USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 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 Single : A 20 ASN : amide:sc= -1.81 K(o=-1.8,f=-16!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -150:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 46 THR OG1 : rot -57:sc= 0.805 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 160:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 150:sc= -2.49! (180deg=-3.23!) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0672 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= 0.765 (180deg=0.353) USER MOD Single : A 78 MET CE :methyl -126:sc= -1.25 (180deg=-5.51!) USER MOD Single : A 79 TYR OH : rot -179:sc= -0.0238 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc=-0.00704 X(o=-0.007,f=0.021) USER MOD Single : A 87 TYR OH : rot 19:sc= -0.0861 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -175:sc= 1.25 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.014) USER MOD Single : A 102 SER OG : rot -170:sc= -0.975 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 25:sc= 0.22 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 2.726 19.203 -1.650 1.00 0.00 N ATOM 242 CA ASN A 20 1.833 18.874 -0.545 1.00 0.00 C ATOM 243 C ASN A 20 1.368 17.423 -0.636 1.00 0.00 C ATOM 244 O ASN A 20 0.613 17.042 -1.531 1.00 0.00 O ATOM 245 CB ASN A 20 0.623 19.810 -0.543 1.00 0.00 C ATOM 246 CG ASN A 20 -0.361 19.480 0.562 1.00 0.00 C ATOM 247 OD1 ASN A 20 -0.167 18.528 1.318 1.00 0.00 O ATOM 248 ND2 ASN A 20 -1.426 20.268 0.661 1.00 0.00 N ATOM 0 HA ASN A 20 2.385 19.003 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.963 20.839 -0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.117 19.748 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.123 20.095 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.547 21.046 0.013 1.00 0.00 H new ATOM 255 N PRO A 21 1.828 16.594 0.313 1.00 0.00 N ATOM 256 CA PRO A 21 1.471 15.173 0.362 1.00 0.00 C ATOM 257 C PRO A 21 0.011 14.955 0.742 1.00 0.00 C ATOM 258 O PRO A 21 -0.600 13.961 0.351 1.00 0.00 O ATOM 259 CB PRO A 21 2.395 14.614 1.447 1.00 0.00 C ATOM 260 CG PRO A 21 2.708 15.781 2.317 1.00 0.00 C ATOM 261 CD PRO A 21 2.731 16.980 1.410 1.00 0.00 C ATOM 0 HA PRO A 21 1.587 14.689 -0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.907 13.819 2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.301 14.188 1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.957 15.897 3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.669 15.650 2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.382 17.877 1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.737 17.191 1.047 1.00 0.00 H new ATOM 269 N ALA A 22 -0.543 15.890 1.506 1.00 0.00 N ATOM 270 CA ALA A 22 -1.933 15.801 1.936 1.00 0.00 C ATOM 271 C ALA A 22 -2.873 15.696 0.740 1.00 0.00 C ATOM 272 O ALA A 22 -3.916 15.046 0.811 1.00 0.00 O ATOM 273 CB ALA A 22 -2.299 17.004 2.793 1.00 0.00 C ATOM 0 H ALA A 22 -0.050 16.718 1.840 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.045 14.896 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.340 16.924 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.656 17.033 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.164 17.918 2.214 1.00 0.00 H new ATOM 279 N LEU A 23 -2.497 16.341 -0.359 1.00 0.00 N ATOM 280 CA LEU A 23 -3.307 16.321 -1.573 1.00 0.00 C ATOM 281 C LEU A 23 -3.114 15.014 -2.334 1.00 0.00 C ATOM 282 O LEU A 23 -3.952 14.629 -3.150 1.00 0.00 O ATOM 283 CB LEU A 23 -2.945 17.506 -2.470 1.00 0.00 C ATOM 284 CG LEU A 23 -3.217 18.894 -1.891 1.00 0.00 C ATOM 285 CD1 LEU A 23 -2.565 19.968 -2.749 1.00 0.00 C ATOM 286 CD2 LEU A 23 -4.714 19.140 -1.775 1.00 0.00 C ATOM 0 H LEU A 23 -1.637 16.884 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.355 16.400 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.885 17.439 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.497 17.410 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.782 18.941 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.770 20.949 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.488 19.804 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.970 19.921 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.889 20.133 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.171 19.073 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.156 18.390 -1.119 1.00 0.00 H new ATOM 298 N VAL A 24 -2.005 14.333 -2.061 1.00 0.00 N ATOM 299 CA VAL A 24 -1.704 13.067 -2.718 1.00 0.00 C ATOM 300 C VAL A 24 -2.742 12.006 -2.369 1.00 0.00 C ATOM 301 O VAL A 24 -3.134 11.864 -1.211 1.00 0.00 O ATOM 302 CB VAL A 24 -0.307 12.550 -2.327 1.00 0.00 C ATOM 303 CG1 VAL A 24 -0.016 11.225 -3.014 1.00 0.00 C ATOM 304 CG2 VAL A 24 0.757 13.582 -2.668 1.00 0.00 C ATOM 0 H VAL A 24 -1.300 14.637 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.727 13.255 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.288 12.385 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.975 10.876 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.762 10.488 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.053 11.360 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.738 13.200 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.740 13.781 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.556 14.505 -2.124 1.00 0.00 H new ATOM 314 N SER A 25 -3.183 11.263 -3.379 1.00 0.00 N ATOM 315 CA SER A 25 -4.179 10.216 -3.180 1.00 0.00 C ATOM 316 C SER A 25 -3.765 8.931 -3.889 1.00 0.00 C ATOM 317 O SER A 25 -2.942 8.951 -4.804 1.00 0.00 O ATOM 318 CB SER A 25 -5.544 10.678 -3.692 1.00 0.00 C ATOM 319 OG SER A 25 -6.012 11.798 -2.960 1.00 0.00 O ATOM 0 H SER A 25 -2.867 11.366 -4.343 1.00 0.00 H new ATOM 0 HA SER A 25 -4.249 10.014 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.471 10.935 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.261 9.861 -3.611 1.00 0.00 H new ATOM 0 HG SER A 25 -6.885 12.075 -3.308 1.00 0.00 H new ATOM 325 N ALA A 26 -4.342 7.813 -3.461 1.00 0.00 N ATOM 326 CA ALA A 26 -4.036 6.518 -4.055 1.00 0.00 C ATOM 327 C ALA A 26 -5.311 5.737 -4.355 1.00 0.00 C ATOM 328 O ALA A 26 -6.204 5.640 -3.513 1.00 0.00 O ATOM 329 CB ALA A 26 -3.127 5.717 -3.135 1.00 0.00 C ATOM 0 H ALA A 26 -5.025 7.778 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.517 6.691 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.907 4.752 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.198 6.264 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.625 5.561 -2.178 1.00 0.00 H new ATOM 335 N TYR A 27 -5.389 5.182 -5.560 1.00 0.00 N ATOM 336 CA TYR A 27 -6.556 4.411 -5.972 1.00 0.00 C ATOM 337 C TYR A 27 -6.152 3.256 -6.883 1.00 0.00 C ATOM 338 O TYR A 27 -5.078 3.269 -7.481 1.00 0.00 O ATOM 339 CB TYR A 27 -7.562 5.313 -6.689 1.00 0.00 C ATOM 340 CG TYR A 27 -7.045 5.878 -7.993 1.00 0.00 C ATOM 341 CD1 TYR A 27 -6.124 6.918 -8.006 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.479 5.374 -9.213 1.00 0.00 C ATOM 343 CE1 TYR A 27 -5.649 7.438 -9.195 1.00 0.00 C ATOM 344 CE2 TYR A 27 -7.010 5.886 -10.406 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.095 6.919 -10.392 1.00 0.00 C ATOM 346 OH TYR A 27 -5.626 7.433 -11.579 1.00 0.00 O ATOM 0 H TYR A 27 -4.658 5.252 -6.268 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.022 3.998 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.472 4.746 -6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.835 6.136 -6.029 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.773 7.327 -7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.196 4.567 -9.228 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.933 8.246 -9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.357 5.481 -11.345 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.039 6.955 -12.328 1.00 0.00 H new ATOM 356 N GLY A 28 -7.024 2.256 -6.982 1.00 0.00 N ATOM 357 CA GLY A 28 -6.742 1.107 -7.821 1.00 0.00 C ATOM 358 C GLY A 28 -7.599 -0.092 -7.469 1.00 0.00 C ATOM 359 O GLY A 28 -8.582 0.030 -6.737 1.00 0.00 O ATOM 0 H GLY A 28 -7.920 2.222 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.907 1.374 -8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.690 0.839 -7.723 1.00 0.00 H new ATOM 363 N THR A 29 -7.229 -1.257 -7.993 1.00 0.00 N ATOM 364 CA THR A 29 -7.973 -2.483 -7.732 1.00 0.00 C ATOM 365 C THR A 29 -7.242 -3.366 -6.727 1.00 0.00 C ATOM 366 O THR A 29 -7.817 -4.304 -6.177 1.00 0.00 O ATOM 367 CB THR A 29 -8.206 -3.284 -9.027 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.569 -2.399 -10.092 1.00 0.00 O ATOM 369 CG2 THR A 29 -9.299 -4.324 -8.830 1.00 0.00 C ATOM 0 H THR A 29 -6.419 -1.377 -8.601 1.00 0.00 H new ATOM 0 HA THR A 29 -8.937 -2.186 -7.318 1.00 0.00 H new ATOM 0 HB THR A 29 -7.279 -3.798 -9.282 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.714 -2.916 -10.912 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.446 -4.877 -9.758 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.006 -5.014 -8.038 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.229 -3.827 -8.553 1.00 0.00 H new ATOM 377 N GLY A 30 -5.970 -3.058 -6.490 1.00 0.00 N ATOM 378 CA GLY A 30 -5.182 -3.834 -5.550 1.00 0.00 C ATOM 379 C GLY A 30 -5.509 -3.501 -4.107 1.00 0.00 C ATOM 380 O GLY A 30 -5.347 -4.337 -3.218 1.00 0.00 O ATOM 0 H GLY A 30 -5.472 -2.285 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.357 -4.896 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.123 -3.652 -5.731 1.00 0.00 H new ATOM 384 N LEU A 31 -5.967 -2.277 -3.874 1.00 0.00 N ATOM 385 CA LEU A 31 -6.316 -1.834 -2.528 1.00 0.00 C ATOM 386 C LEU A 31 -7.640 -2.445 -2.080 1.00 0.00 C ATOM 387 O LEU A 31 -7.897 -2.583 -0.884 1.00 0.00 O ATOM 388 CB LEU A 31 -6.402 -0.308 -2.478 1.00 0.00 C ATOM 389 CG LEU A 31 -5.125 0.449 -2.846 1.00 0.00 C ATOM 390 CD1 LEU A 31 -5.402 1.941 -2.955 1.00 0.00 C ATOM 391 CD2 LEU A 31 -4.032 0.181 -1.822 1.00 0.00 C ATOM 0 H LEU A 31 -6.106 -1.573 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.534 -2.170 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.197 0.013 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.698 -0.014 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.781 0.092 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.482 2.464 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.152 2.116 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.771 2.313 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.131 0.728 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.367 0.510 