1.00 0.00 C ATOM 311 O LEU A 22 3.520 -8.065 10.035 1.00 0.00 O ATOM 312 CB LEU A 22 4.435 -6.968 7.480 1.00 0.00 C ATOM 313 CG LEU A 22 4.554 -6.537 6.018 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.984 -6.703 5.527 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.593 -7.333 5.147 1.00 0.00 C ATOM 0 H LEU A 22 3.721 -4.573 7.927 1.00 0.00 H new ATOM 0 HA LEU A 22 2.310 -7.125 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.275 -6.546 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.534 -8.052 7.527 1.00 0.00 H new ATOM 0 HG LEU A 22 4.288 -5.482 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.049 -6.391 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.650 -6.088 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.279 -7.749 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.692 -7.013 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.828 -8.395 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.570 -7.162 5.484 1.00 0.00 H new ATOM 327 N GLY A 23 2.995 -5.934 10.530 1.00 0.00 N ATOM 328 CA GLY A 23 3.055 -6.160 11.962 1.00 0.00 C ATOM 329 C GLY A 23 4.404 -6.688 12.409 1.00 0.00 C ATOM 330 O GLY A 23 4.480 -7.585 13.248 1.00 0.00 O ATOM 0 H GLY A 23 2.758 -4.980 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.843 -5.227 12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.278 -6.869 12.248 1.00 0.00 H new ATOM 334 N ALA A 24 5.472 -6.132 11.846 1.00 0.00 N ATOM 335 CA ALA A 24 6.824 -6.552 12.192 1.00 0.00 C ATOM 336 C ALA A 24 7.641 -5.383 12.731 1.00 0.00 C ATOM 337 O ALA A 24 7.130 -4.273 12.883 1.00 0.00 O ATOM 338 CB ALA A 24 7.512 -7.165 10.981 1.00 0.00 C ATOM 0 H ALA A 24 5.427 -5.389 11.148 1.00 0.00 H new ATOM 0 HA ALA A 24 6.754 -7.305 12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.521 -7.474 11.254 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.946 -8.032 10.641 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.563 -6.428 10.179 1.00 0.00 H new ATOM 344 N ASP A 25 8.912 -5.639 13.021 1.00 0.00 N ATOM 345 CA ASP A 25 9.800 -4.607 13.543 1.00 0.00 C ATOM 346 C ASP A 25 10.961 -4.353 12.586 1.00 0.00 C ATOM 347 O ASP A 25 11.326 -5.204 11.775 1.00 0.00 O ATOM 348 CB ASP A 25 10.336 -5.013 14.917 1.00 0.00 C ATOM 349 CG ASP A 25 10.550 -6.509 15.036 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.592 -7.218 15.412 1.00 0.00 O ATOM 351 OD2 ASP A 25 11.674 -6.972 14.753 1.00 0.00 O ATOM 0 H ASP A 25 9.350 -6.552 12.903 1.00 0.00 H new ATOM 0 HA ASP A 25 9.226 -3.686 13.642 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.279 -4.498 15.103 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.637 -4.686 15.687 1.00 0.00 H new ATOM 356 N PRO A 26 11.555 -3.154 12.681 1.00 0.00 N ATOM 357 CA PRO A 26 12.682 -2.760 11.831 1.00 0.00 C ATOM 358 C PRO A 26 13.957 -3.527 12.166 1.00 0.00 C ATOM 359 O PRO A 26 14.977 -3.378 11.494 1.00 0.00 O ATOM 360 CB PRO A 26 12.857 -1.272 12.141 1.00 0.00 C ATOM 361 CG PRO A 26 12.299 -1.102 13.512 1.00 0.00 C ATOM 362 CD PRO A 26 11.172 -2.092 13.625 1.00 0.00 C ATOM 0 HA PRO A 26 12.492 -2.971 10.779 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.907 -0.980 12.102 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.327 -0.652 11.418 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.060 -1.289 14.269 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.941 -0.084 13.664 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.073 -2.474 14.641 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.215 -1.644 13.359 1.00 0.00 H new ATOM 370 N SER A 27 13.891 -4.349 13.208 1.00 0.00 N ATOM 371 CA SER A 27 15.041 -5.138 13.634 1.00 0.00 C ATOM 372 C SER A 27 14.881 -6.598 13.223 1.00 0.00 C ATOM 373 O SER A 27 15.806 -7.398 13.360 1.00 0.00 O ATOM 374 CB SER A 27 15.220 -5.039 15.150 1.00 0.00 C ATOM 375 OG SER A 27 15.448 -3.699 15.551 1.00 0.00 O ATOM 0 H SER A 27 13.053 -4.486 13.773 1.00 0.00 H new ATOM 0 HA SER A 27 15.928 -4.737 13.144 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.332 -5.425 15.650 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.058 -5.663 15.462 1.00 0.00 H new ATOM 0 HG SER A 27 15.557 -3.663 16.524 1.00 0.00 H new ATOM 381 N ALA A 28 13.699 -6.938 12.720 1.00 0.00 N ATOM 382 CA ALA A 28 13.417 -8.301 12.287 1.00 0.00 C ATOM 383 C ALA A 28 14.269 -8.682 11.081 1.00 0.00 C ATOM 384 O ALA A 28 15.020 -7.861 10.556 1.00 0.00 O ATOM 385 CB ALA A 28 11.938 -8.456 11.961 1.00 0.00 C ATOM 0 H ALA A 28 12.921 -6.288 12.602 1.00 0.00 H new ATOM 0 HA ALA A 28 13.670 -8.975 13.105 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.742 -9.479 11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.345 -8.235 12.848 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.667 -7.766 11.162 1.00 0.00 H new ATOM 391 N ASN A 29 14.147 -9.932 10.647 1.00 0.00 N ATOM 392 CA ASN A 29 14.908 -10.421 9.503 1.00 0.00 C ATOM 393 C ASN A 29 13.980 -11.016 8.447 1.00 0.00 C ATOM 394 O ASN A 29 12.857 -11.419 8.749 1.00 0.00 O ATOM 395 CB ASN A 29 15.926 -11.471 9.952 1.00 0.00 C ATOM 396 CG ASN A 29 17.213 -10.848 10.458 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.343 -9.625 10.517 1.00 0.00 O ATOM 398 ND2 ASN A 29 18.173 -11.689 10.825 1.00 0.00 N ATOM 0 H ASN A 29 13.529 -10.624 11.070 1.00 0.00 H new ATOM 0 HA ASN A 29 15.437 -9.576 9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.488 -12.084 10.739 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.151 -12.136 9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 29 19.062 -11.328 11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.022 -12.696 10.759 1.00 0.00 H new ATOM 405 N MET A 30 14.459 -11.069 7.209 1.00 0.00 N ATOM 406 CA MET A 30 13.674 -11.616 6.109 1.00 0.00 C ATOM 407 C MET A 30 12.871 -12.830 6.565 1.00 0.00 C ATOM 408 O MET A 30 11.648 -12.865 6.428 1.00 0.00 O ATOM 409 CB MET A 30 14.588 -12.003 4.944 1.00 0.00 C ATOM 410 CG MET A 30 15.487 -10.871 4.475 1.00 0.00 C ATOM 411 SD MET A 30 15.897 -10.990 2.723 1.00 0.00 S ATOM 412 CE MET A 30 14.610 -9.972 2.005 1.00 0.00 C ATOM 0 H MET A 30 15.387 -10.740 6.942 1.00 0.00 H new ATOM 0 HA MET A 30 12.978 -10.846 5.775 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.208 -12.848 5.244 1.00 0.00 H new ATOM 0 HB3 MET A 30 13.975 -12.339 4.108 1.00 0.00 H new ATOM 0 HG2 MET A 30 14.993 -9.918 4.665 1.00 0.00 H new ATOM 0 HG3 MET A 30 16.406 -10.876 5.060 1.00 0.00 H new ATOM 0 HE1 MET A 30 14.880 -9.712 0.982 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.669 -10.523 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.496 -9.061 2.593 1.00 0.00 H new ATOM 422 N SER A 31 13.567 -13.824 7.109 1.00 0.00 N ATOM 423 CA SER A 31 12.918 -15.041 7.582 1.00 0.00 C ATOM 424 C SER A 31 11.679 -14.711 8.408 1.00 0.00 C ATOM 425 O SER A 31 10.603 -15.265 8.183 1.00 0.00 O ATOM 426 CB SER A 31 13.894 -15.873 8.416 1.00 0.00 C ATOM 427 OG SER A 31 13.526 -17.242 8.418 1.00 0.00 O ATOM 0 H SER A 31 14.579 -13.810 7.233 1.00 0.00 H new ATOM 0 HA SER A 31 12.609 -15.620 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.902 -15.765 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.915 -15.497 9.439 1.00 0.00 H new ATOM 0 HG SER A 31 14.167 -17.752 8.956 1.00 0.00 H new ATOM 433 N ASP A 32 11.839 -13.805 9.366 1.00 0.00 N ATOM 434 CA ASP A 32 10.735 -13.398 10.227 1.00 0.00 C ATOM 435 C ASP A 32 9.644 -12.702 9.419 1.00 0.00 C ATOM 436 O ASP A 32 8.531 -13.214 9.288 1.00 0.00 O ATOM 437 CB ASP A 32 11.237 -12.470 11.334 1.00 0.00 C ATOM 438 CG ASP A 32 10.413 -12.583 12.602 1.00 0.00 C ATOM 439 OD1 ASP A 32 10.024 -13.714 12.959 1.00 0.00 O ATOM 440 OD2 ASP A 32 10.158 -11.538 13.237 1.00 0.00 O ATOM 0 H ASP A 32 12.723 -13.338 9.566 1.00 0.00 H new ATOM 0 HA ASP A 32 10.312 -14.294 10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.277 -12.706 11.558 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.213 -11.440 10.979 1.00 0.00 H new ATOM 445 N LEU A 33 9.969 -11.533 8.880 1.00 0.00 N ATOM 446 CA LEU A 33 9.017 -10.765 8.085 1.00 0.00 C ATOM 447 C LEU A 33 8.224 -11.677 7.155 1.00 0.00 C ATOM 448 O LEU A 33 7.008 -11.816 7.291 1.00 0.00 O ATOM 449 CB LEU A 33 9.747 -9.696 7.270 1.00 0.00 