USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 990 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: B 59 CYS SG : rot 91:sc= -1.88! USER MOD Set 1.2: B 78 CYS SG : rot -180:sc= -3.47! USER MOD Set 2.1: A 56 CYS SG : rot -130:sc= 1.19 USER MOD Set 2.2: A 59 CYS SG : rot -13:sc= -0.387! USER MOD Set 2.3: A 78 CYS SG : rot -79:sc= -0.51 USER MOD Single : A 18 TYR OH : rot 180:sc=-0.00816 USER MOD Single : A 20 GLN : amide:sc= 1.04 K(o=1,f=-0.074) USER MOD Single : A 22 MET CE :methyl -124:sc= 0 (180deg=-2.79) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00794 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 2.33 (180deg=2.17) USER MOD Single : A 35 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ -132:sc= 0.024 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 78:sc= -0.135 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.641 K(o=-0.64,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= -3.23! K(o=-3.2!,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ -115:sc= 0.274 (180deg=-3.41!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0.189 K(o=0.19,f=-3.2!) USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= -0.0659 (180deg=-0.372) USER MOD Single : A 85 GLN : amide:sc= -0.898 K(o=-0.9,f=0) USER MOD Single : A 88 SER OG : rot 68:sc= 1.3 USER MOD Single : A 89 SER OG : rot -1:sc= 0.2 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.435 K(o=-0.44,f=-1.4) USER MOD Single : B 22 MET CE :methyl -117:sc= -1.01 (180deg=-4.5!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0493 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -142:sc= 0.887 (180deg=0.682) USER MOD Single : B 35 THR OG1 : rot 69:sc= 1.2 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot -129:sc= -1.04 USER MOD Single : B 46 SER OG : rot 180:sc= 0.0431 USER MOD Single : B 53 HIS : no HD1:sc= -0.0025 X(o=-0.0025,f=-0.3) USER MOD Single : B 54 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.4) USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 CYS SG : rot 90:sc= -0.863 USER MOD Single : B 57 LYS NZ :NH3+ 140:sc= 1.18 (180deg=0.692) USER MOD Single : B 62 SER OG : rot -114:sc= 0.482 USER MOD Single : B 67 GLN : amide:sc= -0.91 K(o=-0.91,f=-0.092) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.12) USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc=-0.00302 X(o=-0.003,f=0) USER MOD Single : B 88 SER OG : rot 79:sc= 1.22 USER MOD Single : B 89 SER OG : rot 170:sc= 0.997 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 7.633 -5.548 15.254 1.00 0.00 N ATOM 240 CA LEU A 17 7.086 -6.273 14.113 1.00 0.00 C ATOM 241 C LEU A 17 5.676 -5.821 13.772 1.00 0.00 C ATOM 242 O LEU A 17 5.294 -5.778 12.604 1.00 0.00 O ATOM 243 CB LEU A 17 7.088 -7.788 14.367 1.00 0.00 C ATOM 244 CG LEU A 17 8.450 -8.488 14.261 1.00 0.00 C ATOM 245 CD1 LEU A 17 9.358 -8.109 15.418 1.00 0.00 C ATOM 246 CD2 LEU A 17 8.268 -9.996 14.206 1.00 0.00 C ATOM 0 HA LEU A 17 7.733 -6.048 13.265 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.685 -7.969 15.364 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.405 -8.256 13.658 1.00 0.00 H new ATOM 0 HG LEU A 17 8.925 -8.155 13.338 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.314 -8.622 15.313 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.522 -7.031 15.414 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.891 -8.402 16.358 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.243 -10.478 14.131 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.765 -10.335 15.111 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.666 -10.258 13.336 1.00 0.00 H new ATOM 258 N TYR A 18 4.903 -5.482 14.787 1.00 0.00 N ATOM 259 CA TYR A 18 3.512 -5.120 14.568 1.00 0.00 C ATOM 260 C TYR A 18 3.141 -3.873 15.362 1.00 0.00 C ATOM 261 O TYR A 18 3.932 -3.378 16.169 1.00 0.00 O ATOM 262 CB TYR A 18 2.585 -6.290 14.916 1.00 0.00 C ATOM 263 CG TYR A 18 1.319 -6.311 14.086 1.00 0.00 C ATOM 264 CD1 TYR A 18 1.372 -6.578 12.724 1.00 0.00 C ATOM 265 CD2 TYR A 18 0.080 -6.062 14.656 1.00 0.00 C ATOM 266 CE1 TYR A 18 0.225 -6.595 11.952 1.00 0.00 C ATOM 267 CE2 TYR A 18 -1.072 -6.077 13.892 1.00 0.00 C ATOM 268 CZ TYR A 18 -0.995 -6.345 12.542 1.00 0.00 C ATOM 269 OH TYR A 18 -2.141 -6.357 11.778 1.00 0.00 O ATOM 0 H TYR A 18 5.208 -5.449 15.760 1.00 0.00 H new ATOM 0 HA TYR A 18 3.384 -4.891 13.510 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.123 -7.227 14.772 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.319 -6.234 15.972 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.327 -6.776 12.259 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.014 -5.853 15.714 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.285 -6.803 10.894 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.029 -5.879 14.351 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.915 -6.163 12.347 1.00 0.00 H new ATOM 279 N PHE A 19 1.932 -3.375 15.122 1.00 0.00 N ATOM 280 CA PHE A 19 1.474 -2.111 15.688 1.00 0.00 C ATOM 281 C PHE A 19 1.104 -2.260 17.160 1.00 0.00 C ATOM 282 O PHE A 19 -0.050 -2.082 17.546 1.00 0.00 O ATOM 283 CB PHE A 19 0.276 -1.588 14.886 1.00 0.00 C ATOM 284 CG PHE A 19 0.575 -1.404 13.424 1.00 0.00 C ATOM 285 CD1 PHE A 19 0.498 -2.477 12.548 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.928 -0.162 12.928 1.00 0.00 C ATOM 287 CE1 PHE A 19 0.773 -2.312 11.205 1.00 0.00 C ATOM 288 CE2 PHE A 19 1.205 0.010 11.587 1.00 0.00 C ATOM 289 CZ PHE A 19 1.124 -1.066 10.724 1.00 0.00 C ATOM 0 H PHE A 19 1.242 -3.837 14.529 1.00 0.00 H new ATOM 0 HA PHE A 19 2.292 -1.393 15.626 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.557 -2.283 14.995 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.046 -0.636 15.307 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.220 -3.452 12.921 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.988 0.683 13.598 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.714 -3.155 10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.485 0.984 11.213 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.335 -0.933 9.673 1.00 0.00 H new ATOM 299 N GLN A 20 2.093 -2.618 17.964 1.00 0.00 N ATOM 300 CA GLN A 20 1.931 -2.741 19.405 1.00 0.00 C ATOM 301 C GLN A 20 3.025 -1.959 20.115 1.00 0.00 C ATOM 302 O GLN A 20 2.796 -1.347 21.158 1.00 0.00 O ATOM 303 CB GLN A 20 1.984 -4.213 19.825 1.00 0.00 C ATOM 304 CG GLN A 20 0.824 -5.042 19.299 1.00 0.00 C ATOM 305 CD GLN A 20 -0.494 -4.693 19.960 1.00 0.00 C ATOM 306 OE1 GLN A 20 -0.865 -5.281 20.973 1.00 0.00 O ATOM 307 NE2 GLN A 20 -1.211 -3.731 19.404 1.00 0.00 N ATOM 0 H GLN A 20 3.034 -2.832 17.635 1.00 0.00 H new ATOM 0 HA GLN A 20 0.959 -2.334 19.685 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.919 -4.648 19.473 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.996 -4.271 20.913 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.736 -4.894 18.223 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.037 -6.099 19.459 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.872 -3.264 18.563 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.103 -3.456 19.816 1.00 0.00 H new ATOM 316 N GLY A 21 4.217 -1.987 19.531 1.00 0.00 N ATOM 317 CA GLY A 21 5.341 -1.255 20.076 1.00 0.00 C ATOM 318 C GLY A 21 6.300 -0.824 18.987 1.00 0.00 C ATOM 319 O GLY A 21 7.514 -0.982 19.116 1.00 0.00 O ATOM 0 H GLY A 21 4.425 -2.510 18.680 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.980 -0.378 20.613 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.866 -1.878 20.800 1.00 0.00 H new ATOM 323 N MET A 22 5.750 -0.293 17.901 1.00 0.00 N ATOM 324 CA MET A 22 6.557 0.127 16.760 1.00 0.00 C ATOM 325 C MET A 22 7.355 1.369 17.082 1.00 0.00 C ATOM 326 O MET A 22 7.029 2.111 18.008 1.00 0.00 O ATOM 327 CB MET A 22 5.681 0.350 15.527 1.00 0.00 C ATOM 328 CG MET A 22 5.387 -0.928 14.763 1.00 0.00 C ATOM 329 SD MET A 22 4.260 -0.668 13.382 1.00 0.00 S ATOM 330 CE MET A 22 4.384 -2.246 12.542 1.00 0.00 C ATOM 0 H MET A 22 4.748 -0.143 17.786 1.00 0.00 H new ATOM 0 HA MET A 22 7.262 -0.674 16.538 1.00 0.00 H new ATOM 0 HB2 MET A 22 4.740 0.806 15.835 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.175 1.058 14.862 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.322 -1.347 14.390 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.958 -1.663 15.444 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.680 -2.084 11.505 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.130 -2.866 13.040 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.418 -2.750 12.569 1.00 0.00 H new ATOM 340 N THR A 23 8.421 1.578 16.327 1.00 0.00 N ATOM 341 CA THR A 23 9.361 2.626 16.648 1.00 0.00 C ATOM 342 C THR A 23 9.957 3.285 15.398 1.00 0.00 C ATOM 343 O THR A 23 10.004 4.512 15.309 1.00 0.00 O ATOM 344 CB THR A 23 10.495 2.062 17.524 1.00 0.00 C ATOM 345 OG1 THR A 23 9.950 1.378 18.663 1.00 0.00 O ATOM 346 CG2 THR A 23 11.414 3.166 18.001 1.00 0.00 C ATOM 0 H THR A 23 8.652 1.037 15.494 1.00 0.00 H new ATOM 0 HA THR A 23 8.811 3.394 17.192 1.00 0.00 H new ATOM 0 HB THR A 23 11.069 1.363 16.915 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.680 1.023 19.211 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.205 2.740 18.617 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.855 3.669 17.141 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.844 3.885 18.589 1.00 0.00 H new ATOM 354 N ASP A 24 10.410 2.481 14.433 1.00 0.00 N ATOM 355 CA ASP A 24 11.145 3.030 13.290 1.00 0.00 C ATOM 356 C ASP A 24 10.994 2.196 12.010 1.00 0.00 C ATOM 357 O ASP A 24 10.492 2.694 10.998 1.00 0.00 O ATOM 358 CB ASP A 24 12.625 3.163 13.658 1.00 0.00 C ATOM 359 CG ASP A 24 13.520 3.320 12.448 1.00 0.00 C ATOM 360 OD1 ASP A 24 13.637 4.448 11.921 1.00 0.00 O ATOM 361 OD2 ASP A 24 14.108 2.309 12.023 1.00 0.00 O ATOM 0 H ASP A 24 10.285 1.469 14.418 1.00 0.00 H new ATOM 0 HA ASP A 24 10.714 4.007 13.071 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.755 4.023 14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.935 2.283 14.221 1.00 0.00 H new ATOM 366 N THR A 25 11.417 0.933 12.055 1.00 0.00 N ATOM 367 CA THR A 25 11.509 0.099 10.849 1.00 0.00 C ATOM 368 C THR A 25 10.144 -0.138 10.192 1.00 0.00 C ATOM 369 O THR A 25 10.068 -0.565 9.042 1.00 0.00 O ATOM 370 CB THR A 25 12.164 -1.259 11.167 1.00 0.00 C ATOM 371 OG1 THR A 25 13.247 -1.067 12.088 1.00 0.00 O ATOM 372 CG2 THR A 25 12.701 -1.914 9.901 1.00 0.00 C ATOM 0 H THR A 25 11.703 0.461 12.913 1.00 0.00 H new ATOM 0 HA THR A 25 12.131 0.651 10.144 1.00 0.00 H new ATOM 0 HB THR A 25 11.407 -1.908 11.606 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.661 -1.932 12.291 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.158 -2.871 10.152 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.882 -2.076 9.200 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.447 -1.264 9.444 1.00 0.00 H new ATOM 380 N ALA A 26 9.074 0.162 10.917 1.00 0.00 N ATOM 381 CA ALA A 26 7.721 0.004 10.393 1.00 0.00 C ATOM 382 C ALA A 26 7.523 0.794 9.100 1.00 0.00 C ATOM 383 O ALA A 26 6.822 0.349 8.191 1.00 0.00 O ATOM 384 CB ALA A 26 6.711 0.450 11.436 1.00 0.00 C ATOM 0 H ALA A 26 9.116 0.517 11.872 1.00 0.00 H new ATOM 0 HA ALA A 26 7.569 -1.051 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.702 0.330 11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.823 -0.157 12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.882 1.498 11.683 1.00 0.00 H new ATOM 390 N ALA A 27 8.161 1.956 9.017 1.00 0.00 N ATOM 391 CA ALA A 27 8.016 2.829 7.857 1.00 0.00 C ATOM 392 C ALA A 27 8.525 2.158 6.589 1.00 0.00 C ATOM 393 O ALA A 27 8.030 2.426 5.495 1.00 0.00 O ATOM 394 CB ALA A 27 8.753 4.138 8.088 1.00 0.00 C ATOM 0 H ALA A 27 8.784 2.316 9.740 1.00 0.00 H new ATOM 0 HA ALA A 27 6.954 3.035 7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.637 4.780 7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.340 4.638 8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.812 3.936 8.251 1.00 0.00 H new ATOM 400 N GLU A 28 9.494 1.262 6.754 1.00 0.00 N ATOM 401 CA GLU A 28 10.168 0.620 5.633 1.00 0.00 C ATOM 402 C GLU A 28 9.182 -0.213 4.807 1.00 0.00 C ATOM 403 O GLU A 28 9.158 -0.119 3.577 1.00 0.00 O ATOM 404 CB GLU A 28 11.316 -0.247 6.173 1.00 0.00 C ATOM 405 CG GLU A 28 12.439 -0.526 5.181 1.00 0.00 C ATOM 406 CD GLU A 28 12.056 -1.493 4.081 1.00 0.00 C ATOM 407 OE1 GLU A 28 11.811 -2.682 4.382 1.00 0.00 O ATOM 408 OE2 GLU A 28 12.033 -1.077 2.905 1.00 0.00 O ATOM 0 H GLU A 28 9.833 0.962 7.668 1.00 0.00 H new ATOM 0 HA GLU A 28 10.578 1.381 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.740 0.244 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.904 -1.199 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.756 0.415 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.297 -0.926 5.721 1.00 0.00 H new ATOM 415 N ASP A 29 8.352 -1.000 5.482 1.00 0.00 N ATOM 416 CA ASP A 29 7.399 -1.867 4.790 1.00 0.00 C ATOM 417 C ASP A 29 6.115 -1.127 4.424 1.00 0.00 C ATOM 418 O ASP A 29 5.484 -1.440 3.411 1.00 0.00 O ATOM 419 CB ASP A 29 7.073 -3.111 5.620 1.00 0.00 C ATOM 420 CG ASP A 29 8.165 -4.160 5.533 1.00 0.00 C ATOM 421 OD1 ASP A 29 8.200 -4.907 4.533 1.00 0.00 O ATOM 422 OD2 ASP A 29 9.003 -4.235 6.451 1.00 0.00 O ATOM 0 H ASP A 29 8.317 -1.058 6.500 1.00 0.00 H new ATOM 0 HA ASP A 29 7.879 -2.183 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.930 -2.823 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.132 -3.539 5.275 1.00 0.00 H new ATOM 427 N VAL A 30 5.726 -0.148 5.234 1.00 0.00 N ATOM 428 CA VAL A 30 4.522 0.633 4.951 1.00 0.00 C ATOM 429 C VAL A 30 4.658 1.384 3.625 1.00 0.00 C ATOM 430 O VAL A 30 3.766 1.332 2.775 1.00 0.00 O ATOM 431 CB VAL A 30 4.198 1.629 6.086 1.00 0.00 C ATOM 432 CG1 VAL A 30 3.030 2.531 5.701 1.00 0.00 C ATOM 433 CG2 VAL A 30 3.883 0.884 7.374 1.00 0.00 C ATOM 0 H VAL A 30 6.220 0.124 6.084 1.00 0.00 H new ATOM 0 HA VAL A 30 3.696 -0.075 4.878 1.00 0.00 H new ATOM 0 HB VAL A 30 5.076 2.254 6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.821 3.223 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.286 3.094 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.148 1.921 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.657 1.601 8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.022 0.234 7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.744 0.282 7.666 1.00 0.00 H new ATOM 443 N ARG A 31 5.782 2.066 3.437 1.00 0.00 N ATOM 444 CA ARG A 31 6.032 2.773 2.186 1.00 0.00 C ATOM 445 C ARG A 31 6.196 1.777 1.042 1.00 0.00 C ATOM 446 O ARG A 31 5.877 2.074 -0.107 1.00 0.00 O ATOM 447 CB ARG A 31 7.264 3.688 2.306 1.00 0.00 C ATOM 448 CG ARG A 31 8.577 2.969 2.601 1.00 0.00 C ATOM 449 CD ARG A 31 9.250 2.455 1.337 1.00 0.00 C ATOM 450 NE ARG A 31 10.419 1.635 1.634 1.00 0.00 N ATOM 451 CZ ARG A 31 11.609 1.800 1.058 1.00 0.00 C ATOM 452 NH1 ARG A 31 11.769 2.719 0.109 1.00 0.00 N ATOM 453 NH2 ARG A 31 12.625 1.028 1.411 1.00 0.00 N ATOM 0 H ARG A 31 6.529 2.144 4.128 1.00 0.00 H new ATOM 0 HA ARG A 31 5.172 3.407 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.374 4.247 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.081 