USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 MET CE :methyl -121:sc=-0.00451 (180deg=-0.95) USER MOD Set 1.2: A 83 SER OG : rot -6:sc= -0.291 USER MOD Set 2.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 68 CYS SG : rot -170:sc= -1.08 USER MOD Single : A 37 THR OG1 : rot 24:sc= 0.101 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -15:sc= -1.2 USER MOD Single : A 42 THR OG1 : rot 71:sc= -0.643 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.1 K(o=1.1,f=-1.7!) USER MOD Single : A 54 ASN : amide:sc= -5.43! C(o=-5.4!,f=-11!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.794 X(o=-0.79,f=-1.2) USER MOD Single : A 60 GLN : amide:sc= -0.288 K(o=-0.29,f=0.62) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 165:sc= -0.518 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 29:sc= 0.31 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 93 SER OG : rot 178:sc= -1.92! USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= -0.429 (180deg=-0.432) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 95:sc= 0.679 USER MOD Single : A 101 ASN : amide:sc= -0.592 K(o=-0.59,f=-5.3!) USER MOD Single : A 103 LYS NZ :NH3+ -167:sc= -0.0455 (180deg=-0.292) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 162:sc= -0.0296 (180deg=-0.239) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.375 8.193 9.143 1.00 0.00 N ATOM 231 CA ILE A 35 1.303 8.182 7.688 1.00 0.00 C ATOM 232 C ILE A 35 0.214 9.123 7.183 1.00 0.00 C ATOM 233 O ILE A 35 -0.938 9.039 7.608 1.00 0.00 O ATOM 234 CB ILE A 35 1.031 6.765 7.149 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.132 5.803 7.600 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.927 6.786 5.631 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.792 4.347 7.376 1.00 0.00 C ATOM 0 HA ILE A 35 2.272 8.522 7.322 1.00 0.00 H new ATOM 0 HB ILE A 35 0.081 6.415 7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.051 6.039 7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.331 5.962 8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.735 5.777 5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.110 7.442 5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.862 7.153 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.618 3.724 7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.890 4.094 7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.622 4.172 6.314 1.00 0.00 H new ATOM 249 N GLU A 36 0.588 10.019 6.274 1.00 0.00 N ATOM 250 CA GLU A 36 -0.357 10.976 5.712 1.00 0.00 C ATOM 251 C GLU A 36 -0.873 10.498 4.357 1.00 0.00 C ATOM 252 O GLU A 36 -0.098 10.276 3.426 1.00 0.00 O ATOM 253 CB GLU A 36 0.300 12.350 5.564 1.00 0.00 C ATOM 254 CG GLU A 36 0.769 12.944 6.880 1.00 0.00 C ATOM 255 CD GLU A 36 1.255 14.374 6.734 1.00 0.00 C ATOM 256 OE1 GLU A 36 1.605 14.769 5.603 1.00 0.00 O ATOM 257 OE2 GLU A 36 1.285 15.096 7.752 1.00 0.00 O ATOM 0 H GLU A 36 1.538 10.101 5.912 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.202 11.058 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.152 12.265 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.409 13.034 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.049 12.914 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.573 12.330 7.285 1.00 0.00 H new ATOM 264 N THR A 37 -2.190 10.340 4.255 1.00 0.00 N ATOM 265 CA THR A 37 -2.811 9.888 3.017 1.00 0.00 C ATOM 266 C THR A 37 -3.875 10.871 2.543 1.00 0.00 C ATOM 267 O THR A 37 -4.705 11.329 3.328 1.00 0.00 O ATOM 268 CB THR A 37 -3.452 8.497 3.185 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.531 8.565 4.123 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.424 7.481 3.659 1.00 0.00 C ATOM 0 H THR A 37 -2.846 10.519 5.015 1.00 0.00 H new ATOM 0 HA THR A 37 -2.019 9.828 2.271 1.00 0.00 H new ATOM 0 HB THR A 37 -3.834 8.178 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.874 9.482 4.161 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.900 6.507 3.770 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.619 7.410 2.928 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.016 7.797 4.619 1.00 0.00 H new ATOM 278 N VAL A 38 -3.846 11.192 1.253 1.00 0.00 N ATOM 279 CA VAL A 38 -4.810 12.121 0.675 1.00 0.00 C ATOM 280 C VAL A 38 -6.102 11.406 0.296 1.00 0.00 C ATOM 281 O VAL A 38 -6.256 10.209 0.538 1.00 0.00 O ATOM 282 CB VAL A 38 -4.237 12.819 -0.574 1.00 0.00 C ATOM 283 CG1 VAL A 38 -3.037 13.676 -0.203 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.863 11.793 -1.632 1.00 0.00 C ATOM 0 H VAL A 38 -3.166 10.823 0.589 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.023 12.871 1.436 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.005 13.472 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.646 14.161 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.341 14.435 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.263 13.047 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.460 12.303 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.112 11.113 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.749 