C ATOM 450 CG LEU A 33 10.613 -8.719 8.067 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.666 -8.086 7.171 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.748 -7.648 8.716 1.00 0.00 C ATOM 0 H LEU A 33 10.885 -11.095 8.979 1.00 0.00 H new ATOM 0 HA LEU A 33 8.320 -10.279 8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.380 -10.196 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.006 -9.123 6.714 1.00 0.00 H new ATOM 0 HG LEU A 33 11.122 -9.274 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.273 -7.394 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.304 -8.865 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.177 -7.545 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.380 -6.961 9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.211 -7.097 7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.032 -8.118 9.390 1.00 0.00 H new ATOM 464 N LYS A 34 8.921 -12.299 6.210 1.00 0.00 N ATOM 465 CA LYS A 34 8.284 -13.201 5.258 1.00 0.00 C ATOM 466 C LYS A 34 7.150 -13.978 5.919 1.00 0.00 C ATOM 467 O LYS A 34 6.034 -14.023 5.402 1.00 0.00 O ATOM 468 CB LYS A 34 9.314 -14.175 4.680 1.00 0.00 C ATOM 469 CG LYS A 34 8.914 -14.754 3.333 1.00 0.00 C ATOM 470 CD LYS A 34 10.107 -15.356 2.609 1.00 0.00 C ATOM 471 CE LYS A 34 9.676 -16.431 1.624 1.00 0.00 C ATOM 472 NZ LYS A 34 10.726 -16.700 0.602 1.00 0.00 N ATOM 0 H LYS A 34 9.928 -12.195 6.083 1.00 0.00 H new ATOM 0 HA LYS A 34 7.866 -12.600 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.270 -13.661 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.466 -14.991 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.151 -15.519 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.470 -13.972 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.647 -14.571 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.798 -15.783 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.452 -17.350 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.757 -16.121 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.394 -17.439 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.922 -15.829 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.596 -17.020 1.074 1.00 0.00 H new ATOM 486 N GLN A 35 7.443 -14.585 7.064 1.00 0.00 N ATOM 487 CA GLN A 35 6.446 -15.358 7.796 1.00 0.00 C ATOM 488 C GLN A 35 5.243 -14.493 8.156 1.00 0.00 C ATOM 489 O GLN A 35 4.095 -14.912 8.005 1.00 0.00 O ATOM 490 CB GLN A 35 7.061 -15.951 9.065 1.00 0.00 C ATOM 491 CG GLN A 35 8.203 -16.916 8.793 1.00 0.00 C ATOM 492 CD GLN A 35 7.719 -18.307 8.431 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.669 -18.468 7.809 1.00 0.00 O ATOM 494 NE2 GLN A 35 8.484 -19.320 8.819 1.00 0.00 N ATOM 0 H GLN A 35 8.362 -14.557 7.505 1.00 0.00 H new ATOM 0 HA GLN A 35 6.107 -16.169 7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.424 -15.140 9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.284 -16.469 9.627 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.817 -16.526 7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.841 -16.976 9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.347 -19.140 9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.209 -20.278 8.603 1.00 0.00 H new ATOM 503 N LYS A 36 5.512 -13.282 8.633 1.00 0.00 N ATOM 504 CA LYS A 36 4.453 -12.356 9.014 1.00 0.00 C ATOM 505 C LYS A 36 3.639 -11.929 7.796 1.00 0.00 C ATOM 506 O LYS A 36 2.412 -11.847 7.855 1.00 0.00 O ATOM 507 CB LYS A 36 5.046 -11.125 9.702 1.00 0.00 C ATOM 508 CG LYS A 36 5.193 -11.279 11.205 1.00 0.00 C ATOM 509 CD LYS A 36 6.518 -11.926 11.573 1.00 0.00 C ATOM 510 CE LYS A 36 6.985 -11.494 12.954 1.00 0.00 C ATOM 511 NZ LYS A 36 6.093 -12.011 14.028 1.00 0.00 N ATOM 0 H LYS A 36 6.456 -12.919 8.765 1.00 0.00 H new ATOM 0 HA LYS A 36 3.790 -12.869 9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.024 -10.914 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.413 -10.263 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.120 -10.301 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.372 -11.883 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.414 -13.011 11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.272 -11.659 10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.001 -11.852 13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.018 -10.406 13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.445 -11.695 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.129 -11.649 13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.081 -13.051 13.999 1.00 0.00 H new ATOM 525 N TYR A 37 4.330 -11.658 6.694 1.00 0.00 N ATOM 526 CA TYR A 37 3.672 -11.238 5.463 1.00 0.00 C ATOM 527 C TYR A 37 2.721 -12.319 4.958 1.00 0.00 C ATOM 528 O TYR A 37 1.539 -12.062 4.728 1.00 0.00 O ATOM 529 CB TYR A 37 4.712 -10.916 4.388 1.00 0.00 C ATOM 530 CG TYR A 37 4.153 -10.925 2.983 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.624 -9.772 2.417 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.153 -12.088 2.222 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.112 -9.776 1.134 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.645 -12.101 0.938 1.00 0.00 C ATOM 535 CZ TYR A 37 3.125 -10.942 0.398 1.00 0.00 C ATOM 536 OH TYR A 37 2.616 -10.951 -0.880 1.00 0.00 O ATOM 0 H TYR A 37 5.346 -11.722 6.628 1.00 0.00 H new ATOM 0 HA TYR A 37 3.092 -10.341 5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.142 -9.936 4.593 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.524 -11.640 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.613 -8.857 2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.557 -12.997 2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.704 -8.871 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.655 -13.013 0.360 1.00 0.00 H new ATOM 0 HH TYR A 37 2.702 -11.850 -1.260 1.00 0.00 H new ATOM 546 N GLN A 38 3.246 -13.528 4.789 1.00 0.00 N ATOM 547 CA GLN A 38 2.444 -14.649 4.312 1.00 0.00 C ATOM 548 C GLN A 38 1.176 -14.806 5.146 1.00 0.00 C ATOM 549 O GLN A 38 0.065 -14.781 4.616 1.00 0.00 O ATOM 550 CB GLN A 38 3.260 -15.942 4.355 1.00 0.00 C ATOM 551 CG GLN A 38 4.313 -16.033 3.262 1.00 0.00 C ATOM 552 CD GLN A 38 4.622 -17.464 2.867 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.301 -18.404 3.595 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.249 -17.636 1.709 1.00 0.00 N ATOM 0 H GLN A 38 4.222 -13.757 4.975 1.00 0.00 H new ATOM 0 HA GLN A 38 2.156 -14.444 3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.748 -16.022 5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.583 -16.792 4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.969 -15.484 2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.228 -15.549 3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.496 -16.828 1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.484 -18.576 1.391 1.00 0.00 H new ATOM 563 N LYS A 39 1.351 -14.968 6.453 1.00 0.00 N ATOM 564 CA LYS A 39 0.221 -15.128 7.362 1.00 0.00 C ATOM 565 C LYS A 39 -0.731 -13.941 7.260 1.00 0.00 C ATOM 566 O LYS A 39 -1.885 -14.020 7.684 1.00 0.00 O ATOM 567 CB LYS A 39 0.717 -15.276 8.802 1.00 0.00 C ATOM 568 CG LYS A 39 1.127 -13.961 9.442 1.00 0.00 C ATOM 569 CD LYS A 39 1.228 -14.084 10.953 1.00 0.00 C ATOM 570 CE LYS A 39 -0.108 -13.808 11.626 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.325 -12.352 11.853 1.00 0.00 N ATOM 0 H LYS A 39 2.264 -14.992 6.907 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.320 -16.030 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.069 -15.733 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.567 -15.958 8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.087 -13.642 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.401 -13.189 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.569 -15.086 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.976 -13.385 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.914 -14.203 11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.150 -14.334 12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.342 -12.167 11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.183 -12.055 