USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 465 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 65 CYS SG : rot 159:sc= -0.994! USER MOD Set 1.2: A 68 CYS SG : rot -36:sc= -0.19 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -9.92! C(o=-13!,f=-16!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -1.4 K(o=-13,f=-13) USER MOD Set 2.1: A 64 THR OG1 : rot 38:sc= 0.518 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.696 K(o=1.2,f=-0.027) USER MOD Set 3.1: A 37 CYS SG : rot 147:sc= 1.32 USER MOD Set 3.2: A 40 CYS SG : rot -70:sc= 0.391 USER MOD Set 3.3: A 54 HIS : no HD1:sc= -0.492 K(o=1.2,f=-0.54) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.281 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -145:sc= -0.369 (180deg=-1.66!) USER MOD Single : A 55 MET CE :methyl 179:sc= -2.16 (180deg=-2.24) USER MOD Single : A 66 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=-0.0008) USER MOD Single : A 67 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=-0.015) USER MOD Single : A 70 LYS NZ :NH3+ -121:sc= -0.461 (180deg=-2.56!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 170:sc= 0 (180deg=-0.0461) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -129:sc= -2.01 (180deg=-5.03!) USER MOD Single : A 85 ASN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.222 9.759 -0.428 1.00 0.00 N ATOM 263 CA SER A 20 -4.565 9.721 -1.845 1.00 0.00 C ATOM 264 C SER A 20 -3.955 8.496 -2.519 1.00 0.00 C ATOM 265 O SER A 20 -3.241 7.716 -1.888 1.00 0.00 O ATOM 266 CB SER A 20 -4.084 10.995 -2.542 1.00 0.00 C ATOM 267 OG SER A 20 -5.058 12.020 -2.462 1.00 0.00 O ATOM 0 HA SER A 20 -5.650 9.657 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.155 11.335 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.863 10.780 -3.588 1.00 0.00 H new ATOM 0 HG SER A 20 -4.725 12.824 -2.913 1.00 0.00 H new ATOM 273 N LEU A 21 -4.242 8.334 -3.806 1.00 0.00 N ATOM 274 CA LEU A 21 -3.722 7.204 -4.569 1.00 0.00 C ATOM 275 C LEU A 21 -2.210 7.315 -4.744 1.00 0.00 C ATOM 276 O LEU A 21 -1.486 6.330 -4.600 1.00 0.00 O ATOM 277 CB LEU A 21 -4.401 7.131 -5.937 1.00 0.00 C ATOM 278 CG LEU A 21 -5.765 6.440 -5.973 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.447 6.675 -7.312 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.615 4.950 -5.703 1.00 0.00 C ATOM 0 H LEU A 21 -4.831 8.970 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.939 6.292 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.520 8.146 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.734 6.610 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.390 6.870 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.416 6.176 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.589 7.745 -7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.826 6.273 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.595 4.474 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.973 4.505 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.169 4.802 -4.720 1.00 0.00 H new ATOM 292 N GLU A 22 -1.742 8.520 -5.054 1.00 0.00 N ATOM 293 CA GLU A 22 -0.317 8.758 -5.247 1.00 0.00 C ATOM 294 C GLU A 22 0.505 8.026 -4.190 1.00 0.00 C ATOM 295 O GLU A 22 1.384 7.228 -4.516 1.00 0.00 O ATOM 296 CB GLU A 22 -0.016 10.258 -5.195 1.00 0.00 C ATOM 297 CG GLU A 22 -0.751 11.063 -6.253 1.00 0.00 C ATOM 298 CD GLU A 22 -0.987 12.501 -5.832 1.00 0.00 C ATOM 299 OE1 GLU A 22 0.006 13.231 -5.629 1.00 0.00 O ATOM 300 OE2 GLU A 22 -2.165 12.896 -5.706 1.00 0.00 O ATOM 0 H GLU A 22 -2.328 9.345 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.040 8.373 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.283 10.640 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.057 10.409 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.176 11.049 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.709 10.588 -6.465 1.00 0.00 H new ATOM 307 N GLU A 23 0.213 8.305 -2.924 1.00 0.00 N ATOM 308 CA GLU A 23 0.927 7.674 -1.819 1.00 0.00 C ATOM 309 C GLU A 23 0.896 6.154 -1.950 1.00 0.00 C ATOM 310 O GLU A 23 1.936 5.497 -1.911 1.00 0.00 O ATOM 311 CB GLU A 23 0.315 8.095 -0.481 1.00 0.00 C ATOM 312 CG GLU A 23 1.206 7.803 0.714 1.00 0.00 C ATOM 313 CD GLU A 23 0.946 8.739 1.878 1.00 0.00 C ATOM 314 OE1 GLU A 23 1.488 9.864 1.868 1.00 0.00 O ATOM 315 OE2 GLU A 23 0.200 8.346 2.799 1.00 0.00 O ATOM 0 H GLU A 23 -0.512 8.963 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 23 1.965 8.003 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.099 9.163 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.637 7.580 -0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.048 6.774 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.250 7.885 0.413 1.00 0.00 H new ATOM 322 N GLN A 24 -0.303 5.603 -2.103 1.00 0.00 N ATOM 323 CA GLN A 24 -0.470 4.161 -2.238 1.00 0.00 C ATOM 324 C GLN A 24 0.509 3.593 -3.261 1.00 0.00 C ATOM 325 O GLN A 24 1.418 2.840 -2.913 1.00 0.00 O ATOM 326 CB GLN A 24 -1.905 3.828 -2.648 1.00 0.00 C ATOM 327 CG GLN A 24 -2.948 4.287 -1.641 1.00 0.00 C ATOM 328 CD GLN A 24 -4.186 3.413 -1.645 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.142 2.252 -1.238 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.301 3.968 -2.105 1.00 0.00 N ATOM 0 H GLN A 24 -1.174 6.133 -2.137 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.262 3.705 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.115 4.290 -3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.994 2.750 -2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.510 4.285 -0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.233 5.316 -1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.292 4.934 -2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.166 3.428 -2.131 1.00 0.00 H new ATOM 339 N TRP A 25 0.316 3.959 -4.523 1.00 0.00 N ATOM 340 CA TRP A 25 1.182 3.486 -5.597 1.00 0.00 C ATOM 341 C TRP A 25 2.650 3.601 -5.203 1.00 0.00 C ATOM 342 O TRP A 25 3.401 2.627 -5.278 1.00 0.00 O ATOM 343 CB TRP A 25 0.921 4.280 -6.877 1.00 0.00 C ATOM 344 CG TRP A 25 -0.511 4.243 -7.318 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.385 3.203 -7.178 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.234 5.293 -7.971 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.608 3.543 -7.705 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.541 4.820 -8.197 1.00 0.00 C ATOM 349 CE3 TRP A 25 -0.905 6.586 -8.384 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.516 5.596 -8.819 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -1.873 7.355 -9.002 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.166 6.858 -9.214 1.00 0.00 C ATOM 0 H TRP A 25 -0.432 4.582 -4.828 1.00 0.00 H new ATOM 0 HA TRP A 25 0.955 2.435 -5.777 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.218 5.317 -6.720 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.550 3.885 -7.675 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.150 2.253 -6.721 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.432 2.942 -7.726 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.088 6.978 -8.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.513 5.215 -8.