4.416 3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.253 3.649 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.388 2.133 3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.535 1.870 0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.548 3.300 0.716 1.00 0.00 H new ATOM 0 HE ARG A 31 10.320 0.891 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.980 3.298 -0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.681 2.844 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.496 0.309 2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.537 1.153 0.971 1.00 0.00 H new ATOM 467 N LYS A 32 6.688 0.591 1.383 1.00 0.00 N ATOM 468 CA LYS A 32 6.970 -0.458 0.411 1.00 0.00 C ATOM 469 C LYS A 32 5.707 -0.855 -0.346 1.00 0.00 C ATOM 470 O LYS A 32 5.686 -0.865 -1.578 1.00 0.00 O ATOM 471 CB LYS A 32 7.561 -1.668 1.139 1.00 0.00 C ATOM 472 CG LYS A 32 8.056 -2.788 0.236 1.00 0.00 C ATOM 473 CD LYS A 32 8.661 -3.914 1.062 1.00 0.00 C ATOM 474 CE LYS A 32 9.801 -3.405 1.935 1.00 0.00 C ATOM 475 NZ LYS A 32 10.238 -4.406 2.944 1.00 0.00 N ATOM 0 H LYS A 32 6.903 0.330 2.345 1.00 0.00 H new ATOM 0 HA LYS A 32 7.688 -0.084 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.391 -1.329 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.805 -2.072 1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.230 -3.172 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.800 -2.400 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.891 -4.362 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.029 -4.698 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.648 -3.139 1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.485 -2.495 2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.837 -3.942 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.404 -4.818 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.779 -5.159 2.474 1.00 0.00 H new ATOM 489 N ILE A 33 4.649 -1.165 0.392 1.00 0.00 N ATOM 490 CA ILE A 33 3.394 -1.577 -0.228 1.00 0.00 C ATOM 491 C ILE A 33 2.692 -0.395 -0.892 1.00 0.00 C ATOM 492 O ILE A 33 2.052 -0.545 -1.935 1.00 0.00 O ATOM 493 CB ILE A 33 2.441 -2.251 0.786 1.00 0.00 C ATOM 494 CG1 ILE A 33 2.155 -1.321 1.971 1.00 0.00 C ATOM 495 CG2 ILE A 33 3.039 -3.563 1.267 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.159 -1.884 2.966 1.00 0.00 C ATOM 0 H ILE A 33 4.633 -1.140 1.412 1.00 0.00 H new ATOM 0 HA ILE A 33 3.650 -2.311 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 33 1.494 -2.457 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.091 -1.109 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.778 -0.371 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.362 -4.032 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.187 -4.229 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.998 -3.371 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.009 -1.169 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.209 -2.069 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.542 -2.819 3.375 1.00 0.00 H new ATOM 508 N ALA A 34 2.840 0.784 -0.300 1.00 0.00 N ATOM 509 CA ALA A 34 2.226 1.992 -0.835 1.00 0.00 C ATOM 510 C ALA A 34 2.824 2.357 -2.191 1.00 0.00 C ATOM 511 O ALA A 34 2.114 2.794 -3.094 1.00 0.00 O ATOM 512 CB ALA A 34 2.389 3.145 0.144 1.00 0.00 C ATOM 0 H ALA A 34 3.381 0.929 0.552 1.00 0.00 H new ATOM 0 HA ALA A 34 1.163 1.798 -0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.926 4.041 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.909 2.891 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.450 3.331 0.314 1.00 0.00 H new ATOM 518 N THR A 35 4.130 2.157 -2.332 1.00 0.00 N ATOM 519 CA THR A 35 4.821 2.470 -3.576 1.00 0.00 C ATOM 520 C THR A 35 4.318 1.581 -4.718 1.00 0.00 C ATOM 521 O THR A 35 4.170 2.035 -5.852 1.00 0.00 O ATOM 522 CB THR A 35 6.353 2.306 -3.430 1.00 0.00 C ATOM 523 OG1 THR A 35 6.828 3.098 -2.330 1.00 0.00 O ATOM 524 CG2 THR A 35 7.080 2.723 -4.703 1.00 0.00 C ATOM 0 H THR A 35 4.731 1.779 -1.599 1.00 0.00 H new ATOM 0 HA THR A 35 4.604 3.512 -3.811 1.00 0.00 H new ATOM 0 HB THR A 35 6.559 1.252 -3.245 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.482 2.732 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.154 2.596 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.743 2.103 -5.534 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.863 3.769 -4.920 1.00 0.00 H new ATOM 532 N ALA A 36 4.024 0.320 -4.401 1.00 0.00 N ATOM 533 CA ALA A 36 3.567 -0.639 -5.404 1.00 0.00 C ATOM 534 C ALA A 36 2.240 -0.212 -6.018 1.00 0.00 C ATOM 535 O ALA A 36 2.083 -0.206 -7.242 1.00 0.00 O ATOM 536 CB ALA A 36 3.440 -2.021 -4.788 1.00 0.00 C ATOM 0 H ALA A 36 4.095 -0.060 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 36 4.310 -0.670 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.099 -2.727 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.410 -2.340 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.720 -1.990 -3.970 1.00 0.00 H new ATOM 542 N LEU A 37 1.290 0.156 -5.169 1.00 0.00 N ATOM 543 CA LEU A 37 -0.015 0.581 -5.641 1.00 0.00 C ATOM 544 C LEU A 37 0.076 1.961 -6.280 1.00 0.00 C ATOM 545 O LEU A 37 -0.671 2.277 -7.202 1.00 0.00 O ATOM 546 CB LEU A 37 -1.036 0.560 -4.491 1.00 0.00 C ATOM 547 CG LEU A 37 -0.751 1.488 -3.304 1.00 0.00 C ATOM 548 CD1 LEU A 37 -1.357 2.867 -3.528 1.00 0.00 C ATOM 549 CD2 LEU A 37 -1.279 0.879 -2.014 1.00 0.00 C ATOM 0 H LEU A 37 1.400 0.168 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.359 -0.118 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.014 0.818 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.106 -0.461 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 37 0.329 1.604 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.139 3.504 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.930 3.311 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.437 2.775 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.068 1.551 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.356 0.730 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.792 -0.080 -1.838 1.00 0.00 H new ATOM 561 N LEU A 38 1.021 2.763 -5.803 1.00 0.00 N ATOM 562 CA LEU A 38 1.201 4.124 -6.296 1.00 0.00 C ATOM 563 C LEU A 38 1.701 4.111 -7.738 1.00 0.00 C ATOM 564 O LEU A 38 1.371 4.993 -8.525 1.00 0.00 O ATOM 565 CB LEU A 38 2.191 4.880 -5.407 1.00 0.00 C ATOM 566 CG LEU A 38 1.917 6.376 -5.250 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.622 6.600 -4.485 1.00 0.00 C ATOM 568 CD2 LEU A 38 3.080 7.059 -4.546 1.00 0.00 C ATOM 0 H LEU A 38 1.678 2.492 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 38 0.237 4.631 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.190 4.421 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.193 4.752 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 38 1.811 6.815 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.441 7.670 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.205 6.143 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.701 6.148 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.868 8.123 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.217 6.619 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.989 6.925 -5.132 1.00 0.00 H new ATOM 580 N LYS A 39 2.499 3.102 -8.073 1.00 0.00 N ATOM 581 CA LYS A 39 3.032 2.960 -9.418 1.00 0.00 C ATOM 582 C LYS A 39 1.967 2.476 -10.392 1.00 0.00 C ATOM 583 O LYS A 39 1.973 2.847 -11.564 1.00 0.00 O ATOM 584 CB LYS A 39 4.190 1.963 -9.429 1.00 0.00 C ATOM 585 CG LYS A 39 5.467 2.473 -8.783 1.00 0.00 C ATOM 586 CD LYS A 39 6.597 1.461 -8.919 1.00 0.00 C ATOM 587 CE LYS A 39 6.892 1.157 -10.379 1.00 0.00 C ATOM 588 NZ LYS A 39 7.976 0.152 -10.545 1.00 0.00 N ATOM 0 H LYS A 39 2.790 2.369 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 39 3.380 3.944 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.876 1.055 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.405 1.687 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.761 3.414 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.286 2.680 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.495 1.848 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.328 0.541 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.985 0.791 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.174 2.078 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.663 0.495 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.456 0.005 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.568 -0.748 -10.870 1.00 0.00 H new ATOM 602 N THR A 40 1.064 1.641 -9.905 1.00 0.00 N ATOM 603 CA THR A 40 0.115 0.966 -10.778 1.00 0.00 C ATOM 604 C THR A 40 -1.212 1.721 -10.870 1.00 0.00 C ATOM 605 O THR A 40 -1.789 1.840 -11.951 1.00 0.00 O ATOM 606 CB THR A 40 -0.131 -0.478 -10.297 1.00 0.00 C ATOM 607 OG1 THR A 40 1.121 -1.086 -9.934 1.00 0.00 O ATOM 608 CG2 THR A 40 -0.793 -1.311 -11.387 1.00 0.00 C ATOM 0 H THR A 40 0.967 1.414 -8.915 1.00 0.00 H new ATOM 0 HA THR A 40 0.554 0.942 -11.775 1.00 0.00 H new ATOM 0 HB THR A 40 -0.795 -0.441 -9.433 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.395 -0.767 -9.049 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.955 -2.325 -11.022 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.750 -0.864 -11.655 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.148 -1.340 -12.265 1.00 0.00 H new ATOM 616 N ALA A 41 -1.679 2.253 -9.740 1.00 0.00 N ATOM 617 CA ALA A 41 -2.976 2.926 -9.686 1.00 0.00 C ATOM 618 C ALA A 41 -2.873 4.370 -10.154 1.00 0.00 C ATOM 619 O ALA A 41 -3.887 5.051 -10.316 1.00 0.00 O ATOM 620 CB ALA A 41 -3.555 2.869 -8.280 1.00 0.00 C ATOM 0 H ALA A 41 -1.179 2.231 -8.851 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.647 2.398 -10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.520 3.376 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.686 1.829 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.874 3.362 -7.586 1.00 0.00 H new ATOM 626 N ILE A 42 -1.648 4.838 -10.346 1.00 0.00 N ATOM 627 CA ILE A 42 -1.412 6.172 -10.866 1.00 0.00 C ATOM 628 C ILE A 42 -0.462 6.092 -12.051 1.00 0.00 C ATOM 629 O ILE A 42 0.758 6.170 -11.897 1.00 0.00 O ATOM 630 CB ILE A 42 -0.818 7.121 -9.805 1.00 0.00 C ATOM 631 CG1 ILE A 42 -1.671 7.114 -8.532 1.00 0.00 C ATOM 632 CG2 ILE A 42 -0.704 8.535 -10.363 1.00 0.00 C ATOM 633 CD1 ILE A 42 -1.123 7.991 -7.427 1.00 0.00 C ATOM 0 H ILE A 42 -0.799 4.308 -10.147 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.377 6.578 -11.170 1.00 0.00 H new ATOM 0 HB ILE A 42 0.180 6.767 -9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.680 7.445 -8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.752 6.091 -8.165 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.283 9.193 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.054 8.529 -11.238 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.693 8.895 -10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.780 7.935 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.126 7.648 -7.151 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.068 9.023 -7.775 1.00 0.00 H new ATOM 645 N GLU A 43 -1.029 5.888 -13.225 1.00 0.00 N ATOM 646 CA GLU A 43 -0.248 5.798 -14.448 1.00 0.00 C ATOM 647 C GLU A 43 -0.980 6.468 -15.598 1.00 0.00 C ATOM 648 O GLU A 43 -2.214 6.504 -15.641 1.00 0.00 O ATOM 649 CB GLU A 43 0.064 4.334 -14.801 1.00 0.00 C ATOM 650 CG GLU A 43 0.691 4.163 -16.179 1.00 0.00 C ATOM 651 CD GLU A 43 1.235 2.774 -16.424 1.00 0.00 C ATOM 652 OE1 GLU A 43 0.479 1.795 -16.288 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.426 2.660 -16.787 1.00 0.00 O ATOM 0 H GLU A 43 -2.034 5.781 -13.360 1.00 0.00 H new ATOM 0 HA GLU A 43 0.696 6.317 -14.280 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.738 3.923 -14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.857 3.753 -14.755 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.055 4.392 -16.940 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.498 4.887 -16.295 1.00 0.00 H new ATOM 660 N ILE A 44 -0.207 7.022 -16.513 1.00 0.00 N ATOM 661 CA ILE A 44 -0.740 7.631 -17.707 1.00 0.00 C ATOM 662 C ILE A 44 -1.018 6.582 -18.778 1.00 0.00 C ATOM 663 O ILE A 44 -0.129 5.822 -19.169 1.00 0.00 O ATOM 664 CB ILE A 44 0.234 8.686 -18.279 1.00 0.00 C ATOM 665 CG1 ILE A 44 1.638 8.090 -18.470 1.00 0.00 C ATOM 666 CG2 ILE A 44 0.292 9.905 -17.374 1.00 0.00 C ATOM 667 CD1 ILE A 44 2.634 9.047 -19.093 1.00 0.00 C ATOM 0 H ILE A 44 0.810 7.060 -16.445 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.674 8.119 -17.427 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.139 8.997 -19.255 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.019 7.765 -17.502 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.562 7.202 -19.097 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.983 10.637 -17.793 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.701 10.347 -17.295 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.636 9.607 -16.384 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.600 8.552 -19.194 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.278 9.353 -20.077 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.742 9.925 -18.457 1.00 0.00 H new ATOM 679 N VAL A 45 -2.259 6.524 -19.237 1.00 0.00 N ATOM 680 CA VAL A 45 -2.597 5.706 -20.387 1.00 0.00 C ATOM 681 C VAL A 45 -2.440 6.548 -21.646 1.00 0.00 C ATOM 682 O VAL A 45 -3.154 7.534 -21.849 1.00 0.00 O ATOM 683 CB VAL A 45 -4.023 5.104 -20.296 1.00 0.00 C ATOM 684 CG1 VAL A 45 -4.097 4.088 -19.168 1.00 0.00 C ATOM 685 CG2 VAL A 45 -5.076 6.187 -20.098 1.00 0.00 C ATOM 0 H VAL A 45 -3.045 7.032 -18.831 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.916 4.856 -20.415 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.232 4.603 -21.241 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.104 3.674 -19.117 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.384 3.285 -19.354 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.856 4.575 -18.223 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.063 5.728 -20.039 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.872 6.729 -19.175 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.048 6.880 -20.939 1.00 0.00 H new ATOM 772 N HIS A 53 -3.169 10.077 -20.576 1.00 0.00 N ATOM 773 CA HIS A 53 -4.153 10.425 -19.557 1.00 0.00 C ATOM 774 C HIS A 53 -3.825 9.728 -18.241 1.00 0.00 C ATOM 775 O HIS A 53 -3.791 8.501 -18.177 1.00 0.00 O ATOM 776 CB HIS A 53 -5.560 10.036 -20.021 1.00 0.00 C ATOM 777 CG HIS A 53 -5.976 10.707 -21.292 1.00 0.00 C ATOM 778 ND1 HIS A 53 -6.556 11.953 -21.329 1.00 0.00 N ATOM 779 CD2 HIS A 53 -5.862 10.312 -22.582 1.00 0.00 C ATOM 780 CE1 HIS A 53 -6.775 12.298 -22.582 1.00 0.00 C ATOM 781 NE2 HIS A 53 -6.363 11.319 -23.365 1.00 0.00 N ATOM 0 HA HIS A 53 -4.120 11.503 -19.400 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.603 8.956 -20.159 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.275 10.286 -19.237 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.452 9.376 -22.930 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.217 13.226 -22.912 