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.814 -0.887 -1.793 1.00 0.00 H new ATOM 403 N GLU A 32 -8.475 -2.810 -3.047 1.00 0.00 N ATOM 404 CA GLU A 32 -9.772 -3.407 -2.751 1.00 0.00 C ATOM 405 C GLU A 32 -9.611 -4.658 -1.892 1.00 0.00 C ATOM 406 O GLU A 32 -10.399 -4.903 -0.979 1.00 0.00 O ATOM 407 CB GLU A 32 -10.506 -3.756 -4.047 1.00 0.00 C ATOM 408 CG GLU A 32 -10.724 -2.563 -4.963 1.00 0.00 C ATOM 409 CD GLU A 32 -11.763 -2.833 -6.035 1.00 0.00 C ATOM 410 OE1 GLU A 32 -12.741 -3.553 -5.746 1.00 0.00 O ATOM 411 OE2 GLU A 32 -11.597 -2.322 -7.162 1.00 0.00 O ATOM 0 H GLU A 32 -8.277 -2.703 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.360 -2.678 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.938 -4.516 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.472 -4.195 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.036 -1.705 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.779 -2.296 -5.437 1.00 0.00 H new ATOM 418 N GLY A 33 -8.585 -5.448 -2.193 1.00 0.00 N ATOM 419 CA GLY A 33 -8.339 -6.664 -1.441 1.00 0.00 C ATOM 420 C GLY A 33 -7.161 -7.451 -1.979 1.00 0.00 C ATOM 421 O GLY A 33 -6.422 -6.968 -2.836 1.00 0.00 O ATOM 0 H GLY A 33 -7.920 -5.267 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.156 -6.411 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.231 -7.289 -1.466 1.00 0.00 H new ATOM 425 N GLY A 34 -6.983 -8.668 -1.474 1.00 0.00 N ATOM 426 CA GLY A 34 -5.884 -9.503 -1.921 1.00 0.00 C ATOM 427 C GLY A 34 -6.347 -10.657 -2.789 1.00 0.00 C ATOM 428 O GLY A 34 -6.892 -11.641 -2.289 1.00 0.00 O ATOM 0 H GLY A 34 -7.580 -9.090 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.174 -8.894 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.354 -9.895 -1.053 1.00 0.00 H new ATOM 432 N THR A 35 -6.132 -10.535 -4.095 1.00 0.00 N ATOM 433 CA THR A 35 -6.533 -11.574 -5.036 1.00 0.00 C ATOM 434 C THR A 35 -5.368 -12.501 -5.362 1.00 0.00 C ATOM 435 O THR A 35 -4.453 -12.131 -6.099 1.00 0.00 O ATOM 436 CB THR A 35 -7.074 -10.968 -6.344 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.443 -9.709 -6.599 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.582 -10.780 -6.271 1.00 0.00 C ATOM 0 H THR A 35 -5.682 -9.727 -4.525 1.00 0.00 H new ATOM 0 HA THR A 35 -7.325 -12.147 -4.555 1.00 0.00 H new ATOM 0 HB THR A 35 -6.849 -11.658 -7.158 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.792 -9.331 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.941 -10.351 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.061 -11.745 -6.107 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.826 -10.109 -5.447 1.00 0.00 H new ATOM 446 N THR A 36 -5.406 -13.710 -4.809 1.00 0.00 N ATOM 447 CA THR A 36 -4.353 -14.690 -5.041 1.00 0.00 C ATOM 448 C THR A 36 -4.469 -15.303 -6.431 1.00 0.00 C ATOM 449 O THR A 36 -5.418 -16.030 -6.723 1.00 0.00 O ATOM 450 CB THR A 36 -4.392 -15.816 -3.990 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.802 -15.289 -2.723 1.00 0.00 O ATOM 452 CG2 THR A 36 -3.028 -16.476 -3.853 1.00 0.00 C ATOM 0 H THR A 36 -6.155 -14.033 -4.197 1.00 0.00 H new ATOM 0 HA THR A 36 -3.404 -14.160 -4.959 1.00 0.00 H new ATOM 0 HB THR A 36 -5.110 -16.567 -4.320 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.826 -16.011 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.080 -17.268 -3.106 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.732 -16.901 -4.812 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.294 -15.733 -3.543 1.00 0.00 H new ATOM 460 N GLY A 37 -3.496 -15.007 -7.287 1.00 0.00 N ATOM 461 CA GLY A 37 -3.508 -15.539 -8.638 1.00 0.00 C ATOM 462 C GLY A 37 -3.647 -14.453 -9.687 1.00 0.00 C ATOM 463 O GLY A 37 -3.323 -14.666 -10.856 1.00 0.00 O ATOM 0 H GLY A 37 -2.699 -14.408 -7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.587 -16.095 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.332 -16.246 -8.740 1.00 0.00 H new ATOM 467 N ILE A 38 -4.132 -13.289 -9.270 1.00 0.00 N ATOM 468 CA ILE A 38 -4.313 -12.167 -10.183 1.00 0.00 C ATOM 469 C ILE A 38 -3.282 -11.074 -9.923 1.00 0.00 C ATOM 470 O ILE A 38 -2.654 -11.040 -8.866 1.00 0.00 O ATOM 471 CB ILE A 38 -5.725 -11.564 -10.061 1.00 0.00 C ATOM 472 CG1 ILE A 38 -6.783 -12.666 -10.155 1.00 0.00 C ATOM 473 CG2 ILE A 38 -5.949 -10.515 -11.140 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.161 -12.219 -9.718 1.00 0.00 C ATOM 0 H ILE A 38 -4.407 -13.098 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.179 -12.557 -11.192 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.815 -11.081 -9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.835 -13.022 -11.184 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.472 -13.511 -9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.951 -10.099 -11.040 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.213 -9.719 -11.032 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.844 -10.975 -12.122 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.860 -13.050 -9.811 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.124 -11.890 -8.679 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.493 -11.394 -10.348 1.00 0.00 H new ATOM 486 N GLN A 39 -3.115 -10.182 -10.895 1.00 0.00 N ATOM 487 CA GLN A 39 -2.161 -9.087 -10.770 1.00 0.00 C ATOM 488 C GLN A 39 -2.878 -7.741 -10.740 1.00 0.00 C ATOM 489 O GLN A 39 -3.368 -7.265 -11.764 1.00 0.00 O ATOM 490 CB GLN A 39 -1.160 -9.120 -11.926 1.00 0.00 C ATOM 491 CG GLN A 39 -0.380 -7.826 -12.092 1.00 0.00 C ATOM 492 CD GLN A 39 0.633 -7.896 -13.218 1.00 0.00 C ATOM 493 OE1 GLN A 39 1.840 -7.949 -12.980 1.00 0.00 O ATOM 494 NE2 GLN A 39 0.146 -7.897 -14.454 1.00 0.00 N ATOM 0 H GLN A 39 -3.628 -10.197 -11.777 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.623 -9.212 -9.830 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.459 -9.939 -11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.694 -9.334 -12.852 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.075 -7.009 -12.284 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.134 -7.594 -11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.862 -7.852 -14.605 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.780 -7.943 -15.252 1.00 0.00 H new ATOM 503 N SER A 40 -2.935 -7.133 -9.560 1.00 0.00 N ATOM 504 CA SER A 40 -3.596 -5.843 -9.396 1.00 0.00 C ATOM 505 C SER A 40 -2.598 -4.699 -9.541 1.00 0.00 C ATOM 506 O SER A 40 -1.388 -4.901 -9.441 1.00 0.00 O ATOM 507 CB SER A 40 -4.281 -5.767 -8.030 1.00 0.00 C ATOM 508 OG SER A 40 -3.381 -6.103 -6.989 1.00 0.00 O ATOM 0 H SER A 40 -2.532 -7.512 -8.703 1.00 0.00 H new ATOM 0 HA SER A 40 -4.349 -5.747 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.668 -4.761 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.135 -6.444 -8.010 1.00 0.00 H new ATOM 0 HG SER A 40 -3.876 -6.507 -6.246 1.00 0.00 H new ATOM 514 N GLU A 41 -3.115 -3.497 -9.776 1.00 0.00 N ATOM 515 CA GLU A 41 -2.269 -2.320 -9.936 1.00 0.00 C ATOM 516 C GLU A 41 -2.967 -1.072 -9.403 1.00 0.00 C ATOM 517 O GLU A 41 -4.121 -0.803 -9.737 1.00 0.00 O ATOM 518 CB GLU A 41 -1.902 -2.124 -11.408 1.00 0.00 C ATOM 519 CG GLU A 41 -3.091 -2.218 -12.349 1.00 0.00 C ATOM 520 CD GLU A 41 -2.677 -2.330 -13.804 1.00 0.00 C ATOM 521 OE1 GLU A 41 -1.728 -3.088 -14.094 1.00 0.00 O ATOM 522 OE2 GLU A 41 -3.303 -1.660 -14.652 1.00 0.00 O ATOM 0 H GLU A 41 -4.115 -3.313 -9.860 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.357 -2.479 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.429 -1.149 -11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.164 -2.874 -11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.695 -3.084 -12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.721 -1.338 -12.221 1.00 0.00 H new ATOM 529 N PHE A 42 -2.258 -0.313 -8.573 1.00 0.00 N ATOM 530 CA PHE A 42 -2.809 0.906 -7.993 1.00 0.00 C ATOM 531 C PHE A 42 -1.923 2.107 -8.309 1.00 0.00 C ATOM 532 O PHE A 42 -0.741 2.128 -7.966 1.00 0.00 O ATOM 533 CB PHE A 42 -2.958 0.752 -6.478 1.00 0.00 C ATOM 534 CG PHE A 42 -1.664 0.902 -5.730 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.195 2.157 -5.375 1.00 0.00 C ATOM 536 CD2 PHE A 42 -0.916 -0.211 -5.382 1.00 0.00 C ATOM 537 CE1 PHE A 42 -0.005 2.299 -4.687 1.00 0.00 C ATOM 538 CE2 PHE A 42 0.274 -0.075 -4.693 1.00 0.00 C ATOM 539 CZ PHE A 42 0.731 1.181 -4.346 1.00 0.00 C ATOM 0 H PHE A 42 -1.301 -0.521 -8.287 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.792 1.076 -8.433 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.667 1.495 -6.113 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.383 -0.228 -6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.766 3.034 -5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.267 -1.196 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.349 3.283 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.847 -0.951 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.662 1.289 -3.809 1.00 0.00 H new ATOM 549 N PHE A 43 -2.503 3.106 -8.966 1.00 0.00 N ATOM 550 CA PHE A 43 -1.767 4.311 -9.330 1.00 0.00 C ATOM 551 C PHE A 43 -1.871 5.365 -8.231 1.00 0.00 C ATOM 552 O PHE A 43 -2.898 5.479 -7.561 1.00 0.00 O ATOM 553 CB PHE A 43 -2.297 4.879 -10.648 1.00 0.00 C ATOM 554 CG PHE A 43 -2.416 3.852 -11.738 1.00 0.00 C ATOM 555 CD1 PHE A 43 -3.522 3.021 -11.808 1.00 0.00 C ATOM 556 CD2 PHE A 43 -1.421 3.719 -12.694 1.00 0.00 C ATOM 557 CE1 PHE A 43 -3.633 2.075 -12.810 1.00 0.00 C ATOM 558 CE2 PHE A 43 -1.527 2.775 -13.698 1.00 0.00 C ATOM 559 CZ PHE A 43 -2.635 1.952 -13.756 1.00 0.00 C ATOM 0 H PHE A 43 -3.481 3.105 -9.257 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.718 4.042 -9.453 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.275 5.328 -10.474 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.635 5.678 -10.983 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.306 3.113 -11.071 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.553 4.360 -12.654 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.500 1.432 -12.853 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.744 2.681 -14.436 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.720 1.214 -14.540 1.00 0.00 H new ATOM 569 N ILE A 44 -0.801 6.132 -8.053 1.00 0.00 N ATOM 570 CA ILE A 44 -0.771 7.176 -7.036 1.00 0.00 C ATOM 571 C ILE A 44 -1.078 8.542 -7.642 1.00 0.00 C ATOM 572 O ILE A 44 -0.256 9.113 -8.357 1.00 0.00 O ATOM 573 CB ILE A 44 0.596 7.236 -6.330 1.00 0.00 C ATOM 574 CG1 ILE A 44 1.103 5.823 -6.033 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.494 8.048 -5.047 1.00 0.00 C ATOM 576 CD1 ILE A 44 2.580 5.766 -5.710 1.00 0.00 C ATOM 0 