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -1.629 8.356 -9.327 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -3.901 7.484 -9.699 1.00 0.00 H new ATOM 363 N TYR A 26 3.054 4.794 -4.782 1.00 0.00 N ATOM 364 CA TYR A 26 4.434 5.036 -4.378 1.00 0.00 C ATOM 365 C TYR A 26 4.976 3.866 -3.564 1.00 0.00 C ATOM 366 O TYR A 26 6.077 3.374 -3.817 1.00 0.00 O ATOM 367 CB TYR A 26 4.530 6.327 -3.564 1.00 0.00 C ATOM 368 CG TYR A 26 5.922 6.616 -3.049 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.963 6.899 -3.926 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.198 6.605 -1.688 1.00 0.00 C ATOM 371 CE1 TYR A 26 8.237 7.163 -3.461 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.468 6.869 -1.214 1.00 0.00 C ATOM 373 CZ TYR A 26 8.484 7.147 -2.104 1.00 0.00 C ATOM 374 OH TYR A 26 9.751 7.410 -1.636 1.00 0.00 O ATOM 0 H TYR A 26 2.445 5.609 -4.712 1.00 0.00 H new ATOM 0 HA TYR A 26 5.038 5.138 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.200 7.162 -4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.844 6.266 -2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.773 6.913 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.405 6.386 -0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.035 7.381 -4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.664 6.858 -0.152 1.00 0.00 H new ATOM 0 HH TYR A 26 9.755 7.360 -0.657 1.00 0.00 H new ATOM 384 N LEU A 27 4.195 3.423 -2.585 1.00 0.00 N ATOM 385 CA LEU A 27 4.595 2.309 -1.731 1.00 0.00 C ATOM 386 C LEU A 27 4.881 1.063 -2.562 1.00 0.00 C ATOM 387 O LEU A 27 5.959 0.476 -2.465 1.00 0.00 O ATOM 388 CB LEU A 27 3.502 2.011 -0.704 1.00 0.00 C ATOM 389 CG LEU A 27 3.040 3.194 0.149 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.645 2.943 0.700 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.025 3.452 1.280 1.00 0.00 C ATOM 0 H LEU A 27 3.281 3.818 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 27 5.508 2.593 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.637 1.609 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.862 1.227 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 27 3.003 4.081 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.334 3.795 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.946 2.809 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.654 2.045 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.681 4.297 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.094 2.566 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.006 3.678 0.863 1.00 0.00 H new ATOM 403 N GLU A 28 3.911 0.666 -3.379 1.00 0.00 N ATOM 404 CA GLU A 28 4.061 -0.511 -4.228 1.00 0.00 C ATOM 405 C GLU A 28 5.419 -0.510 -4.924 1.00 0.00 C ATOM 406 O GLU A 28 5.931 -1.561 -5.310 1.00 0.00 O ATOM 407 CB GLU A 28 2.941 -0.562 -5.269 1.00 0.00 C ATOM 408 CG GLU A 28 2.696 -1.952 -5.831 1.00 0.00 C ATOM 409 CD GLU A 28 1.965 -2.854 -4.856 1.00 0.00 C ATOM 410 OE1 GLU A 28 1.983 -2.555 -3.644 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.375 -3.859 -5.305 1.00 0.00 O ATOM 0 H GLU A 28 3.013 1.141 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 28 3.998 -1.396 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.020 -0.194 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.187 0.114 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.116 -1.871 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.651 -2.407 -6.095 1.00 0.00 H new ATOM 418 N ILE A 29 5.995 0.677 -5.081 1.00 0.00 N ATOM 419 CA ILE A 29 7.293 0.815 -5.730 1.00 0.00 C ATOM 420 C ILE A 29 8.427 0.738 -4.714 1.00 0.00 C ATOM 421 O ILE A 29 9.358 -0.053 -4.865 1.00 0.00 O ATOM 422 CB ILE A 29 7.399 2.145 -6.500 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.214 2.302 -7.455 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.713 2.212 -7.264 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.940 3.737 -7.847 1.00 0.00 C ATOM 0 H ILE A 29 5.584 1.556 -4.768 1.00 0.00 H new ATOM 0 HA ILE A 29 7.383 -0.012 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 29 7.376 2.965 -5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.404 1.718 -8.355 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.322 1.885 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.773 3.158 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.545 2.140 -6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.764 1.386 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.087 3.773 -8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.719 4.322 -6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.817 4.152 -8.345 1.00 0.00 H new ATOM 437 N VAL A 30 8.341 1.564 -3.676 1.00 0.00 N ATOM 438 CA VAL A 30 9.359 1.588 -2.631 1.00 0.00 C ATOM 439 C VAL A 30 9.430 0.250 -1.903 1.00 0.00 C ATOM 440 O VAL A 30 10.382 -0.020 -1.171 1.00 0.00 O ATOM 441 CB VAL A 30 9.085 2.704 -1.606 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.559 3.950 -2.302 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.107 2.223 -0.544 1.00 0.00 C ATOM 0 H VAL A 30 7.577 2.225 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 30 10.313 1.783 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 30 10.023 2.961 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.371 4.728 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.297 4.304 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.631 3.712 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.925 3.024 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.167 1.938 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.528 1.362 -0.025 1.00 0.00 H new ATOM 453 N ASP A 31 8.416 -0.584 -2.109 1.00 0.00 N ATOM 454 CA ASP A 31 8.364 -1.895 -1.473 1.00 0.00 C ATOM 455 C ASP A 31 8.765 -2.992 -2.455 1.00 0.00 C ATOM 456 O ASP A 31 9.500 -3.915 -2.106 1.00 0.00 O ATOM 457 CB ASP A 31 6.960 -2.167 -0.931 1.00 0.00 C ATOM 458 CG ASP A 31 6.974 -3.078 0.281 1.00 0.00 C ATOM 459 OD1 ASP A 31 6.897 -4.311 0.097 1.00 0.00 O ATOM 460 OD2 ASP A 31 7.060 -2.558 1.413 1.00 0.00 O ATOM 0 H ASP A 31 7.620 -0.375 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 31 9.072 -1.898 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.487 -1.222 -0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.352 -2.619 -1.715 1.00 0.00 H new ATOM 465 N LYS A 32 8.276 -2.884 -3.686 1.00 0.00 N ATOM 466 CA LYS A 32 8.582 -3.866 -4.720 1.00 0.00 C ATOM 467 C LYS A 32 9.538 -3.284 -5.756 1.00 0.00 C ATOM 468 O LYS A 32 10.534 -3.910 -6.117 1.00 0.00 O ATOM 469 CB LYS A 32 7.296 -4.334 -5.404 1.00 0.00 C ATOM 470 CG LYS A 32 6.163 -4.627 -4.435 1.00 0.00 C ATOM 471 CD LYS A 32 6.505 -5.784 -3.511 1.00 0.00 C ATOM 472 CE LYS A 32 5.788 -5.660 -2.175 1.00 0.00 C ATOM 473 NZ LYS A 32 4.393 -6.175 -2.245 1.00 0.00 N ATOM 0 H LYS A 32 7.666 -2.126 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 32 9.065 -4.720 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.971 -3.569 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.509 -5.232 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.951 -3.737 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.257 -4.862 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.230 -6.725 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.582 -5.813 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.341 -6.211 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.774 -4.615 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.938 -6.073 -1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.858 -5.633 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.407 -7.179 -2.515 1.00 0.00 H new ATOM 487 N GLY A 33 9.229 -2.081 -6.231 1.00 0.00 N ATOM 488 CA GLY A 33 10.072 -1.434 -7.220 1.00 0.00 C ATOM 489 C GLY A 33 9.269 -0.772 -8.322 1.00 0.00 C ATOM 490 O GLY A 33 9.776 0.097 -9.032 1.00 0.00 