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.410 11.313 -24.384 1.00 0.00 H new ATOM 790 N ASN A 54 -3.571 10.505 -17.201 1.00 0.00 N ATOM 791 CA ASN A 54 -3.242 9.948 -15.897 1.00 0.00 C ATOM 792 C ASN A 54 -4.483 9.879 -15.024 1.00 0.00 C ATOM 793 O ASN A 54 -5.104 10.902 -14.730 1.00 0.00 O ATOM 794 CB ASN A 54 -2.172 10.796 -15.208 1.00 0.00 C ATOM 795 CG ASN A 54 -1.740 10.219 -13.872 1.00 0.00 C ATOM 796 OD1 ASN A 54 -0.816 9.408 -13.805 1.00 0.00 O ATOM 797 ND2 ASN A 54 -2.398 10.637 -12.800 1.00 0.00 N ATOM 0 H ASN A 54 -3.586 11.524 -17.233 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.854 8.940 -16.043 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.304 10.879 -15.861 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.555 11.805 -15.057 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.144 10.285 -11.877 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.158 11.310 -12.898 1.00 0.00 H new ATOM 804 N GLN A 55 -4.850 8.678 -14.617 1.00 0.00 N ATOM 805 CA GLN A 55 -6.013 8.495 -13.766 1.00 0.00 C ATOM 806 C GLN A 55 -5.595 8.159 -12.345 1.00 0.00 C ATOM 807 O GLN A 55 -4.656 7.398 -12.128 1.00 0.00 O ATOM 808 CB GLN A 55 -6.934 7.379 -14.281 1.00 0.00 C ATOM 809 CG GLN A 55 -7.612 7.674 -15.610 1.00 0.00 C ATOM 810 CD GLN A 55 -6.693 7.490 -16.799 1.00 0.00 C ATOM 811 OE1 GLN A 55 -6.834 8.171 -17.813 1.00 0.00 O ATOM 812 NE2 GLN A 55 -5.769 6.549 -16.693 1.00 0.00 N ATOM 0 H GLN A 55 -4.362 7.816 -14.861 1.00 0.00 H new ATOM 0 HA GLN A 55 -6.559 9.438 -13.783 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.351 6.464 -14.382 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.702 7.187 -13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.477 7.021 -15.723 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.985 8.698 -15.602 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.688 6.008 -15.832 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.137 6.364 -17.472 1.00 0.00 H new ATOM 821 N CYS A 56 -6.289 8.747 -11.386 1.00 0.00 N ATOM 822 CA CYS A 56 -6.203 8.309 -10.008 1.00 0.00 C ATOM 823 C CYS A 56 -7.349 7.334 -9.778 1.00 0.00 C ATOM 824 O CYS A 56 -8.474 7.740 -9.481 1.00 0.00 O ATOM 825 CB CYS A 56 -6.276 9.496 -9.038 1.00 0.00 C ATOM 826 SG CYS A 56 -5.943 9.060 -7.313 1.00 0.00 S ATOM 0 H CYS A 56 -6.921 9.533 -11.540 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.245 7.824 -9.821 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.561 10.255 -9.355 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.267 9.945 -9.104 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.885 9.538 -6.555 1.00 0.00 H new ATOM 832 N LYS A 57 -7.052 6.052 -9.966 1.00 0.00 N ATOM 833 CA LYS A 57 -8.072 5.008 -10.081 1.00 0.00 C ATOM 834 C LYS A 57 -9.075 5.000 -8.930 1.00 0.00 C ATOM 835 O LYS A 57 -10.275 4.866 -9.165 1.00 0.00 O ATOM 836 CB LYS A 57 -7.405 3.642 -10.214 1.00 0.00 C ATOM 837 CG LYS A 57 -6.545 3.526 -11.464 1.00 0.00 C ATOM 838 CD LYS A 57 -5.914 2.152 -11.595 1.00 0.00 C ATOM 839 CE LYS A 57 -6.960 1.065 -11.765 1.00 0.00 C ATOM 840 NZ LYS A 57 -7.855 1.319 -12.929 1.00 0.00 N ATOM 0 H LYS A 57 -6.096 5.704 -10.043 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.647 5.234 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.788 3.457 -9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.172 2.868 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.155 3.730 -12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.762 4.283 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.238 2.143 -12.450 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.312 1.942 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.464 0.103 -11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.559 0.995 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.825 1.481 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.523 2.159 -13.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.842 0.495 -13.563 1.00 0.00 H new ATOM 854 N LEU A 58 -8.602 5.166 -7.702 1.00 0.00 N ATOM 855 CA LEU A 58 -9.484 5.084 -6.538 1.00 0.00 C ATOM 856 C LEU A 58 -10.307 6.358 -6.357 1.00 0.00 C ATOM 857 O LEU A 58 -11.298 6.364 -5.631 1.00 0.00 O ATOM 858 CB LEU A 58 -8.692 4.787 -5.261 1.00 0.00 C ATOM 859 CG LEU A 58 -8.152 3.358 -5.136 1.00 0.00 C ATOM 860 CD1 LEU A 58 -6.889 3.171 -5.960 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.901 3.016 -3.678 1.00 0.00 C ATOM 0 H LEU A 58 -7.624 5.356 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.172 4.259 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.852 5.480 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.331 4.992 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.905 2.675 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.531 2.147 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.107 3.369 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.122 3.863 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.518 1.998 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.171 3.710 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.834 3.094 -3.120 1.00 0.00 H new ATOM 873 N CYS A 59 -9.900 7.434 -7.014 1.00 0.00 N ATOM 874 CA CYS A 59 -10.632 8.689 -6.928 1.00 0.00 C ATOM 875 C CYS A 59 -11.566 8.846 -8.121 1.00 0.00 C ATOM 876 O CYS A 59 -12.599 9.511 -8.032 1.00 0.00 O ATOM 877 CB CYS A 59 -9.668 9.873 -6.857 1.00 0.00 C ATOM 878 SG CYS A 59 -8.555 9.835 -5.435 1.00 0.00 S ATOM 0 H CYS A 59 -9.072 7.464 -7.609 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.229 8.671 -6.016 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.073 9.898 -7.770 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.246 10.797 -6.828 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.970 8.945 -4.583 1.00 0.00 H new ATOM 884 N GLY A 60 -11.197 8.231 -9.238 1.00 0.00 N ATOM 885 CA GLY A 60 -12.005 8.327 -10.438 1.00 0.00 C ATOM 886 C GLY A 60 -11.813 9.650 -11.150 1.00 0.00 C ATOM 887 O GLY A 60 -12.742 10.181 -11.758 1.00 0.00 O ATOM 0 H GLY A 60 -10.352 7.667 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.748 7.511 -11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.056 8.205 -10.177 1.00 0.00 H new ATOM 891 N ALA A 61 -10.603 10.189 -11.061 1.00 0.00 N ATOM 892 CA ALA A 61 -10.276 11.456 -11.699 1.00 0.00 C ATOM 893 C ALA A 61 -9.118 11.269 -12.670 1.00 0.00 C ATOM 894 O ALA A 61 -8.195 10.497 -12.401 1.00 0.00 O ATOM 895 CB ALA A 61 -9.931 12.506 -10.651 1.00 0.00 C ATOM 0 H ALA A 61 -9.829 9.765 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.146 11.803 -12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.689 13.447 -11.145 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.784 12.653 -9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.073 12.171 -10.069 1.00 0.00 H new ATOM 901 N SER A 62 -9.166 11.971 -13.790 1.00 0.00 N ATOM 902 CA SER A 62 -8.147 11.837 -14.817 1.00 0.00 C ATOM 903 C SER A 62 -7.616 13.203 -15.239 1.00 0.00 C ATOM 904 O SER A 62 -8.370 14.172 -15.346 1.00 0.00 O ATOM 905 CB SER A 62 -8.713 11.078 -16.019 1.00 0.00 C ATOM 906 OG SER A 62 -10.016 11.531 -16.340 1.00 0.00 O ATOM 0 H SER A 62 -9.902 12.641 -14.011 1.00 0.00 H new ATOM 0 HA SER A 62 -7.312 11.269 -14.407 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.056 11.211 -16.879 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.739 10.011 -15.800 1.00 0.00 H new ATOM 0 HG SER A 62 -10.355 11.032 -17.112 1.00 0.00 H new ATOM 912 N VAL A 63 -6.317 13.273 -15.462 1.00 0.00 N ATOM 913 CA VAL A 63 -5.664 14.521 -15.811 1.00 0.00 C ATOM 914 C VAL A 63 -4.540 14.263 -16.814 1.00 0.00 C ATOM 915 O VAL A 63 -3.847 13.247 -16.724 1.00 0.00 O ATOM 916 CB VAL A 63 -5.105 15.215 -14.540 1.00 0.00 C ATOM 917 CG1 VAL A 63 -4.114 14.310 -13.819 1.00 0.00 C ATOM 918 CG2 VAL A 63 -4.469 16.559 -14.870 1.00 0.00 C ATOM 0 H VAL A 63 -5.688 12.472 -15.407 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.399 15.183 -16.270 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.946 15.403 -13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.736 14.818 -12.932 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.613 13.387 -13.524 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.283 14.077 -14.485 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.089 17.016 -13.956 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.647 16.410 -15.571 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.215 17.214 -15.320 1.00 0.00 H new ATOM 928 N PRO A 64 -4.380 15.147 -17.817 1.00 0.00 N ATOM 929 CA PRO A 64 -3.269 15.077 -18.767 1.00 0.00 C ATOM 930 C PRO A 64 -1.915 14.941 -18.071 1.00 0.00 C ATOM 931 O PRO A 64 -1.675 15.544 -17.019 1.00 0.00 O ATOM 932 CB PRO A 64 -3.347 16.405 -19.538 1.00 0.00 C ATOM 933 CG PRO A 64 -4.387 17.222 -18.844 1.00 0.00 C ATOM 934 CD PRO A 64 -5.287 16.253 -18.135 1.00 0.00 C ATOM 0 HA PRO A 64 -3.350 14.200 -19.410 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.384 16.915 -19.535 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.615 16.236 -20.581 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.929 17.914 -18.137 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.950 17.822 -19.559 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.725 16.689 -17.237 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.114 15.930 -18.768 1.00 0.00 H new ATOM 942 N TRP A 65 -1.035 14.154 -18.684 1.00 0.00 N ATOM 943 CA TRP A 65 0.280 13.833 -18.128 1.00 0.00 C ATOM 944 C TRP A 65 1.113 15.085 -17.845 1.00 0.00 C ATOM 945 O TRP A 65 2.032 15.054 -17.025 1.00 0.00 O ATOM 946 CB TRP A 65 1.036 12.922 -19.105 1.00 0.00 C ATOM 947 CG TRP A 65 1.634 13.646 -20.283 1.00 0.00 C ATOM 948 CD1 TRP A 65 2.965 13.792 -20.548 1.00 0.00 C ATOM 949 CD2 TRP A 65 0.939 14.335 -21.338 1.00 0.00 C ATOM 950 NE1 TRP A 65 3.141 14.519 -21.698 1.00 0.00 N ATOM 951 CE2 TRP A 65 1.918 14.866 -22.202 1.00 0.00 C ATOM 952 CE3 TRP A 65 -0.410 14.553 -21.641 1.00 0.00 C ATOM 953 CZ2 TRP A 65 1.591 15.596 -23.343 1.00 0.00 C ATOM 954 CZ3 TRP A 65 -0.733 15.281 -22.771 1.00 0.00 C ATOM 955 CH2 TRP A 65 0.264 15.795 -23.610 1.00 0.00 C ATOM 0 H TRP A 65 -1.214 13.717 -19.588 1.00 0.00 H new ATOM 0 HA TRP A 65 0.122 13.325 -17.177 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.832 12.409 -18.565 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.354 12.155 -19.472 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.764 13.393 -19.940 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.041 14.762 -22.111 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.186 14.159 -21.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 2.358 15.991 -23.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -1.771 15.456 -23.011 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.021 16.360 -24.485 1.00 0.00 H new ATOM 966 N LEU A 66 0.777 16.181 -18.518 1.00 0.00 N ATOM 967 CA LEU A 66 1.568 17.402 -18.448 1.00 0.00 C ATOM 968 C LEU A 66 1.521 18.005 -17.043 1.00 0.00 C ATOM 969 O LEU A 66 2.531 18.498 -16.539 1.00 0.00 O ATOM 970 CB LEU A 66 1.059 18.410 -19.488 1.00 0.00 C ATOM 971 CG LEU A 66 2.125 19.310 -20.134 1.00 0.00 C ATOM 972 CD1 LEU A 66 2.726 20.279 -19.126 1.00 0.00 C ATOM 973 CD2 LEU A 66 3.215 18.463 -20.775 1.00 0.00 C ATOM 0 H LEU A 66 -0.043 16.247 -19.121 1.00 0.00 H new ATOM 0 HA LEU A 66 2.607 17.158 -18.669 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.549 17.860 -20.279 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.314 19.048 -19.012 1.00 0.00 H new ATOM 0 HG LEU A 66 1.636 19.901 -20.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.475 20.898 -19.619 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.940 20.915 -18.719 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.194 19.718 -18.317 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.962 19.114 -21.228 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.688 17.842 -20.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.776 17.825 -21.542 1.00 0.00 H new ATOM 985 N GLN A 67 0.357 17.951 -16.408 1.00 0.00 N ATOM 986 CA GLN A 67 0.205 18.505 -15.068 1.00 0.00 C ATOM 987 C GLN A 67 0.661 17.498 -14.014 1.00 0.00 C ATOM 988 O GLN A 67 1.861 17.317 -13.799 1.00 0.00 O ATOM 989 CB GLN A 67 -1.245 18.940 -14.802 1.00 0.00 C ATOM 990 CG GLN A 67 -1.627 20.282 -15.420 1.00 0.00 C ATOM 991 CD GLN A 67 -1.608 20.276 -16.937 1.00 0.00 C ATOM 992 OE1 GLN A 67 -0.594 20.578 -17.560 1.00 0.00 O ATOM 993 NE2 GLN A 67 -2.736 19.932 -17.540 1.00 0.00 N ATOM 0 H GLN A 67 -0.489 17.533 -16.795 1.00 0.00 H new ATOM 0 HA GLN A 67 0.838 19.390 -15.002 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.917 18.173 -15.186 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.403 18.992 -13.725 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.624 20.560 -15.078 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.941 21.048 -15.059 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.557 19.688 -16.986 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.784 19.911 -18.559 1.00 0.00 H new ATOM 1002 N THR A 68 -0.298 16.841 -13.370 1.00 0.00 N ATOM 1003 CA THR A 68 -0.012 15.822 -12.370 1.00 0.00 C ATOM 1004 C THR A 68 -1.305 15.338 -11.724 1.00 0.00 C ATOM 1005 O THR A 68 -2.273 16.091 -11.610 1.00 0.00 O ATOM 1006 CB THR A 68 0.946 16.330 -11.261 1.00 0.00 C ATOM 1007 OG1 THR A 68 1.170 15.295 -10.295 1.00 0.00 O ATOM 1008 CG2 THR A 68 0.389 17.564 -10.561 1.00 0.00 C ATOM 0 H THR A 68 -1.293 17.000 -13.527 1.00 0.00 H new ATOM 0 HA THR A 68 0.481 15.002 -12.892 1.00 0.00 H new ATOM 0 HB THR A 68 1.888 16.603 -11.737 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.777 15.623 -9.599 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.087 17.891 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.250 18.364 -11.289 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.569 17.321 -10.103 1.00 0.00 H new ATOM 1016 N GLY A 69 -1.320 14.074 -11.325 1.00 0.00 N ATOM 1017 CA GLY A 69 -2.454 13.533 -10.609 1.00 0.00 C ATOM 1018 C GLY A 69 -2.177 13.456 -9.125 1.00 0.00 C ATOM 1019 O GLY A 69 -2.981 12.927 -8.356 1.00 0.00 O ATOM 0 H GLY A 69 -0.562 13.411 -11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.330 14.156 -10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.688 12.539 -10.990 1.00 0.00 H new ATOM 1091 N HIS A 74 -8.660 15.390 -5.239 1.00 0.00 N ATOM 1092 CA HIS A 74 -8.928 13.961 -5.216 1.00 0.00 C ATOM 1093 C HIS A 74 -9.987 13.621 -4.176 1.00 0.00 C ATOM 1094 O HIS A 74 -10.573 14.508 -3.558 1.00 0.00 O ATOM 1095 CB HIS A 74 -7.629 13.198 -4.911 1.00 0.00 C ATOM 1096 CG HIS A 74 -6.939 13.665 -3.659 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -5.690 14.241 -3.655 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -7.349 13.659 -2.373 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -5.364 14.573 -2.417 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -6.359 14.230 -1.617 1.00 0.00 N ATOM 0 HA HIS A 74 -9.305 13.664 -6.194 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.854 12.136 -4.818 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.947 13.306 -5.754 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.289 