12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.032 -11.816 11.036 1.00 0.00 H new ATOM 585 N LEU A 40 -0.243 -12.843 6.693 1.00 0.00 N ATOM 586 CA LEU A 40 -1.052 -11.640 6.534 1.00 0.00 C ATOM 587 C LEU A 40 -1.513 -11.481 5.089 1.00 0.00 C ATOM 588 O LEU A 40 -1.846 -10.379 4.651 1.00 0.00 O ATOM 589 CB LEU A 40 -0.258 -10.406 6.967 1.00 0.00 C ATOM 590 CG LEU A 40 0.018 -10.278 8.466 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.886 -9.062 8.746 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.287 -10.196 9.244 1.00 0.00 C ATOM 0 H LEU A 40 0.709 -12.761 6.336 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.933 -11.738 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.697 -10.410 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.798 -9.518 6.640 1.00 0.00 H new ATOM 0 HG LEU A 40 0.557 -11.167 8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.072 -8.987 9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.835 -9.163 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.374 -8.163 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.071 -10.105 10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.854 -9.326 8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.873 -11.098 9.068 1.00 0.00 H new ATOM 604 N ILE A 41 -1.530 -12.587 4.353 1.00 0.00 N ATOM 605 CA ILE A 41 -1.953 -12.570 2.958 1.00 0.00 C ATOM 606 C ILE A 41 -3.253 -13.344 2.769 1.00 0.00 C ATOM 607 O ILE A 41 -4.106 -12.960 1.968 1.00 0.00 O ATOM 608 CB ILE A 41 -0.874 -13.168 2.036 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.273 -12.173 1.846 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.478 -13.551 0.693 1.00 0.00 C ATOM 611 CD1 ILE A 41 -0.059 -11.042 0.898 1.00 0.00 C ATOM 0 H ILE A 41 -1.256 -13.506 4.699 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.112 -11.526 2.688 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.476 -14.069 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.545 -11.756 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.147 -12.706 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.703 -13.972 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.264 -14.290 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.900 -12.665 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.799 -10.376 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.303 -11.449 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.913 -10.485 1.282 1.00 0.00 H new ATOM 623 N LEU A 42 -3.399 -14.436 3.512 1.00 0.00 N ATOM 624 CA LEU A 42 -4.597 -15.264 3.427 1.00 0.00 C ATOM 625 C LEU A 42 -5.764 -14.609 4.160 1.00 0.00 C ATOM 626 O LEU A 42 -6.909 -14.676 3.710 1.00 0.00 O ATOM 627 CB LEU A 42 -4.325 -16.650 4.014 1.00 0.00 C ATOM 628 CG LEU A 42 -2.866 -17.108 4.007 1.00 0.00 C ATOM 629 CD1 LEU A 42 -2.760 -18.562 4.437 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.253 -16.912 2.627 1.00 0.00 C ATOM 0 H LEU A 42 -2.703 -14.768 4.180 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.864 -15.367 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.684 -16.663 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.916 -17.379 3.460 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.311 -16.499 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.714 -18.869 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.160 -18.673 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.329 -19.187 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.215 -17.243 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.811 -17.496 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.294 -15.857 2.357 1.00 0.00 H new ATOM 642 N LEU A 43 -5.467 -13.976 5.288 1.00 0.00 N ATOM 643 CA LEU A 43 -6.491 -13.306 6.083 1.00 0.00 C ATOM 644 C LEU A 43 -7.248 -12.282 5.243 1.00 0.00 C ATOM 645 O LEU A 43 -8.479 -12.242 5.255 1.00 0.00 O ATOM 646 CB LEU A 43 -5.858 -12.621 7.295 1.00 0.00 C ATOM 647 CG LEU A 43 -5.553 -13.522 8.492 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.516 -12.875 9.397 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.825 -13.826 9.268 1.00 0.00 C ATOM 0 H LEU A 43 -4.525 -13.912 5.674 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.198 -14.060 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.929 -12.148 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.524 -11.824 7.626 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.145 -14.462 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.312 -13.531 10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.596 -12.709 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.896 -11.920 9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.589 -14.468 10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.263 -12.895 9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.537 -14.333 8.616 1.00 0.00 H new ATOM 661 N TYR A 44 -6.505 -11.457 4.514 1.00 0.00 N ATOM 662 CA TYR A 44 -7.106 -10.432 3.668 1.00 0.00 C ATOM 663 C TYR A 44 -7.060 -10.843 2.200 1.00 0.00 C ATOM 664 O TYR A 44 -6.775 -10.026 1.323 1.00 0.00 O ATOM 665 CB TYR A 44 -6.385 -9.097 3.859 1.00 0.00 C ATOM 666 CG TYR A 44 -6.129 -8.748 5.308 1.00 0.00 C ATOM 667 CD1 TYR A 44 -5.026 -9.258 5.981 1.00 0.00 C ATOM 668 CD2 TYR A 44 -6.990 -7.908 6.003 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.789 -8.943 7.305 1.00 0.00 C ATOM 670 CE2 TYR A 44 -6.760 -7.586 7.327 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.659 -8.106 7.973 1.00 0.00 C ATOM 672 OH TYR A 44 -5.425 -7.789 9.292 1.00 0.00 O ATOM 0 H TYR A 44 -5.485 -11.478 4.492 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.149 -10.319 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.434 -9.129 3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.978 -8.305 3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.342 -9.912 5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.854 -7.500 5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.928 -9.350 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.439 -6.931 7.853 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.130 -7.189 9.614 1.00 0.00 H new ATOM 682 N HIS A 45 -7.343 -12.115 1.938 1.00 0.00 N ATOM 683 CA HIS A 45 -7.336 -12.635 0.576 1.00 0.00 C ATOM 684 C HIS A 45 -8.742 -12.627 -0.016 1.00 0.00 C ATOM 685 O HIS A 45 -9.726 -12.938 0.655 1.00 0.00 O ATOM 686 CB HIS A 45 -6.768 -14.055 0.552 1.00 0.00 C ATOM 687 CG HIS A 45 -6.147 -14.430 -0.758 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.873 -14.929 -1.819 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.861 -14.376 -1.175 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.059 -15.166 -2.833 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.832 -14.839 -2.468 1.00 0.00 N ATOM 0 H HIS A 45 -7.580 -12.804 2.651 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.702 -11.988 -0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.021 -14.152 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.566 -14.761 0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.015 -14.033 -0.599 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.348 -15.560 -3.796 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.999 -14.918 -3.051 1.00 0.00 H new ATOM 700 N PRO A 46 -8.841 -12.262 -1.303 1.00 0.00 N ATOM 701 CA PRO A 46 -10.121 -12.204 -2.014 1.00 0.00 C ATOM 702 C PRO A 46 -10.711 -13.589 -2.259 1.00 0.00 C ATOM 703 O PRO A 46 -11.876 -13.842 -1.949 1.00 0.00 O ATOM 704 CB PRO A 46 -9.761 -11.534 -3.342 1.00 0.00 C ATOM 705 CG PRO A 46 -8.316 -11.838 -3.539 1.00 0.00 C ATOM 706 CD PRO A 46 -7.709 -11.879 -2.164 1.00 0.00 C ATOM 0 HA PRO A 46 -10.880 -11.668 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.364 -11.928 -4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.938 -10.459 -3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.184 -12.791 -4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.837 -11.076 -4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.896 -12.603 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.296 -10.912 -1.878 1.00 0.00 H new ATOM 714 N ASP A 47 -9.901 -14.481 -2.817 1.00 0.00 N ATOM 715 CA ASP A 47 -10.342 -15.842 -3.103 1.00 0.00 C ATOM 716 C ASP A 