H ILE A 44 0.056 6.050 -8.599 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.538 6.925 -6.303 1.00 0.00 H new ATOM 0 HB ILE A 44 1.309 7.727 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.540 5.412 -5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.903 5.185 -6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.468 8.081 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.171 9.062 -5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.231 7.583 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.869 4.734 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.152 6.146 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.784 6.377 -4.830 1.00 0.00 H new ATOM 588 N ASN A 45 -2.266 9.060 -7.350 1.00 0.00 N ATOM 589 CA ASN A 45 -2.681 10.359 -7.865 1.00 0.00 C ATOM 590 C ASN A 45 -1.709 11.452 -7.430 1.00 0.00 C ATOM 591 O ASN A 45 -1.866 12.052 -6.366 1.00 0.00 O ATOM 592 CB ASN A 45 -4.093 10.696 -7.381 1.00 0.00 C ATOM 593 CG ASN A 45 -4.822 11.630 -8.328 1.00 0.00 C ATOM 594 OD1 ASN A 45 -4.945 11.350 -9.520 1.00 0.00 O ATOM 595 ND2 ASN A 45 -5.308 12.747 -7.799 1.00 0.00 N ATOM 0 H ASN A 45 -2.959 8.600 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.680 10.307 -8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.666 9.775 -7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.036 11.156 -6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.807 13.414 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.182 12.937 -6.805 1.00 0.00 H new ATOM 602 N THR A 46 -0.703 11.707 -8.262 1.00 0.00 N ATOM 603 CA THR A 46 0.295 12.726 -7.965 1.00 0.00 C ATOM 604 C THR A 46 0.487 13.669 -9.148 1.00 0.00 C ATOM 605 O THR A 46 1.610 13.899 -9.596 1.00 0.00 O ATOM 606 CB THR A 46 1.652 12.095 -7.601 1.00 0.00 C ATOM 607 OG1 THR A 46 1.847 10.888 -8.348 1.00 0.00 O ATOM 608 CG2 THR A 46 1.726 11.793 -6.112 1.00 0.00 C ATOM 0 H THR A 46 -0.559 11.221 -9.147 1.00 0.00 H new ATOM 0 HA THR A 46 -0.076 13.291 -7.110 1.00 0.00 H new ATOM 0 HB THR A 46 2.438 12.808 -7.851 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.108 10.270 -8.169 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.693 11.348 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.606 12.717 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.932 11.097 -5.842 1.00 0.00 H new ATOM 616 N THR A 47 -0.617 14.214 -9.650 1.00 0.00 N ATOM 617 CA THR A 47 -0.571 15.131 -10.781 1.00 0.00 C ATOM 618 C THR A 47 -0.952 16.545 -10.357 1.00 0.00 C ATOM 619 O THR A 47 -0.853 17.487 -11.144 1.00 0.00 O ATOM 620 CB THR A 47 -1.510 14.676 -11.913 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.841 14.515 -11.411 1.00 0.00 O ATOM 622 CG2 THR A 47 -1.030 13.366 -12.520 1.00 0.00 C ATOM 0 H THR A 47 -1.555 14.035 -9.290 1.00 0.00 H new ATOM 0 HA THR A 47 0.455 15.128 -11.148 1.00 0.00 H new ATOM 0 HB THR A 47 -1.505 15.442 -12.689 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.432 14.227 -12.138 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.709 13.064 -13.318 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.028 13.499 -12.928 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.009 12.595 -11.750 1.00 0.00 H new ATOM 630 N ARG A 48 -1.388 16.688 -9.110 1.00 0.00 N ATOM 631 CA ARG A 48 -1.784 17.988 -8.583 1.00 0.00 C ATOM 632 C ARG A 48 -1.141 18.242 -7.223 1.00 0.00 C ATOM 633 O ARG A 48 -1.332 19.299 -6.623 1.00 0.00 O ATOM 634 CB ARG A 48 -3.307 18.070 -8.462 1.00 0.00 C ATOM 635 CG ARG A 48 -3.954 16.767 -8.020 1.00 0.00 C ATOM 636 CD ARG A 48 -4.078 16.693 -6.506 1.00 0.00 C ATOM 637 NE ARG A 48 -5.134 17.566 -5.999 1.00 0.00 N ATOM 638 CZ ARG A 48 -6.417 17.224 -5.967 1.00 0.00 C ATOM 639 NH1 ARG A 48 -6.801 16.034 -6.409 1.00 0.00 N ATOM 640 NH2 ARG A 48 -7.319 18.073 -5.491 1.00 0.00 N ATOM 0 H ARG A 48 -1.476 15.919 -8.446 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.439 18.754 -9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.565 18.854 -7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.724 18.365 -9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.942 16.678 -8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.362 15.925 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.284 15.665 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.128 16.972 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.872 18.488 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.110 15.379 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.787 15.774 -6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.027 18.989 -5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.304 17.810 -5.467 1.00 0.00 H new ATOM 654 N ALA A 49 -0.379 17.265 -6.742 1.00 0.00 N ATOM 655 CA ALA A 49 0.293 17.383 -5.454 1.00 0.00 C ATOM 656 C ALA A 49 1.690 17.973 -5.616 1.00 0.00 C ATOM 657 O ALA A 49 2.108 18.827 -4.836 1.00 0.00 O ATOM 658 CB ALA A 49 0.367 16.026 -4.771 1.00 0.00 C ATOM 0 H ALA A 49 -0.212 16.383 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.289 18.060 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.871 16.129 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.641 15.643 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.924 15.332 -5.400 1.00 0.00 H new ATOM 664 N GLY A 50 2.408 17.510 -6.635 1.00 0.00 N ATOM 665 CA GLY A 50 3.751 18.003 -6.880 1.00 0.00 C ATOM 666 C GLY A 50 4.756 16.882 -7.058 1.00 0.00 C ATOM 667 O GLY A 50 4.506 15.732 -6.699 1.00 0.00 O ATOM 0 H GLY A 50 2.084 16.803 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.748 18.629 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.060 18.635 -6.048 1.00 0.00 H new ATOM 671 N PRO A 51 5.924 17.215 -7.628 1.00 0.00 N ATOM 672 CA PRO A 51 6.994 16.241 -7.867 1.00 0.00 C ATOM 673 C PRO A 51 7.647 15.768 -6.573 1.00 0.00 C ATOM 674 O PRO A 51 7.242 16.163 -5.481 1.00 0.00 O ATOM 675 CB PRO A 51 7.998 17.021 -8.720 1.00 0.00 C ATOM 676 CG PRO A 51 7.762 18.450 -8.372 1.00 0.00 C ATOM 677 CD PRO A 51 6.291 18.567 -8.081 1.00 0.00 C ATOM 0 HA PRO A 51 6.622 15.334 -8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.023 16.723 -8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.838 16.841 -9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.356 18.744 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.051 19.105 -9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.091 19.316 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.728 18.860 -8.967 1.00 0.00 H new ATOM 685 N GLY A 52 8.662 14.918 -6.704 1.00 0.00 N ATOM 686 CA GLY A 52 9.355 14.405 -5.537 1.00 0.00 C ATOM 687 C GLY A 52 9.501 12.897 -5.566 1.00 0.00 C ATOM 688 O GLY A 52 8.781 12.209 -6.290 1.00 0.00 O ATOM 0 H GLY A 52 9.016 14.576 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.343 14.861 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.812 14.697 -4.638 1.00 0.00 H new ATOM 692 N THR A 53 10.438 12.379 -4.777 1.00 0.00 N ATOM 693 CA THR A 53 10.678 10.943 -4.717 1.00 0.00 C ATOM 694 C THR A 53 9.680 10.256 -3.793 1.00 0.00 C ATOM 695 O THR A 53 9.170 10.865 -2.851 1.00 0.00 O ATOM 696 CB THR A 53 12.107 10.633 -4.232 1.00 0.00 C ATOM 697 OG1 THR A 53 13.029 11.579 -4.785 1.00 0.00 O ATOM 698 CG2 THR A 53 12.519 9.223 -4.630 1.00 0.00 C ATOM 0 H THR A 53 11.043 12.933 -4.171 1.00 0.00 H new ATOM 0 HA THR A 53 10.554 10.559 -5.730 1.00 0.00 H new ATOM 0 HB THR A 53 12.122 10.706 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.935 11.376 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.531 9.026 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.833 8.504 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.488 9.128 -5.715 1.00 0.00 H new ATOM 706 N LEU A 54 9.404 8.986 -4.066 1.00 0.00 N ATOM 707 CA LEU A 54 8.466 8.215 -3.257 1.00 0.00 C ATOM 708 C LEU A 54 9.075 6.880 -2.841 1.00 0.00 C ATOM 709 O LEU A 54 10.034 6.407 -3.450 1.00 0.00 O ATOM 710 CB LEU A 54 7.169 7.978 -4.033 1.00 0.00 C ATOM 711 CG LEU A 54 7.250 6.974 -5.184 1.00 0.00 C ATOM 712 CD1 LEU A 54 8.388 7.334 -6.127 1.00 0.00 C ATOM 713 CD2 LEU A 54 7.425 5.561 -4.648 1.00 0.00 C ATOM 0 H LEU A 54 9.816 8.468 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 54 8.244 8.788 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.407 7.637 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.829 8.933 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 54 6.315 7.015 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.430 6.609 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.219 8.330 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.331 7.322 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.481 4.860 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.344 5.504 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.576 5.305 -4.014 1.00 0.00 H new ATOM 725 N SER A 55 8.510 6.277 -1.800 1.00 0.00 N ATOM 726 CA SER A 55 8.998 4.996 -1.301 1.00 0.00 C ATOM 727 C SER A 55 7.840 4.116 -0.839 1.00 0.00 C ATOM 728 O SER A 55 7.012 4.534 -0.030 1.00 0.00 O ATOM 729 CB SER A 55 9.979 5.215 -0.148 1.00 0.00 C ATOM 730 OG SER A 55 10.293 3.991 0.493 1.00 0.00 O ATOM 0 H SER A 55 7.714 6.655 -1.286 1.00 0.00 H new ATOM 0 HA SER A 55 9.514 4.489 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.892 5.676 -0.525 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.547 5.907 0.575 1.00 0.00 H new ATOM 0 HG SER A 55 10.923 4.157 1.225 1.00 0.00 H new ATOM 736 N VAL A 56 7.789 2.895 -1.361 1.00 0.00 N ATOM 737 CA VAL A 56 6.735 1.954 -1.003 1.00 0.00 C ATOM 738 C VAL A 56 7.319 0.636 -0.507 1.00 0.00 C ATOM 739 O VAL A 56 8.348 0.174 -1.003 1.00 0.00 O ATOM 740 CB VAL A 56 5.803 1.673 -2.197 1.00 0.00 C ATOM 741 CG1 VAL A 56 5.130 2.955 -2.662 1.00 0.00 C ATOM 742 CG2 VAL A 56 6.577 1.024 -3.335 1.00 0.00 C ATOM 0 H VAL A 56 8.466 2.534 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 56 6.158 2.416 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 56 5.026 0.980 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.476 2.737 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.542 3.374 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.890 3.674 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.903 0.832 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.376 1.691 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.007 0.083 -2.992 1.00 0.00 H new ATOM 752 N THR A 57 6.656 0.033 0.475 1.00 0.00 N ATOM 753 CA THR A 57 7.110 -1.232 1.039 1.00 0.00 C ATOM 754 C THR A 57 5.931 -2.137 1.379 1.00 0.00 C ATOM 755 O THR A 57 5.048 -1.758 2.150 1.00 0.00 O ATOM 756 CB THR A 57 7.955 -1.011 2.307 