13.273 -2.006 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.442 15.044 -2.111 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.385 14.367 -0.607 1.00 0.00 H new ATOM 1109 N ALA A 75 -10.217 12.332 -3.985 1.00 0.00 N ATOM 1110 CA ALA A 75 -11.091 11.861 -2.929 1.00 0.00 C ATOM 1111 C ALA A 75 -10.263 11.554 -1.691 1.00 0.00 C ATOM 1112 O ALA A 75 -9.544 10.560 -1.648 1.00 0.00 O ATOM 1113 CB ALA A 75 -11.863 10.631 -3.384 1.00 0.00 C ATOM 0 H ALA A 75 -9.806 11.591 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.817 12.638 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.514 10.291 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.466 10.882 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.163 9.837 -3.644 1.00 0.00 H new ATOM 1119 N ASP A 76 -10.351 12.423 -0.694 1.00 0.00 N ATOM 1120 CA ASP A 76 -9.537 12.310 0.510 1.00 0.00 C ATOM 1121 C ASP A 76 -10.019 11.165 1.392 1.00 0.00 C ATOM 1122 O ASP A 76 -9.400 10.830 2.400 1.00 0.00 O ATOM 1123 CB ASP A 76 -9.568 13.626 1.284 1.00 0.00 C ATOM 1124 CG ASP A 76 -8.941 14.774 0.511 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -7.703 14.943 0.578 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -9.686 15.507 -0.180 1.00 0.00 O ATOM 0 H ASP A 76 -10.985 13.222 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.511 12.095 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.601 13.877 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.041 13.499 2.230 1.00 0.00 H new ATOM 1131 N ASP A 77 -11.141 10.582 1.004 1.00 0.00 N ATOM 1132 CA ASP A 77 -11.710 9.436 1.700 1.00 0.00 C ATOM 1133 C ASP A 77 -10.875 8.182 1.454 1.00 0.00 C ATOM 1134 O ASP A 77 -10.784 7.308 2.315 1.00 0.00 O ATOM 1135 CB ASP A 77 -13.148 9.205 1.219 1.00 0.00 C ATOM 1136 CG ASP A 77 -13.869 8.100 1.973 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -13.783 6.928 1.553 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.565 8.410 2.963 1.00 0.00 O ATOM 0 H ASP A 77 -11.685 10.889 0.197 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.710 9.644 2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.711 10.132 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.133 8.959 0.157 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.241 8.113 0.286 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.529 6.905 -0.118 1.00 0.00 C ATOM 1145 C CYS A 78 -8.233 6.734 0.672 1.00 0.00 C ATOM 1146 O CYS A 78 -7.571 7.714 1.027 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.229 6.927 -1.620 1.00 0.00 C ATOM 1148 SG CYS A 78 -8.005 8.158 -2.120 1.00 0.00 S ATOM 0 H CYS A 78 -10.206 8.874 -0.393 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.176 6.055 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.878 5.940 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.157 7.115 -2.161 1.00 0.00 H new ATOM 0 HG CYS A 78 -8.568 9.328 -2.187 1.00 0.00 H new ATOM 1154 N PRO A 79 -7.848 5.474 0.951 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.645 5.159 1.734 1.00 0.00 C ATOM 1156 C PRO A 79 -5.349 5.577 1.039 1.00 0.00 C ATOM 1157 O PRO A 79 -4.280 5.577 1.650 1.00 0.00 O ATOM 1158 CB PRO A 79 -6.703 3.635 1.887 1.00 0.00 C ATOM 1159 CG PRO A 79 -7.565 3.168 0.767 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.575 4.256 0.549 1.00 0.00 C ATOM 0 HA PRO A 79 -6.636 5.699 2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.708 3.194 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.122 3.351 2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.976 2.995 -0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.053 2.225 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.897 4.304 -0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.469 4.103 1.153 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.449 5.941 -0.235 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.292 6.394 -0.996 1.00 0.00 C ATOM 1170 C VAL A 80 -3.748 7.685 -0.395 1.00 0.00 C ATOM 1171 O VAL A 80 -2.536 7.881 -0.291 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.642 6.624 -2.484 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -3.416 7.067 -3.271 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.246 5.367 -3.091 1.00 0.00 C ATOM 0 H VAL A 80 -6.322 5.931 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.534 5.612 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.382 7.422 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.690 7.222 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.033 7.999 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.646 6.298 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.486 5.548 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.530 4.548 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.155 5.103 -2.551 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.658 8.554 0.024 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.277 9.812 0.648 1.00 0.00 C ATOM 1186 C VAL A 81 -3.690 9.553 2.031 1.00 0.00 C ATOM 1187 O VAL A 81 -2.758 10.235 2.464 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.481 10.771 0.761 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -5.054 12.135 1.293 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.167 10.910 -0.587 1.00 0.00 C ATOM 0 H VAL A 81 -5.665 8.410 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.525 10.285 0.017 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.189 10.347 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.924 12.788 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.610 12.017 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.322 12.576 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.015 11.589 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.461 11.308 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.519 9.933 -0.919 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.237 8.550 2.707 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.730 8.120 4.004 1.00 0.00 C ATOM 1202 C ILE A 82 -2.275 7.681 3.877 1.00 0.00 C ATOM 1203 O ILE A 82 -1.398 8.197 4.571 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.565 6.949 4.574 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -6.039 7.351 4.708 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -4.007 6.492 5.916 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -6.279 8.492 5.675 1.00 0.00 C ATOM 0 H ILE A 82 -5.039 8.015 2.374 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.805 8.966 4.687 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.501 6.113 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.419 7.634 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.614 6.484 5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.609 5.668 6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.977 6.160 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.035 7.321 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.345 8.717 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.931 8.207 6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.734 9.374 5.339 1.00 0.00 H new ATOM 1219 N ALA A 83 -2.031 6.747 2.962 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.692 6.220 2.733 1.00 0.00 C ATOM 1221 C ALA A 83 0.282 7.330 2.355 1.00 0.00 C ATOM 1222 O ALA A 83 1.406 7.375 2.856 1.00 0.00 O ATOM 1223 CB ALA A 83 -0.723 5.153 1.651 1.00 0.00 C ATOM 0 H ALA A 83 -2.749 6.338 2.364 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.344 5.771 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.284 4.768 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.377 4.339 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.098 5.586 0.724 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.166 8.237 1.486 1.00 0.00 N ATOM 1230 CA LYS A 84 0.644 9.358 1.047 1.00 0.00 C ATOM 1231 C LYS A 84 1.066 10.227 2.228 1.00 0.00 C ATOM 1232 O LYS A 84 2.231 10.607 2.344 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.150 10.173 0.027 1.00 0.00 C ATOM 1234 CG LYS A 84 0.378 11.575 -0.199 1.00 0.00 C ATOM 1235 CD LYS A 84 -0.514 12.332 -1.161 1.00 0.00 C ATOM 1236 CE LYS A 84 -0.168 12.032 -2.609 1.00 0.00 C ATOM 1237 NZ LYS A 84 1.162 12.578 -2.983 1.00 0.00 N ATOM 0 H LYS A 84 -1.098 8.210 1.072 1.00 0.00 H new ATOM 0 HA LYS A 84 1.555 8.982 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.151 9.640 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.186 10.237 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.431 12.107 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.392 11.528 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.555 12.069 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.418 13.402 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.176 10.954 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.932 12.457 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.218 12.678 -4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.293 13.509 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.907 11.930 -2.657 1.00 0.00 H new ATOM 1251 N GLN A 85 0.119 10.525 3.108 1.00 0.00 N ATOM 1252 CA GLN A 85 0.399 11.338 4.285 1.00 0.00 C ATOM 1253 C GLN A 85 1.405 10.633 5.194 1.00 0.00 C ATOM 1254 O GLN A 85 2.345 11.252 5.702 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.896 11.621 5.051 1.00 0.00 C ATOM 1256 CG GLN A 85 -0.702 12.461 6.304 1.00 0.00 C ATOM 1257 CD GLN A 85 -1.999 12.704 7.057 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -2.005 12.842 8.282 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -3.108 12.761 6.333 1.00 0.00 N ATOM 0 H GLN A 85 -0.850 10.216 3.029 1.00 0.00 H new ATOM 0 HA GLN A 85 0.830 12.285 3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.594 12.132 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.356 10.673 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.008 11.962 6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.262 13.420 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.063 12.642 5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.006 12.924 6.788 1.00 0.00 H new ATOM 1268 N ILE A 86 1.209 9.332 5.368 1.00 0.00 N ATOM 1269 CA ILE A 86 2.051 8.530 6.246 1.00 0.00 C ATOM 1270 C ILE A 86 3.494 8.474 5.744 1.00 0.00 C ATOM 1271 O ILE A 86 4.424 8.798 6.486 1.00 0.00 O ATOM 1272 CB ILE A 86 1.495 7.096 6.399 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.111 7.128 7.056 1.00 0.00 C ATOM 1274 CG2 ILE A 86 2.447 6.234 7.215 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.523 5.761 7.211 1.00 0.00 C ATOM 0 H ILE A 86 0.466 8.806 4.907 1.00 0.00 H new ATOM 0 HA ILE A 86 2.044 9.016 7.222 1.00 0.00 H new ATOM 0 HB ILE A 86 1.401 6.658 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.196 7.592 8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.549 7.759 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.036 5.229 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.414 6.185 6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.574 6.670 8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.500 5.864 7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.641 5.301 6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.115 5.132 7.832 1.00 0.00 H new ATOM 1287 N LEU A 87 3.681 8.093 4.481 1.00 0.00 N ATOM 1288 CA LEU A 87 5.028 7.930 3.932 1.00 0.00 C ATOM 1289 C LEU A 87 5.758 9.270 3.823 1.00 0.00 C ATOM 1290 O LEU A 87 6.987 9.311 3.765 1.00 0.00 O ATOM 1291 CB LEU A 87 4.991 7.202 2.573 1.00 0.00 C ATOM 1292 CG LEU A 87 4.153 7.846 1.457 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.913 8.974 0.769 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.734 6.791 0.440 1.00 0.00 C ATOM 0 H LEU A 87 2.927 7.893 3.824 1.00 0.00 H new ATOM 0 HA LEU A 87 5.591 7.309 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.015 7.104 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.614 6.193 2.740 1.00 0.00 H new ATOM 0 HG LEU A 87 3.261 8.277 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.291 9.407 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.163 9.743 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.829 8.580 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.141 7.259 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.622 6.335 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.139 6.024 0.936 1.00 0.00 H new ATOM 1306 N SER A 88 4.999 10.360 3.803 1.00 0.00 N ATOM 1307 CA SER A 88 5.580 11.688 3.746 1.00 0.00 C ATOM 1308 C SER A 88 6.057 12.130 5.129 1.00 0.00 C ATOM 1309 O SER A 88 7.049 12.849 5.247 1.00 0.00 O ATOM 1310 CB SER A 88 4.558 12.683 3.206 1.00 0.00 C ATOM 1311 OG SER A 88 4.144 12.349 1.890 1.00 0.00 O ATOM 0 H SER A 88 3.979 10.346 3.826 1.00 0.00 H new ATOM 0 HA SER A 88 6.440 11.658 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.690 12.707 3.865 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.988 13.684 3.209 1.00 0.00 H new ATOM 0 HG SER A 88 3.628 11.516 1.911 1.00 0.00 H new ATOM 1317 N SER A 89 5.329 11.704 6.169 1.00 0.00 N ATOM 1318 CA SER A 89 5.668 12.033 7.554 1.00 0.00 C ATOM 1319 C SER A 89 5.695 13.548 7.775 1.00 0.00 C ATOM 1320 O SER A 89 6.504 14.064 8.549 1.00 0.00 O ATOM 1321 CB SER A 89 7.018 11.416 7.924 1.00 0.00 C ATOM 1322 OG SER A 89 6.999 10.007 7.744 1.00 0.00 O ATOM 0 H SER A 89 4.494 11.126 6.073 1.00 0.00 H new ATOM 0 HA SER A 89 4.896 11.616 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.803 11.854 7.308 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.257 11.651 8.961 1.00 0.00 H new ATOM 0 HG SER A 89 6.112 9.729 7.435 1.00 0.00 H new ATOM 1328 N ARG A 90 4.787 14.251 7.112 1.00 0.00 N ATOM 1329 CA ARG A 90 4.731 15.702 7.196 1.00 0.00 C ATOM 1330 C ARG A 90 3.286 16.179 7.268 1.00 0.00 C ATOM 1331 O ARG A 90 2.373 15.464 6.851 1.00 0.00 O ATOM 1332 CB ARG A 90 5.421 16.333 5.983 1.00 0.00 C ATOM 1333 CG ARG A 90 4.813 15.921 4.653 1.00 0.00 C ATOM 1334 CD ARG A 90 5.393 16.719 3.498 1.00 0.00 C ATOM 1335 NE ARG A 90 4.972 18.120 3.530 1.00 0.00 N ATOM 1336 CZ ARG A 90 5.396 19.038 2.664 1.00 0.00 C ATOM 1337 NH1 ARG A 90 6.291 18.710 1.740 1.00 0.00 N ATOM 1338 NH2 ARG A 90 4.938 20.282 2.730 1.00 0.00 N ATOM 0 H ARG A 90 4.077 13.837 6.508 1.00 0.00 H new ATOM 0 HA ARG A 90 5.251 16.010 8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.375 17.418 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.476 16.057 5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.990 14.858 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.733 16.063 4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.481 16.667 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.082 16.269 2.555 1.00 0.00 H new ATOM 0 HE ARG A 90 4.317 18.409 4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.652 17.757 1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.618 19.411 1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.258 20.538 3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.266 20.982 2.064 1.00 0.00 H new ATOM 1710 N TYR B 18 1.628 8.327 14.313 1.00 0.00 N ATOM 1711 CA TYR B 18 3.022 8.247 13.904 1.00 0.00 C ATOM 1712 C TYR B 18 3.595 6.872 14.263 1.00 0.00 C ATOM 1713 O TYR B 18 2.992 6.127 15.032 1.00 0.00 O