47 -10.737 -16.566 -1.819 1.00 0.00 C ATOM 717 O ASP A 47 -11.588 -17.456 -1.832 1.00 0.00 O ATOM 718 CB ASP A 47 -9.239 -16.618 -3.823 1.00 0.00 C ATOM 719 CG ASP A 47 -9.701 -17.985 -4.287 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.897 -18.126 -4.619 1.00 0.00 O ATOM 721 OD2 ASP A 47 -8.868 -18.915 -4.319 1.00 0.00 O ATOM 0 H ASP A 47 -8.935 -14.287 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.217 -15.786 -3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.896 -16.043 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.385 -16.734 -3.155 1.00 0.00 H new ATOM 726 N LYS A 48 -10.112 -16.180 -0.712 1.00 0.00 N ATOM 727 CA LYS A 48 -10.396 -16.791 0.580 1.00 0.00 C ATOM 728 C LYS A 48 -11.454 -15.995 1.338 1.00 0.00 C ATOM 729 O LYS A 48 -11.286 -15.690 2.518 1.00 0.00 O ATOM 730 CB LYS A 48 -9.118 -16.885 1.416 1.00 0.00 C ATOM 731 CG LYS A 48 -7.932 -17.449 0.652 1.00 0.00 C ATOM 732 CD LYS A 48 -6.926 -18.101 1.586 1.00 0.00 C ATOM 733 CE LYS A 48 -5.581 -18.302 0.905 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.109 -17.059 0.233 1.00 0.00 N ATOM 0 H LYS A 48 -9.405 -15.446 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.780 -17.795 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.862 -15.892 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.309 -17.511 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.282 -18.181 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.446 -16.650 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.797 -17.481 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.312 -19.063 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.844 -18.618 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.662 -19.104 0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.071 -17.070 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.512 -17.008 -0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.414 -16.230 0.782 1.00 0.00 H new ATOM 748 N GLN A 49 -12.542 -15.662 0.651 1.00 0.00 N ATOM 749 CA GLN A 49 -13.627 -14.901 1.261 1.00 0.00 C ATOM 750 C GLN A 49 -14.895 -15.743 1.356 1.00 0.00 C ATOM 751 O GLN A 49 -14.896 -16.924 1.009 1.00 0.00 O ATOM 752 CB GLN A 49 -13.902 -13.631 0.455 1.00 0.00 C ATOM 753 CG GLN A 49 -12.759 -12.629 0.489 1.00 0.00 C ATOM 754 CD GLN A 49 -12.515 -12.068 1.876 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.272 -11.227 2.360 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.453 -12.533 2.524 1.00 0.00 N ATOM 0 H GLN A 49 -12.696 -15.907 -0.327 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.321 -14.623 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.104 -13.905 -0.581 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.803 -13.154 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.849 -13.110 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.978 -11.810 -0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.852 -13.230 2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.238 -12.193 3.461 1.00 0.00 H new ATOM 765 N SER A 50 -15.974 -15.127 1.827 1.00 0.00 N ATOM 766 CA SER A 50 -17.249 -15.820 1.972 1.00 0.00 C ATOM 767 C SER A 50 -18.392 -14.825 2.142 1.00 0.00 C ATOM 768 O SER A 50 -18.249 -13.807 2.818 1.00 0.00 O ATOM 769 CB SER A 50 -17.203 -16.771 3.169 1.00 0.00 C ATOM 770 OG SER A 50 -16.709 -18.044 2.791 1.00 0.00 O ATOM 0 H SER A 50 -15.991 -14.149 2.115 1.00 0.00 H new ATOM 0 HA SER A 50 -17.426 -16.398 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.569 -16.349 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.202 -16.876 3.592 1.00 0.00 H new ATOM 0 HG SER A 50 -16.016 -17.936 2.107 1.00 0.00 H new ATOM 776 N ALA A 51 -19.529 -15.128 1.523 1.00 0.00 N ATOM 777 CA ALA A 51 -20.698 -14.262 1.606 1.00 0.00 C ATOM 778 C ALA A 51 -20.914 -13.766 3.032 1.00 0.00 C ATOM 779 O ALA A 51 -21.474 -12.691 3.248 1.00 0.00 O ATOM 780 CB ALA A 51 -21.935 -14.995 1.108 1.00 0.00 C ATOM 0 H ALA A 51 -19.665 -15.967 0.959 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.522 -13.395 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.800 -14.336 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.787 -15.294 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -22.104 -15.881 1.721 1.00 0.00 H new ATOM 786 N ASP A 52 -20.467 -14.556 4.002 1.00 0.00 N ATOM 787 CA ASP A 52 -20.610 -14.197 5.408 1.00 0.00 C ATOM 788 C ASP A 52 -20.184 -12.752 5.646 1.00 0.00 C ATOM 789 O ASP A 52 -20.918 -11.968 6.248 1.00 0.00 O ATOM 790 CB ASP A 52 -19.781 -15.138 6.284 1.00 0.00 C ATOM 791 CG ASP A 52 -20.557 -16.369 6.707 1.00 0.00 C ATOM 792 OD1 ASP A 52 -21.574 -16.215 7.415 1.00 0.00 O ATOM 793 OD2 ASP A 52 -20.148 -17.487 6.330 1.00 0.00 O ATOM 0 H ASP A 52 -20.002 -15.450 3.840 1.00 0.00 H new ATOM 0 HA ASP A 52 -21.662 -14.295 5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.888 -15.444 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.445 -14.602 7.171 1.00 0.00 H new ATOM 798 N VAL A 53 -18.992 -12.406 5.170 1.00 0.00 N ATOM 799 CA VAL A 53 -18.467 -11.055 5.331 1.00 0.00 C ATOM 800 C VAL A 53 -19.317 -10.042 4.572 1.00 0.00 C ATOM 801 O VAL A 53 -19.715 -10.261 3.428 1.00 0.00 O ATOM 802 CB VAL A 53 -17.010 -10.957 4.842 1.00 0.00 C ATOM 803 CG1 VAL A 53 -16.149 -12.015 5.513 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.948 -11.088 3.327 1.00 0.00 C ATOM 0 H VAL A 53 -18.372 -13.043 4.670 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.500 -10.827 6.396 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.617 -9.978 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.123 -11.930 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.170 -11.870 6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.536 -13.005 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.911 -11.017 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.358 -12.053 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.530 -10.289 2.869 1.00 0.00 H new ATOM 814 N PRO A 54 -19.601 -8.903 5.221 1.00 0.00 N ATOM 815 CA PRO A 54 -20.405 -7.831 4.626 1.00 0.00 C ATOM 816 C PRO A 54 -19.673 -7.118 3.494 1.00 0.00 C ATOM 817 O PRO A 54 -18.504 -7.395 3.227 1.00 0.00 O ATOM 818 CB PRO A 54 -20.642 -6.874 5.796 1.00 0.00 C ATOM 819 CG PRO A 54 -19.499 -7.115 6.721 1.00 0.00 C ATOM 820 CD PRO A 54 -19.158 -8.574 6.587 1.00 0.00 C ATOM 0 HA PRO A 54 -21.322 -8.211 4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.668 -5.837 5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.596 -7.075 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.646 -6.489 6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.770 -6.870 7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.090 -8.751 6.717 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.674 -9.178 7.333 1.00 0.00 H new ATOM 828 N ALA A 55 -20.369 -6.199 2.833 1.00 0.00 N ATOM 829 CA ALA A 55 -19.784 -5.444 1.731 1.00 0.00 C ATOM 830 C ALA A 55 -18.772 -4.424 2.241 1.00 0.00 C ATOM 831 O ALA A 55 -17.753 -4.171 1.599 1.00 0.00 O ATOM 832 CB ALA A 55 -20.875 -4.752 0.928 1.00 0.00 C ATOM 0 H ALA A 55 -21.338 -5.959 3.041 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.259 -6.144 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.424 -4.192 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.559 -5.499 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.425 -4.069 1.575 1.00 0.00 H new ATOM 838 N GLY A 56 -19.060 -3.840 3.401 1.00 0.00 N ATOM 839 CA GLY A 56 -18.165 -2.853 3.977 1.00 0.00 C ATOM 840 C GLY A 56 -16.802 -3.428 4.307 1.00 0.00 C ATOM 841 O GLY A 56 -15.778 -2.774 4.108 1.00 0.00 O ATOM 0 H GLY A 56 -19.897 -4.033 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.047 -2.024 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.613 -2.446 4.883 1.00 0.00 H new ATOM 845 N THR A 57 -16.788 -4.657 4.816 1.00 0.00 N ATOM 846 CA THR A 57 -15.542 -5.319 5.178 1.00 0.00 C ATOM 847 C THR A 57 -14.705 -5.630 3.942 1.00 0.00 C ATOM 848 O THR A 57 -13.504 -5.360 3.910 1.00 0.00 O ATOM 849 CB THR A 57 -15.804 -6.627 5.948 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.532 -6.351 7.150 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.496 -7.325 6.290 