1.00 0.00 C ATOM 757 OG1 THR A 57 9.052 -0.137 2.018 1.00 0.00 O ATOM 758 CG2 THR A 57 8.482 -2.333 2.844 1.00 0.00 C ATOM 0 H THR A 57 5.803 0.401 0.896 1.00 0.00 H new ATOM 0 HA THR A 57 7.727 -1.713 0.280 1.00 0.00 H new ATOM 0 HB THR A 57 7.318 -0.557 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.584 -0.000 2.830 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.076 -2.151 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.644 -2.986 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.104 -2.811 2.087 1.00 0.00 H new ATOM 766 N ILE A 58 5.922 -3.333 0.801 1.00 0.00 N ATOM 767 CA ILE A 58 4.852 -4.291 1.045 1.00 0.00 C ATOM 768 C ILE A 58 5.306 -5.392 1.998 1.00 0.00 C ATOM 769 O ILE A 58 6.405 -5.929 1.861 1.00 0.00 O ATOM 770 CB ILE A 58 4.361 -4.933 -0.266 1.00 0.00 C ATOM 771 CG1 ILE A 58 3.682 -3.885 -1.150 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.407 -6.081 0.031 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.014 -4.468 -2.375 1.00 0.00 C ATOM 0 H ILE A 58 6.644 -3.662 0.160 1.00 0.00 H new ATOM 0 HA ILE A 58 4.030 -3.737 1.499 1.00 0.00 H new ATOM 0 HB ILE A 58 5.222 -5.331 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.937 -3.351 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.424 -3.152 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.069 -6.524 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.921 -6.836 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.547 -5.705 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.554 -3.667 -2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.758 -4.977 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.248 -5.180 -2.068 1.00 0.00 H new ATOM 785 N GLU A 59 4.452 -5.723 2.961 1.00 0.00 N ATOM 786 CA GLU A 59 4.767 -6.761 3.936 1.00 0.00 C ATOM 787 C GLU A 59 3.670 -7.822 3.974 1.00 0.00 C ATOM 788 O GLU A 59 2.487 -7.512 3.841 1.00 0.00 O ATOM 789 CB GLU A 59 4.948 -6.148 5.326 1.00 0.00 C ATOM 790 CG GLU A 59 6.372 -5.704 5.615 1.00 0.00 C ATOM 791 CD GLU A 59 7.224 -6.818 6.192 1.00 0.00 C ATOM 792 OE1 GLU A 59 7.477 -7.805 5.470 1.00 0.00 O ATOM 793 OE2 GLU A 59 7.638 -6.702 7.364 1.00 0.00 O ATOM 0 H GLU A 59 3.538 -5.288 3.087 1.00 0.00 H new ATOM 0 HA GLU A 59 5.699 -7.238 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.282 -5.291 5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.644 -6.877 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.829 -5.341 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.353 -4.867 6.313 1.00 0.00 H new ATOM 800 N GLY A 60 4.073 -9.075 4.157 1.00 0.00 N ATOM 801 CA GLY A 60 3.114 -10.163 4.209 1.00 0.00 C ATOM 802 C GLY A 60 3.771 -11.503 4.473 1.00 0.00 C ATOM 803 O GLY A 60 4.995 -11.619 4.527 1.00 0.00 O ATOM 0 H GLY A 60 5.047 -9.357 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.382 -9.961 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.569 -10.208 3.266 1.00 0.00 H new ATOM 807 N PRO A 61 2.946 -12.547 4.645 1.00 0.00 N ATOM 808 CA PRO A 61 3.432 -13.905 4.908 1.00 0.00 C ATOM 809 C PRO A 61 4.119 -14.521 3.694 1.00 0.00 C ATOM 810 O PRO A 61 4.960 -15.410 3.829 1.00 0.00 O ATOM 811 CB PRO A 61 2.156 -14.678 5.251 1.00 0.00 C ATOM 812 CG PRO A 61 1.065 -13.929 4.568 1.00 0.00 C ATOM 813 CD PRO A 61 1.476 -12.483 4.594 1.00 0.00 C ATOM 0 HA PRO A 61 4.183 -13.923 5.698 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.210 -15.708 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.995 -14.718 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.933 -14.279 3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.113 -14.073 5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.127 -11.950 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.066 -11.964 5.461 1.00 0.00 H new ATOM 821 N SER A 62 3.754 -14.043 2.508 1.00 0.00 N ATOM 822 CA SER A 62 4.333 -14.550 1.269 1.00 0.00 C ATOM 823 C SER A 62 5.101 -13.452 0.540 1.00 0.00 C ATOM 824 O SER A 62 4.545 -12.738 -0.295 1.00 0.00 O ATOM 825 CB SER A 62 3.237 -15.111 0.362 1.00 0.00 C ATOM 826 OG SER A 62 3.759 -16.083 -0.528 1.00 0.00 O ATOM 0 H SER A 62 3.061 -13.306 2.379 1.00 0.00 H new ATOM 0 HA SER A 62 5.029 -15.350 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.450 -15.556 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.781 -14.301 -0.207 1.00 0.00 H new ATOM 0 HG SER A 62 3.030 -16.646 -0.861 1.00 0.00 H new ATOM 832 N LYS A 63 6.384 -13.323 0.861 1.00 0.00 N ATOM 833 CA LYS A 63 7.232 -12.314 0.237 1.00 0.00 C ATOM 834 C LYS A 63 6.848 -12.110 -1.226 1.00 0.00 C ATOM 835 O LYS A 63 7.326 -12.823 -2.108 1.00 0.00 O ATOM 836 CB LYS A 63 8.703 -12.722 0.337 1.00 0.00 C ATOM 837 CG LYS A 63 8.971 -14.149 -0.109 1.00 0.00 C ATOM 838 CD LYS A 63 8.825 -15.129 1.043 1.00 0.00 C ATOM 839 CE LYS A 63 9.735 -16.335 0.867 1.00 0.00 C ATOM 840 NZ LYS A 63 9.158 -17.333 -0.075 1.00 0.00 N ATOM 0 H LYS A 63 6.860 -13.905 1.550 1.00 0.00 H new ATOM 0 HA LYS A 63 7.086 -11.373 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.302 -12.042 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.034 -12.605 1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.279 -14.418 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.977 -14.219 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.062 -14.627 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.789 -15.460 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.706 -16.006 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.905 -16.806 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.808 -18.139 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.243 -17.666 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.019 -16.891 -1.006 1.00 0.00 H new ATOM 854 N VAL A 64 5.984 -11.131 -1.475 1.00 0.00 N ATOM 855 CA VAL A 64 5.538 -10.832 -2.831 1.00 0.00 C ATOM 856 C VAL A 64 6.542 -9.942 -3.555 1.00 0.00 C ATOM 857 O VAL A 64 7.398 -9.315 -2.929 1.00 0.00 O ATOM 858 CB VAL A 64 4.163 -10.139 -2.829 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.050 -11.163 -2.668 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.096 -9.090 -1.730 1.00 0.00 C ATOM 0 H VAL A 64 5.579 -10.532 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 64 5.456 -11.784 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 64 4.027 -9.637 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.086 -10.655 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.087 -11.873 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.179 -11.695 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.117 -8.611 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.253 -9.566 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.870 -8.340 -1.895 1.00 0.00 H new ATOM 870 N LYS A 65 6.432 -9.890 -4.878 1.00 0.00 N ATOM 871 CA LYS A 65 7.328 -9.075 -5.690 1.00 0.00 C ATOM 872 C LYS A 65 6.639 -7.791 -6.139 1.00 0.00 C ATOM 873 O LYS A 65 5.480 -7.809 -6.552 1.00 0.00 O ATOM 874 CB LYS A 65 7.804 -9.866 -6.911 1.00 0.00 C ATOM 875 CG LYS A 65 8.743 -11.009 -6.568 1.00 0.00 C ATOM 876 CD LYS A 65 10.137 -10.504 -6.237 1.00 0.00 C ATOM 877 CE LYS A 65 10.925 -10.175 -7.496 1.00 0.00 C ATOM 878 NZ LYS A 65 12.393 -10.293 -7.279 1.00 0.00 N ATOM 0 H LYS A 65 5.730 -10.403 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 65 8.190 -8.808 -5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.936 -10.265 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.308 -9.187 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.345 -11.566 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.796 -11.702 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.064 -9.615 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.671 -11.259 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.622 -10.846 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.686 -9.162 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.894 -10.061 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.687 -9.635 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.625 -11.266 -6.995 1.00 0.00 H new ATOM 892 N MET A 66 7.360 -6.678 -6.056 1.00 0.00 N ATOM 893 CA MET A 66 6.818 -5.385 -6.457 1.00 0.00 C ATOM 894 C MET A 66 7.554 -4.842 -7.678 1.00 0.00 C ATOM 895 O MET A 66 8.782 -4.882 -7.743 1.00 0.00 O ATOM 896 CB MET A 66 6.917 -4.386 -5.302 1.00 0.00 C ATOM 897 CG MET A 66 6.204 -4.845 -4.040 1.00 0.00 C ATOM 898 SD MET A 66 6.667 -3.877 -2.591 1.00 0.00 S ATOM 899 CE MET A 66 6.236 -2.226 -3.134 1.00 0.00 C ATOM 0 H MET A 66 8.321 -6.645 -5.715 1.00 0.00 H new ATOM 0 HA MET A 66 5.769 -5.524 -6.719 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.968 -4.211 -5.073 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.497 -3.432 -5.620 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.127 -4.775 -4.190 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.433 -5.895 -3.859 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.950 -1.623 -2.272 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.094 -1.770 -3.627 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.401 -2.279 -3.833 1.00 0.00 H new ATOM 909 N ASP A 67 6.795 -4.335 -8.643 1.00 0.00 N ATOM 910 CA ASP A 67 7.375 -3.783 -9.862 1.00 0.00 C ATOM 911 C ASP A 67 7.259 -2.262 -9.879 1.00 0.00 C ATOM 912 O ASP A 67 6.382 -1.689 -9.231 1.00 0.00 O ATOM 913 CB ASP A 67 6.685 -4.373 -11.093 1.00 0.00 C ATOM 914 CG ASP A 67 6.498 -5.874 -10.988 1.00 0.00 C ATOM 915 OD1 ASP A 67 5.502 -6.305 -10.370 1.00 0.00 O ATOM 916 OD2 ASP A 67 7.346 -6.617 -11.525 1.00 0.00 O ATOM 0 H ASP A 67 5.777 -4.295 -8.605 1.00 0.00 H new ATOM 0 HA ASP A 67 8.432 -4.049 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.713 -3.897 -11.224 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.275 -4.144 -11.981 1.00 0.00 H new ATOM 921 N CYS A 68 8.149 -1.615 -10.622 1.00 0.00 N ATOM 922 CA CYS A 68 8.148 -0.159 -10.722 1.00 0.00 C ATOM 923 C CYS A 68 8.131 0.286 -12.180 1.00 0.00 C ATOM 924 O CYS A 68 9.178 0.402 -12.816 1.00 0.00 O ATOM 925 CB CYS A 68 9.373 0.422 -10.013 1.00 0.00 C ATOM 926 SG CYS A 68 9.364 0.197 -8.219 1.00 0.00 S ATOM 0 H CYS A 68 8.881 -2.075 -11.164 1.00 0.00 H new ATOM 0 HA CYS A 68 7.246 0.213 -10.237 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.270 -0.042 -10.422 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.436 1.487 -10.234 1.00 0.00 H new ATOM 0 HG CYS A 68 10.441 0.719 -7.711 1.00 0.00 H new ATOM 932 N GLN A 69 6.934 0.532 -12.704 1.00 0.00 N ATOM 933 CA GLN A 69 6.781 0.962 -14.089 1.00 0.00 C ATOM 934 C GLN A 69 6.395 2.436 -14.161 1.00 0.00 C ATOM 935 O GLN A 69 