ATOM 1714 CB TYR B 18 3.830 9.365 14.569 1.00 0.00 C ATOM 1715 CG TYR B 18 4.973 9.888 13.723 1.00 0.00 C ATOM 1716 CD1 TYR B 18 5.184 9.422 12.429 1.00 0.00 C ATOM 1717 CD2 TYR B 18 5.838 10.854 14.219 1.00 0.00 C ATOM 1718 CE1 TYR B 18 6.218 9.909 11.654 1.00 0.00 C ATOM 1719 CE2 TYR B 18 6.876 11.343 13.450 1.00 0.00 C ATOM 1720 CZ TYR B 18 7.064 10.866 12.170 1.00 0.00 C ATOM 1721 OH TYR B 18 8.094 11.357 11.403 1.00 0.00 O ATOM 0 HA TYR B 18 3.086 8.375 12.823 1.00 0.00 H new ATOM 0 HB2 TYR B 18 3.160 10.191 14.806 1.00 0.00 H new ATOM 0 HB3 TYR B 18 4.230 8.997 15.514 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.528 8.666 12.024 1.00 0.00 H new ATOM 0 HD2 TYR B 18 5.697 11.229 15.222 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.363 9.542 10.649 1.00 0.00 H new ATOM 0 HE2 TYR B 18 7.538 12.097 13.850 1.00 0.00 H new ATOM 0 HH TYR B 18 8.594 12.025 11.916 1.00 0.00 H new ATOM 1731 N PHE B 19 4.772 6.558 13.728 1.00 0.00 N ATOM 1732 CA PHE B 19 5.342 5.212 13.831 1.00 0.00 C ATOM 1733 C PHE B 19 5.876 4.893 15.224 1.00 0.00 C ATOM 1734 O PHE B 19 6.426 3.816 15.444 1.00 0.00 O ATOM 1735 CB PHE B 19 6.459 5.024 12.803 1.00 0.00 C ATOM 1736 CG PHE B 19 5.972 4.962 11.386 1.00 0.00 C ATOM 1737 CD1 PHE B 19 5.445 3.786 10.879 1.00 0.00 C ATOM 1738 CD2 PHE B 19 6.044 6.072 10.560 1.00 0.00 C ATOM 1739 CE1 PHE B 19 4.997 3.717 9.576 1.00 0.00 C ATOM 1740 CE2 PHE B 19 5.599 6.009 9.254 1.00 0.00 C ATOM 1741 CZ PHE B 19 5.076 4.829 8.762 1.00 0.00 C ATOM 0 H PHE B 19 5.355 7.220 13.215 1.00 0.00 H new ATOM 0 HA PHE B 19 4.525 4.519 13.629 1.00 0.00 H new ATOM 0 HB2 PHE B 19 7.169 5.845 12.898 1.00 0.00 H new ATOM 0 HB3 PHE B 19 7.000 4.106 13.032 1.00 0.00 H new ATOM 0 HD1 PHE B 19 5.384 2.912 11.511 1.00 0.00 H new ATOM 0 HD2 PHE B 19 6.452 6.996 10.941 1.00 0.00 H new ATOM 0 HE1 PHE B 19 4.585 2.795 9.194 1.00 0.00 H new ATOM 0 HE2 PHE B 19 5.660 6.880 8.619 1.00 0.00 H new ATOM 0 HZ PHE B 19 4.729 4.776 7.741 1.00 0.00 H new ATOM 1751 N GLN B 20 5.724 5.812 16.158 1.00 0.00 N ATOM 1752 CA GLN B 20 6.175 5.578 17.517 1.00 0.00 C ATOM 1753 C GLN B 20 5.007 5.142 18.393 1.00 0.00 C ATOM 1754 O GLN B 20 4.171 5.957 18.791 1.00 0.00 O ATOM 1755 CB GLN B 20 6.851 6.823 18.101 1.00 0.00 C ATOM 1756 CG GLN B 20 8.207 7.135 17.481 1.00 0.00 C ATOM 1757 CD GLN B 20 8.106 7.651 16.059 1.00 0.00 C ATOM 1758 OE1 GLN B 20 7.149 8.334 15.697 1.00 0.00 O ATOM 1759 NE2 GLN B 20 9.078 7.302 15.233 1.00 0.00 N ATOM 0 H GLN B 20 5.294 6.724 16.002 1.00 0.00 H new ATOM 0 HA GLN B 20 6.915 4.778 17.494 1.00 0.00 H new ATOM 0 HB2 GLN B 20 6.193 7.681 17.963 1.00 0.00 H new ATOM 0 HB3 GLN B 20 6.976 6.687 19.175 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.719 7.876 18.095 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.821 6.234 17.492 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.855 6.735 15.571 1.00 0.00 H new ATOM 0 HE22 GLN B 20 9.050 7.600 14.258 1.00 0.00 H new ATOM 1768 N GLY B 21 4.945 3.847 18.668 1.00 0.00 N ATOM 1769 CA GLY B 21 3.868 3.302 19.465 1.00 0.00 C ATOM 1770 C GLY B 21 2.834 2.597 18.617 1.00 0.00 C ATOM 1771 O GLY B 21 2.818 1.365 18.557 1.00 0.00 O ATOM 0 H GLY B 21 5.628 3.160 18.350 1.00 0.00 H new ATOM 0 HA2 GLY B 21 4.276 2.603 20.195 1.00 0.00 H new ATOM 0 HA3 GLY B 21 3.390 4.105 20.026 1.00 0.00 H new ATOM 1775 N MET B 22 2.005 3.390 17.928 1.00 0.00 N ATOM 1776 CA MET B 22 0.880 2.881 17.140 1.00 0.00 C ATOM 1777 C MET B 22 -0.193 2.276 18.040 1.00 0.00 C ATOM 1778 O MET B 22 -0.015 1.206 18.617 1.00 0.00 O ATOM 1779 CB MET B 22 1.340 1.861 16.098 1.00 0.00 C ATOM 1780 CG MET B 22 2.118 2.471 14.944 1.00 0.00 C ATOM 1781 SD MET B 22 1.143 3.677 14.023 1.00 0.00 S ATOM 1782 CE MET B 22 2.194 3.961 12.604 1.00 0.00 C ATOM 0 H MET B 22 2.097 4.406 17.902 1.00 0.00 H new ATOM 0 HA MET B 22 0.447 3.730 16.611 1.00 0.00 H new ATOM 0 HB2 MET B 22 1.962 1.111 16.587 1.00 0.00 H new ATOM 0 HB3 MET B 22 0.467 1.342 15.701 1.00 0.00 H new ATOM 0 HG2 MET B 22 3.017 2.952 15.329 1.00 0.00 H new ATOM 0 HG3 MET B 22 2.444 1.679 14.270 1.00 0.00 H new ATOM 0 HE1 MET B 22 2.516 5.002 12.592 1.00 0.00 H new ATOM 0 HE2 MET B 22 3.067 3.312 12.662 1.00 0.00 H new ATOM 0 HE3 MET B 22 1.640 3.742 11.691 1.00 0.00 H new ATOM 1792 N THR B 23 -1.327 2.962 18.135 1.00 0.00 N ATOM 1793 CA THR B 23 -2.391 2.580 19.056 1.00 0.00 C ATOM 1794 C THR B 23 -3.321 1.506 18.485 1.00 0.00 C ATOM 1795 O THR B 23 -4.545 1.613 18.592 1.00 0.00 O ATOM 1796 CB THR B 23 -3.224 3.803 19.454 1.00 0.00 C ATOM 1797 OG1 THR B 23 -3.455 4.630 18.305 1.00 0.00 O ATOM 1798 CG2 THR B 23 -2.532 4.606 20.545 1.00 0.00 C ATOM 0 H THR B 23 -1.534 3.793 17.580 1.00 0.00 H new ATOM 0 HA THR B 23 -1.896 2.159 19.931 1.00 0.00 H new ATOM 0 HB THR B 23 -4.179 3.454 19.846 1.00 0.00 H new ATOM 0 HG1 THR B 23 -3.989 5.409 18.565 1.00 0.00 H new ATOM 0 HG21 THR B 23 -3.146 5.468 20.807 1.00 0.00 H new ATOM 0 HG22 THR B 23 -2.392 3.979 21.425 1.00 0.00 H new ATOM 0 HG23 THR B 23 -1.562 4.948 20.185 1.00 0.00 H new ATOM 1806 N ASP B 24 -2.721 0.481 17.890 1.00 0.00 N ATOM 1807 CA ASP B 24 -3.435 -0.716 17.402 1.00 0.00 C ATOM 1808 C ASP B 24 -4.268 -0.451 16.140 1.00 0.00 C ATOM 1809 O ASP B 24 -4.096 -1.137 15.133 1.00 0.00 O ATOM 1810 CB ASP B 24 -4.320 -1.311 18.507 1.00 0.00 C ATOM 1811 CG ASP B 24 -5.077 -2.545 18.059 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -4.471 -3.634 17.996 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -6.289 -2.436 17.792 1.00 0.00 O ATOM 0 H ASP B 24 -1.715 0.448 17.726 1.00 0.00 H new ATOM 0 HA ASP B 24 -2.666 -1.437 17.126 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.698 -1.565 19.366 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.032 -0.556 18.841 1.00 0.00 H new ATOM 1818 N THR B 25 -5.151 0.548 16.188 1.00 0.00 N ATOM 1819 CA THR B 25 -6.030 0.876 15.060 1.00 0.00 C ATOM 1820 C THR B 25 -5.224 1.196 13.797 1.00 0.00 C ATOM 1821 O THR B 25 -5.736 1.106 12.683 1.00 0.00 O ATOM 1822 CB THR B 25 -6.932 2.074 15.410 1.00 0.00 C ATOM 1823 OG1 THR B 25 -7.546 1.855 16.688 1.00 0.00 O ATOM 1824 CG2 THR B 25 -8.015 2.275 14.360 1.00 0.00 C ATOM 0 H THR B 25 -5.278 1.149 17.002 1.00 0.00 H new ATOM 0 HA THR B 25 -6.649 0.001 14.863 1.00 0.00 H new ATOM 0 HB THR B 25 -6.311 2.969 15.440 1.00 0.00 H new ATOM 0 HG1 THR B 25 -8.119 2.618 16.911 1.00 0.00 H new ATOM 0 HG21 THR B 25 -8.635 3.128 14.636 1.00 0.00 H new ATOM 0 HG22 THR B 25 -7.552 2.461 13.391 1.00 0.00 H new ATOM 0 HG23 THR B 25 -8.635 1.380 14.300 1.00 0.00 H new ATOM 1832 N ALA B 26 -3.953 1.536 13.977 1.00 0.00 N ATOM 1833 CA ALA B 26 -3.062 1.806 12.858 1.00 0.00 C ATOM 1834 C ALA B 26 -2.947 0.593 11.939 1.00 0.00 C ATOM 1835 O ALA B 26 -2.807 0.733 10.725 1.00 0.00 O ATOM 1836 CB ALA B 26 -1.692 2.208 13.368 1.00 0.00 C ATOM 0 H ALA B 26 -3.516 1.631 14.894 1.00 0.00 H new ATOM 0 HA ALA B 26 -3.484 2.628 12.280 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -1.033 2.408 12.523 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.780 3.106 13.979 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.276 1.400 13.969 1.00 0.00 H new ATOM 1842 N ALA B 27 -3.022 -0.599 12.522 1.00 0.00 N ATOM 1843 CA ALA B 27 -2.986 -1.829 11.744 1.00 0.00 C ATOM 1844 C ALA B 27 -4.210 -1.919 10.846 1.00 0.00 C ATOM 1845 O ALA B 27 -4.136 -2.389 9.712 1.00 0.00 O ATOM 1846 CB ALA B 27 -2.921 -3.034 12.663 1.00 0.00 C ATOM 0 H ALA B 27 -3.108 -0.738 13.529 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.093 -1.819 11.120 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -2.895 -3.946 12.066 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.022 -2.976 13.276 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -3.800 -3.048 13.308 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.330 -1.442 11.368 1.00 0.00 N ATOM 1853 CA GLU B 28 -6.586 -1.428 10.638 1.00 0.00 C ATOM 1854 C GLU B 28 -6.535 -0.452 9.465 1.00 0.00 C ATOM 1855 O GLU B 28 -7.218 -0.643 8.460 1.00 0.00 O ATOM 1856 CB GLU B 28 -7.729 -1.068 11.587 1.00 0.00 C ATOM 1857 CG GLU B 28 -8.236 -2.253 12.390 1.00 0.00 C ATOM 1858 CD GLU B 28 -8.839 -3.332 11.514 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -10.017 -3.196 11.121 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -8.144 -4.322 11.215 1.00 0.00 O ATOM 0 H GLU B 28 -5.392 -1.054 12.309 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.759 -2.424 10.229 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.392 -0.290 12.272 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.553 -0.649 11.010 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -7.413 -2.675 12.967 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -8.984 -1.910 13.105 1.00 0.00 H new ATOM 1867 N ASP B 29 -5.726 0.592 9.596 1.00 0.00 N ATOM 1868 CA ASP B 29 -5.545 1.562 8.517 1.00 0.00 C ATOM 1869 C ASP B 29 -4.591 1.023 7.458 1.00 0.00 C ATOM 1870 O ASP B 29 -4.860 1.122 6.260 1.00 0.00 O ATOM 1871 CB ASP B 29 -5.029 2.897 9.061 1.00 0.00 C ATOM 1872 CG ASP B 29 -6.147 3.768 9.600 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -6.716 3.430 10.657 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -6.473 4.786 8.955 1.00 0.00 O ATOM 0 H ASP B 29 -5.184 0.791 10.437 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.518 1.730 8.055 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -4.304 2.709 9.853 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -4.504 3.431 8.269 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.487 0.435 7.898 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.511 -0.140 6.980 1.00 0.00 C ATOM 1881 C VAL B 30 -3.107 -1.343 6.242 1.00 0.00 C ATOM 1882 O VAL B 30 -2.763 -1.616 5.091 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.218 -0.548 7.719 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.224 -1.205 6.772 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.587 0.667 8.379 1.00 0.00 C ATOM 0 H VAL B 30 -3.244 0.343 8.884 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.253 0.625 6.248 1.00 0.00 H new ATOM 0 HB VAL B 30 -1.484 -1.275 8.486 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.675 -1.481 7.323 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -0.672 -2.099 6.338 1.00 0.00 H new ATOM 0 HG13 VAL B 30 0.037 -0.507 5.977 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.324 0.368 8.897 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.345 1.409 7.619 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.287 1.097 9.095 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.017 -2.046 6.899 1.00 0.00 N ATOM 1896 CA ARG B 31 -4.728 -3.142 6.262 1.00 0.00 C ATOM 1897 C ARG B 31 -5.593 -2.618 5.114 1.00 0.00 C ATOM 1898 O ARG B 31 -5.757 -3.289 4.095 1.00 0.00 O ATOM 1899 CB ARG B 31 -5.576 -3.892 7.295 1.00 0.00 C ATOM 1900 CG ARG B 31 -6.449 -4.991 6.707 1.00 0.00 C ATOM 1901 CD ARG B 31 -6.406 -6.259 7.550 1.00 0.00 C ATOM 1902 NE ARG B 31 -6.716 -6.014 8.960 1.00 0.00 N ATOM 1903 CZ ARG B 31 -6.490 -6.897 9.934 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -5.951 -8.077 9.652 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -6.802 -6.590 11.185 1.00 0.00 N ATOM 0 H ARG B 31 -4.279 -1.877 7.870 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.003 -3.841 5.845 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -4.914 -4.330 8.042 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.213 -3.176 7.814 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -7.478 -4.638 6.634 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -6.116 -5.217 5.694 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -7.115 -6.982 7.147 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -5.416 -6.707 7.473 1.00 0.00 H new ATOM 0 HE ARG B 31 -7.129 -5.116 9.212 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -5.709 -8.310 8.689 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -5.779 -8.751 10.398 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -7.213 -5.682 11.400 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -6.631 -7.262 11.933 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.103 -1.397 5.266 1.00 0.00 N ATOM 1920 CA LYS B 32 -6.960 -0.792 4.251 1.00 0.00 C ATOM 1921 C LYS B 32 -6.152 -0.359 3.031 1.00 0.00 C ATOM 1922 O LYS B 32 -6.577 -0.577 1.898 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.715 0.409 4.821 1.00 0.00 C ATOM 1924 CG LYS B 32 -8.702 0.037 5.909 1.00 0.00 C ATOM 1925 CD LYS B 32 -9.521 1.238 6.352 1.00 0.00 C ATOM 1926 CE LYS B 32 -10.457 0.882 7.493 1.00 0.00 C ATOM 1927 NZ LYS B 32 -9.718 0.579 8.747 1.00 0.00 N ATOM 0 H LYS B 32 -5.937 -0.808 6.082 1.00 0.00 H new ATOM 0 HA LYS B 32 -7.680 -1.549 3.940 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -6.996 1.124 5.221 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -8.248 0.911 4.013 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.368 -0.745 5.545 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -8.165 -0.374 6.764 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -8.853 2.040 6.665 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -10.100 1.616 5.509 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.145 1.709 7.669 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.061 0.019 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.186 -0.205 9.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.740 0.309 8.