O ATOM 0 H GLY A 33 8.410 -1.543 -5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.695 -0.686 -6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.745 -2.171 -7.658 1.00 0.00 H new ATOM 494 N SER A 34 8.014 -1.184 -8.467 1.00 0.00 N ATOM 495 CA SER A 34 7.141 -0.628 -9.494 1.00 0.00 C ATOM 496 C SER A 34 5.675 -0.770 -9.096 1.00 0.00 C ATOM 497 O SER A 34 5.348 -1.432 -8.111 1.00 0.00 O ATOM 498 CB SER A 34 7.387 -1.325 -10.834 1.00 0.00 C ATOM 499 OG SER A 34 7.144 -2.718 -10.737 1.00 0.00 O ATOM 0 H SER A 34 7.579 -1.901 -7.886 1.00 0.00 H new ATOM 0 HA SER A 34 7.371 0.433 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.740 -0.892 -11.597 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.415 -1.153 -11.153 1.00 0.00 H new ATOM 0 HG SER A 34 7.307 -3.140 -11.607 1.00 0.00 H new ATOM 505 N VAL A 35 4.795 -0.143 -9.870 1.00 0.00 N ATOM 506 CA VAL A 35 3.363 -0.199 -9.601 1.00 0.00 C ATOM 507 C VAL A 35 2.603 -0.780 -10.787 1.00 0.00 C ATOM 508 O VAL A 35 2.937 -0.515 -11.942 1.00 0.00 O ATOM 509 CB VAL A 35 2.798 1.197 -9.277 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.991 2.138 -10.457 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.328 1.101 -8.896 1.00 0.00 C ATOM 0 H VAL A 35 5.049 0.410 -10.689 1.00 0.00 H new ATOM 0 HA VAL A 35 3.229 -0.847 -8.735 1.00 0.00 H new ATOM 0 HB VAL A 35 3.345 1.603 -8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.586 3.119 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.054 2.230 -10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.471 1.740 -11.329 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.945 2.096 -8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.764 0.675 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.220 0.463 -8.019 1.00 0.00 H new ATOM 521 N SER A 36 1.578 -1.575 -10.495 1.00 0.00 N ATOM 522 CA SER A 36 0.772 -2.198 -11.538 1.00 0.00 C ATOM 523 C SER A 36 -0.479 -1.372 -11.823 1.00 0.00 C ATOM 524 O SER A 36 -0.848 -0.493 -11.044 1.00 0.00 O ATOM 525 CB SER A 36 0.376 -3.617 -11.127 1.00 0.00 C ATOM 526 OG SER A 36 -0.501 -4.198 -12.076 1.00 0.00 O ATOM 0 H SER A 36 1.286 -1.803 -9.544 1.00 0.00 H new ATOM 0 HA SER A 36 1.372 -2.245 -12.447 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.270 -4.233 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.105 -3.595 -10.149 1.00 0.00 H new ATOM 0 HG SER A 36 -0.737 -5.105 -11.791 1.00 0.00 H new ATOM 532 N CYS A 37 -1.127 -1.660 -12.947 1.00 0.00 N ATOM 533 CA CYS A 37 -2.336 -0.945 -13.338 1.00 0.00 C ATOM 534 C CYS A 37 -3.519 -1.362 -12.469 1.00 0.00 C ATOM 535 O CYS A 37 -3.996 -2.496 -12.528 1.00 0.00 O ATOM 536 CB CYS A 37 -2.654 -1.207 -14.811 1.00 0.00 C ATOM 537 SG CYS A 37 -3.921 -0.098 -15.506 1.00 0.00 S ATOM 0 H CYS A 37 -0.835 -2.384 -13.603 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.160 0.121 -13.195 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.738 -1.105 -15.393 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.989 -2.238 -14.922 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.661 0.127 -16.760 1.00 0.00 H new ATOM 542 N PRO A 38 -4.006 -0.424 -11.642 1.00 0.00 N ATOM 543 CA PRO A 38 -5.140 -0.670 -10.746 1.00 0.00 C ATOM 544 C PRO A 38 -6.454 -0.824 -11.504 1.00 0.00 C ATOM 545 O PRO A 38 -7.503 -1.068 -10.906 1.00 0.00 O ATOM 546 CB PRO A 38 -5.173 0.582 -9.866 1.00 0.00 C ATOM 547 CG PRO A 38 -4.532 1.643 -10.691 1.00 0.00 C ATOM 548 CD PRO A 38 -3.487 0.948 -11.520 1.00 0.00 C ATOM 0 HA PRO A 38 -5.025 -1.598 -10.186 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.195 0.851 -9.599 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.631 0.425 -8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.266 2.141 -11.325 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.083 2.410 -10.060 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.368 1.421 -12.495 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.511 0.967 -11.035 1.00 0.00 H new ATOM 556 N THR A 39 -6.392 -0.680 -12.824 1.00 0.00 N ATOM 557 CA THR A 39 -7.577 -0.803 -13.663 1.00 0.00 C ATOM 558 C THR A 39 -7.607 -2.148 -14.379 1.00 0.00 C ATOM 559 O THR A 39 -8.545 -2.929 -14.217 1.00 0.00 O ATOM 560 CB THR A 39 -7.644 0.325 -14.710 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.496 1.597 -14.069 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.962 0.283 -15.468 1.00 0.00 C ATOM 0 H THR A 39 -5.533 -0.478 -13.335 1.00 0.00 H new ATOM 0 HA THR A 39 -8.441 -0.727 -13.002 1.00 0.00 H new ATOM 0 HB THR A 39 -6.831 0.180 -15.421 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.538 2.309 -14.741 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.986 1.089 -16.201 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.058 -0.675 -15.979 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.788 0.405 -14.768 1.00 0.00 H new ATOM 570 N CYS A 40 -6.575 -2.414 -15.172 1.00 0.00 N ATOM 571 CA CYS A 40 -6.482 -3.666 -15.914 1.00 0.00 C ATOM 572 C CYS A 40 -5.632 -4.684 -15.159 1.00 0.00 C ATOM 573 O CYS A 40 -5.852 -5.890 -15.265 1.00 0.00 O ATOM 574 CB CYS A 40 -5.887 -3.417 -17.301 1.00 0.00 C ATOM 575 SG CYS A 40 -4.117 -2.989 -17.286 1.00 0.00 S ATOM 0 H CYS A 40 -5.790 -1.779 -15.318 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.488 -4.070 -16.024 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.029 -4.309 -17.911 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.441 -2.611 -17.782 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.961 -1.805 -16.773 1.00 0.00 H new ATOM 580 N GLN A 41 -4.662 -4.188 -14.398 1.00 0.00 N ATOM 581 CA GLN A 41 -3.779 -5.054 -13.626 1.00 0.00 C ATOM 582 C GLN A 41 -3.029 -6.019 -14.538 1.00 0.00 C ATOM 583 O GLN A 41 -2.927 -7.211 -14.247 1.00 0.00 O ATOM 584 CB GLN A 41 -4.580 -5.837 -12.584 1.00 0.00 C ATOM 585 CG GLN A 41 -5.327 -4.951 -11.600 1.00 0.00 C ATOM 586 CD GLN A 41 -5.838 -5.718 -10.396 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.114 -6.915 -10.480 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.967 -5.031 -9.267 1.00 0.00 N ATOM 0 H GLN A 41 -4.468 -3.192 -14.300 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.050 -4.424 -13.116 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.295 -6.481 -13.096 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.903 -6.489 -12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.667 -4.151 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.167 -4.478 -12.108 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.726 -4.040 -9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.307 -5.494 -8.424 1.00 0.00 H new ATOM 597 N ALA A 42 -2.507 -5.497 -15.643 1.00 0.00 N ATOM 598 CA ALA A 42 -1.765 -6.312 -16.597 1.00 0.00 C ATOM 599 C ALA A 42 -0.323 -5.833 -16.724 1.00 0.00 C ATOM 600 O ALA A 42 0.606 -6.638 -16.790 1.00 0.00 O ATOM 601 CB ALA A 42 -2.451 -6.291 -17.954 1.00 0.00 C ATOM 0 H ALA A 42 -2.584 -4.513 -15.900 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.748 -7.337 -16.226 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.886 -6.904 -18.657 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.461 -6.688 -17.857 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.498 -5.266 -18.322 1.00 0.00 H new ATOM 607 N VAL A 43 -0.142 -4.516 -16.758 1.00 0.00 N ATOM 608 CA VAL A 43 1.187 -3.929 -16.876 1.00 0.00 C ATOM 609 C VAL A 43 1.386 -2.809 -15.862 1.00 0.00 C ATOM 610 O VAL A 43 0.430 -2.152 -15.452 1.00 0.00 O ATOM 611 CB VAL A 43 1.432 -3.375 -18.292 