5.377 2.848 -13.607 1.00 0.00 O ATOM 936 CB GLN A 69 5.724 0.111 -14.795 1.00 0.00 C ATOM 937 CG GLN A 69 6.121 -1.349 -14.946 1.00 0.00 C ATOM 938 CD GLN A 69 7.007 -1.592 -16.152 1.00 0.00 C ATOM 939 OE1 GLN A 69 8.226 -1.434 -16.083 1.00 0.00 O ATOM 940 NE2 GLN A 69 6.397 -1.978 -17.266 1.00 0.00 N ATOM 0 H GLN A 69 6.057 0.441 -12.191 1.00 0.00 H new ATOM 0 HA GLN A 69 7.739 0.831 -14.592 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.790 0.169 -14.236 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.531 0.531 -15.782 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.642 -1.675 -14.046 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.222 -1.959 -15.032 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.384 -2.096 -17.278 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.941 -2.156 -18.110 1.00 0.00 H new ATOM 949 N GLU A 70 7.215 3.224 -14.849 1.00 0.00 N ATOM 950 CA GLU A 70 6.959 4.652 -14.993 1.00 0.00 C ATOM 951 C GLU A 70 5.711 4.900 -15.835 1.00 0.00 C ATOM 952 O GLU A 70 5.575 4.365 -16.936 1.00 0.00 O ATOM 953 CB GLU A 70 8.164 5.348 -15.630 1.00 0.00 C ATOM 954 CG GLU A 70 9.255 5.708 -14.635 1.00 0.00 C ATOM 955 CD GLU A 70 10.246 4.581 -14.421 1.00 0.00 C ATOM 956 OE1 GLU A 70 11.125 4.390 -15.288 1.00 0.00 O ATOM 957 OE2 GLU A 70 10.142 3.889 -13.387 1.00 0.00 O ATOM 0 H GLU A 70 8.062 2.898 -15.315 1.00 0.00 H new ATOM 0 HA GLU A 70 6.793 5.066 -13.999 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.584 4.698 -16.398 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.826 6.256 -16.130 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.786 6.592 -14.989 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.799 5.971 -13.681 1.00 0.00 H new ATOM 964 N THR A 71 4.801 5.714 -15.310 1.00 0.00 N ATOM 965 CA THR A 71 3.564 6.031 -16.012 1.00 0.00 C ATOM 966 C THR A 71 3.386 7.538 -16.159 1.00 0.00 C ATOM 967 O THR A 71 3.876 8.327 -15.351 1.00 0.00 O ATOM 968 CB THR A 71 2.339 5.451 -15.281 1.00 0.00 C ATOM 969 OG1 THR A 71 2.304 5.925 -13.930 1.00 0.00 O ATOM 970 CG2 THR A 71 2.374 3.930 -15.289 1.00 0.00 C ATOM 0 H THR A 71 4.898 6.166 -14.401 1.00 0.00 H new ATOM 0 HA THR A 71 3.637 5.578 -17.001 1.00 0.00 H new ATOM 0 HB THR A 71 1.442 5.781 -15.805 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.521 5.553 -13.473 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.499 3.543 -14.767 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.370 3.571 -16.318 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.278 3.584 -14.787 1.00 0.00 H new ATOM 978 N PRO A 72 2.669 7.950 -17.215 1.00 0.00 N ATOM 979 CA PRO A 72 2.409 9.365 -17.493 1.00 0.00 C ATOM 980 C PRO A 72 1.457 9.990 -16.479 1.00 0.00 C ATOM 981 O PRO A 72 1.150 11.179 -16.553 1.00 0.00 O ATOM 982 CB PRO A 72 1.770 9.343 -18.883 1.00 0.00 C ATOM 983 CG PRO A 72 1.161 7.988 -18.999 1.00 0.00 C ATOM 984 CD PRO A 72 2.056 7.064 -18.220 1.00 0.00 C ATOM 0 HA PRO A 72 3.318 9.964 -17.436 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.018 10.125 -18.985 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.513 9.511 -19.663 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.148 7.980 -18.598 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.093 7.678 -20.042 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.492 6.257 -17.753 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.808 6.600 -18.858 1.00 0.00 H new ATOM 992 N GLU A 73 0.994 9.179 -15.532 1.00 0.00 N ATOM 993 CA GLU A 73 0.076 9.654 -14.503 1.00 0.00 C ATOM 994 C GLU A 73 0.793 9.813 -13.166 1.00 0.00 C ATOM 995 O GLU A 73 0.522 10.746 -12.411 1.00 0.00 O ATOM 996 CB GLU A 73 -1.100 8.687 -14.352 1.00 0.00 C ATOM 997 CG GLU A 73 -2.299 9.292 -13.641 1.00 0.00 C ATOM 998 CD GLU A 73 -3.137 10.168 -14.553 1.00 0.00 C ATOM 999 OE1 GLU A 73 -3.444 9.728 -15.681 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -3.485 11.293 -14.138 1.00 0.00 O ATOM 0 H GLU A 73 1.239 8.192 -15.456 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.302 10.629 -14.811 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.408 8.346 -15.340 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.767 7.807 -13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.921 8.492 -13.240 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.954 9.883 -12.793 1.00 0.00 H new ATOM 1007 N GLY A 74 1.709 8.893 -12.879 1.00 0.00 N ATOM 1008 CA GLY A 74 2.450 8.948 -11.632 1.00 0.00 C ATOM 1009 C GLY A 74 3.292 7.708 -11.403 1.00 0.00 C ATOM 1010 O GLY A 74 4.286 7.488 -12.095 1.00 0.00 O ATOM 0 H GLY A 74 1.951 8.111 -13.487 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.095 9.826 -11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.752 9.068 -10.803 1.00 0.00 H new ATOM 1014 N TYR A 75 2.895 6.897 -10.429 1.00 0.00 N ATOM 1015 CA TYR A 75 3.622 5.675 -10.108 1.00 0.00 C ATOM 1016 C TYR A 75 2.669 4.492 -9.978 1.00 0.00 C ATOM 1017 O TYR A 75 1.743 4.511 -9.166 1.00 0.00 O ATOM 1018 CB TYR A 75 4.412 5.853 -8.810 1.00 0.00 C ATOM 1019 CG TYR A 75 5.462 6.939 -8.884 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.347 7.004 -9.953 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.570 7.898 -7.885 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.309 7.994 -10.025 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.528 8.891 -7.949 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.395 8.935 -9.021 1.00 0.00 C ATOM 1025 OH TYR A 75 8.351 9.923 -9.088 1.00 0.00 O ATOM 0 H TYR A 75 2.073 7.064 -9.848 1.00 0.00 H new ATOM 0 HA TYR A 75 4.316 5.471 -10.923 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.719 6.084 -8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.895 4.909 -8.556 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.282 6.268 -10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.893 7.867 -7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.989 8.030 -10.863 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.598 9.629 -7.164 1.00 0.00 H new ATOM 0 HH TYR A 75 8.276 10.505 -8.303 1.00 0.00 H new ATOM 1035 N LYS A 76 2.902 3.461 -10.784 1.00 0.00 N ATOM 1036 CA LYS A 76 2.066 2.267 -10.760 1.00 0.00 C ATOM 1037 C LYS A 76 2.815 1.092 -10.138 1.00 0.00 C ATOM 1038 O LYS A 76 3.906 0.733 -10.582 1.00 0.00 O ATOM 1039 CB LYS A 76 1.617 1.905 -12.177 1.00 0.00 C ATOM 1040 CG LYS A 76 0.926 0.556 -12.271 1.00 0.00 C ATOM 1041 CD LYS A 76 0.945 0.017 -13.692 1.00 0.00 C ATOM 1042 CE LYS A 76 -0.166 -0.997 -13.918 1.00 0.00 C ATOM 1043 NZ LYS A 76 -0.134 -1.556 -15.298 1.00 0.00 N ATOM 0 H LYS A 76 3.663 3.429 -11.462 1.00 0.00 H new ATOM 0 HA LYS A 76 1.188 2.481 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.940 2.677 -12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.486 1.905 -12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.418 -0.153 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.105 0.650 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.836 0.841 -14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.910 -0.448 -13.893 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.070 -1.808 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.132 -0.524 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.699 -2.429 -15.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.529 -0.861 -15.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.849 -1.769 -15.564 1.00 0.00 H new ATOM 1057 N VAL A 77 2.221 0.495 -9.109 1.00 0.00 N ATOM 1058 CA VAL A 77 2.830 -0.641 -8.429 1.00 0.00 C ATOM 1059 C VAL A 77 2.007 -1.908 -8.630 1.00 0.00 C ATOM 1060 O VAL A 77 0.779 -1.879 -8.566 1.00 0.00 O ATOM 1061 CB VAL A 77 2.982 -0.375 -6.919 1.00 0.00 C ATOM 1062 CG1 VAL A 77 3.472 -1.625 -6.203 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.927 0.793 -6.677 1.00 0.00 C ATOM 0 H VAL A 77 1.318 0.780 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 77 3.818 -0.780 -8.868 1.00 0.00 H new ATOM 0 HB VAL A 77 2.005 -0.113 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.573 -1.418 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.755 -2.433 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.439 -1.921 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.023 0.967 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.906 0.562 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.530 1.688 -7.156 1.00 0.00 H new ATOM 1073 N MET A 78 2.693 -3.020 -8.873 1.00 0.00 N ATOM 1074 CA MET A 78 2.025 -4.299 -9.082 1.00 0.00 C ATOM 1075 C MET A 78 2.534 -5.346 -8.096 1.00 0.00 C ATOM 1076 O MET A 78 3.721 -5.382 -7.771 1.00 0.00 O ATOM 1077 CB MET A 78 2.244 -4.785 -10.517 1.00 0.00 C ATOM 1078 CG MET A 78 1.612 -3.884 -11.566 1.00 0.00 C ATOM 1079 SD MET A 78 2.322 -4.124 -13.206 1.00 0.00 S ATOM 1080 CE MET A 78 3.442 -2.729 -13.297 1.00 0.00 C ATOM 0 H MET A 78 3.711 -3.061 -8.930 1.00 0.00 H new ATOM 0 HA MET A 78 0.958 -4.155 -8.913 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.315 -4.857 -10.708 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.834 -5.790 -10.618 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.540 -4.077 -11.607 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.738 -2.843 -11.269 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.234 -2.153 -14.199 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.304 -2.094 -12.422 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.470 -3.089 -13.326 1.00 0.00 H new ATOM 1090 N TYR A 79 1.629 -6.196 -7.623 1.00 0.00 N ATOM 1091 CA TYR A 79 1.986 -7.241 -6.672 1.00 0.00 C ATOM 1092 C TYR A 79 1.021 -8.419 -6.769 1.00 0.00 C ATOM 1093 O TYR A 79 -0.186 -8.266 -6.579 1.00 0.00 O ATOM 1094 CB TYR A 79 1.987 -6.685 -5.247 1.00 0.00 C ATOM 1095 CG TYR A 79 0.604 -6.403 -4.706 1.00 0.00 C ATOM 1096 CD1 TYR A 79 -0.107 -7.379 -4.018 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.006 -5.161 -4.884 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.371 -7.126 -3.522 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -1.257 -4.899 -4.390 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.942 -5.884 -3.711 1.00 0.00 C ATOM 1101 OH TYR A 79 -3.201 -5.628 -3.219 1.00 0.00 O ATOM 0 H TYR A 79 0.643 -6.181 -7.883 1.00 0.00 H new ATOM 0 HA TYR A 79 2.988 -7.593 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.487 -7.396 -4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.571 -5.765 -5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.337 -8.352 -3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.538 -4.387 -5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.909 -7.896 -2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.706 -3.927 -4.535 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.463 -4.712 -3.450 1.00 0.00 H new ATOM 1111 N THR A 80 1.563 -9.596 -7.066 1.00 0.00 N ATOM 1112 CA THR A 80 0.752 -10.801 -7.189 1.00 0.00 C ATOM 1113 C THR A 80 1.004 -11.754 -6.027 1.00 0.00 C ATOM 1114 O THR A 80 2.016 -12.452 -5.972 1.00 0.00 O ATOM 1115 CB THR A 80 1.037 -11.537 -8.512 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.552 -10.765 -9.616 1.00 0.00 O ATOM 1117 CG2 THR A 80 0.381 -12.909 -8.520 1.00 0.00 C ATOM 0 H THR A 80 2.560 -9.740 -7.226 1.00 0.00 H new ATOM 0 HA THR A 80 -0.291 -10.483 -7.175 1.00 0.00 H new ATOM 0 HB THR A 80 2.115 -11.667 -8.605 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.738 -11.239 -10.453 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.596 -13.410 -9.464 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.773 -13.505 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.697 -12.797 -8.406 1.00 0.00 H new ATOM 1125 N PRO A 81 0.061 -11.788 -5.073 1.00 0.00 N ATOM 1126 CA PRO A 81 0.158 -12.653 -3.894 1.00 0.00 C ATOM 1127 C PRO A 81 -0.005 -14.129 -4.243 1.00 0.00 C ATOM 1128 O PRO A 81 -0.930 -14.508 -4.961 1.00 0.00 O ATOM 1129 CB PRO A 81 -1.001 -12.182 -3.012 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.984 -11.590 -3.962 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.172 -10.983 -5.073 1.00 0.00 C ATOM 0 HA PRO A 81 1.134 -12.580 -3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.438 -13.012 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.667 -11.448 -2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.663 -12.351 -4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.597 -10.835 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.691 -11.043 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.964 -9.929 -4.889 1.00 0.00 H new ATOM 1139 N MET A 82 0.900 -14.956 -3.731 1.00 0.00 N ATOM 1140 CA MET A 82 0.855 -16.391 -3.988 1.00 0.00 C ATOM 1141 C MET A 82 0.052 -17.111 -2.910 1.00 0.00 C ATOM 1142 O MET A 82 -0.612 -18.112 -3.181 1.00 0.00 O ATOM 1143 CB MET A 82 2.273 -16.964 -4.052 1.00 0.00 C ATOM 1144 CG MET A 82 2.338 -18.356 -4.659 1.00 0.00 C ATOM 1145 SD MET A 82 4.002 -19.051 -4.625 1.00 0.00 S ATOM 1146 CE MET A 82 4.201 -19.537 -6.337 1.00 0.00 C ATOM 0 H MET A 82 1.673 -14.658 -3.136 1.00 0.00 H new ATOM 0 HA MET A 82 0.364 -16.548 -4.948 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.902 -16.292 -4.636 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.689 -16.996 -3.045 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.661 -19.017 -4.117 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.986 -18.316 -5.690 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.185 -19.985 -6.476 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.431 -20.262 -6.601 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.108 -18.660 -6.977 1.00 0.00 H new ATOM 1156 N ALA A 83 0.117 -16.597 -1.686 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.606 -17.191 -0.568 1.00 0.00 C ATOM 1158 C ALA A 83 -1.432 -16.143 0.170 1.00 0.00 C ATOM 1159 O ALA A 83 -1.038 -14.983 0.296 1.00 0.00 O ATOM 1160 CB ALA A 83 0.365 -17.869 0.387 1.00 0.00 C ATOM 0 H ALA A 83 0.663 -15.770 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.290 -17.940 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.188 -18.308 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.908 -18.652 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.071 -17.133 0.771 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.605 -16.558 0.671 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.511 -15.669 1.405 1.00 0.00 C ATOM 1168 C PRO A 84 -2.956 -15.276 2.770 1.00 0.00 C ATOM 1169 O PRO A 84 -1.905 -15.760 3.187 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.779 -16.511 1.566 1.00 0.00 C ATOM 1171 CG PRO A 84 -4.308 -17.923 1.502 1.00 0.00 C ATOM 1172 CD PRO A 84 -3.137 -17.926 0.559 1.00 0.00 C ATOM 0 HA PRO A 84 -3.672 -14.727 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.275 -16.302 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.499 -16.298 0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.015 -18.282 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.099 -18.582 1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.394 -18.671 0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.444 -18.156 -0.462 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.671 -14.393 3.462 1.00 0.00 N ATOM 1181 CA GLY A 85 -3.234 -13.950 4.773 1.00 0.00 C ATOM 1182 C GLY A 85 -3.445 -12.463 4.982 1.00 0.00 C ATOM 1183 O GLY A 85 -4.505 -11.929 4.659 1.00 0.00 O ATOM 0 H GLY A 85 -4.544 -13.977 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.777 -14.502 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.177 -14.185 4.899 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.434 -11.794 5.527 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.515 -10.360 5.781 1.00 0.00 C ATOM 1189 C ASN A 86 -1.328 -9.630 5.162 1.00 0.00 C ATOM 1190 O ASN A 86 -0.175 -10.006 5.374 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.566 -10.091 7.286 1.00 0.00 C ATOM 1192 CG ASN A 86 -1.663 -11.023 8.071 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -0.447 -10.834 8.118 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -2.255 -12.036 8.692 1.00 0.00 N ATOM 0 H ASN A 86 -1.549 -12.222 5.801 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.429 -9.985 5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.273 -9.059 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.592 -10.202 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.699 -12.696 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.266 -12.154 8.626 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.618 -8.584 4.396 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.574 -7.802 3.744 1.00 0.00 C ATOM 1203 C TYR A 87 -0.622 -6.346 4.196 1.00 0.00 C ATOM 1204 O TYR A 87 -1.659 -5.858 4.649 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.723 -7.881 2.223 1.00 0.00 C ATOM 1206 CG TYR A 87 -0.258 -9.195 1.637 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.851 -10.394 2.013 1.00 0.00 C ATOM 1208 CD2 TYR A 87 0.773 -9.237 0.707 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.429 -11.597 1.480 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.200 -10.435 0.168 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.596 -11.612 0.558 1.00 0.00 C ATOM 1212 OH TYR A 87 1.020 -12.808 0.024 1.00 0.00 O ATOM 0 H TYR A 87 -2.567 -8.258 4.211 1.00 0.00 H new ATOM 0 HA TYR A 87 0.391 -8.221 4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.769 -7.726 1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.156 -7.069 1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.655 -10.386 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.249 -8.317 0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.899 -12.520 1.784 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.002 -10.450 -0.555 1.00 0.00 H new ATOM 0 HH TYR A 87 0.325 -13.488 0.151 1.00 0.00 H new ATOM 1222 N LEU A 88 0.506 -5.656 4.068 1.00 0.00 N ATOM 1223 CA LEU A 88 0.594 -4.254 4.462 1.00 0.00 C ATOM 1224 C LEU A 88 1.382 -3.448 3.435 1.00 0.00 C ATOM 1225 O LEU A 88 2.520 -3.786 3.107 1.00 0.00 O ATOM 1226 CB LEU A 88 1.253 -4.131 5.838 1.00 0.00 C ATOM 1227 CG LEU A 88 0.867 -2.901 6.659 1.00 0.00 C ATOM 1228 CD1 LEU A 88 -0.550 -3.039 7.194 1.00 0.00 C ATOM 1229 CD2 LEU A 88 1.851 -2.691 7.800 1.00 0.00 C ATOM 0 H LEU A 88 1.372 -6.044 3.695 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.418 -3.852 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.008 -5.021 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.334 -4.127 5.702 1.00 0.00 H new ATOM 0 HG LEU A 88 0.904 -2.028 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.807 -2.154 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.245 -3.140 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.615 -3.922 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.560 -1.811 8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.846 -3.566 8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.852 -2.546 7.395 1.00 0.00 H new ATOM 1241 N ILE A 89 0.771 -2.381 2.932 1.00 0.00 N ATOM 1242 CA ILE A 89 1.417 -1.525 1.945 1.00 0.00 C ATOM 1243 C ILE A 89 1.724 -0.150 2.527 1.00 0.00 C ATOM 1244 O ILE A 89 0.836 0.531 3.040 1.00 0.00 O ATOM 1245 CB ILE A 89 0.542 -1.355 0.689 1.00 0.00 C ATOM 1246 CG1 ILE A 89 0.057 -2.718 0.190 1.00 0.00 C ATOM 1247 CG2 ILE A 89 1.316 -0.630 -0.402 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -1.010 -2.626 -0.878 1.00 0.00 C ATOM 0 H ILE A 89 -0.171 -2.089 3.192 1.00 0.00 H new ATOM 0 HA ILE A 89 2.350 -2.014 1.665 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.329 -0.754 0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.907 -3.275 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.333 -3.287 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.684 -0.518 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.616 0.354 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.203 -1.207 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.306 -3.629 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.877 -2.097 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.617 -2.085 -1.739 1.00 0.00 H new ATOM 1260 N SER A 90 2.988 0.254 2.441 1.00 0.00 N ATOM 1261 CA SER A 90 3.414 1.548 2.961 1.00 0.00 C ATOM 1262 C SER A 90 3.656 2.537 1.825 1.00 0.00 C ATOM 1263 O SER A 90 4.013 2.147 0.712 1.00 0.00 O ATOM 1264 CB SER A 90 4.686 1.392 3.797 1.00 0.00 C ATOM 1265 OG SER A 90 4.450 0.588 4.939 1.00 0.00 O ATOM 0 H SER A 90 3.734 -0.296 2.016 1.00 0.00 H new ATOM 0 HA SER A 90 2.617 1.937 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.472 0.944 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.044 2.374 4.107 1.00 0.00 H new ATOM 0 HG SER A 90 5.278 0.502 5.456 1.00 0.00 H new ATOM 1271 N VAL A 91 3.460 3.819 2.113 1.00 0.00 N ATOM 1272 CA VAL A 91 3.658 4.866 1.117 1.00 0.00 C ATOM 1273 C VAL A 91 4.238 6.125 1.750 1.00 0.00 C ATOM 1274 O VAL A 91 3.785 6.567 2.807 1.00 0.00 O ATOM 1275 CB VAL A 91 2.338 5.222 0.407 1.00 0.00 C ATOM 1276 CG1 VAL A 91 2.559 6.337 -0.604 1.00 0.00 C ATOM 1277 CG2 VAL A 91 1.746 3.992 -0.264 1.00 0.00 C ATOM 0 H VAL A 91 3.164 4.158 3.028 1.00 0.00 H new ATOM 0 HA VAL A 91 4.363 4.475 0.383 1.00 0.00 H new ATOM 0 HB VAL A 91 1.628 5.577 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.616 