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.710 1.421 9.358 1.00 0.00 H new ATOM 1941 N ILE B 33 -4.988 0.252 3.258 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.152 0.719 2.151 1.00 0.00 C ATOM 1943 C ILE B 33 -3.640 -0.463 1.333 1.00 0.00 C ATOM 1944 O ILE B 33 -3.480 -0.370 0.118 1.00 0.00 O ATOM 1945 CB ILE B 33 -2.960 1.590 2.623 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -1.996 0.792 3.498 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.471 2.810 3.369 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -0.771 1.572 3.924 1.00 0.00 C ATOM 0 H ILE B 33 -4.606 0.433 4.186 1.00 0.00 H new ATOM 0 HA ILE B 33 -4.785 1.350 1.528 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.409 1.916 1.741 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.525 0.450 4.387 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -1.678 -0.098 2.955 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.626 3.416 3.697 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.107 3.400 2.709 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.047 2.491 4.237 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.134 0.940 4.542 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.218 1.891 3.041 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.078 2.448 4.496 1.00 0.00 H new ATOM 1960 N ALA B 34 -3.408 -1.581 2.008 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.015 -2.812 1.338 1.00 0.00 C ATOM 1962 C ALA B 34 -4.178 -3.369 0.521 1.00 0.00 C ATOM 1963 O ALA B 34 -3.992 -3.864 -0.588 1.00 0.00 O ATOM 1964 CB ALA B 34 -2.534 -3.841 2.351 1.00 0.00 C ATOM 0 H ALA B 34 -3.486 -1.660 3.022 1.00 0.00 H new ATOM 0 HA ALA B 34 -2.192 -2.588 0.659 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -2.244 -4.755 1.832 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -1.676 -3.444 2.893 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -3.337 -4.062 3.054 1.00 0.00 H new ATOM 1970 N THR B 35 -5.382 -3.264 1.072 1.00 0.00 N ATOM 1971 CA THR B 35 -6.589 -3.732 0.396 1.00 0.00 C ATOM 1972 C THR B 35 -6.886 -2.881 -0.842 1.00 0.00 C ATOM 1973 O THR B 35 -7.465 -3.363 -1.817 1.00 0.00 O ATOM 1974 CB THR B 35 -7.805 -3.702 1.350 1.00 0.00 C ATOM 1975 OG1 THR B 35 -7.515 -4.463 2.531 1.00 0.00 O ATOM 1976 CG2 THR B 35 -9.052 -4.271 0.678 1.00 0.00 C ATOM 0 H THR B 35 -5.550 -2.856 1.992 1.00 0.00 H new ATOM 0 HA THR B 35 -6.412 -4.761 0.084 1.00 0.00 H new ATOM 0 HB THR B 35 -7.999 -2.662 1.614 1.00 0.00 H new ATOM 0 HG1 THR B 35 -6.833 -3.999 3.060 1.00 0.00 H new ATOM 0 HG21 THR B 35 -9.889 -4.236 1.375 1.00 0.00 H new ATOM 0 HG22 THR B 35 -9.291 -3.680 -0.206 1.00 0.00 H new ATOM 0 HG23 THR B 35 -8.868 -5.304 0.384 1.00 0.00 H new ATOM 1984 N ALA B 36 -6.476 -1.617 -0.790 1.00 0.00 N ATOM 1985 CA ALA B 36 -6.740 -0.664 -1.863 1.00 0.00 C ATOM 1986 C ALA B 36 -6.253 -1.168 -3.224 1.00 0.00 C ATOM 1987 O ALA B 36 -6.918 -0.955 -4.241 1.00 0.00 O ATOM 1988 CB ALA B 36 -6.093 0.673 -1.540 1.00 0.00 C ATOM 0 H ALA B 36 -5.954 -1.226 -0.006 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.821 -0.544 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -6.295 1.379 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -6.503 1.060 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -5.016 0.540 -1.435 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.107 -1.846 -3.245 1.00 0.00 N ATOM 1995 CA LEU B 37 -4.544 -2.322 -4.500 1.00 0.00 C ATOM 1996 C LEU B 37 -5.334 -3.516 -5.036 1.00 0.00 C ATOM 1997 O LEU B 37 -5.346 -3.772 -6.241 1.00 0.00 O ATOM 1998 CB LEU B 37 -3.049 -2.650 -4.333 1.00 0.00 C ATOM 1999 CG LEU B 37 -2.697 -3.833 -3.427 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -2.585 -5.118 -4.236 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.401 -3.558 -2.685 1.00 0.00 C ATOM 0 H LEU B 37 -4.558 -2.074 -2.416 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.624 -1.526 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.632 -2.843 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -2.549 -1.764 -3.943 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.498 -3.959 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.334 -5.945 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.536 -5.323 -4.727 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -1.804 -5.007 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.162 -4.407 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.595 -3.407 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.515 -2.663 -2.074 1.00 0.00 H new ATOM 2013 N LEU B 38 -6.008 -4.236 -4.144 1.00 0.00 N ATOM 2014 CA LEU B 38 -6.877 -5.335 -4.554 1.00 0.00 C ATOM 2015 C LEU B 38 -8.194 -4.788 -5.097 1.00 0.00 C ATOM 2016 O LEU B 38 -8.857 -5.430 -5.915 1.00 0.00 O ATOM 2017 CB LEU B 38 -7.171 -6.296 -3.392 1.00 0.00 C ATOM 2018 CG LEU B 38 -6.027 -7.226 -2.965 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -5.359 -7.862 -4.177 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -5.009 -6.491 -2.110 1.00 0.00 C ATOM 0 H LEU B 38 -5.970 -4.079 -3.137 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.353 -5.890 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.470 -5.704 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.027 -6.912 -3.667 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.458 -8.023 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.552 -8.516 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.093 -8.444 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -4.953 -7.081 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -4.212 -7.177 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -4.588 -5.662 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -5.496 -6.107 -1.214 1.00 0.00 H new ATOM 2032 N LYS B 39 -8.569 -3.602 -4.625 1.00 0.00 N ATOM 2033 CA LYS B 39 -9.793 -2.944 -5.056 1.00 0.00 C ATOM 2034 C LYS B 39 -9.696 -2.505 -6.512 1.00 0.00 C ATOM 2035 O LYS B 39 -10.537 -2.871 -7.338 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.090 -1.742 -4.155 1.00 0.00 C ATOM 2037 CG LYS B 39 -10.630 -2.127 -2.784 1.00 0.00 C ATOM 2038 CD LYS B 39 -11.998 -2.782 -2.894 1.00 0.00 C ATOM 2039 CE LYS B 39 -13.030 -1.817 -3.460 1.00 0.00 C ATOM 2040 NZ LYS B 39 -14.303 -2.497 -3.809 1.00 0.00 N ATOM 0 H LYS B 39 -8.033 -3.074 -3.936 1.00 0.00 H new ATOM 0 HA LYS B 39 -10.612 -3.659 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -9.177 -1.160 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -10.813 -1.095 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -9.935 -2.810 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -10.699 -1.239 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -11.932 -3.662 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -12.319 -3.125 -1.911 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -13.228 -1.031 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -12.623 -1.333 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -14.975 -1.801 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -14.120 -3.230 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -14.706 -2.937 -2.957 1.00 0.00 H new ATOM 2054 N THR B 40 -8.667 -1.725 -6.825 1.00 0.00 N ATOM 2055 CA THR B 40 -8.443 -1.270 -8.185 1.00 0.00 C ATOM 2056 C THR B 40 -7.138 -0.490 -8.293 1.00 0.00 C ATOM 2057 O THR B 40 -7.095 0.736 -8.214 1.00 0.00 O ATOM 2058 CB THR B 40 -9.636 -0.447 -8.733 1.00 0.00 C ATOM 2059 OG1 THR B 40 -9.374 -0.009 -10.069 1.00 0.00 O ATOM 2060 CG2 THR B 40 -9.971 0.748 -7.846 1.00 0.00 C ATOM 0 H THR B 40 -7.976 -1.396 -6.151 1.00 0.00 H new ATOM 0 HA THR B 40 -8.360 -2.159 -8.810 1.00 0.00 H new ATOM 0 HB THR B 40 -10.503 -1.107 -8.734 1.00 0.00 H new ATOM 0 HG1 THR B 40 -9.536 0.955 -10.135 1.00 0.00 H new ATOM 0 HG21 THR B 40 -10.813 1.293 -8.272 1.00 0.00 H new ATOM 0 HG22 THR B 40 -10.233 0.398 -6.848 1.00 0.00 H new ATOM 0 HG23 THR B 40 -9.106 1.408 -7.783 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.061 -1.232 -8.431 1.00 0.00 N ATOM 2069 CA ALA B 41 -4.748 -0.641 -8.633 1.00 0.00 C ATOM 2070 C ALA B 41 -4.234 -0.972 -10.021 1.00 0.00 C ATOM 2071 O ALA B 41 -3.612 -0.143 -10.671 1.00 0.00 O ATOM 2072 CB ALA B 41 -3.764 -1.123 -7.579 1.00 0.00 C ATOM 0 H ALA B 41 -6.065 -2.252 -8.407 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.843 0.441 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.790 -0.665 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.124 -0.842 -6.589 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.671 -2.207 -7.637 1.00 0.00 H new ATOM 2078 N ILE B 42 -4.510 -2.187 -10.473 1.00 0.00 N ATOM 2079 CA ILE B 42 -4.061 -2.635 -11.783 1.00 0.00 C ATOM 2080 C ILE B 42 -4.847 -1.916 -12.874 1.00 0.00 C ATOM 2081 O ILE B 42 -6.065 -1.763 -12.764 1.00 0.00 O ATOM 2082 CB ILE B 42 -4.228 -4.161 -11.946 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -3.640 -4.890 -10.736 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -3.554 -4.629 -13.231 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -3.869 -6.386 -10.759 1.00 0.00 C ATOM 0 H ILE B 42 -5.044 -2.881 -9.950 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.001 -2.397 -11.873 1.00 0.00 H new ATOM 0 HB ILE B 42 -5.291 -4.394 -12.007 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.568 -4.696 -10.691 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.077 -4.478 -9.827 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -3.678 -5.707 -13.335 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -4.010 -4.127 -14.085 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -2.492 -4.388 -13.193 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.425 -6.836 -9.871 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.940 -6.590 -10.773 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.407 -6.811 -11.650 1.00 0.00 H new ATOM 2097 N GLU B 43 -4.154 -1.470 -13.913 1.00 0.00 N ATOM 2098 CA GLU B 43 -4.796 -0.724 -14.983 1.00 0.00 C ATOM 2099 C GLU B 43 -4.682 -1.479 -16.299 1.00 0.00 C ATOM 2100 O GLU B 43 -3.707 -2.201 -16.537 1.00 0.00 O ATOM 2101 CB GLU B 43 -4.174 0.669 -15.116 1.00 0.00 C ATOM 2102 CG GLU B 43 -4.960 1.606 -16.023 1.00 0.00 C ATOM 2103 CD GLU B 43 -6.387 1.798 -15.551 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -7.229 0.916 -15.806 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -6.675 2.820 -14.892 1.00 0.00 O ATOM 0 H GLU B 43 -3.151 -1.612 -14.036 1.00 0.00 H new ATOM 0 HA GLU B 43 -5.852 -0.610 -14.736 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -4.095 1.118 -14.126 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -3.160 0.569 -15.503 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.460 2.573 -16.064 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.965 1.207 -17.037 1.00 0.00 H new ATOM 2112 N ILE B 44 -5.688 -1.319 -17.144 1.00 0.00 N ATOM 2113 CA ILE B 44 -5.715 -1.970 -18.434 1.00 0.00 C ATOM 2114 C ILE B 44 -5.458 -0.972 -19.560 1.00 0.00 C ATOM 2115 O ILE B 44 -6.180 0.014 -19.705 1.00 0.00 O ATOM 2116 CB ILE B 44 -7.068 -2.675 -18.684 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -8.242 -1.762 -18.300 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -7.137 -3.991 -17.924 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -9.603 -2.353 -18.604 1.00 0.00 C ATOM 0 H ILE B 44 -6.503 -0.736 -16.952 1.00 0.00 H new ATOM 0 HA ILE B 44 -4.922 -2.717 -18.426 1.00 0.00 H new ATOM 0 HB ILE B 44 -7.145 -2.892 -19.749 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -8.183 -1.539 -17.235 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -8.141 -0.815 -18.830 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -8.097 -4.471 -18.114 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -6.332 -4.646 -18.257 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -7.031 -3.800 -16.856 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -10.380 -1.650 -18.305 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -9.684 -2.550 -19.673 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -9.726 -3.285 -18.053 1.00 0.00 H new ATOM 2131 N VAL B 45 -4.424 -1.222 -20.349 1.00 0.00 N ATOM 2132 CA VAL B 45 -4.184 -0.421 -21.536 1.00 0.00 C ATOM 2133 C VAL B 45 -4.958 -1.017 -22.703 1.00 0.00 C ATOM 2134 O VAL B 45 -4.730 -2.163 -23.103 1.00 0.00 O ATOM 2135 CB VAL B 45 -2.678 -0.289 -21.875 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -1.990 0.603 -20.856 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -1.992 -1.646 -21.928 1.00 0.00 C ATOM 0 H VAL B 45 -3.745 -1.966 -20.190 1.00 0.00 H new ATOM 0 HA VAL B 45 -4.536 0.591 -21.338 1.00 0.00 H new ATOM 0 HB VAL B 45 -2.599 0.162 -22.864 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -0.932 0.689 -21.103 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -2.448 1.592 -20.870 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -2.096 0.169 -19.862 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -0.937 -1.511 -22.168 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -2.084 -2.138 -20.960 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -2.463 -2.262 -22.694 1.00 0.00 H new ATOM 2147 N SER B 46 -5.909 -0.260 -23.205 1.00 0.00 N ATOM 2148 CA SER B 46 -6.822 -0.753 -24.215 1.00 0.00 C ATOM 2149 C SER B 46 -6.328 -0.454 -25.629 1.00 0.00 C ATOM 2150 O SER B 46 -5.488 0.430 -25.837 1.00 0.00 O ATOM 2151 CB SER B 46 -8.192 -0.121 -23.986 1.00 0.00 C ATOM 2152 OG SER B 46 -8.069 1.266 -23.710 1.00 0.00 O ATOM 0 H SER B 46 -6.071 0.708 -22.928 1.00 0.00 H new ATOM 0 HA SER B 46 -6.886 -1.837 -24.126 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.816 -0.267 -24.868 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.692 -0.618 -23.155 1.00 0.00 H new ATOM 0 HG SER B 46 -8.959 1.651 -23.568 1.00 0.00 H new ATOM 2158 N GLU B 47 -6.844 -1.208 -26.592 1.00 0.00 N ATOM 2159 CA GLU B 47 -6.579 -0.932 -28.000 1.00 0.00 C ATOM 2160 C GLU B 47 -7.325 0.318 -28.448 1.00 0.00 C ATOM 2161 O GLU B 47 -8.166 0.844 -27.719 1.00 0.00 O ATOM 2162 CB GLU B 47 -6.976 -2.103 -28.896 1.00 0.00 C ATOM 2163 CG GLU B 47 -5.984 -3.251 -28.887 1.00 0.00 C ATOM 2164 CD GLU B 47 -6.289 -4.277 -29.956 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -7.358 -4.917 -29.885 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -5.459 -4.447 -30.874 1.00 0.00 O ATOM 0 H GLU B 47 -7.447 -2.014 -26.425 1.00 0.00 H new ATOM 0 HA GLU B 47 -5.505 -0.776 -28.097 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -7.950 -2.476 -28.579 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -7.090 -1.743 -29.918 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.977 -2.861 -29.037 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -5.997 -3.733 -27.909 1.00 0.00 H new ATOM 2173 N GLU B 48 -7.021 0.779 -29.649 1.00 0.00 N ATOM 2174 CA GLU B 48 -7.653 1.967 -30.201 1.00 0.00 C ATOM 2175 C GLU B 48 -9.137 1.726 -30.449 1.00 0.00 C ATOM 2176 O GLU B 48 -9.965 2.602 -30.215 1.00 0.00 O ATOM 2177 CB GLU B 48 -6.948 2.372 -31.492 1.00 0.00 C ATOM 2178 CG GLU B 48 -5.501 2.782 -31.274 1.00 0.00 C ATOM 2179 CD GLU B 48 -4.695 2.782 -32.553 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -4.769 3.768 -33.313 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -3.982 1.785 -32.807 1.00 0.00 O ATOM 0 H GLU B 48 -6.334 0.345 -30.266 1.00 0.00 H new ATOM 0 HA GLU B 48 -7.564 2.780 -29.480 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -6.982 1.540 -32.195 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -7.489 3.199 -31.951 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -5.473 3.778 -30.832 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -5.039 2.102 -30.558 1.00 0.00 H new ATOM 2188 N ASP B 49 -9.466 0.532 -30.913 1.00 0.00 N ATOM 2189 CA ASP B 49 -10.861 0.160 -31.120 1.00 0.00 C ATOM 2190 C ASP B 49 -11.438 -0.425 -29.841 1.00 0.00 C ATOM 2191 O ASP B 49 -12.498 -0.008 -29.375 1.00 0.00 O ATOM 2192 CB ASP B 49 -10.984 -0.859 -32.254 1.00 0.00 C ATOM 2193 CG ASP B 49 -12.422 -1.232 -32.560 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -12.985 -2.092 -31.850 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -12.986 -0.685 -33.531 1.00 0.00 O ATOM 0 H ASP B 49 -8.792 -0.195 -31.153 1.00 0.00 H new ATOM 0 HA ASP B 49 -11.420 1.056 -31.392 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -10.520 -0.452 -33.153 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -10.429 -1.759 -31.989 1.00 0.00 H new ATOM 2200 N GLY B 50 -10.728 -1.389 -29.277 1.00 0.00 N ATOM 2201 CA GLY B 50 -11.166 -2.008 -28.046 1.00 0.00 C ATOM 2202 C GLY B 50 -9.998 -2.483 -27.213 1.00 0.00 C ATOM 2203 O GLY B 50 -9.553 -1.782 -26.309 1.00 0.00 O ATOM 0 H GLY B 50 -9.853 -1.755 -29.652 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -11.757 -1.296 -27.471 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -11.817 -2.852 -28.274 1.00 0.00 H new ATOM 2207 N GLY B 51 -9.479 -3.662 -27.552 1.00 0.00 N ATOM 2208 CA GLY B 51 -8.380 -4.256 -26.838 1.00 0.00 C ATOM 