1.00 0.00 C ATOM 0 H THR A 57 -17.626 -5.213 4.986 1.00 0.00 H new ATOM 0 HA THR A 57 -14.994 -4.630 5.821 1.00 0.00 H new ATOM 0 HB THR A 57 -16.393 -7.286 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.696 -7.188 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.706 -8.246 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.958 -7.560 5.372 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.885 -6.669 6.910 1.00 0.00 H new ATOM 859 N MET A 58 -15.346 -6.197 2.926 1.00 0.00 N ATOM 860 CA MET A 58 -14.660 -6.542 1.686 1.00 0.00 C ATOM 861 C MET A 58 -13.861 -5.354 1.158 1.00 0.00 C ATOM 862 O MET A 58 -12.635 -5.408 1.076 1.00 0.00 O ATOM 863 CB MET A 58 -15.668 -7.003 0.632 1.00 0.00 C ATOM 864 CG MET A 58 -15.096 -7.051 -0.776 1.00 0.00 C ATOM 865 SD MET A 58 -15.883 -8.305 -1.804 1.00 0.00 S ATOM 866 CE MET A 58 -15.602 -9.775 -0.819 1.00 0.00 C ATOM 0 H MET A 58 -16.340 -6.428 2.936 1.00 0.00 H new ATOM 0 HA MET A 58 -13.968 -7.357 1.897 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.035 -7.994 0.900 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.527 -6.332 0.644 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.215 -6.075 -1.246 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.026 -7.250 -0.722 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.522 -10.642 -1.474 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.678 -9.662 -0.252 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.435 -9.916 -0.130 1.00 0.00 H new ATOM 876 N GLU A 59 -14.565 -4.285 0.803 1.00 0.00 N ATOM 877 CA GLU A 59 -13.920 -3.085 0.282 1.00 0.00 C ATOM 878 C GLU A 59 -12.626 -2.792 1.035 1.00 0.00 C ATOM 879 O GLU A 59 -11.560 -2.670 0.433 1.00 0.00 O ATOM 880 CB GLU A 59 -14.865 -1.886 0.384 1.00 0.00 C ATOM 881 CG GLU A 59 -14.244 -0.580 -0.085 1.00 0.00 C ATOM 882 CD GLU A 59 -14.907 0.636 0.533 1.00 0.00 C ATOM 883 OE1 GLU A 59 -14.627 0.928 1.714 1.00 0.00 O ATOM 884 OE2 GLU A 59 -15.707 1.294 -0.164 1.00 0.00 O ATOM 0 H GLU A 59 -15.581 -4.225 0.866 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.678 -3.260 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.758 -2.087 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.187 -1.774 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.183 -0.577 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.317 -0.517 -1.171 1.00 0.00 H new ATOM 891 N GLU A 60 -12.729 -2.681 2.356 1.00 0.00 N ATOM 892 CA GLU A 60 -11.567 -2.402 3.191 1.00 0.00 C ATOM 893 C GLU A 60 -10.501 -3.479 3.018 1.00 0.00 C ATOM 894 O GLU A 60 -9.312 -3.178 2.908 1.00 0.00 O ATOM 895 CB GLU A 60 -11.979 -2.308 4.662 1.00 0.00 C ATOM 896 CG GLU A 60 -13.086 -1.299 4.921 1.00 0.00 C ATOM 897 CD GLU A 60 -12.642 0.130 4.673 1.00 0.00 C ATOM 898 OE1 GLU A 60 -12.782 0.605 3.527 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.154 0.772 5.627 1.00 0.00 O ATOM 0 H GLU A 60 -13.604 -2.780 2.870 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.147 -1.446 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.307 -3.290 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.107 -2.039 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.938 -1.527 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.427 -1.396 5.952 1.00 0.00 H new ATOM 906 N CYS A 61 -10.935 -4.734 2.996 1.00 0.00 N ATOM 907 CA CYS A 61 -10.018 -5.858 2.838 1.00 0.00 C ATOM 908 C CYS A 61 -9.051 -5.612 1.684 1.00 0.00 C ATOM 909 O CYS A 61 -7.879 -5.980 1.754 1.00 0.00 O ATOM 910 CB CYS A 61 -10.799 -7.151 2.599 1.00 0.00 C ATOM 911 SG CYS A 61 -9.964 -8.639 3.197 1.00 0.00 S ATOM 0 H CYS A 61 -11.916 -4.999 3.086 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.441 -5.956 3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.770 -7.072 3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.987 -7.257 1.531 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.703 -9.680 2.951 1.00 0.00 H new ATOM 917 N MET A 62 -9.552 -4.991 0.621 1.00 0.00 N ATOM 918 CA MET A 62 -8.733 -4.697 -0.548 1.00 0.00 C ATOM 919 C MET A 62 -7.560 -3.795 -0.178 1.00 0.00 C ATOM 920 O MET A 62 -6.403 -4.136 -0.420 1.00 0.00 O ATOM 921 CB MET A 62 -9.579 -4.033 -1.636 1.00 0.00 C ATOM 922 CG MET A 62 -9.051 -4.264 -3.043 1.00 0.00 C ATOM 923 SD MET A 62 -9.041 -6.007 -3.503 1.00 0.00 S ATOM 924 CE MET A 62 -7.544 -6.090 -4.483 1.00 0.00 C ATOM 0 H MET A 62 -10.521 -4.682 0.546 1.00 0.00 H new ATOM 0 HA MET A 62 -8.338 -5.638 -0.929 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.599 -4.412 -1.573 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.625 -2.961 -1.445 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.664 -3.708 -3.753 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.039 -3.867 -3.117 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.399 -7.109 -4.841 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.629 -5.415 -5.335 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.691 -5.796 -3.871 1.00 0.00 H new ATOM 934 N GLN A 63 -7.868 -2.643 0.409 1.00 0.00 N ATOM 935 CA GLN A 63 -6.838 -1.692 0.811 1.00 0.00 C ATOM 936 C GLN A 63 -5.698 -2.399 1.538 1.00 0.00 C ATOM 937 O GLN A 63 -4.528 -2.222 1.200 1.00 0.00 O ATOM 938 CB GLN A 63 -7.437 -0.609 1.710 1.00 0.00 C ATOM 939 CG GLN A 63 -8.097 0.524 0.940 1.00 0.00 C ATOM 940 CD GLN A 63 -9.239 0.048 0.065 1.00 0.00 C ATOM 941 OE1 GLN A 63 -8.909 -0.457 -1.117 1.00 0.00 O flip ATOM 942 NE2 GLN A 63 -10.407 0.132 0.448 1.00 0.00 N flip ATOM 0 H GLN A 63 -8.821 -2.346 0.617 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.437 -1.227 -0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.173 -1.064 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.651 -0.198 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.470 1.268 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.351 1.019 0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.616 0.527 1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.165 -0.194 -0.152 1.00 0.00 H new ATOM 951 N LYS A 64 -6.048 -3.200 2.538 1.00 0.00 N ATOM 952 CA LYS A 64 -5.055 -3.935 3.313 1.00 0.00 C ATOM 953 C LYS A 64 -4.206 -4.821 2.408 1.00 0.00 C ATOM 954 O LYS A 64 -3.005 -4.598 2.253 1.00 0.00 O ATOM 955 CB LYS A 64 -5.742 -4.789 4.381 1.00 0.00 C ATOM 956 CG LYS A 64 -6.628 -3.990 5.321 1.00 0.00 C ATOM 957 CD LYS A 64 -5.855 -3.497 6.532 1.00 0.00 C ATOM 958 CE LYS A 64 -5.642 -4.608 7.548 1.00 0.00 C ATOM 959 NZ LYS A 64 -4.465 -4.344 8.421 1.00 0.00 N ATOM 0 H LYS A 64 -7.012 -3.357 2.831 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.402 -3.211 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.344 -5.554 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.981 -5.307 4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.052 -3.139 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.463 -4.609 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.890 -3.104 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.395 -2.674 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.535 -4.712 8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.502 -5.555 7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.354 -5.124 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.608 -4.270 7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.609 -3.453 8.938 1.00 0.00 H new ATOM 973 N PHE A 65 -4.837 -5.826 1.810 1.00 0.00 N ATOM 974 CA PHE A 65 -4.139 -6.746 0.919 1.00 0.00 C ATOM 975 C PHE A 65 -3.134 -6.000 0.046 1.00 0.00 C ATOM 976 O PHE A 65 -1.952 -6.341 0.011 1.00 0.00 O ATOM 977 CB PHE A 65 -5.140 -7.495 0.038 1.00 0.00 C ATOM 978 CG PHE A 65 -4.501 -8.506 -0.871 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.044 -9.715 -0.371 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.355 -8.246 -2.224 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.455 -10.647 -1.205 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.768 -9.175 -3.062 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.316 -10.376 -2.552 1.00 0.00 C ATOM 0 H PHE A 65 -5.831 -6.024 1.926 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.597 -7.466 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.866 -7.999 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.692 -6.774 -0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.149 -9.931 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.704 -7.307 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.104 -11.586 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.663 -8.962 -4.115 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.855 -11.102 -3.205 1.00 0.00 H new ATOM 993 N ILE A 66 -3.615 -4.980 -0.659 1.00 0.00 N ATOM 994 CA ILE A 66 -2.760 -4.186 -1.532 1.00 0.00 C ATOM 995 C ILE A 66 -1.507 -3.720 -0.798 1.00 0.00 C ATOM 996 O ILE A 66 -0.394 -3.848 -1.308 1.00 0.00 O ATOM 997 CB ILE A 66 -3.506 -2.956 -2.082 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.532 -3.383 -3.133 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.519 -1.958 -2.672 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.492 -2.281 -3.524 1.00 0.00 C ATOM 0 H ILE A 66 -4.591 -4.685 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.473 -4.829 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.035 -2.472 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.006 -3.728 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.101 -4.230 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.061 -1.094 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.823 -1.634 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.966 -2.430 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.190 -2.655 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.045 -1.951 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.933 -1.441 -3.937 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.696 -3.181 0.402 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.580 -2.697 1.206 1.00 0.00 C ATOM 1014 C GLU A 67 0.377 -3.835 1.550 1.00 0.00 C ATOM 1015 O GLU A 67 1.596 -3.670 1.503 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.093 -2.042 2.490 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.377 -0.556 2.344 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.768 -0.278 1.809 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.979 -0.447 0.590 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.646 0.109 2.609 1.00 0.00 O ATOM 0 H GLU A 67 -2.611 -3.068 0.839 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.039 -1.955 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.005 -2.548 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.357 -2.187 3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.261 -0.071 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.639 -0.113 1.675 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.186 -4.988 1.896 1.00 0.00 N ATOM 1028 CA ILE A 68 0.616 -6.153 2.247 1.00 0.00 C ATOM 1029 C ILE A 68 1.522 -6.566 1.092 1.00 0.00 C ATOM 1030 O ILE A 68 2.733 -6.709 1.260 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.271 -7.349 2.641 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.199 -6.965 3.795 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.590 -8.544 3.022 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.448 -7.814 3.874 1.00 0.00 C ATOM 0 H ILE A 68 -1.194 -5.140 1.941 1.00 0.00 H new ATOM 0 HA ILE A 68 1.229 -5.868 3.102 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.884 -7.626 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.652 -7.050 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.487 -5.919 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.051 -9.381 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.213 -8.828 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.226 -8.280 3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.059 -7.486 4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.017 -7.711 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.170 -8.859 4.014 1.00 0.00 H new ATOM 1046 N ASP A 69 0.927 -6.754 -0.081 1.00 0.00 N ATOM 1047 CA ASP A 69 1.681 -7.147 -1.266 1.00 0.00 C ATOM 1048 C ASP A 69 2.733 -6.098 -1.614 1.00 0.00 C ATOM 1049 O ASP A 69 3.632 -6.350 -2.416 1.00 0.00 O ATOM 1050 CB ASP A 69 0.737 -7.353 -2.452 1.00 0.00 C ATOM 1051 CG ASP A 69 1.260 -8.379 -3.437 1.00 0.00 C ATOM 1052 OD1 ASP A 69 2.434 -8.263 -3.848 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.497 -9.299 -3.797 1.00 0.00 O ATOM 0 H ASP A 69 -0.075 -6.641 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 69 2.189 -8.086 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.239 -7.671 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.591 -6.403 -2.965 1.00 0.00 H new ATOM 1058 N GLN A 70 2.612 -4.922 -1.007 1.00 0.00 N ATOM 1059 CA GLN A 70 3.552 -3.835 -1.254 1.00 0.00 C ATOM 1060 C GLN A 70 4.674 -3.840 -0.222 1.00 0.00 C ATOM 1061 O GLN A 70 5.832 -3.579 -0.549 1.00 0.00 O ATOM 1062 CB GLN A 70 2.825 -2.489 -1.228 1.00 0.00 C ATOM 1063 CG GLN A 70 2.026 -2.204 -2.490 1.00 0.00 C ATOM 1064 CD GLN A 70 1.103 -1.011 -2.339 1.00 0.00 C ATOM 1065 OE1 GLN A 70 0.620 -0.720 -1.245 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.854 -0.313 -3.441 1.00 0.00 N ATOM 0 H GLN A 70 1.873 -4.698 -0.341 1.00 0.00 H new ATOM 0 HA GLN A 70 3.991 -3.985 -2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.154 -2.465 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.556 -1.693 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.713 -2.025 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.437 -3.084 -2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.276 -0.591 -4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.240 0.501 -3.401 1.00 0.00 H new ATOM 1075 N ALA A 71 4.324 -4.140 1.024 1.00 0.00 N ATOM 1076 CA ALA A 71 5.303 -4.181 2.104 1.00 0.00 C ATOM 1077 C ALA A 71 6.353 -5.257 1.852 1.00 0.00 C ATOM 1078 O ALA A 71 7.408 -5.268 2.486 1.00 0.00 O ATOM 1079 CB ALA A 71 4.609 -4.419 3.437 1.00 0.00 C ATOM 0 H ALA A 71 3.370 -4.358 1.311 1.00 0.00 H new ATOM 0 HA ALA A 71 5.810 -3.217 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.352 -4.447 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.902 -3.612 3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.075 -5.369 3.405 1.00 0.00 H new ATOM 1085 N TRP A 72 6.057 -6.160 0.924 1.00 0.00 N ATOM 1086 CA TRP A 72 6.977 -7.242 0.590 1.00 0.00 C ATOM 1087 C TRP A 72 7.809 -6.889 -0.638 1.00 0.00 C ATOM 1088 O TRP A 72 8.819 -7.533 -0.922 1.00 0.00 O ATOM 1089 CB TRP A 72 6.203 -8.538 0.342 1.00 0.00 C ATOM 1090 CG TRP A 72 7.084 -9.748 0.257 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.122 -10.664 -0.756 1.00 0.00 C ATOM 1092 CD2 TRP A 72 8.051 -10.174 1.222 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.055 -11.633 -0.478 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.639 -11.355 0.730 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.479 -9.671 2.454 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.630 -12.040 1.428 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.463 -10.352 3.146 1.00 0.00 C ATOM 1098 CH2 TRP A 72 10.030 -11.526 2.631 1.00 0.00 C ATOM 0 H TRP A 72 5.188 -6.165 0.390 1.00 0.00 H new ATOM 0 HA TRP A 72 7.652 -7.386 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.479 -8.680 1.144 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.637 -8.443 -0.585 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.509 -10.631 -1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.277 -12.430 -1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.049 -8.767 2.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.067 -12.945 1.