6.575 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.935 7.223 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.285 6.013 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.814 4.262 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.450 3.604 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.549 3.227 0.487 1.00 0.00 H new ATOM 1287 N LYS A 92 5.242 6.700 1.098 1.00 0.00 N ATOM 1288 CA LYS A 92 5.884 7.911 1.596 1.00 0.00 C ATOM 1289 C LYS A 92 6.185 8.876 0.453 1.00 0.00 C ATOM 1290 O LYS A 92 6.839 8.511 -0.525 1.00 0.00 O ATOM 1291 CB LYS A 92 7.177 7.561 2.335 1.00 0.00 C ATOM 1292 CG LYS A 92 6.951 6.795 3.627 1.00 0.00 C ATOM 1293 CD LYS A 92 8.259 6.293 4.215 1.00 0.00 C ATOM 1294 CE LYS A 92 8.709 5.001 3.551 1.00 0.00 C ATOM 1295 NZ LYS A 92 9.882 4.400 4.244 1.00 0.00 N ATOM 0 H LYS A 92 5.629 6.347 0.223 1.00 0.00 H new ATOM 0 HA LYS A 92 5.197 8.398 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.812 6.968 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.719 8.480 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.450 7.439 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.288 5.951 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.030 7.054 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.139 6.130 5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.885 4.288 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.964 5.198 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.158 3.521 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.677 5.070 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.631 4.188 5.231 1.00 0.00 H new ATOM 1309 N TYR A 93 5.706 10.108 0.584 1.00 0.00 N ATOM 1310 CA TYR A 93 5.924 11.125 -0.438 1.00 0.00 C ATOM 1311 C TYR A 93 6.515 12.393 0.171 1.00 0.00 C ATOM 1312 O TYR A 93 6.163 12.782 1.284 1.00 0.00 O ATOM 1313 CB TYR A 93 4.610 11.453 -1.149 1.00 0.00 C ATOM 1314 CG TYR A 93 4.791 11.890 -2.585 1.00 0.00 C ATOM 1315 CD1 TYR A 93 5.342 11.031 -3.529 1.00 0.00 C ATOM 1316 CD2 TYR A 93 4.412 13.161 -2.998 1.00 0.00 C ATOM 1317 CE1 TYR A 93 5.510 11.427 -4.842 1.00 0.00 C ATOM 1318 CE2 TYR A 93 4.575 13.564 -4.310 1.00 0.00 C ATOM 1319 CZ TYR A 93 5.124 12.694 -5.228 1.00 0.00 C ATOM 1320 OH TYR A 93 5.290 13.092 -6.534 1.00 0.00 O ATOM 0 H TYR A 93 5.164 10.427 1.387 1.00 0.00 H new ATOM 0 HA TYR A 93 6.634 10.727 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.964 10.575 -1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.097 12.242 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.644 10.038 -3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.983 13.846 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.941 10.748 -5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.274 14.555 -4.615 1.00 0.00 H new ATOM 0 HH TYR A 93 5.041 14.036 -6.622 1.00 0.00 H new ATOM 1330 N GLY A 94 7.415 13.033 -0.568 1.00 0.00 N ATOM 1331 CA GLY A 94 8.041 14.250 -0.086 1.00 0.00 C ATOM 1332 C GLY A 94 8.482 14.141 1.360 1.00 0.00 C ATOM 1333 O GLY A 94 7.838 14.686 2.256 1.00 0.00 O ATOM 0 H GLY A 94 7.722 12.730 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.904 14.482 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.342 15.080 -0.188 1.00 0.00 H new ATOM 1337 N GLY A 95 9.584 13.433 1.590 1.00 0.00 N ATOM 1338 CA GLY A 95 10.091 13.266 2.940 1.00 0.00 C ATOM 1339 C GLY A 95 9.442 12.102 3.662 1.00 0.00 C ATOM 1340 O GLY A 95 8.609 11.386 3.107 1.00 0.00 O ATOM 0 H GLY A 95 10.135 12.972 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.169 13.111 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.919 14.182 3.505 1.00 0.00 H new ATOM 1344 N PRO A 96 9.828 11.899 4.931 1.00 0.00 N ATOM 1345 CA PRO A 96 9.292 10.813 5.757 1.00 0.00 C ATOM 1346 C PRO A 96 7.832 11.038 6.134 1.00 0.00 C ATOM 1347 O PRO A 96 7.234 10.234 6.848 1.00 0.00 O ATOM 1348 CB PRO A 96 10.178 10.846 7.005 1.00 0.00 C ATOM 1349 CG PRO A 96 10.675 12.248 7.079 1.00 0.00 C ATOM 1350 CD PRO A 96 10.817 12.713 5.656 1.00 0.00 C ATOM 0 HA PRO A 96 9.306 9.857 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.614 10.578 7.898 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.002 10.137 6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.978 12.881 7.628 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.630 12.296 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.609 13.779 5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.826 12.549 5.279 1.00 0.00 H new ATOM 1358 N ASN A 97 7.263 12.137 5.648 1.00 0.00 N ATOM 1359 CA ASN A 97 5.872 12.468 5.935 1.00 0.00 C ATOM 1360 C ASN A 97 4.926 11.624 5.087 1.00 0.00 C ATOM 1361 O ASN A 97 4.699 11.915 3.913 1.00 0.00 O ATOM 1362 CB ASN A 97 5.616 13.955 5.678 1.00 0.00 C ATOM 1363 CG ASN A 97 6.581 14.847 6.434 1.00 0.00 C ATOM 1364 OD1 ASN A 97 6.680 14.775 7.659 1.00 0.00 O ATOM 1365 ND2 ASN A 97 7.299 15.694 5.705 1.00 0.00 N ATOM 0 H ASN A 97 7.744 12.813 5.054 1.00 0.00 H new ATOM 0 HA ASN A 97 5.682 12.250 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.700 14.156 4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.595 14.201 5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.965 16.319 6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.184 15.719 4.692 1.00 0.00 H new ATOM 1372 N HIS A 98 4.375 10.575 5.691 1.00 0.00 N ATOM 1373 CA HIS A 98 3.452 9.688 4.992 1.00 0.00 C ATOM 1374 C HIS A 98 2.235 10.458 4.488 1.00 0.00 C ATOM 1375 O HIS A 98 2.063 11.637 4.798 1.00 0.00 O ATOM 1376 CB HIS A 98 3.005 8.553 5.914 1.00 0.00 C ATOM 1377 CG HIS A 98 2.106 9.002 7.025 1.00 0.00 C ATOM 1378 ND1 HIS A 98 0.871 8.440 7.267 1.00 0.00 N ATOM 1379 CD2 HIS A 98 2.270 9.965 7.962 1.00 0.00 C ATOM 1380 CE1 HIS A 98 0.313 9.038 8.304 1.00 0.00 C ATOM 1381 NE2 HIS A 98 1.142 9.968 8.745 1.00 0.00 N ATOM 0 H HIS A 98 4.552 10.319 6.662 1.00 0.00 H new ATOM 0 HA HIS A 98 3.974 9.265 4.134 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.488 7.798 5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.886 8.075 6.342 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.128 10.611 8.073 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -0.656 8.806 8.721 1.00 0.00 H new ATOM 0 HE2 HIS A 98 0.972 10.587 9.538 1.00 0.00 H new ATOM 1389 N ILE A 99 1.396 9.785 3.709 1.00 0.00 N ATOM 1390 CA ILE A 99 0.196 10.406 3.162 1.00 0.00 C ATOM 1391 C ILE A 99 -1.064 9.784 3.754 1.00 0.00 C ATOM 1392 O ILE A 99 -1.013 8.720 4.371 1.00 0.00 O ATOM 1393 CB ILE A 99 0.145 10.280 1.628 1.00 0.00 C ATOM 1394 CG1 ILE A 99 0.165 8.807 1.215 1.00 0.00 C ATOM 1395 CG2 ILE A 99 1.309 11.029 0.996 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -0.515 8.541 -0.110 1.00 0.00 C ATOM 0 H ILE A 99 1.525 8.809 3.442 1.00 0.00 H new ATOM 0 HA ILE A 99 0.238 11.462 3.430 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.784 10.725 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.199 8.468 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.322 8.214 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.259 10.931 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.254 12.083 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.249 10.611 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.462 7.477 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.559 8.848 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.014 9.106 -0.896 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.196 10.453 3.560 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.471 9.965 4.072 1.00 0.00 C ATOM 1410 C VAL A 100 -3.800 8.589 3.503 1.00 0.00 C ATOM 1411 O VAL A 100 -3.469 8.284 2.359 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.619 10.935 3.738 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -5.137 10.685 2.330 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -5.740 10.805 4.758 1.00 0.00 C ATOM 0 H VAL A 100 -2.256 11.335 3.052 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.371 9.893 5.155 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.235 11.954 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.948 11.380 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.329 10.834 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.506 9.662 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.543 11.498 4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.124 9.785 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.357 11.039 5.751 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.457 7.762 4.311 1.00 0.00 N ATOM 1425 CA GLY A 101 -4.821 6.429 3.871 1.00 0.00 C ATOM 1426 C GLY A 101 -3.838 5.374 4.339 1.00 0.00 C ATOM 1427 O GLY A 101 -4.234 4.279 4.737 1.00 0.00 O ATOM 0 H GLY A 101 -4.743 7.992 5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.816 6.186 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.877 6.412 2.783 1.00 0.00 H new ATOM 1431 N SER A 102 -2.551 5.704 4.291 1.00 0.00 N ATOM 1432 CA SER A 102 -1.508 4.775 4.708 1.00 0.00 C ATOM 1433 C SER A 102 -1.243 4.893 6.206 1.00 0.00 C ATOM 1434 O SER A 102 -1.458 5.938 6.820 1.00 0.00 O ATOM 1435 CB SER A 102 -0.218 5.040 3.928 1.00 0.00 C ATOM 1436 OG SER A 102 0.923 4.731 4.710 1.00 0.00 O ATOM 0 H SER A 102 -2.206 6.608 3.967 1.00 0.00 H new ATOM 0 HA SER A 102 -1.851 3.762 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.211 4.442 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.182 6.086 3.623 1.00 0.00 H new ATOM 0 HG SER A 102 1.729 5.054 4.255 1.00 0.00 H new ATOM 1442 N PRO A 103 -0.764 3.795 6.809 1.00 0.00 N ATOM 1443 CA PRO A 103 -0.504 2.545 6.089 1.00 0.00 C ATOM 1444 C PRO A 103 -1.789 1.857 5.639 1.00 0.00 C ATOM 1445 O PRO A 103 -2.801 1.892 6.339 1.00 0.00 O ATOM 1446 CB PRO A 103 0.229 1.686 7.121 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.218 2.215 8.440 1.00 0.00 C ATOM 1448 CD PRO A 103 -0.440 3.688 8.242 1.00 0.00 C ATOM 0 HA PRO A 103 0.064 2.713 5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.025 0.632 7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.310 1.767 7.008 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.134 1.723 8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.534 2.034 9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.253 4.059 8.866 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.448 4.266 8.497 1.00 0.00 H new ATOM 1456 N PHE A 104 -1.741 1.231 4.468 1.00 0.00 N ATOM 1457 CA PHE A 104 -2.902 0.535 3.925 1.00 0.00 C ATOM 1458 C PHE A 104 -2.929 -0.919 4.386 1.00 0.00 C ATOM 1459 O PHE A 104 -1.981 -1.672 4.158 1.00 0.00 O ATOM 1460 CB PHE A 104 -2.892 