2209 C GLY B 51 -8.600 -4.394 -25.356 1.00 0.00 C ATOM 2210 O GLY B 51 -9.685 -4.126 -24.834 1.00 0.00 O ATOM 0 H GLY B 51 -9.818 -4.223 -28.333 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -8.182 -5.243 -27.257 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -7.487 -3.654 -27.005 1.00 0.00 H new ATOM 2214 N ALA B 52 -7.544 -4.849 -24.711 1.00 0.00 N ATOM 2215 CA ALA B 52 -7.441 -4.900 -23.257 1.00 0.00 C ATOM 2216 C ALA B 52 -6.177 -5.646 -22.833 1.00 0.00 C ATOM 2217 O ALA B 52 -6.123 -6.877 -22.881 1.00 0.00 O ATOM 2218 CB ALA B 52 -8.660 -5.558 -22.619 1.00 0.00 C ATOM 0 H ALA B 52 -6.714 -5.202 -25.188 1.00 0.00 H new ATOM 0 HA ALA B 52 -7.391 -3.869 -22.906 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -8.540 -5.574 -21.536 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -9.555 -4.992 -22.876 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -8.757 -6.579 -22.988 1.00 0.00 H new ATOM 2224 N HIS B 53 -5.149 -4.905 -22.447 1.00 0.00 N ATOM 2225 CA HIS B 53 -3.930 -5.505 -21.918 1.00 0.00 C ATOM 2226 C HIS B 53 -3.772 -5.151 -20.445 1.00 0.00 C ATOM 2227 O HIS B 53 -3.520 -4.001 -20.094 1.00 0.00 O ATOM 2228 CB HIS B 53 -2.703 -5.052 -22.711 1.00 0.00 C ATOM 2229 CG HIS B 53 -2.530 -5.800 -23.997 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -1.575 -6.772 -24.171 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -3.208 -5.731 -25.166 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -1.678 -7.274 -25.382 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -2.660 -6.659 -26.013 1.00 0.00 N ATOM 0 H HIS B 53 -5.133 -3.886 -22.490 1.00 0.00 H new ATOM 0 HA HIS B 53 -4.010 -6.588 -22.017 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -2.788 -3.987 -22.925 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -1.812 -5.183 -22.098 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -4.030 -5.067 -25.390 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -1.061 -8.060 -25.792 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -2.961 -6.843 -26.970 1.00 0.00 H new ATOM 2242 N ASN B 54 -3.929 -6.150 -19.590 1.00 0.00 N ATOM 2243 CA ASN B 54 -3.875 -5.946 -18.148 1.00 0.00 C ATOM 2244 C ASN B 54 -2.494 -6.313 -17.635 1.00 0.00 C ATOM 2245 O ASN B 54 -2.153 -7.487 -17.563 1.00 0.00 O ATOM 2246 CB ASN B 54 -4.938 -6.812 -17.461 1.00 0.00 C ATOM 2247 CG ASN B 54 -4.973 -6.633 -15.952 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -5.711 -5.799 -15.433 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -4.181 -7.422 -15.236 1.00 0.00 N ATOM 0 H ASN B 54 -4.096 -7.116 -19.871 1.00 0.00 H new ATOM 0 HA ASN B 54 -4.074 -4.898 -17.923 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -5.917 -6.568 -17.872 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -4.748 -7.860 -17.692 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -4.172 -7.347 -14.219 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -3.582 -8.103 -15.703 1.00 0.00 H new ATOM 2256 N GLN B 55 -1.701 -5.314 -17.283 1.00 0.00 N ATOM 2257 CA GLN B 55 -0.321 -5.549 -16.875 1.00 0.00 C ATOM 2258 C GLN B 55 -0.060 -4.890 -15.525 1.00 0.00 C ATOM 2259 O GLN B 55 -0.624 -3.837 -15.230 1.00 0.00 O ATOM 2260 CB GLN B 55 0.645 -4.981 -17.916 1.00 0.00 C ATOM 2261 CG GLN B 55 0.493 -5.603 -19.291 1.00 0.00 C ATOM 2262 CD GLN B 55 1.455 -5.015 -20.303 1.00 0.00 C ATOM 2263 OE1 GLN B 55 2.572 -5.503 -20.471 1.00 0.00 O ATOM 2264 NE2 GLN B 55 1.033 -3.959 -20.981 1.00 0.00 N ATOM 0 H GLN B 55 -1.986 -4.335 -17.271 1.00 0.00 H new ATOM 0 HA GLN B 55 -0.161 -6.624 -16.791 1.00 0.00 H new ATOM 0 HB2 GLN B 55 0.490 -3.905 -17.994 1.00 0.00 H new ATOM 0 HB3 GLN B 55 1.668 -5.131 -17.570 1.00 0.00 H new ATOM 0 HG2 GLN B 55 0.658 -6.678 -19.220 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -0.529 -5.459 -19.640 1.00 0.00 H new ATOM 0 HE21 GLN B 55 0.099 -3.584 -20.812 1.00 0.00 H new ATOM 0 HE22 GLN B 55 1.641 -3.520 -21.672 1.00 0.00 H new ATOM 2273 N CYS B 56 0.793 -5.494 -14.714 1.00 0.00 N ATOM 2274 CA CYS B 56 1.098 -4.938 -13.397 1.00 0.00 C ATOM 2275 C CYS B 56 2.445 -4.221 -13.404 1.00 0.00 C ATOM 2276 O CYS B 56 3.428 -4.736 -13.936 1.00 0.00 O ATOM 2277 CB CYS B 56 1.085 -6.038 -12.339 1.00 0.00 C ATOM 2278 SG CYS B 56 -0.488 -6.922 -12.231 1.00 0.00 S ATOM 0 H CYS B 56 1.284 -6.360 -14.937 1.00 0.00 H new ATOM 0 HA CYS B 56 0.328 -4.207 -13.151 1.00 0.00 H new ATOM 0 HB2 CYS B 56 1.879 -6.752 -12.560 1.00 0.00 H new ATOM 0 HB3 CYS B 56 1.312 -5.599 -11.368 1.00 0.00 H new ATOM 0 HG CYS B 56 -0.471 -7.939 -13.040 1.00 0.00 H new ATOM 2284 N LYS B 57 2.484 -3.045 -12.778 1.00 0.00 N ATOM 2285 CA LYS B 57 3.669 -2.181 -12.793 1.00 0.00 C ATOM 2286 C LYS B 57 4.732 -2.617 -11.783 1.00 0.00 C ATOM 2287 O LYS B 57 5.575 -1.813 -11.384 1.00 0.00 O ATOM 2288 CB LYS B 57 3.266 -0.735 -12.491 1.00 0.00 C ATOM 2289 CG LYS B 57 2.409 -0.082 -13.563 1.00 0.00 C ATOM 2290 CD LYS B 57 3.148 0.009 -14.887 1.00 0.00 C ATOM 2291 CE LYS B 57 2.631 -1.003 -15.892 1.00 0.00 C ATOM 2292 NZ LYS B 57 1.228 -0.721 -16.293 1.00 0.00 N ATOM 0 H LYS B 57 1.700 -2.664 -12.248 1.00 0.00 H new ATOM 0 HA LYS B 57 4.101 -2.262 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS B 57 2.723 -0.712 -11.546 1.00 0.00 H new ATOM 0 HB3 LYS B 57 4.169 -0.141 -12.354 1.00 0.00 H new ATOM 0 HG2 LYS B 57 1.491 -0.655 -13.696 1.00 0.00 H new ATOM 0 HG3 LYS B 57 2.117 0.917 -13.239 1.00 0.00 H new ATOM 0 HD2 LYS B 57 3.040 1.014 -15.295 1.00 0.00 H new ATOM 0 HD3 LYS B 57 4.213 -0.155 -14.721 1.00 0.00 H new ATOM 0 HE2 LYS B 57 3.269 -0.995 -16.776 1.00 0.00 H new ATOM 0 HE3 LYS B 57 2.692 -2.003 -15.463 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 1.118 -0.890 -17.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 0.584 -1.346 -15.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 0.999 0.271 -16.080 1.00 0.00 H new ATOM 2306 N LEU B 58 4.711 -3.877 -11.376 1.00 0.00 N ATOM 2307 CA LEU B 58 5.677 -4.358 -10.397 1.00 0.00 C ATOM 2308 C LEU B 58 6.761 -5.203 -11.059 1.00 0.00 C ATOM 2309 O LEU B 58 7.756 -4.673 -11.553 1.00 0.00 O ATOM 2310 CB LEU B 58 4.996 -5.157 -9.275 1.00 0.00 C ATOM 2311 CG LEU B 58 4.098 -4.349 -8.330 1.00 0.00 C ATOM 2312 CD1 LEU B 58 2.759 -4.032 -8.979 1.00 0.00 C ATOM 2313 CD2 LEU B 58 3.896 -5.107 -7.029 1.00 0.00 C ATOM 0 H LEU B 58 4.046 -4.578 -11.702 1.00 0.00 H new ATOM 0 HA LEU B 58 6.145 -3.479 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU B 58 4.397 -5.946 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU B 58 5.769 -5.645 -8.682 1.00 0.00 H new ATOM 0 HG LEU B 58 4.593 -3.402 -8.114 1.00 0.00 H new ATOM 0 HD11 LEU B 58 2.145 -3.459 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU B 58 2.923 -3.449 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.249 -4.961 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.257 -4.525 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU B 58 3.424 -6.067 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU B 58 4.861 -5.273 -6.551 1.00 0.00 H new ATOM 2325 N CYS B 59 6.545 -6.510 -11.099 1.00 0.00 N ATOM 2326 CA CYS B 59 7.531 -7.444 -11.628 1.00 0.00 C ATOM 2327 C CYS B 59 7.313 -7.697 -13.114 1.00 0.00 C ATOM 2328 O CYS B 59 8.008 -8.512 -13.723 1.00 0.00 O ATOM 2329 CB CYS B 59 7.446 -8.762 -10.859 1.00 0.00 C ATOM 2330 SG CYS B 59 5.769 -9.428 -10.741 1.00 0.00 S ATOM 0 H CYS B 59 5.687 -6.952 -10.768 1.00 0.00 H new ATOM 0 HA CYS B 59 8.521 -7.005 -11.504 1.00 0.00 H new ATOM 0 HB2 CYS B 59 8.086 -9.498 -11.345 1.00 0.00 H new ATOM 0 HB3 CYS B 59 7.839 -8.612 -9.854 1.00 0.00 H new ATOM 0 HG CYS B 59 5.546 -10.223 -11.745 1.00 0.00 H new ATOM 2336 N GLY B 60 6.353 -6.993 -13.693 1.00 0.00 N ATOM 2337 CA GLY B 60 6.022 -7.212 -15.085 1.00 0.00 C ATOM 2338 C GLY B 60 4.993 -8.311 -15.254 1.00 0.00 C ATOM 2339 O GLY B 60 5.098 -9.140 -16.161 1.00 0.00 O ATOM 0 H GLY B 60 5.798 -6.276 -13.226 1.00 0.00 H new ATOM 0 HA2 GLY B 60 5.640 -6.287 -15.517 1.00 0.00 H new ATOM 0 HA3 GLY B 60 6.925 -7.472 -15.637 1.00 0.00 H new ATOM 2343 N ALA B 61 4.002 -8.328 -14.366 1.00 0.00 N ATOM 2344 CA ALA B 61 2.924 -9.306 -14.444 1.00 0.00 C ATOM 2345 C ALA B 61 2.127 -9.093 -15.720 1.00 0.00 C ATOM 2346 O ALA B 61 1.932 -7.955 -16.155 1.00 0.00 O ATOM 2347 CB ALA B 61 2.023 -9.228 -13.222 1.00 0.00 C ATOM 0 H ALA B 61 3.925 -7.676 -13.586 1.00 0.00 H new ATOM 0 HA ALA B 61 3.361 -10.304 -14.464 1.00 0.00 H new ATOM 0 HB1 ALA B 61 1.228 -9.969 -13.308 1.00 0.00 H new ATOM 0 HB2 ALA B 61 2.609 -9.427 -12.325 1.00 0.00 H new ATOM 0 HB3 ALA B 61 1.585 -8.232 -13.156 1.00 0.00 H new ATOM 2353 N SER B 62 1.649 -10.183 -16.296 1.00 0.00 N ATOM 2354 CA SER B 62 1.121 -10.155 -17.645 1.00 0.00 C ATOM 2355 C SER B 62 -0.410 -10.100 -17.657 1.00 0.00 C ATOM 2356 O SER B 62 -1.057 -9.945 -16.617 1.00 0.00 O ATOM 2357 CB SER B 62 1.635 -11.386 -18.413 1.00 0.00 C ATOM 2358 OG SER B 62 1.364 -11.302 -19.806 1.00 0.00 O ATOM 0 H SER B 62 1.617 -11.099 -15.848 1.00 0.00 H new ATOM 0 HA SER B 62 1.470 -9.247 -18.137 1.00 0.00 H new ATOM 0 HB2 SER B 62 2.709 -11.485 -18.259 1.00 0.00 H new ATOM 0 HB3 SER B 62 1.170 -12.285 -18.008 1.00 0.00 H new ATOM 0 HG SER B 62 0.727 -12.002 -20.058 1.00 0.00 H new ATOM 2364 N VAL B 63 -0.963 -10.271 -18.846 1.00 0.00 N ATOM 2365 CA VAL B 63 -2.379 -10.089 -19.113 1.00 0.00 C ATOM 2366 C VAL B 63 -3.144 -11.408 -19.037 1.00 0.00 C ATOM 2367 O VAL B 63 -2.825 -12.362 -19.736 1.00 0.00 O ATOM 2368 CB VAL B 63 -2.565 -9.514 -20.535 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -4.032 -9.286 -20.857 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -1.761 -8.241 -20.714 1.00 0.00 C ATOM 0 H VAL B 63 -0.428 -10.546 -19.670 1.00 0.00 H new ATOM 0 HA VAL B 63 -2.769 -9.409 -18.356 1.00 0.00 H new ATOM 0 HB VAL B 63 -2.188 -10.253 -21.242 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -4.125 -8.881 -21.865 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -4.569 -10.232 -20.795 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -4.456 -8.581 -20.142 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -1.909 -7.856 -21.723 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -2.092 -7.497 -19.990 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -0.703 -8.454 -20.558 1.00 0.00 H new ATOM 2380 N PRO B 64 -4.170 -11.473 -18.174 1.00 0.00 N ATOM 2381 CA PRO B 64 -5.040 -12.640 -18.063 1.00 0.00 C ATOM 2382 C PRO B 64 -6.241 -12.567 -19.008 1.00 0.00 C ATOM 2383 O PRO B 64 -7.129 -13.420 -18.967 1.00 0.00 O ATOM 2384 CB PRO B 64 -5.495 -12.566 -16.610 1.00 0.00 C ATOM 2385 CG PRO B 64 -5.553 -11.105 -16.304 1.00 0.00 C ATOM 2386 CD PRO B 64 -4.547 -10.426 -17.208 1.00 0.00 C ATOM 0 HA PRO B 64 -4.535 -13.568 -18.332 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -6.468 -13.038 -16.476 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -4.797 -13.081 -15.950 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -6.555 -10.713 -16.479 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -5.317 -10.920 -15.256 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -4.981 -9.560 -17.708 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -3.683 -10.071 -16.647 1.00 0.00 H new ATOM 2394 N TRP B 65 -6.265 -11.539 -19.853 1.00 0.00 N ATOM 2395 CA TRP B 65 -7.380 -11.319 -20.771 1.00 0.00 C ATOM 2396 C TRP B 65 -7.297 -12.279 -21.965 1.00 0.00 C ATOM 2397 O TRP B 65 -6.471 -13.194 -21.984 1.00 0.00 O ATOM 2398 CB TRP B 65 -7.383 -9.855 -21.238 1.00 0.00 C ATOM 2399 CG TRP B 65 -8.742 -9.338 -21.605 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -9.238 -9.150 -22.862 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -9.776 -8.929 -20.700 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -10.518 -8.657 -22.796 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -10.871 -8.512 -21.480 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -9.884 -8.876 -19.306 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -12.054 -8.047 -20.915 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -11.061 -8.417 -18.746 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -12.133 -8.009 -19.549 1.00 0.00 C ATOM 0 H TRP B 65 -5.522 -10.843 -19.921 1.00 0.00 H new ATOM 0 HA TRP B 65 -8.316 -11.522 -20.250 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -6.969 -9.230 -20.447 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -6.723 -9.757 -22.100 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -8.702 -9.359 -23.776 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -11.110 -8.435 -23.597 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -9.062 -9.188 -18.679 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -12.881 -7.727 -21.532 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -11.156 -8.372 -17.671 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -13.041 -7.657 -19.081 1.00 0.00 H new ATOM 2418 N LEU B 66 -8.152 -12.061 -22.957 1.00 0.00 N ATOM 2419 CA LEU B 66 -8.274 -12.966 -24.101 1.00 0.00 C ATOM 2420 C LEU B 66 -7.116 -12.804 -25.089 1.00 0.00 C ATOM 2421 O LEU B 66 -6.975 -13.596 -26.022 1.00 0.00 O ATOM 2422 CB LEU B 66 -9.600 -12.717 -24.820 1.00 0.00 C ATOM 2423 CG LEU B 66 -10.851 -12.816 -23.944 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -12.093 -12.478 -24.754 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -10.970 -14.205 -23.333 1.00 0.00 C ATOM 0 H LEU B 66 -8.779 -11.257 -22.994 1.00 0.00 H new ATOM 0 HA LEU B 66 -8.242 -13.986 -23.717 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -9.569 -11.724 -25.269 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -9.691 -13.433 -25.636 1.00 0.00 H new ATOM 0 HG LEU B 66 -10.762 -12.094 -23.132 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -12.974 -12.553 -24.117 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -12.010 -11.462 -25.141 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -12.186 -13.176 -25.586 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -11.866 -14.255 -22.714 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -11.037 -14.948 -24.128 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -10.093 -14.409 -22.719 1.00 0.00 H new ATOM 2437 N GLN B 67 -6.299 -11.780 -24.890 1.00 0.00 N ATOM 2438 CA GLN B 67 -5.141 -11.550 -25.746 1.00 0.00 C ATOM 2439 C GLN B 67 -4.015 -12.526 -25.404 1.00 0.00 C ATOM 2440 O GLN B 67 -4.227 -13.503 -24.682 1.00 0.00 O ATOM 2441 CB GLN B 67 -4.650 -10.107 -25.591 1.00 0.00 C ATOM 2442 CG GLN B 67 -5.656 -9.057 -26.048 1.00 0.00 C ATOM 2443 CD GLN B 67 -6.037 -9.185 -27.516 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -7.156 -8.851 -27.905 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -5.111 -9.648 -28.343 1.00 0.00 N ATOM 0 H GLN B 67 -6.415 -11.094 -24.144 1.00 0.00 H new ATOM 0 HA GLN B 67 -5.439 -11.715 -26.781 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -4.404 -9.928 -24.544 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.729 -9.985 -26.160 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -6.556 -9.137 -25.438 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -5.240 -8.065 -25.873 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -4.194 -9.915 -27.984 