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.801 -9.973 4.099 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.798 -12.035 3.195 1.00 0.00 H new ATOM 1109 N LYS A 73 7.378 -5.862 -1.364 1.00 0.00 N ATOM 1110 CA LYS A 73 8.084 -5.422 -2.561 1.00 0.00 C ATOM 1111 C LYS A 73 9.296 -4.571 -2.196 1.00 0.00 C ATOM 1112 O LYS A 73 10.162 -4.316 -3.034 1.00 0.00 O ATOM 1113 CB LYS A 73 7.144 -4.627 -3.469 1.00 0.00 C ATOM 1114 CG LYS A 73 6.174 -5.496 -4.251 1.00 0.00 C ATOM 1115 CD LYS A 73 5.187 -4.656 -5.044 1.00 0.00 C ATOM 1116 CE LYS A 73 5.814 -4.113 -6.318 1.00 0.00 C ATOM 1117 NZ LYS A 73 4.948 -3.093 -6.972 1.00 0.00 N ATOM 0 H LYS A 73 6.543 -5.319 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 73 8.431 -6.307 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.578 -3.921 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.739 -4.040 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.730 -6.143 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.631 -6.145 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.314 -5.259 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.836 -3.828 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.783 -3.671 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.995 -4.934 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.411 -2.748 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.032 -3.521 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.795 -2.297 -6.320 1.00 0.00 H new ATOM 1131 N ILE A 74 9.351 -4.135 -0.942 1.00 0.00 N ATOM 1132 CA ILE A 74 10.459 -3.315 -0.467 1.00 0.00 C ATOM 1133 C ILE A 74 11.249 -4.034 0.621 1.00 0.00 C ATOM 1134 O ILE A 74 12.480 -4.047 0.604 1.00 0.00 O ATOM 1135 CB ILE A 74 9.963 -1.964 0.082 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.416 -1.096 -1.053 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.088 -1.244 0.811 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.150 -1.643 -1.674 1.00 0.00 C ATOM 0 H ILE A 74 8.642 -4.336 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 74 11.108 -3.134 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 74 9.157 -2.151 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.221 -0.094 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.178 -1.000 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.722 -0.291 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.436 -1.859 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 74 11.913 -1.066 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.819 -0.977 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.345 -2.633 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.372 -1.713 -0.913 1.00 0.00 H new ATOM 1150 N LEU A 75 10.533 -4.635 1.565 1.00 0.00 N ATOM 1151 CA LEU A 75 11.166 -5.360 2.661 1.00 0.00 C ATOM 1152 C LEU A 75 11.488 -6.793 2.251 1.00 0.00 C ATOM 1153 O LEU A 75 12.280 -7.473 2.903 1.00 0.00 O ATOM 1154 CB LEU A 75 10.257 -5.360 3.891 1.00 0.00 C ATOM 1155 CG LEU A 75 10.079 -4.015 4.595 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.115 -4.147 5.763 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.423 -3.478 5.067 1.00 0.00 C ATOM 0 H LEU A 75 9.513 -4.635 1.593 1.00 0.00 H new ATOM 0 HA LEU A 75 12.099 -4.854 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.274 -5.723 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.655 -6.075 4.612 1.00 0.00 H new ATOM 0 HG LEU A 75 9.658 -3.306 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.001 -3.179 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.145 -4.486 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.507 -4.871 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.277 -2.520 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.873 -4.185 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.083 -3.344 4.210 1.00 0.00 H new ATOM 1169 N GLY A 76 10.869 -7.247 1.165 1.00 0.00 N ATOM 1170 CA GLY A 76 11.104 -8.596 0.686 1.00 0.00 C ATOM 1171 C GLY A 76 12.230 -8.664 -0.327 1.00 0.00 C ATOM 1172 O GLY A 76 12.250 -9.546 -1.184 1.00 0.00 O ATOM 0 H GLY A 76 10.209 -6.704 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.340 -9.242 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.190 -8.982 0.235 1.00 0.00 H new ATOM 1176 N ASN A 77 13.169 -7.728 -0.230 1.00 0.00 N ATOM 1177 CA ASN A 77 14.302 -7.684 -1.147 1.00 0.00 C ATOM 1178 C ASN A 77 15.588 -7.332 -0.406 1.00 0.00 C ATOM 1179 O ASN A 77 15.582 -7.137 0.809 1.00 0.00 O ATOM 1180 CB ASN A 77 14.045 -6.665 -2.259 1.00 0.00 C ATOM 1181 CG ASN A 77 13.330 -7.275 -3.449 1.00 0.00 C ATOM 1182 OD1 ASN A 77 12.473 -8.146 -3.293 1.00 0.00 O ATOM 1183 ND2 ASN A 77 13.679 -6.820 -4.646 1.00 0.00 N ATOM 0 H ASN A 77 13.167 -6.990 0.474 1.00 0.00 H new ATOM 0 HA ASN A 77 14.418 -8.673 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.449 -5.842 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.995 -6.242 -2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.232 -7.193 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.394 -6.097 -4.728 1.00 0.00 H new ATOM 1190 N GLU A 78 16.688 -7.251 -1.148 1.00 0.00 N ATOM 1191 CA GLU A 78 17.982 -6.922 -0.560 1.00 0.00 C ATOM 1192 C GLU A 78 18.345 -5.464 -0.826 1.00 0.00 C ATOM 1193 O GLU A 78 18.890 -4.782 0.041 1.00 0.00 O ATOM 1194 CB GLU A 78 19.070 -7.841 -1.121 1.00 0.00 C ATOM 1195 CG GLU A 78 20.375 -7.782 -0.346 1.00 0.00 C ATOM 1196 CD GLU A 78 21.565 -8.229 -1.172 1.00 0.00 C ATOM 1197 OE1 GLU A 78 21.509 -9.340 -1.740 1.00 0.00 O ATOM 1198 OE2 GLU A 78 22.553 -7.469 -1.251 1.00 0.00 O ATOM 0 H GLU A 78 16.709 -7.408 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 78 17.912 -7.070 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.703 -8.867 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.261 -7.572 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.541 -6.762 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.296 -8.412 0.540 1.00 0.00 H new ATOM 1205 N GLU A 79 18.040 -4.995 -2.032 1.00 0.00 N ATOM 1206 CA GLU A 79 18.337 -3.619 -2.413 1.00 0.00 C ATOM 1207 C GLU A 79 17.351 -2.651 -1.764 1.00 0.00 C ATOM 1208 O GLU A 79 17.715 -1.878 -0.877 1.00 0.00 O ATOM 1209 CB GLU A 79 18.291 -3.466 -3.934 1.00 0.00 C ATOM 1210 CG GLU A 79 18.896 -4.642 -4.682 1.00 0.00 C ATOM 1211 CD GLU A 79 20.355 -4.866 -4.335 1.00 0.00 C ATOM 1212 OE1 GLU A 79 20.626 -5.459 -3.270 1.00 0.00 O ATOM 1213 OE2 GLU A 79 21.225 -4.448 -5.127 1.00 0.00 O ATOM 0 H GLU A 79 17.588 -5.547 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 79 19.341 -3.380 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.254 -3.341 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.821 -2.556 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.329 -5.544 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.804 -4.472 -5.755 1.00 0.00 H new ATOM 1220 N THR A 80 16.101 -2.699 -2.213 1.00 0.00 N ATOM 1221 CA THR A 80 15.063 -1.826 -1.678 1.00 0.00 C ATOM 1222 C THR A 80 15.006 -1.907 -0.157 1.00 0.00 C ATOM 1223 O THR A 80 14.918 -0.887 0.526 1.00 0.00 O ATOM 1224 CB THR A 80 13.679 -2.183 -2.252 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.355 -3.543 -1.941 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.649 -1.982 -3.760 1.00 0.00 C ATOM 0 H THR A 80 15.783 -3.333 -2.946 1.00 0.00 H new ATOM 0 HA THR A 80 15.321 -0.809 -1.975 1.00 0.00 H new ATOM 0 HB THR A 80 12.941 -1.521 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.088 -3.609 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.661 -2.241 -4.142 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.866 -0.940 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.398 -2.622 -4.227 1.00 0.00 H new ATOM 1234 N LYS A 81 15.058 -3.126 0.368 1.00 0.00 N ATOM 1235 CA LYS A 81 15.014 -3.341 1.810 1.00 0.00 C ATOM 1236 C LYS A 81 16.158 -2.608 2.504 1.00 0.00 C ATOM 1237 O LYS A 81 16.030 -2.181 3.651 1.00 0.00 O ATOM 1238 CB LYS A 81 15.087 -4.837 2.126 1.00 0.00 C ATOM 1239 CG LYS A 81 14.946 -5.153 3.604 1.00 0.00 C ATOM 1240 CD LYS A 81 15.691 -6.425 3.975 1.00 0.00 C ATOM 1241 CE LYS A 81 15.147 -7.035 5.258 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.187 -7.815 5.985 1.00 0.00 N ATOM 0 H LYS A 81 15.131 -3.981 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 81 14.070 -2.943 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.302 -5.355 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.039 -5.229 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.330 -4.320 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.891 -5.262 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.607 -7.147 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.752 -6.205 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.768 -6.243 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.304 -7.685 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.769 -8.243 