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.418 -4.500 -19.316 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.394 -2.317 -18.636 1.00 0.00 C ATOM 0 H VAL A 43 -0.900 -3.836 -16.705 1.00 0.00 H new ATOM 0 HA VAL A 43 1.903 -4.726 -16.677 1.00 0.00 H new ATOM 0 HB VAL A 43 2.416 -2.908 -18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.593 -4.089 -20.310 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.202 -5.219 -19.077 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.449 -4.999 -19.295 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.582 -1.936 -19.640 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.602 -2.758 -18.596 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.458 -1.498 -17.919 1.00 0.00 H new ATOM 623 N GLY A 44 2.636 -2.595 -15.461 1.00 0.00 N ATOM 624 CA GLY A 44 2.938 -1.552 -14.498 1.00 0.00 C ATOM 625 C GLY A 44 3.981 -0.577 -15.007 1.00 0.00 C ATOM 626 O GLY A 44 4.386 -0.642 -16.168 1.00 0.00 O ATOM 0 H GLY A 44 3.444 -3.125 -15.786 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.024 -1.009 -14.257 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.292 -2.007 -13.573 1.00 0.00 H new ATOM 630 N ARG A 45 4.415 0.329 -14.138 1.00 0.00 N ATOM 631 CA ARG A 45 5.415 1.324 -14.508 1.00 0.00 C ATOM 632 C ARG A 45 6.437 1.508 -13.390 1.00 0.00 C ATOM 633 O ARG A 45 6.123 1.339 -12.212 1.00 0.00 O ATOM 634 CB ARG A 45 4.742 2.661 -14.824 1.00 0.00 C ATOM 635 CG ARG A 45 3.967 2.659 -16.131 1.00 0.00 C ATOM 636 CD ARG A 45 4.892 2.810 -17.328 1.00 0.00 C ATOM 637 NE ARG A 45 5.442 1.528 -17.760 1.00 0.00 N ATOM 638 CZ ARG A 45 6.545 1.411 -18.491 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.213 2.493 -18.868 1.00 0.00 N ATOM 640 NH2 ARG A 45 6.983 0.210 -18.845 1.00 0.00 N ATOM 0 H ARG A 45 4.090 0.395 -13.173 1.00 0.00 H new ATOM 0 HA ARG A 45 5.935 0.968 -15.397 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.064 2.918 -14.010 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.503 3.441 -14.864 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.404 1.730 -16.220 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.241 3.472 -16.126 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.345 3.266 -18.153 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.707 3.487 -17.073 1.00 0.00 H new ATOM 0 HE ARG A 45 4.953 0.676 -17.486 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.880 3.418 -18.597 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.060 2.400 -19.429 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.473 -0.625 -18.556 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.830 0.121 -19.406 1.00 0.00 H new ATOM 654 N LYS A 46 7.663 1.856 -13.768 1.00 0.00 N ATOM 655 CA LYS A 46 8.732 2.064 -12.799 1.00 0.00 C ATOM 656 C LYS A 46 8.289 3.020 -11.696 1.00 0.00 C ATOM 657 O LYS A 46 8.436 2.727 -10.509 1.00 0.00 O ATOM 658 CB LYS A 46 9.979 2.615 -13.495 1.00 0.00 C ATOM 659 CG LYS A 46 10.844 1.541 -14.132 1.00 0.00 C ATOM 660 CD LYS A 46 12.285 2.002 -14.282 1.00 0.00 C ATOM 661 CE LYS A 46 13.011 2.006 -12.945 1.00 0.00 C ATOM 662 NZ LYS A 46 14.488 1.926 -13.116 1.00 0.00 N ATOM 0 H LYS A 46 7.940 2.000 -14.739 1.00 0.00 H new ATOM 0 HA LYS A 46 8.970 1.101 -12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.672 3.326 -14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.576 3.167 -12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.812 0.638 -13.523 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.441 1.280 -15.110 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.807 1.346 -14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.305 3.004 -14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.757 2.913 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.669 1.164 -12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.946 1.931 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.732 1.048 -13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.818 2.743 -13.668 1.00 0.00 H new ATOM 676 N THR A 47 7.745 4.166 -12.096 1.00 0.00 N ATOM 677 CA THR A 47 7.280 5.164 -11.142 1.00 0.00 C ATOM 678 C THR A 47 5.831 5.552 -11.414 1.00 0.00 C ATOM 679 O THR A 47 5.248 5.144 -12.419 1.00 0.00 O ATOM 680 CB THR A 47 8.155 6.431 -11.183 1.00 0.00 C ATOM 681 OG1 THR A 47 8.614 6.666 -12.519 1.00 0.00 O ATOM 682 CG2 THR A 47 9.347 6.296 -10.248 1.00 0.00 C ATOM 0 H THR A 47 7.616 4.425 -13.074 1.00 0.00 H new ATOM 0 HA THR A 47 7.353 4.713 -10.152 1.00 0.00 H new ATOM 0 HB THR A 47 7.549 7.275 -10.854 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.168 7.474 -12.537 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.950 7.203 -10.294 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.994 6.146 -9.228 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.952 5.442 -10.551 1.00 0.00 H new ATOM 690 N ILE A 48 5.256 6.343 -10.514 1.00 0.00 N ATOM 691 CA ILE A 48 3.875 6.787 -10.660 1.00 0.00 C ATOM 692 C ILE A 48 3.681 7.564 -11.957 1.00 0.00 C ATOM 693 O ILE A 48 2.782 7.266 -12.742 1.00 0.00 O ATOM 694 CB ILE A 48 3.440 7.670 -9.475 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.748 6.971 -8.150 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.958 7.998 -9.576 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.354 7.780 -6.934 1.00 0.00 C ATOM 0 H ILE A 48 5.725 6.689 -9.677 1.00 0.00 H new ATOM 0 HA ILE A 48 3.256 5.890 -10.681 1.00 0.00 H new ATOM 0 HB ILE A 48 4.002 8.603 -9.510 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.227 6.014 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.815 6.755 -8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.665 8.622 -8.732 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.766 8.532 -10.506 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.379 7.074 -9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.602 7.223 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.894 8.727 -6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.282 7.974 -6.958 1.00 0.00 H new ATOM 709 N GLU A 49 4.533 8.561 -12.176 1.00 0.00 N ATOM 710 CA GLU A 49 4.455 9.381 -13.379 1.00 0.00 C ATOM 711 C GLU A 49 4.084 8.533 -14.592 1.00 0.00 C ATOM 712 O GLU A 49 3.145 8.850 -15.322 1.00 0.00 O ATOM 713 CB GLU A 49 5.789 10.089 -13.628 1.00 0.00 C ATOM 714 CG GLU A 49 6.110 11.160 -12.599 1.00 0.00 C ATOM 715 CD GLU A 49 4.993 12.173 -12.443 1.00 0.00 C ATOM 716 OE1 GLU A 49 4.619 12.803 -13.454 1.00 0.00 O ATOM 717 OE2 GLU A 49 4.493 12.336 -11.310 1.00 0.00 O ATOM 0 H GLU A 49 5.284 8.820 -11.537 1.00 0.00 H new ATOM 0 HA GLU A 49 3.677 10.129 -13.228 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.589 9.349 -13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.771 10.543 -14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.303 10.687 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.025 11.676 -12.890 1.00 0.00 H new ATOM 724 N GLY A 50 4.828 7.451 -14.801 1.00 0.00 N ATOM 725 CA GLY A 50 4.562 6.574 -15.927 1.00 0.00 C ATOM 726 C GLY A 50 3.169 5.979 -15.882 1.00 0.00 C ATOM 727 O GLY A 50 2.398 6.112 -16.833 1.00 0.00 O ATOM 0 H GLY A 50 5.610 7.166 -14.211 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.686 7.132 -16.855 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.297 5.769 -15.938 1.00 0.00 H new ATOM 731 N LEU A 51 2.845 5.319 -14.775 1.00 0.00 N ATOM 732 CA LEU A 51 1.534 4.699 -14.610 1.00 0.00 C ATOM 733 C LEU A 51 0.419 5.691 -14.925 1.00 0.00 C ATOM 734 O LEU A 51 -0.474 5.405 -15.723 1.00 0.00 O ATOM 735 CB LEU A 51 1.374 4.171 -13.183 1.00 0.00 C ATOM 736 CG LEU A 51 -0.049 3.810 -12.757 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.351 2.356 -13.081 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.246 4.080 -11.272 1.00 0.00 C ATOM 0 H LEU A 51 3.471 5.199 -13.979 1.00 0.00 H new ATOM 0 HA LEU A 51 1.463 3.866 -15.310 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.001 3.286 -13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.759 4.923 -12.494 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.745 4.437 -13.315 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.368 2.118 -12.770 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.252 2.194 -14.