0.598 2.396 1.00 0.00 C ATOM 1461 CG PHE A 104 -3.028 1.991 1.852 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.192 2.716 2.051 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -1.992 2.577 1.143 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.320 3.998 1.550 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -2.114 3.859 0.641 1.00 0.00 C ATOM 1466 CZ PHE A 104 -3.280 4.570 0.846 1.00 0.00 C ATOM 0 H PHE A 104 -0.911 1.191 3.877 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.799 1.032 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.963 0.162 2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.706 -0.015 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.008 2.275 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.078 2.025 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.233 4.552 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.299 4.304 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.378 5.572 0.456 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.021 -1.308 5.035 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.173 -2.671 5.528 1.00 0.00 C ATOM 1478 C LYS A 105 -5.151 -3.457 4.661 1.00 0.00 C ATOM 1479 O LYS A 105 -6.359 -3.227 4.705 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.659 -2.659 6.980 1.00 0.00 C ATOM 1481 CG LYS A 105 -6.041 -2.053 7.154 1.00 0.00 C ATOM 1482 CD LYS A 105 -6.309 -1.681 8.602 1.00 0.00 C ATOM 1483 CE LYS A 105 -5.527 -0.443 9.014 1.00 0.00 C ATOM 1484 NZ LYS A 105 -6.117 0.212 10.214 1.00 0.00 N ATOM 0 H LYS A 105 -4.814 -0.698 5.232 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.199 -3.158 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.669 -3.681 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.947 -2.100 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.132 -1.166 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.796 -2.762 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.375 -1.502 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.039 -2.515 9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.493 -0.719 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.507 0.266 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.556 1.051 10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.095 0.499 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.113 -0.456 11.011 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.621 -4.387 3.873 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.447 -5.209 2.998 1.00 0.00 C ATOM 1500 C ALA A 106 -5.423 -6.670 3.434 1.00 0.00 C ATOM 1501 O ALA A 106 -4.473 -7.123 4.073 1.00 0.00 O ATOM 1502 CB ALA A 106 -4.980 -5.079 1.556 1.00 0.00 C ATOM 0 H ALA A 106 -3.623 -4.590 3.823 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.475 -4.853 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.606 -5.698 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.055 -4.038 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.944 -5.407 1.478 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.474 -7.404 3.085 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.575 -8.815 3.439 1.00 0.00 C ATOM 1510 C LYS A 107 -6.761 -9.677 2.194 1.00 0.00 C ATOM 1511 O LYS A 107 -7.571 -9.360 1.323 1.00 0.00 O ATOM 1512 CB LYS A 107 -7.741 -9.038 4.405 1.00 0.00 C ATOM 1513 CG LYS A 107 -7.945 -10.494 4.787 1.00 0.00 C ATOM 1514 CD LYS A 107 -7.115 -10.873 6.002 1.00 0.00 C ATOM 1515 CE LYS A 107 -7.792 -10.446 7.295 1.00 0.00 C ATOM 1516 NZ LYS A 107 -8.803 -11.442 7.746 1.00 0.00 N ATOM 0 H LYS A 107 -7.269 -7.045 2.557 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.645 -9.108 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.569 -8.455 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.656 -8.659 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.000 -10.672 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.674 -11.133 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.955 -11.951 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.133 -10.406 5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.040 -10.314 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.274 -9.479 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.242 -11.115 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.535 -11.549 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.339 -12.358 7.908 1.00 0.00 H new ATOM 1530 N VAL A 108 -6.006 -10.768 2.117 1.00 0.00 N ATOM 1531 CA VAL A 108 -6.089 -11.677 0.980 1.00 0.00 C ATOM 1532 C VAL A 108 -7.063 -12.817 1.258 1.00 0.00 C ATOM 1533 O VAL A 108 -7.191 -13.277 2.394 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.710 -12.267 0.631 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.774 -13.032 -0.682 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.661 -11.168 0.568 1.00 0.00 C ATOM 0 H VAL A 108 -5.330 -11.044 2.829 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.450 -11.093 0.133 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.423 -12.966 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.791 -13.442 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.495 -13.845 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.083 -12.358 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.693 -11.603 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.939 -10.443 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.598 -10.669 1.535 1.00 0.00 H new ATOM 1546 N THR A 109 -7.748 -13.271 0.214 1.00 0.00 N ATOM 1547 CA THR A 109 -8.711 -14.357 0.345 1.00 0.00 C ATOM 1548 C THR A 109 -8.708 -15.247 -0.893 1.00 0.00 C ATOM 1549 O THR A 109 -8.782 -14.759 -2.020 1.00 0.00 O ATOM 1550 CB THR A 109 -10.137 -13.820 0.573 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.540 -13.013 -0.539 1.00 0.00 O ATOM 1552 CG2 THR A 109 -10.207 -13.000 1.853 1.00 0.00 C ATOM 0 H THR A 109 -7.654 -12.903 -0.733 1.00 0.00 H new ATOM 0 HA THR A 109 -8.409 -14.944 1.212 1.00 0.00 H new ATOM 0 HB THR A 109 -10.812 -14.671 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 109 -10.035 -13.278 -1.336 1.00 0.00 H new ATOM 0 HG21 THR A 109 -11.223 -12.631 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.927 -13.625 2.701 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.521 -12.156 1.782 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.623 -16.556 -0.675 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.612 -17.493 -1.783 1.00 0.00 C ATOM 1562 C GLY A 110 -7.920 -18.795 -1.434 1.00 0.00 C ATOM 1563 O GLY A 110 -7.396 -18.950 -0.332 1.00 0.00 O ATOM 0 H GLY A 110 -8.562 -16.984 0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.637 -17.701 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.111 -17.036 -2.636 1.00 0.00 H new ATOM 1567 N GLN A 111 -7.918 -19.733 -2.376 1.00 0.00 N ATOM 1568 CA GLN A 111 -7.286 -21.030 -2.161 1.00 0.00 C ATOM 1569 C GLN A 111 -5.797 -20.971 -2.486 1.00 0.00 C ATOM 1570 O GLN A 111 -5.397 -20.414 -3.508 1.00 0.00 O ATOM 1571 CB GLN A 111 -7.965 -22.100 -3.017 1.00 0.00 C ATOM 1572 CG GLN A 111 -9.430 -22.314 -2.674 1.00 0.00 C ATOM 1573 CD GLN A 111 -10.185 -23.046 -3.767 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -11.075 -22.484 -4.406 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -9.831 -24.306 -3.989 1.00 0.00 N ATOM 0 H GLN A 111 -8.346 -19.619 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 111 -7.399 -21.291 -1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -7.884 -21.819 -4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -7.431 -23.043 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.503 -22.880 -1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -9.902 -21.348 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.088 -24.732 -3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.302 -24.848 -4.713 1.00 0.00 H new ATOM 1584 N ARG A 112 -4.982 -21.547 -1.609 1.00 0.00 N ATOM 1585 CA ARG A 112 -3.537 -21.558 -1.802 1.00 0.00 C ATOM 1586 C ARG A 112 -3.181 -22.012 -3.214 1.00 0.00 C ATOM 1587 O ARG A 112 -3.734 -22.988 -3.722 1.00 0.00 O ATOM 1588 CB ARG A 112 -2.871 -22.477 -0.776 1.00 0.00 C ATOM 1589 CG ARG A 112 -2.760 -21.864 0.610 1.00 0.00 C ATOM 1590 CD ARG A 112 -2.150 -22.840 1.604 1.00 0.00 C ATOM 1591 NE ARG A 112 -3.142 -23.768 2.139 1.00 0.00 N ATOM 1592 CZ ARG A 112 -3.953 -23.475 3.149 1.00 0.00 C ATOM 1593 NH1 ARG A 112 -3.891 -22.285 3.731 1.00 0.00 N ATOM 1594 NH2 ARG A 112 -4.830 -24.374 3.579 1.00 0.00 N ATOM 0 H ARG A 112 -5.298 -22.012 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.169 -20.542 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.439 -23.405 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.874 -22.739 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.149 -20.962 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.749 -21.562 0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.353 -23.402 1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.694 -22.285 2.424 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.216 -24.692 1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.219 -21.591 3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.515 -22.063 4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.881 -25.290 3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.453 -24.149 4.355 1.00 0.00 H new ATOM 1608 N LEU A 113 -2.254 -21.298 -3.844 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.824 -21.627 -5.198 1.00 0.00 C ATOM 1610 C LEU A 113 -0.498 -22.382 -5.180 1.00 0.00 C ATOM 1611 O LEU A 113 0.496 -21.925 -5.744 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.687 -20.353 -6.034 1.00 0.00 C ATOM 1613 CG LEU A 113 -2.988 -19.616 -6.352 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -2.726 -18.452 -7.294 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -4.010 -20.571 -6.952 1.00 0.00 C ATOM 0 H LEU A 113 -1.786 -20.488 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.581 -22.270 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.023 -19.667 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -1.199 -20.610 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.394 -19.219 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.664 -17.940 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.030 -17.755 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.296 -18.826 -8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.930 -20.029 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.612 -20.999 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.221 -21.371 -6.242 1.00 0.00 H new