6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.555 -8.565 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.965 -7.183 6.262 1.00 0.00 H new ATOM 1256 N LYS A 82 17.276 -2.465 1.800 1.00 0.00 N ATOM 1257 CA LYS A 82 18.442 -1.781 2.347 1.00 0.00 C ATOM 1258 C LYS A 82 18.279 -0.268 2.253 1.00 0.00 C ATOM 1259 O LYS A 82 18.798 0.476 3.085 1.00 0.00 O ATOM 1260 CB LYS A 82 19.708 -2.216 1.605 1.00 0.00 C ATOM 1261 CG LYS A 82 20.938 -1.404 1.973 1.00 0.00 C ATOM 1262 CD LYS A 82 22.070 -1.628 0.985 1.00 0.00 C ATOM 1263 CE LYS A 82 22.977 -0.410 0.892 1.00 0.00 C ATOM 1264 NZ LYS A 82 22.278 0.759 0.291 1.00 0.00 N ATOM 0 H LYS A 82 17.399 -2.814 0.849 1.00 0.00 H new ATOM 0 HA LYS A 82 18.532 -2.054 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.900 -3.268 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.536 -2.134 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.681 -0.345 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.269 -1.677 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.655 -2.496 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.657 -1.852 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.334 -0.147 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.854 -0.656 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.643 0.927 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.257 0.566 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.445 1.602 0.877 1.00 0.00 H new ATOM 1278 N LYS A 83 17.554 0.183 1.234 1.00 0.00 N ATOM 1279 CA LYS A 83 17.319 1.607 1.032 1.00 0.00 C ATOM 1280 C LYS A 83 16.242 2.122 1.982 1.00 0.00 C ATOM 1281 O LYS A 83 16.463 3.076 2.728 1.00 0.00 O ATOM 1282 CB LYS A 83 16.908 1.877 -0.417 1.00 0.00 C ATOM 1283 CG LYS A 83 18.080 1.937 -1.381 1.00 0.00 C ATOM 1284 CD LYS A 83 17.613 1.956 -2.826 1.00 0.00 C ATOM 1285 CE LYS A 83 17.473 0.549 -3.386 1.00 0.00 C ATOM 1286 NZ LYS A 83 18.773 0.018 -3.884 1.00 0.00 N ATOM 0 H LYS A 83 17.119 -0.419 0.535 1.00 0.00 H new ATOM 0 HA LYS A 83 18.248 2.136 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.221 1.096 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 83 16.363 2.820 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.674 2.828 -1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.730 1.077 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.655 2.472 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.322 2.521 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.083 -0.113 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.747 0.552 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.623 -0.479 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.437 0.805 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.168 -0.644 -3.186 1.00 0.00 H new ATOM 1300 N TYR A 84 15.078 1.483 1.949 1.00 0.00 N ATOM 1301 CA TYR A 84 13.966 1.877 2.806 1.00 0.00 C ATOM 1302 C TYR A 84 14.403 1.953 4.266 1.00 0.00 C ATOM 1303 O TYR A 84 13.927 2.797 5.025 1.00 0.00 O ATOM 1304 CB TYR A 84 12.807 0.889 2.660 1.00 0.00 C ATOM 1305 CG TYR A 84 11.647 1.175 3.587 1.00 0.00 C ATOM 1306 CD1 TYR A 84 10.678 2.112 3.250 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.520 0.509 4.800 1.00 0.00 C ATOM 1308 CE1 TYR A 84 9.617 2.377 4.094 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.462 0.766 5.649 1.00 0.00 C ATOM 1310 CZ TYR A 84 9.513 1.701 5.292 1.00 0.00 C ATOM 1311 OH TYR A 84 8.458 1.962 6.136 1.00 0.00 O ATOM 0 H TYR A 84 14.880 0.690 1.338 1.00 0.00 H new ATOM 0 HA TYR A 84 13.633 2.867 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.451 0.909 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.174 -0.119 2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 84 10.756 2.642 2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.262 -0.223 5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 84 8.873 3.109 3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.378 0.238 6.587 1.00 0.00 H new ATOM 0 HH TYR A 84 7.674 2.223 5.609 1.00 0.00 H new ATOM 1321 N ASP A 85 15.314 1.065 4.650 1.00 0.00 N ATOM 1322 CA ASP A 85 15.819 1.031 6.018 1.00 0.00 C ATOM 1323 C ASP A 85 16.720 2.231 6.295 1.00 0.00 C ATOM 1324 O ASP A 85 16.546 2.935 7.290 1.00 0.00 O ATOM 1325 CB ASP A 85 16.586 -0.268 6.269 1.00 0.00 C ATOM 1326 CG ASP A 85 15.692 -1.378 6.786 1.00 0.00 C ATOM 1327 OD1 ASP A 85 15.120 -2.113 5.955 1.00 0.00 O ATOM 1328 OD2 ASP A 85 15.564 -1.511 8.021 1.00 0.00 O ATOM 0 H ASP A 85 15.718 0.360 4.034 1.00 0.00 H new ATOM 0 HA ASP A 85 14.966 1.076 6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.062 -0.590 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.383 -0.082 6.989 1.00 0.00 H new ATOM 1333 N LEU A 86 17.683 2.457 5.409 1.00 0.00 N ATOM 1334 CA LEU A 86 18.613 3.571 5.558 1.00 0.00 C ATOM 1335 C LEU A 86 17.876 4.906 5.510 1.00 0.00 C ATOM 1336 O LEU A 86 18.229 5.845 6.223 1.00 0.00 O ATOM 1337 CB LEU A 86 19.677 3.523 4.459 1.00 0.00 C ATOM 1338 CG LEU A 86 20.708 2.400 4.571 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.441 2.214 3.251 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.693 2.690 5.694 1.00 0.00 C ATOM 0 H LEU A 86 17.841 1.884 4.580 1.00 0.00 H new ATOM 0 HA LEU A 86 19.098 3.480 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.173 3.431 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.207 4.476 4.452 1.00 0.00 H new ATOM 0 HG LEU A 86 20.183 1.474 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.171 1.410 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.725 1.959 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.953 3.139 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.419 1.880 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.211 3.627 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.155 2.771 6.638 1.00 0.00 H new ATOM 1352 N GLN A 87 16.851 4.980 4.669 1.00 0.00 N ATOM 1353 CA GLN A 87 16.063 6.199 4.530 1.00 0.00 C ATOM 1354 C GLN A 87 15.270 6.482 5.802 1.00 0.00 C ATOM 1355 O GLN A 87 15.364 7.568 6.375 1.00 0.00 O ATOM 1356 CB GLN A 87 15.113 6.086 3.337 1.00 0.00 C ATOM 1357 CG GLN A 87 15.776 6.381 2.001 1.00 0.00 C ATOM 1358 CD GLN A 87 15.817 7.863 1.685 1.00 0.00 C ATOM 1359 OE1 GLN A 87 16.218 8.676 2.518 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.402 8.222 0.476 1.00 0.00 N ATOM 0 H GLN A 87 16.546 4.210 4.073 1.00 0.00 H new ATOM 0 HA GLN A 87 16.750 7.028 4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.694 5.080 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.280 6.775 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.792 5.987 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.238 5.859 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.078 7.514 -0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.407 9.206 0.206 1.00 0.00 H new ATOM 1369 N ARG A 88 14.489 5.499 6.237 1.00 0.00 N ATOM 1370 CA ARG A 88 13.679 5.643 7.440 1.00 0.00 C ATOM 1371 C ARG A 88 14.556 5.924 8.657 1.00 0.00 C ATOM 1372 O ARG A 88 15.639 5.357 8.798 1.00 0.00 O ATOM 1373 CB ARG A 88 12.850 4.379 7.677 1.00 0.00 C ATOM 1374 CG ARG A 88 13.678 3.179 8.106 1.00 0.00 C ATOM 1375 CD ARG A 88 12.796 2.018 8.536 1.00 0.00 C ATOM 1376 NE ARG A 88 12.405 2.118 9.940 1.00 0.00 N ATOM 1377 CZ ARG A 88 13.255 1.974 10.951 1.00 0.00 C ATOM 1378 NH1 ARG A 88 14.535 1.725 10.715 1.00 0.00 N ATOM 1379 NH2 ARG A 88 12.824 2.079 12.201 1.00 0.00 N ATOM 0 H ARG A 88 14.400 4.594 5.774 1.00 0.00 H new ATOM 0 HA ARG A 88 13.007 6.489 7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.100 4.584 8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.312 4.130 6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.319 2.865 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.333 3.464 8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.903 1.991 7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.327 1.080 8.373 1.00 0.00 H new ATOM 0 HE ARG A 88 11.427 2.309 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.870 1.643 9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.185 1.615 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.839 2.270 12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.477 1.968 12.977 1.00 0.00 H new