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.350 1.712 -12.551 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.265 3.817 -10.986 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.459 3.480 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.073 5.137 -11.068 1.00 0.00 H new ATOM 750 N LYS A 52 0.478 6.860 -14.295 1.00 0.00 N ATOM 751 CA LYS A 52 -0.524 7.897 -14.510 1.00 0.00 C ATOM 752 C LYS A 52 -0.887 8.004 -15.988 1.00 0.00 C ATOM 753 O LYS A 52 -2.064 8.037 -16.348 1.00 0.00 O ATOM 754 CB LYS A 52 -0.010 9.245 -14.001 1.00 0.00 C ATOM 755 CG LYS A 52 0.012 9.356 -12.487 1.00 0.00 C ATOM 756 CD LYS A 52 0.854 10.533 -12.025 1.00 0.00 C ATOM 757 CE LYS A 52 0.396 11.049 -10.670 1.00 0.00 C ATOM 758 NZ LYS A 52 1.282 12.132 -10.160 1.00 0.00 N ATOM 0 H LYS A 52 1.210 7.113 -13.631 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.420 7.623 -13.953 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.998 9.408 -14.383 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.637 10.040 -14.406 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.006 9.468 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.408 8.435 -12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.900 10.232 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.794 11.335 -12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.625 11.423 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.379 10.227 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.936 12.457 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.251 11.769 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.278 12.928 -10.830 1.00 0.00 H new ATOM 772 N LYS A 53 0.130 8.057 -16.840 1.00 0.00 N ATOM 773 CA LYS A 53 -0.081 8.158 -18.280 1.00 0.00 C ATOM 774 C LYS A 53 -0.727 6.888 -18.825 1.00 0.00 C ATOM 775 O LYS A 53 -1.492 6.934 -19.789 1.00 0.00 O ATOM 776 CB LYS A 53 1.248 8.414 -18.994 1.00 0.00 C ATOM 777 CG LYS A 53 1.087 9.002 -20.385 1.00 0.00 C ATOM 778 CD LYS A 53 0.751 10.483 -20.329 1.00 0.00 C ATOM 779 CE LYS A 53 2.008 11.337 -20.263 1.00 0.00 C ATOM 780 NZ LYS A 53 2.510 11.478 -18.869 1.00 0.00 N ATOM 0 H LYS A 53 1.110 8.032 -16.559 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.753 8.995 -18.466 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.851 9.092 -18.390 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.799 7.476 -19.066 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.008 8.858 -20.951 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.299 8.469 -20.917 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.168 10.759 -21.208 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.128 10.683 -19.458 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.784 10.890 -20.885 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.798 12.324 -20.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.917 12.426 -18.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.723 11.346 -18.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.241 10.760 -18.689 1.00 0.00 H new ATOM 794 N HIS A 54 -0.416 5.756 -18.201 1.00 0.00 N ATOM 795 CA HIS A 54 -0.969 4.474 -18.623 1.00 0.00 C ATOM 796 C HIS A 54 -2.449 4.377 -18.268 1.00 0.00 C ATOM 797 O HIS A 54 -3.289 4.123 -19.131 1.00 0.00 O ATOM 798 CB HIS A 54 -0.200 3.324 -17.972 1.00 0.00 C ATOM 799 CG HIS A 54 -0.780 1.974 -18.264 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.916 1.475 -19.542 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.258 1.018 -17.435 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.455 0.270 -19.486 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.671 -0.031 -18.218 1.00 0.00 N ATOM 0 H HIS A 54 0.216 5.701 -17.402 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.868 4.402 -19.706 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.834 3.348 -18.316 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.180 3.476 -16.893 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.306 1.070 -16.357 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.681 -0.361 -20.333 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.078 -0.901 -17.876 1.00 0.00 H new ATOM 811 N MET A 55 -2.761 4.580 -16.992 1.00 0.00 N ATOM 812 CA MET A 55 -4.141 4.516 -16.524 1.00 0.00 C ATOM 813 C MET A 55 -4.955 5.685 -17.069 1.00 0.00 C ATOM 814 O MET A 55 -6.109 5.519 -17.462 1.00 0.00 O ATOM 815 CB MET A 55 -4.183 4.520 -14.994 1.00 0.00 C ATOM 816 CG MET A 55 -3.746 5.838 -14.377 1.00 0.00 C ATOM 817 SD MET A 55 -3.270 5.671 -12.646 1.00 0.00 S ATOM 818 CE MET A 55 -4.626 4.686 -12.016 1.00 0.00 C ATOM 0 H MET A 55 -2.078 4.790 -16.264 1.00 0.00 H new ATOM 0 HA MET A 55 -4.580 3.588 -16.891 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.198 4.294 -14.666 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.541 3.723 -14.619 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.906 6.239 -14.944 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.559 6.560 -14.458 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.467 4.483 -10.957 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.562 5.230 -12.144 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.676 3.744 -12.563 1.00 0.00 H new ATOM 828 N GLU A 56 -4.346 6.867 -17.089 1.00 0.00 N ATOM 829 CA GLU A 56 -5.017 8.063 -17.586 1.00 0.00 C ATOM 830 C GLU A 56 -5.961 7.720 -18.735 1.00 0.00 C ATOM 831 O GLU A 56 -7.056 8.269 -18.836 1.00 0.00 O ATOM 832 CB GLU A 56 -3.988 9.097 -18.047 1.00 0.00 C ATOM 833 CG GLU A 56 -3.572 10.071 -16.958 1.00 0.00 C ATOM 834 CD GLU A 56 -4.464 11.296 -16.899 1.00 0.00 C ATOM 835 OE1 GLU A 56 -5.002 11.689 -17.955 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.623 11.860 -15.796 1.00 0.00 O ATOM 0 H GLU A 56 -3.391 7.022 -16.767 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.605 8.485 -16.770 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.103 8.577 -18.415 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.400 9.658 -18.886 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.594 9.563 -15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.542 10.384 -17.130 1.00 0.00 H new ATOM 958 N THR A 64 -11.708 -7.454 -26.384 1.00 0.00 N ATOM 959 CA THR A 64 -11.018 -7.635 -27.655 1.00 0.00 C ATOM 960 C THR A 64 -11.270 -9.027 -28.223 1.00 0.00 C ATOM 961 O THR A 64 -10.976 -10.034 -27.579 1.00 0.00 O ATOM 962 CB THR A 64 -9.500 -7.421 -27.505 1.00 0.00 C ATOM 963 OG1 THR A 64 -9.245 -6.225 -26.760 1.00 0.00 O ATOM 964 CG2 THR A 64 -8.830 -7.328 -28.868 1.00 0.00 C ATOM 0 HA THR A 64 -11.417 -6.888 -28.341 1.00 0.00 H new ATOM 0 HB THR A 64 -9.086 -8.276 -26.971 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.913 -6.134 -26.048 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.758 -7.177 -28.737 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.001 -8.251 -29.421 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.250 -6.489 -29.423 1.00 0.00 H new ATOM 972 N CYS A 65 -11.814 -9.077 -29.434 1.00 0.00 N ATOM 973 CA CYS A 65 -12.105 -10.345 -30.091 1.00 0.00 C ATOM 974 C CYS A 65 -10.834 -11.172 -30.266 1.00 0.00 C ATOM 975 O CYS A 65 -9.724 -10.645 -30.192 1.00 0.00 O ATOM 976 CB CYS A 65 -12.759 -10.101 -31.452 1.00 0.00 C ATOM 977 SG CYS A 65 -12.794 -11.566 -32.534 1.00 0.00 S ATOM 0 H CYS A 65 -12.062 -8.253 -29.981 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.796 -10.902 -29.458 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.780 -9.754 -31.295 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.225 -9.299 -31.961 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.716 -11.415 -33.439 1.00 0.00 H new ATOM 982 N HIS A 66 -11.006 -12.469 -30.498 1.00 0.00 N ATOM 983 CA HIS A 66 -9.873 -13.369 -30.684 1.00 0.00 C ATOM 984 C HIS A 66 -9.695 -13.720 -32.158 1.00 0.00 C ATOM 985 O HIS A 66 -8.571 -13.819 -32.651 1.00 0.00 O ATOM 986 CB HIS A 66 -10.068 -14.645 -29.864 1.00 0.00 C ATOM 987 CG HIS A 66 -9.800 -14.464 -28.402 1.00 0.00 C ATOM 988 ND1 HIS A 66 -10.483 -15.151 -27.421 1.00 0.00 N ATOM 989 CD2 HIS A 66 -8.915 -13.669 -27.756 1.00 0.00 C ATOM 990 CE1 HIS A 66 -10.032 -14.785 -26.234 1.00 0.00 C ATOM 991 NE2 HIS A 66 -9.079 -13.887 -26.410 1.00 0.00 N ATOM 0 H HIS A 66 -11.918 -12.921 -30.562 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.974 -12.858 -30.339 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -11.090 -15.000 -29.996 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.409 -15.421 -30.253 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.211 -12.990 -28.214 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.383 -15.157 -25.282 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -8.551 -13.430 -25.667 1.00 0.00 H new ATOM 999 N HIS A 67 -10.810 -13.907 -32.856 1.00 0.00 N ATOM 1000 CA HIS A 67 -10.777 -14.246 -34.274 1.00 0.00 C ATOM 1001 C HIS A 67 -10.056 -13.166 -35.075 1.00 0.00 C ATOM 1002 O HIS A 67 -8.983 -13.403 -35.631 1.00 0.00 O ATOM 1003 CB HIS A 67 -12.197 -14.433 -34.810 1.00 0.00 C ATOM 1004 CG HIS A 67 -13.000 -15.436 -34.041 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -12.582 -16.733 -33.832 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -14.202 -15.326 -33.428 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -13.493 -17.379 -33.125 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -14.486 -16.547 -32.867 1.00 0.00 N ATOM 0 H HIS A 67 -11.748 -13.830 -32.463 1.00 0.00 H new ATOM 0 HA HIS A 67 -10.229 -15.182 -34.385 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.714 -13.473 -34.789 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.145 -14.745 -35.853 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.822 -14.443 -33.388 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -13.435 -18.411 -32.812 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.327 -16.774 -32.337 1.00 0.00 H new ATOM 1016 N CYS A 68 -10.653 -11.980 -35.131 1.00 0.00 N ATOM 1017 CA CYS A 68 -10.070 -10.864 -35.864 1.00 0.00 C ATOM 1018 C CYS A 68 -9.210 -10.000 -34.946 1.00 0.00 C ATOM 1019 O CYS A 68 -8.080 -9.650 -35.284 1.00 0.00 O ATOM 1020 CB CYS A 68 -11.171 -10.013 -36.500 1.00 0.00 C ATOM 1021 SG CYS A 68 -12.309 -9.252 -35.298 1.00 0.00 S ATOM 0 H CYS A 68 -11.541 -11.768 -34.677 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.435 -11.271 -36.651 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.709 -9.226 -37.096 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.746 -10.635 -37.186 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.496 -10.066 -34.302 1.00 0.00 H new ATOM 1026 N GLY A 69 -9.754 -9.660 -33.782 1.00 0.00 N ATOM 1027 CA GLY A 69 -9.023 -8.840 -32.833 1.00 0.00 C ATOM 1028 C GLY A 69 -9.615 -7.452 -32.690 1.00 0.00 C ATOM 1029 O GLY A 69 -8.910 -6.500 -32.353 1.00 0.00 O ATOM 0 H GLY A 69 -10.688 -9.937 -33.479 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.019 -9.332 -31.860 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.984 -8.758 -33.153 1.00 0.00 H new ATOM 1033 N LYS A 70 -10.912 -7.333 -32.950 1.00 0.00 N ATOM 1034 CA LYS A 70 -11.599 -6.051 -32.850 1.00 0.00 C ATOM 1035 C LYS A 70 -11.585 -5.537 -31.414 1.00 0.00 C ATOM 1036 O LYS A 70 -11.490 -6.318 -30.467 1.00 0.00 O ATOM 1037 CB LYS A 70 -13.042 -6.183 -33.341 1.00 0.00 C ATOM 1038 CG LYS A 70 -13.602 -4.902 -33.936 1.00 0.00 C ATOM 1039 CD LYS A 70 -15.064 -5.056 -34.318 1.00 0.00 C ATOM 1040 CE LYS A 70 -15.456 -4.091 -35.426 1.00 0.00 C ATOM 1041 NZ LYS A 70 -15.255 -2.672 -35.023 1.00 0.00 N ATOM 0 H LYS A 70 -11.510 -8.110 -33.232 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.071 -5.334 -33.479 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.091 -6.973 -34.090 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.673 -6.493 -32.508 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.497 -4.090 -33.217 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.022 -4.625 -34.817 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.250 -6.080 -34.643 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.690 -4.881 -33.443 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.865 -4.302 -36.317 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.501 -4.248 -35.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.160 -2.163 -35.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.898 -2.636 -34.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.566 -2.224 -35.660 1.00 0.00 H new ATOM 1055 N GLN A 71 -11.682 -4.220 -31.260 1.00 0.00 N ATOM 1056 CA GLN A 71 -11.681 -3.604 -29.939 1.00 0.00 C ATOM 1057 C GLN A 71 -12.773 -2.544 -29.832 1.00 0.00 C ATOM 1058 O GLN A 71 -12.620 -1.427 -30.328 1.00 0.00 O ATOM 1059 CB GLN A 71 -10.316 -2.977 -29.646 1.00 0.00 C ATOM 1060 CG GLN A 71 -9.291 -3.970 -29.121 1.00 0.00 C ATOM 1061 CD GLN A 71 -8.241 -3.315 -28.245 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -7.439 -2.509 -28.716 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -8.241 -3.660 -26.963 1.00 0.00 N ATOM 0 H GLN A 71 -11.762 -3.560 -32.033 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.881 -4.383 -29.203 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.932 -2.519 -30.558 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.442 -2.177 -28.916 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.801 -4.747 -28.551 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.802 -4.461 -29.962 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.925 -4.333 -26.616 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.557 -3.252 -26.325 1.00 0.00 H new ATOM 1072 N LEU A 72 -13.875 -2.902 -29.182 1.00 0.00 N ATOM 1073 CA LEU A 72 -14.994 -1.982 -29.010 1.00 0.00 C ATOM 1074 C LEU A 72 -15.301 -1.769 -27.531 1.00 0.00 C ATOM 1075 O LEU A 72 -15.036 -2.638 -26.700 1.00 0.00 O ATOM 1076 CB LEU A 72 -16.235 -2.517 -29.727 1.00 0.00 C ATOM 1077 CG LEU A 72 -16.114 -2.683 -31.243 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -17.123 -3.701 -31.750 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -16.306 -1.345 -31.942 1.00 0.00 C ATOM 0 H LEU A 72 -14.018 -3.822 -28.766 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.714 -1.023 -29.447 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -16.491 -3.484 -29.295 