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -5.315 -9.737 -29.338 1.00 0.00 H new ATOM 2454 N THR B 68 -2.828 -12.275 -25.934 1.00 0.00 N ATOM 2455 CA THR B 68 -1.676 -13.100 -25.628 1.00 0.00 C ATOM 2456 C THR B 68 -1.210 -12.855 -24.197 1.00 0.00 C ATOM 2457 O THR B 68 -0.458 -11.920 -23.917 1.00 0.00 O ATOM 2458 CB THR B 68 -0.515 -12.835 -26.597 1.00 0.00 C ATOM 2459 OG1 THR B 68 -0.961 -13.003 -27.949 1.00 0.00 O ATOM 2460 CG2 THR B 68 0.649 -13.778 -26.328 1.00 0.00 C ATOM 0 H THR B 68 -2.640 -11.506 -26.578 1.00 0.00 H new ATOM 0 HA THR B 68 -1.984 -14.140 -25.739 1.00 0.00 H new ATOM 0 HB THR B 68 -0.174 -11.811 -26.445 1.00 0.00 H new ATOM 0 HG1 THR B 68 -0.217 -12.831 -28.563 1.00 0.00 H new ATOM 0 HG21 THR B 68 1.457 -13.568 -27.029 1.00 0.00 H new ATOM 0 HG22 THR B 68 1.006 -13.633 -25.308 1.00 0.00 H new ATOM 0 HG23 THR B 68 0.319 -14.809 -26.454 1.00 0.00 H new ATOM 2468 N GLY B 69 -1.707 -13.677 -23.298 1.00 0.00 N ATOM 2469 CA GLY B 69 -1.336 -13.587 -21.906 1.00 0.00 C ATOM 2470 C GLY B 69 -1.366 -14.941 -21.244 1.00 0.00 C ATOM 2471 O GLY B 69 -2.437 -15.521 -21.054 1.00 0.00 O ATOM 0 H GLY B 69 -2.373 -14.419 -23.510 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -0.337 -13.160 -21.820 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -2.017 -12.911 -21.389 1.00 0.00 H new ATOM 2543 N HIS B 74 5.189 -13.298 -11.772 1.00 0.00 N ATOM 2544 CA HIS B 74 4.931 -12.732 -10.461 1.00 0.00 C ATOM 2545 C HIS B 74 6.044 -13.109 -9.498 1.00 0.00 C ATOM 2546 O HIS B 74 6.305 -14.289 -9.253 1.00 0.00 O ATOM 2547 CB HIS B 74 3.556 -13.164 -9.921 1.00 0.00 C ATOM 2548 CG HIS B 74 3.410 -14.632 -9.642 1.00 0.00 C ATOM 2549 ND1 HIS B 74 3.484 -15.168 -8.373 1.00 0.00 N ATOM 2550 CD2 HIS B 74 3.172 -15.675 -10.472 1.00 0.00 C ATOM 2551 CE1 HIS B 74 3.297 -16.472 -8.436 1.00 0.00 C ATOM 2552 NE2 HIS B 74 3.107 -16.806 -9.697 1.00 0.00 N ATOM 0 HA HIS B 74 4.911 -11.646 -10.557 1.00 0.00 H new ATOM 0 HB2 HIS B 74 3.356 -12.614 -9.001 1.00 0.00 H new ATOM 0 HB3 HIS B 74 2.792 -12.870 -10.641 1.00 0.00 H new ATOM 0 HD2 HIS B 74 3.055 -15.626 -11.545 1.00 0.00 H new ATOM 0 HE1 HIS B 74 3.299 -17.151 -7.596 1.00 0.00 H new ATOM 0 HE2 HIS B 74 2.939 -17.751 -10.041 1.00 0.00 H new ATOM 2561 N ALA B 75 6.719 -12.098 -8.983 1.00 0.00 N ATOM 2562 CA ALA B 75 7.782 -12.306 -8.027 1.00 0.00 C ATOM 2563 C ALA B 75 7.205 -12.435 -6.629 1.00 0.00 C ATOM 2564 O ALA B 75 6.184 -11.824 -6.301 1.00 0.00 O ATOM 2565 CB ALA B 75 8.793 -11.172 -8.092 1.00 0.00 C ATOM 0 H ALA B 75 6.546 -11.120 -9.215 1.00 0.00 H new ATOM 0 HA ALA B 75 8.301 -13.232 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA B 75 9.585 -11.348 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA B 75 9.223 -11.125 -9.092 1.00 0.00 H new ATOM 0 HB3 ALA B 75 8.296 -10.228 -7.866 1.00 0.00 H new ATOM 2571 N ASP B 76 7.857 -13.232 -5.813 1.00 0.00 N ATOM 2572 CA ASP B 76 7.398 -13.476 -4.457 1.00 0.00 C ATOM 2573 C ASP B 76 7.942 -12.393 -3.531 1.00 0.00 C ATOM 2574 O ASP B 76 7.630 -12.353 -2.343 1.00 0.00 O ATOM 2575 CB ASP B 76 7.853 -14.862 -3.995 1.00 0.00 C ATOM 2576 CG ASP B 76 6.898 -15.501 -3.006 1.00 0.00 C ATOM 2577 OD1 ASP B 76 5.880 -16.083 -3.451 1.00 0.00 O ATOM 2578 OD2 ASP B 76 7.175 -15.461 -1.789 1.00 0.00 O ATOM 0 H ASP B 76 8.713 -13.727 -6.064 1.00 0.00 H new ATOM 0 HA ASP B 76 6.309 -13.445 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP B 76 7.956 -15.512 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.839 -14.781 -3.538 1.00 0.00 H new ATOM 2583 N ASP B 77 8.775 -11.518 -4.094 1.00 0.00 N ATOM 2584 CA ASP B 77 9.341 -10.395 -3.346 1.00 0.00 C ATOM 2585 C ASP B 77 8.494 -9.144 -3.539 1.00 0.00 C ATOM 2586 O ASP B 77 8.742 -8.114 -2.915 1.00 0.00 O ATOM 2587 CB ASP B 77 10.775 -10.094 -3.798 1.00 0.00 C ATOM 2588 CG ASP B 77 11.712 -11.272 -3.639 1.00 0.00 C ATOM 2589 OD1 ASP B 77 11.916 -11.730 -2.498 1.00 0.00 O ATOM 2590 OD2 ASP B 77 12.259 -11.739 -4.664 1.00 0.00 O ATOM 0 H ASP B 77 9.074 -11.565 -5.068 1.00 0.00 H new ATOM 0 HA ASP B 77 9.350 -10.677 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.762 -9.787 -4.844 1.00 0.00 H new ATOM 0 HB3 ASP B 77 11.161 -9.252 -3.224 1.00 0.00 H new ATOM 2595 N CYS B 78 7.503 -9.235 -4.415 1.00 0.00 N ATOM 2596 CA CYS B 78 6.649 -8.097 -4.720 1.00 0.00 C ATOM 2597 C CYS B 78 5.827 -7.684 -3.507 1.00 0.00 C ATOM 2598 O CYS B 78 5.352 -8.530 -2.747 1.00 0.00 O ATOM 2599 CB CYS B 78 5.730 -8.418 -5.895 1.00 0.00 C ATOM 2600 SG CYS B 78 6.606 -8.635 -7.457 1.00 0.00 S ATOM 0 H CYS B 78 7.271 -10.086 -4.927 1.00 0.00 H new ATOM 0 HA CYS B 78 7.293 -7.261 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.172 -9.327 -5.671 1.00 0.00 H new ATOM 0 HB3 CYS B 78 5.001 -7.615 -6.005 1.00 0.00 H new ATOM 0 HG CYS B 78 5.752 -8.898 -8.401 1.00 0.00 H new ATOM 2606 N PRO B 79 5.648 -6.366 -3.317 1.00 0.00 N ATOM 2607 CA PRO B 79 4.893 -5.811 -2.186 1.00 0.00 C ATOM 2608 C PRO B 79 3.459 -6.330 -2.105 1.00 0.00 C ATOM 2609 O PRO B 79 2.810 -6.193 -1.078 1.00 0.00 O ATOM 2610 CB PRO B 79 4.898 -4.305 -2.452 1.00 0.00 C ATOM 2611 CG PRO B 79 6.081 -4.077 -3.322 1.00 0.00 C ATOM 2612 CD PRO B 79 6.194 -5.303 -4.180 1.00 0.00 C ATOM 0 HA PRO B 79 5.343 -6.096 -1.235 1.00 0.00 H new ATOM 0 HB2 PRO B 79 3.978 -3.987 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO B 79 4.975 -3.740 -1.523 1.00 0.00 H new ATOM 0 HG2 PRO B 79 5.953 -3.183 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO B 79 6.983 -3.931 -2.727 1.00 0.00 H new ATOM 0 HD2 PRO B 79 5.625 -5.202 -5.104 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.228 -5.504 -4.462 1.00 0.00 H new ATOM 2620 N VAL B 80 2.963 -6.916 -3.191 1.00 0.00 N ATOM 2621 CA VAL B 80 1.646 -7.545 -3.182 1.00 0.00 C ATOM 2622 C VAL B 80 1.646 -8.737 -2.229 1.00 0.00 C ATOM 2623 O VAL B 80 0.723 -8.918 -1.434 1.00 0.00 O ATOM 2624 CB VAL B 80 1.228 -8.019 -4.591 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.124 -8.719 -4.556 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.189 -6.850 -5.560 1.00 0.00 C ATOM 0 H VAL B 80 3.451 -6.968 -4.085 1.00 0.00 H new ATOM 0 HA VAL B 80 0.927 -6.797 -2.847 1.00 0.00 H new ATOM 0 HB VAL B 80 1.974 -8.735 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.393 -9.042 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.067 -9.587 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.881 -8.030 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL B 80 0.892 -7.205 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.469 -6.110 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.177 -6.394 -5.620 1.00 0.00 H new ATOM 2636 N VAL B 81 2.707 -9.532 -2.296 1.00 0.00 N ATOM 2637 CA VAL B 81 2.860 -10.682 -1.416 1.00 0.00 C ATOM 2638 C VAL B 81 3.096 -10.205 0.010 1.00 0.00 C ATOM 2639 O VAL B 81 2.569 -10.774 0.969 1.00 0.00 O ATOM 2640 CB VAL B 81 4.034 -11.584 -1.855 1.00 0.00 C ATOM 2641 CG1 VAL B 81 4.117 -12.835 -0.986 1.00 0.00 C ATOM 2642 CG2 VAL B 81 3.900 -11.956 -3.324 1.00 0.00 C ATOM 0 H VAL B 81 3.476 -9.400 -2.953 1.00 0.00 H new ATOM 0 HA VAL B 81 1.943 -11.269 -1.471 1.00 0.00 H new ATOM 0 HB VAL B 81 4.960 -11.024 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.952 -13.453 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL B 81 4.268 -12.546 0.054 1.00 0.00 H new ATOM 0 HG13 VAL B 81 3.190 -13.401 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL B 81 4.736 -12.592 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL B 81 2.964 -12.493 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.904 -11.050 -3.930 1.00 0.00 H new ATOM 2652 N ILE B 82 3.884 -9.144 0.132 1.00 0.00 N ATOM 2653 CA ILE B 82 4.157 -8.527 1.424 1.00 0.00 C ATOM 2654 C ILE B 82 2.866 -7.993 2.043 1.00 0.00 C ATOM 2655 O ILE B 82 2.584 -8.240 3.214 1.00 0.00 O ATOM 2656 CB ILE B 82 5.176 -7.371 1.290 1.00 0.00 C ATOM 2657 CG1 ILE B 82 6.479 -7.871 0.656 1.00 0.00 C ATOM 2658 CG2 ILE B 82 5.455 -6.735 2.646 1.00 0.00 C ATOM 2659 CD1 ILE B 82 7.181 -8.946 1.461 1.00 0.00 C ATOM 0 H ILE B 82 4.348 -8.690 -0.655 1.00 0.00 H new ATOM 0 HA ILE B 82 4.582 -9.294 2.071 1.00 0.00 H new ATOM 0 HB ILE B 82 4.743 -6.612 0.639 1.00 0.00 H new ATOM 0 HG12 ILE B 82 6.262 -8.260 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE B 82 7.156 -7.027 0.527 1.00 0.00 H new ATOM 0 HG21 ILE B 82 6.174 -5.925 2.527 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.528 -6.339 3.060 1.00 0.00 H new ATOM 0 HG23 ILE B 82 5.863 -7.486 3.323 1.00 0.00 H new ATOM 0 HD11 ILE B 82 8.094 -9.247 0.947 1.00 0.00 H new ATOM 0 HD12 ILE B 82 7.432 -8.556 2.448 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.523 -9.808 1.568 1.00 0.00 H new ATOM 2671 N ALA B 83 2.080 -7.276 1.238 1.00 0.00 N ATOM 2672 CA ALA B 83 0.813 -6.705 1.686 1.00 0.00 C ATOM 2673 C ALA B 83 -0.095 -7.775 2.274 1.00 0.00 C ATOM 2674 O ALA B 83 -0.693 -7.574 3.329 1.00 0.00 O ATOM 2675 CB ALA B 83 0.110 -6.004 0.535 1.00 0.00 C ATOM 0 H ALA B 83 2.304 -7.077 0.263 1.00 0.00 H new ATOM 0 HA ALA B 83 1.033 -5.976 2.466 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.833 -5.584 0.886 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.745 -5.204 0.154 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -0.087 -6.721 -0.262 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.188 -8.912 1.588 1.00 0.00 N ATOM 2682 CA LYS B 84 -0.986 -10.027 2.072 1.00 0.00 C ATOM 2683 C LYS B 84 -0.532 -10.445 3.464 1.00 0.00 C ATOM 2684 O LYS B 84 -1.340 -10.565 4.376 1.00 0.00 O ATOM 2685 CB LYS B 84 -0.889 -11.230 1.133 1.00 0.00 C ATOM 2686 CG LYS B 84 -1.436 -10.984 -0.262 1.00 0.00 C ATOM 2687 CD LYS B 84 -1.606 -12.293 -1.009 1.00 0.00 C ATOM 2688 CE LYS B 84 -2.076 -12.078 -2.438 1.00 0.00 C ATOM 2689 NZ LYS B 84 -2.505 -13.354 -3.072 1.00 0.00 N ATOM 0 H LYS B 84 0.280 -9.082 0.698 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.023 -9.692 2.109 1.00 0.00 H new ATOM 0 HB2 LYS B 84 0.156 -11.529 1.053 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -1.427 -12.067 1.578 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -2.395 -10.470 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -0.760 -10.330 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -0.658 -12.831 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -2.325 -12.920 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -2.905 -11.370 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -1.271 -11.633 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -2.819 -13.169 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -1.707 -14.020 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -3.290 -13.766 -2.527 1.00 0.00 H new ATOM 2703 N GLN B 85 0.771 -10.646 3.613 1.00 0.00 N ATOM 2704 CA GLN B 85 1.350 -11.082 4.872 1.00 0.00 C ATOM 2705 C GLN B 85 1.131 -10.052 5.985 1.00 0.00 C ATOM 2706 O GLN B 85 1.085 -10.403 7.164 1.00 0.00 O ATOM 2707 CB GLN B 85 2.838 -11.349 4.677 1.00 0.00 C ATOM 2708 CG GLN B 85 3.129 -12.503 3.729 1.00 0.00 C ATOM 2709 CD GLN B 85 4.609 -12.747 3.546 1.00 0.00 C ATOM 2710 OE1 GLN B 85 5.218 -13.525 4.278 1.00 0.00 O ATOM 2711 NE2 GLN B 85 5.199 -12.080 2.568 1.00 0.00 N ATOM 0 H GLN B 85 1.452 -10.511 2.866 1.00 0.00 H new ATOM 0 HA GLN B 85 0.850 -12.000 5.181 1.00 0.00 H new ATOM 0 HB2 GLN B 85 3.314 -10.446 4.294 1.00 0.00 H new ATOM 0 HB3 GLN B 85 3.291 -11.562 5.645 1.00 0.00 H new ATOM 0 HG2 GLN B 85 2.660 -13.409 4.112 1.00 0.00 H new ATOM 0 HG3 GLN B 85 2.676 -12.295 2.760 1.00 0.00 H new ATOM 0 HE21 GLN B 85 4.656 -11.444 1.984 1.00 0.00 H new ATOM 0 HE22 GLN B 85 6.197 -12.201 2.398 1.00 0.00 H new ATOM 2720 N ILE B 86 1.015 -8.788 5.604 1.00 0.00 N ATOM 2721 CA ILE B 86 0.742 -7.720 6.561 1.00 0.00 C ATOM 2722 C ILE B 86 -0.723 -7.734 6.998 1.00 0.00 C ATOM 2723 O ILE B 86 -1.030 -7.652 8.187 1.00 0.00 O ATOM 2724 CB ILE B 86 1.091 -6.331 5.975 1.00 0.00 C ATOM 2725 CG1 ILE B 86 2.585 -6.253 5.648 1.00 0.00 C ATOM 2726 CG2 ILE B 86 0.700 -5.227 6.949 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.997 -4.953 4.989 1.00 0.00 C ATOM 0 H ILE B 86 1.105 -8.474 4.638 1.00 0.00 H new ATOM 0 HA ILE B 86 1.375 -7.902 7.429 1.00 0.00 H new ATOM 0 HB ILE B 86 0.526 -6.191 5.053 1.00 0.00 H new ATOM 0 HG12 ILE B 86 3.156 -6.381 6.567 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.848 -7.082 4.991 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.953 -4.257 6.520 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -0.373 -5.272 7.138 1.00 0.00 H new ATOM 0 HG23 ILE B 86 1.240 -5.361 7.887 1.00 0.00 H new ATOM 0 HD11 ILE B 86 4.068 -4.971 4.787 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.453 -4.832 4.052 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.767 -4.120 5.653 1.00 0.00 H new ATOM 2739 N LEU B 87 -1.629 -7.850 6.032 1.00 0.00 N ATOM 2740 CA LEU B 87 -3.058 -7.790 6.327 1.00 0.00 C ATOM 2741 C LEU B 87 -3.574 -9.108 6.905 1.00 0.00 C ATOM 2742 O LEU B 87 -4.663 -9.155 7.478 1.00 0.00 O ATOM 2743 CB LEU B 87 -3.861 -7.376 5.077 1.00 0.00 C ATOM 2744 CG LEU B 87 -3.716 -8.267 3.834 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -4.599 -9.502 3.932 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.051 -7.482 2.576 1.00 0.00 C ATOM 0 H LEU B 87 -1.403 -7.985 5.047 1.00 0.00 H new ATOM 0 HA LEU B 87 -3.203 -7.026 7.091 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -4.916 -7.340 5.348 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -3.567 -6.362 4.805 1.00 0.00 H new ATOM 0 HG LEU B 87 -2.678 -8.597 3.781 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -4.473 -10.111 3.037 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -4.316 -10.083 4.809 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -5.642 -9.198 4.020 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -3.943 -8.128 1.705 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.078 -7.121 2.635 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.373 -6.634 2.485 1.00 0.00 H new ATOM 2758 N SER B 88 -2.798 -10.171 6.761 1.00 0.00 N ATOM 2759 CA SER B 88 -3.195 -11.467 7.272 1.00 0.00 C ATOM 2760 C SER B 88 -2.836 -11.615 8.745 1.00 0.00 C ATOM 2761 O SER B 88 -1.733 -12.035 9.088 1.00 0.00 O ATOM 2762 CB SER B 88 -2.540 -12.579 6.459 1.00 0.00 C ATOM 2763 OG SER B 88 -2.942 -12.523 5.100 1.00 0.00 O ATOM 0 H SER B 88 -1.891 -10.159 6.294 1.00 0.00 H new ATOM 0 HA SER B 88 -4.278 -11.546 7.178 1.00 0.00 H new ATOM 0 HB2 SER B 88 -1.456 -12.491 6.525 1.00 0.00 H new ATOM 0 HB3 SER B 88 -2.807 -13.548 6.881 1.00 0.00 H new ATOM 0 HG SER B 88 -2.438 -11.821 4.638 1.00 0.00 H new ATOM 2769 N SER B 89 -3.768 -11.242 9.612 1.00 0.00 N ATOM 2770 CA SER B 89 -3.614 -11.465 11.042 1.00 0.00 C ATOM 2771 C SER B 89 -3.963 -12.912 11.377 1.00 0.00 C ATOM 2772 O SER B 89 -3.654 -13.415 12.459 1.00 0.00 O ATOM 2773 CB SER B 89 -4.503 -10.490 11.812 1.00 0.00 C ATOM 2774 OG SER B 89 -5.772 -10.376 11.193 1.00 0.00 O ATOM 0 H SER B 89 -4.640 -10.783 9.349 1.00 0.00 H new ATOM 0 HA SER B 89 -2.579 -11.288 11.334 1.00 0.00 H new ATOM 0 HB2 SER B 89 -4.623 -10.833 12.840 1.00 0.00 H new ATOM 0 HB3 SER B 89 -4.025 -9.511 11.857 1.00 0.00 H new ATOM 0 HG SER B 89 -6.379 -9.879 11.780 1.00 0.00 H new