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -17.068 -1.845 -29.520 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.113 -3.049 -31.471 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.022 -3.806 -32.830 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.939 -4.664 -31.273 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -18.132 -3.364 -31.511 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.217 -1.481 -33.020 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.294 -0.950 -31.707 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.545 -0.644 -31.601 1.00 0.00 H new ATOM 1091 N ARG A 73 -15.862 -0.608 -27.210 1.00 0.00 N ATOM 1092 CA ARG A 73 -16.206 -0.281 -25.831 1.00 0.00 C ATOM 1093 C ARG A 73 -17.482 -1.000 -25.404 1.00 0.00 C ATOM 1094 O ARG A 73 -17.536 -1.607 -24.335 1.00 0.00 O ATOM 1095 CB ARG A 73 -16.381 1.231 -25.672 1.00 0.00 C ATOM 1096 CG ARG A 73 -15.170 2.035 -26.116 1.00 0.00 C ATOM 1097 CD ARG A 73 -15.545 3.472 -26.443 1.00 0.00 C ATOM 1098 NE ARG A 73 -16.145 4.155 -25.301 1.00 0.00 N ATOM 1099 CZ ARG A 73 -16.781 5.318 -25.391 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -16.899 5.923 -26.564 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -17.300 5.877 -24.305 1.00 0.00 N ATOM 0 H ARG A 73 -16.088 0.122 -27.886 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.390 -0.615 -25.190 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -17.249 1.550 -26.248 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.592 1.456 -24.627 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.416 2.025 -25.329 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.722 1.566 -26.992 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.656 4.015 -26.763 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.244 3.483 -27.280 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.072 3.715 -24.384 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.501 5.496 -27.400 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.388 6.816 -26.630 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.211 5.414 -23.401 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.788 6.770 -24.375 1.00 0.00 H new ATOM 1115 N SER A 74 -18.507 -0.926 -26.247 1.00 0.00 N ATOM 1116 CA SER A 74 -19.785 -1.565 -25.954 1.00 0.00 C ATOM 1117 C SER A 74 -19.774 -3.026 -26.394 1.00 0.00 C ATOM 1118 O SER A 74 -19.563 -3.332 -27.568 1.00 0.00 O ATOM 1119 CB SER A 74 -20.924 -0.820 -26.652 1.00 0.00 C ATOM 1120 OG SER A 74 -20.961 0.540 -26.256 1.00 0.00 O ATOM 0 H SER A 74 -18.478 -0.430 -27.138 1.00 0.00 H new ATOM 0 HA SER A 74 -19.943 -1.528 -24.876 1.00 0.00 H new ATOM 0 HB2 SER A 74 -20.796 -0.884 -27.733 1.00 0.00 H new ATOM 0 HB3 SER A 74 -21.875 -1.297 -26.414 1.00 0.00 H new ATOM 0 HG SER A 74 -21.696 0.995 -26.717 1.00 0.00 H new ATOM 1126 N LEU A 75 -20.002 -3.925 -25.443 1.00 0.00 N ATOM 1127 CA LEU A 75 -20.019 -5.356 -25.730 1.00 0.00 C ATOM 1128 C LEU A 75 -21.042 -5.681 -26.813 1.00 0.00 C ATOM 1129 O LEU A 75 -20.756 -6.432 -27.745 1.00 0.00 O ATOM 1130 CB LEU A 75 -20.334 -6.147 -24.460 1.00 0.00 C ATOM 1131 CG LEU A 75 -20.135 -7.661 -24.545 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -18.661 -8.014 -24.421 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -20.947 -8.367 -23.469 1.00 0.00 C ATOM 0 H LEU A 75 -20.178 -3.689 -24.466 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.031 -5.641 -26.092 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -19.710 -5.763 -23.653 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.370 -5.952 -24.182 1.00 0.00 H new ATOM 0 HG LEU A 75 -20.488 -8.000 -25.519 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.539 -9.095 -24.484 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.104 -7.539 -25.228 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.282 -7.661 -23.462 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.793 -9.443 -23.545 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.626 -8.023 -22.486 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.005 -8.141 -23.605 1.00 0.00 H new ATOM 1145 N ALA A 76 -22.235 -5.110 -26.684 1.00 0.00 N ATOM 1146 CA ALA A 76 -23.300 -5.336 -27.653 1.00 0.00 C ATOM 1147 C ALA A 76 -22.779 -5.208 -29.081 1.00 0.00 C ATOM 1148 O ALA A 76 -22.736 -6.185 -29.827 1.00 0.00 O ATOM 1149 CB ALA A 76 -24.444 -4.362 -27.418 1.00 0.00 C ATOM 0 H ALA A 76 -22.488 -4.487 -25.917 1.00 0.00 H new ATOM 0 HA ALA A 76 -23.670 -6.352 -27.518 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -25.232 -4.543 -28.149 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -24.842 -4.504 -26.413 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -24.079 -3.340 -27.523 1.00 0.00 H new ATOM 1155 N GLY A 77 -22.383 -3.995 -29.455 1.00 0.00 N ATOM 1156 CA GLY A 77 -21.871 -3.761 -30.792 1.00 0.00 C ATOM 1157 C GLY A 77 -20.882 -4.824 -31.228 1.00 0.00 C ATOM 1158 O GLY A 77 -20.961 -5.334 -32.345 1.00 0.00 O ATOM 0 H GLY A 77 -22.408 -3.170 -28.855 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -22.702 -3.732 -31.496 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -21.389 -2.784 -30.827 1.00 0.00 H new ATOM 1162 N MET A 78 -19.946 -5.157 -30.345 1.00 0.00 N ATOM 1163 CA MET A 78 -18.937 -6.166 -30.646 1.00 0.00 C ATOM 1164 C MET A 78 -19.588 -7.508 -30.965 1.00 0.00 C ATOM 1165 O MET A 78 -19.422 -8.046 -32.059 1.00 0.00 O ATOM 1166 CB MET A 78 -17.972 -6.320 -29.468 1.00 0.00 C ATOM 1167 CG MET A 78 -17.174 -7.613 -29.502 1.00 0.00 C ATOM 1168 SD MET A 78 -16.220 -7.880 -27.996 1.00 0.00 S ATOM 1169 CE MET A 78 -14.748 -6.923 -28.353 1.00 0.00 C ATOM 0 H MET A 78 -19.865 -4.743 -29.416 1.00 0.00 H new ATOM 0 HA MET A 78 -18.379 -5.836 -31.522 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.282 -5.477 -29.462 1.00 0.00 H new ATOM 0 HB3 MET A 78 -18.538 -6.276 -28.537 1.00 0.00 H new ATOM 0 HG2 MET A 78 -17.854 -8.452 -29.650 1.00 0.00 H new ATOM 0 HG3 MET A 78 -16.498 -7.596 -30.357 1.00 0.00 H new ATOM 0 HE1 MET A 78 -14.140 -6.842 -27.452 1.00 0.00 H new ATOM 0 HE2 MET A 78 -14.173 -7.418 -29.136 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.035 -5.926 -28.689 1.00 0.00 H new ATOM 1179 N LYS A 79 -20.329 -8.044 -30.001 1.00 0.00 N ATOM 1180 CA LYS A 79 -21.006 -9.323 -30.178 1.00 0.00 C ATOM 1181 C LYS A 79 -21.644 -9.414 -31.561 1.00 0.00 C ATOM 1182 O LYS A 79 -21.822 -10.506 -32.102 1.00 0.00 O ATOM 1183 CB LYS A 79 -22.075 -9.512 -29.099 1.00 0.00 C ATOM 1184 CG LYS A 79 -21.506 -9.658 -27.698 1.00 0.00 C ATOM 1185 CD LYS A 79 -22.569 -10.103 -26.708 1.00 0.00 C ATOM 1186 CE LYS A 79 -23.409 -8.931 -26.227 1.00 0.00 C ATOM 1187 NZ LYS A 79 -24.468 -9.361 -25.272 1.00 0.00 N ATOM 0 H LYS A 79 -20.476 -7.612 -29.089 1.00 0.00 H new ATOM 0 HA LYS A 79 -20.262 -10.115 -30.087 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.754 -8.660 -29.119 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -22.666 -10.397 -29.336 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.692 -10.382 -27.709 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -21.082 -8.707 -27.375 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -23.214 -10.847 -27.176 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -22.093 -10.585 -25.854 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -22.764 -8.195 -25.747 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -23.870 -8.439 -27.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -25.018 -8.533 -24.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -25.099 -10.044 -25.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -24.027 -9.807 -24.442 1.00 0.00 H new ATOM 1201 N TYR A 80 -21.983 -8.262 -32.128 1.00 0.00 N ATOM 1202 CA TYR A 80 -22.601 -8.212 -33.448 1.00 0.00 C ATOM 1203 C TYR A 80 -21.549 -8.328 -34.547 1.00 0.00 C ATOM 1204 O TYR A 80 -21.769 -8.982 -35.566 1.00 0.00 O ATOM 1205 CB TYR A 80 -23.389 -6.913 -33.616 1.00 0.00 C ATOM 1206 CG TYR A 80 -24.305 -6.911 -34.819 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -23.792 -6.811 -36.107 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -25.683 -7.010 -34.669 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -24.625 -6.809 -37.209 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -26.523 -7.010 -35.765 1.00 0.00 C ATOM 1211 CZ TYR A 80 -25.989 -6.909 -37.033 1.00 0.00 C ATOM 1212 OH TYR A 80 -26.822 -6.908 -38.129 1.00 0.00 O ATOM 0 H TYR A 80 -21.840 -7.350 -31.694 1.00 0.00 H new ATOM 0 HA TYR A 80 -23.284 -9.057 -33.534 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -23.982 -6.739 -32.718 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -22.689 -6.082 -33.702 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.724 -6.734 -36.249 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.104 -7.088 -33.678 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.210 -6.730 -38.203 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.592 -7.089 -35.630 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.753 -6.987 -37.833 1.00 0.00 H new ATOM 1222 N HIS A 81 -20.404 -7.687 -34.331 1.00 0.00 N ATOM 1223 CA HIS A 81 -19.316 -7.718 -35.302 1.00 0.00 C ATOM 1224 C HIS A 81 -18.996 -9.152 -35.714 1.00 0.00 C ATOM 1225 O HIS A 81 -18.633 -9.413 -36.861 1.00 0.00 O ATOM 1226 CB HIS A 81 -18.068 -7.051 -34.722 1.00 0.00 C ATOM 1227 CG HIS A 81 -17.154 -8.003 -34.015 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -16.863 -7.909 -32.670 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -16.465 -9.075 -34.473 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -16.034 -8.880 -32.332 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -15.777 -9.602 -33.408 1.00 0.00 N ATOM 0 H HIS A 81 -20.206 -7.140 -33.493 1.00 0.00 H new ATOM 0 HA HIS A 81 -19.635 -7.167 -36.187 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -17.519 -6.564 -35.528 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -18.374 -6.269 -34.026 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -16.458 -9.446 -35.487 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -15.634 -9.054 -31.344 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -15.167 -10.418 -33.442 1.00 0.00 H new ATOM 1239 N VAL A 82 -19.132 -10.078 -34.770 1.00 0.00 N ATOM 1240 CA VAL A 82 -18.858 -11.486 -35.034 1.00 0.00 C ATOM 1241 C VAL A 82 -19.907 -12.085 -35.963 1.00 0.00 C ATOM 1242 O VAL A 82 -19.578 -12.800 -36.909 1.00 0.00 O ATOM 1243 CB VAL A 82 -18.815 -12.304 -33.730 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -18.634 -13.783 -34.034 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -17.705 -11.798 -32.821 1.00 0.00 C ATOM 0 H VAL A 82 -19.430 -9.878 -33.815 1.00 0.00 H new ATOM 0 HA VAL A 82 -17.881 -11.533 -35.515 1.00 0.00 H new ATOM 0 HB VAL A 82 -19.765 -12.178 -33.210 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.606 -14.345 -33.101 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.466 -14.134 -34.644 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -17.700 -13.931 -34.575 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -17.689 -12.387 -31.904 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -16.746 -11.893 -33.330 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -17.884 -10.751 -32.576 1.00 0.00 H new ATOM 1255 N MET A 83 -21.173 -11.788 -35.686 1.00 0.00 N ATOM 1256 CA MET A 83 -22.272 -12.297 -36.499 1.00 0.00 C ATOM 1257 C MET A 83 -22.078 -11.929 -37.967 1.00 0.00 C ATOM 1258 O MET A 83 -22.677 -12.537 -38.853 1.00 0.00 O ATOM 1259 CB MET A 83 -23.606 -11.744 -35.994 1.00 0.00 C ATOM 1260 CG MET A 83 -24.272 -12.623 -34.948 1.00 0.00 C ATOM 1261 SD MET A 83 -25.760 -11.876 -34.257 1.00 0.00 S ATOM 1262 CE MET A 83 -25.048 -10.761 -33.049 1.00 0.00 C ATOM 0 H MET A 83 -21.463 -11.198 -34.906 1.00 0.00 H new ATOM 0 HA MET A 83 -22.282 -13.384 -36.414 1.00 0.00 H new ATOM 0 HB2 MET A 83 -23.442 -10.752 -35.572 1.00 0.00 H new ATOM 0 HB3 MET A 83 -24.283 -11.623 -36.840 1.00 0.00 H new ATOM 0 HG2 MET A 83 -24.527 -13.584 -35.396 1.00 0.00 H new ATOM 0 HG3 MET A 83 -23.564 -12.824 -34.144 1.00 0.00 H new ATOM 0 HE1 MET A 83 -25.529 -10.915 -32.083 1.00 0.00 H new ATOM 0 HE2 MET A 83 -23.980 -10.958 -32.958 1.00 0.00 H new ATOM 0 HE3 MET A 83 -25.201 -9.731 -33.370 1.00 0.00 H new ATOM 1272 N ALA A 84 -21.239 -10.929 -38.216 1.00 0.00 N ATOM 1273 CA ALA A 84 -20.966 -10.482 -39.576 1.00 0.00 C ATOM 1274 C ALA A 84 -19.569 -10.901 -40.022 1.00 0.00 C ATOM 1275 O ALA A 84 -19.416 -11.732 -40.916 1.00 0.00 O ATOM 1276 CB ALA A 84 -21.123 -8.972 -39.677 1.00 0.00 C ATOM 0 H ALA A 84 -20.737 -10.413 -37.494 1.00 0.00 H new ATOM 0 HA ALA A 84 -21.689 -10.957 -40.240 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -20.916 -8.652 -40.698 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -22.142 -8.693 -39.409 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -20.423 -8.487 -38.996 1.00 0.00 H new ATOM 1282 N ASN A 85 -18.553 -10.319 -39.392 1.00 0.00 N ATOM 1283 CA ASN A 85 -17.168 -10.632 -39.726 1.00 0.00 C ATOM 1284 C ASN A 85 -16.919 -12.136 -39.661 1.00 0.00 C ATOM 1285 O ASN A 85 -16.043 -12.661 -40.349 1.00 0.00 O ATOM 1286 CB ASN A 85 -16.216 -9.905 -38.774 1.00 0.00 C ATOM 1287 CG ASN A 85 -15.917 -8.488 -39.225 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -14.797 -8.177 -39.630 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -16.921 -7.622 -39.156 1.00 0.00 N ATOM 0 H ASN A 85 -18.663 -9.629 -38.649 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.981 -10.294 -40.745 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.653 -9.881 -37.776 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.283 -10.464 -38.700 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.780 -6.654 -39.445 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.833 -7.925 -38.814 1.00 0.00 H new ATOM 1296 N HIS A 86 -17.696 -12.824 -38.831 1.00 0.00 N ATOM 1297 CA HIS A 86 -17.561 -14.268 -38.677 1.00 0.00 C ATOM 1298 C HIS A 86 -18.928 -14.947 -38.703 1.00 0.00 C ATOM 1299 O HIS A 86 -19.945 -14.306 -38.961 1.00 0.00 O ATOM 1300 CB HIS A 86 -16.840 -14.598 -37.370 1.00 0.00 C ATOM 1301 CG HIS A 86 -15.736 -13.641 -37.037 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -14.634 -13.454 -37.844 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -15.571 -12.815 -35.978 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -13.837 -12.555 -37.295 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -14.383 -12.151 -36.162 1.00 0.00 N ATOM 0 H HIS A 86 -18.426 -12.405 -38.255 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.971 -14.644 -39.513 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.565 -14.602 -36.556 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.429 -15.605 -37.436 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -16.247 -12.699 -35.144 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.899 -12.209 -37.703 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.987 -11.458 -35.527 1.00 0.00 H new