11.226 -1.918 1.00 0.00 H new ATOM 294 N SER A 39 -7.029 12.149 -0.301 1.00 0.00 N ATOM 295 CA SER A 39 -8.311 11.587 -0.710 1.00 0.00 C ATOM 296 C SER A 39 -8.310 11.265 -2.202 1.00 0.00 C ATOM 297 O SER A 39 -8.695 10.169 -2.612 1.00 0.00 O ATOM 298 CB SER A 39 -9.445 12.561 -0.388 1.00 0.00 C ATOM 299 OG SER A 39 -10.673 11.876 -0.216 1.00 0.00 O ATOM 0 H SER A 39 -6.916 13.141 -0.512 1.00 0.00 H new ATOM 0 HA SER A 39 -8.469 10.662 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.205 13.116 0.519 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.541 13.290 -1.192 1.00 0.00 H new ATOM 0 HG SER A 39 -11.381 12.521 -0.009 1.00 0.00 H new ATOM 305 N TYR A 40 -7.877 12.228 -3.008 1.00 0.00 N ATOM 306 CA TYR A 40 -7.828 12.049 -4.455 1.00 0.00 C ATOM 307 C TYR A 40 -6.918 10.883 -4.829 1.00 0.00 C ATOM 308 O TYR A 40 -6.189 10.356 -3.991 1.00 0.00 O ATOM 309 CB TYR A 40 -7.340 13.330 -5.132 1.00 0.00 C ATOM 310 CG TYR A 40 -6.050 13.866 -4.554 1.00 0.00 C ATOM 311 CD1 TYR A 40 -6.054 14.663 -3.416 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.826 13.577 -5.147 1.00 0.00 C ATOM 313 CE1 TYR A 40 -4.877 15.156 -2.884 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.645 14.063 -4.621 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.676 14.853 -3.490 1.00 0.00 C ATOM 316 OH TYR A 40 -2.502 15.341 -2.964 1.00 0.00 O ATOM 0 H TYR A 40 -7.555 13.140 -2.685 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.836 11.825 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.200 13.138 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.113 14.094 -5.045 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.993 14.902 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.798 12.962 -6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.898 15.775 -1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.703 13.826 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.702 16.060 -2.329 1.00 0.00 H new ATOM 326 N ALA A 41 -6.967 10.486 -6.098 1.00 0.00 N ATOM 327 CA ALA A 41 -6.146 9.387 -6.585 1.00 0.00 C ATOM 328 C ALA A 41 -4.689 9.813 -6.738 1.00 0.00 C ATOM 329 O ALA A 41 -4.400 10.917 -7.201 1.00 0.00 O ATOM 330 CB ALA A 41 -6.688 8.870 -7.910 1.00 0.00 C ATOM 0 H ALA A 41 -7.567 10.910 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.186 8.584 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.064 8.048 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.710 8.517 -7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.678 9.674 -8.646 1.00 0.00 H new ATOM 336 N THR A 42 -3.775 8.932 -6.346 1.00 0.00 N ATOM 337 CA THR A 42 -2.349 9.218 -6.437 1.00 0.00 C ATOM 338 C THR A 42 -1.574 8.002 -6.933 1.00 0.00 C ATOM 339 O THR A 42 -1.735 6.899 -6.411 1.00 0.00 O ATOM 340 CB THR A 42 -1.776 9.659 -5.078 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.077 8.679 -4.078 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.345 11.007 -4.662 1.00 0.00 C ATOM 0 H THR A 42 -3.997 8.013 -5.962 1.00 0.00 H new ATOM 0 HA THR A 42 -2.236 10.033 -7.152 1.00 0.00 H new ATOM 0 HB THR A 42 -0.695 9.755 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.544 7.873 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.925 11.297 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.089 11.757 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.429 10.934 -4.578 1.00 0.00 H new ATOM 350 N GLN A 43 -0.733 8.212 -7.941 1.00 0.00 N ATOM 351 CA GLN A 43 0.066 7.131 -8.506 1.00 0.00 C ATOM 352 C GLN A 43 0.646 6.251 -7.404 1.00 0.00 C ATOM 353 O GLN A 43 0.814 5.044 -7.584 1.00 0.00 O ATOM 354 CB GLN A 43 1.195 7.700 -9.367 1.00 0.00 C ATOM 355 CG GLN A 43 0.725 8.230 -10.712 1.00 0.00 C ATOM 356 CD GLN A 43 1.833 8.918 -11.486 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.047 10.123 -11.348 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.542 8.154 -12.308 1.00 0.00 N ATOM 0 H GLN A 43 -0.588 9.120 -8.383 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.585 6.519 -9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.688 8.504 -8.821 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.942 6.923 -9.532 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.330 7.406 -11.305 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.094 8.932 -10.556 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.330 7.160 -12.391 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.299 8.561 -12.857 1.00 0.00 H new ATOM 367 N SER A 44 0.949 6.861 -6.263 1.00 0.00 N ATOM 368 CA SER A 44 1.515 6.133 -5.133 1.00 0.00 C ATOM 369 C SER A 44 0.411 5.576 -4.239 1.00 0.00 C ATOM 370 O SER A 44 -0.695 6.115 -4.189 1.00 0.00 O ATOM 371 CB SER A 44 2.435 7.045 -4.319 1.00 0.00 C ATOM 372 OG SER A 44 3.543 7.473 -5.093 1.00 0.00 O ATOM 0 H SER A 44 0.812 7.858 -6.096 1.00 0.00 H new ATOM 0 HA SER A 44 2.098 5.299 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.875 7.912 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.788 6.515 -3.435 1.00 0.00 H new ATOM 0 HG SER A 44 4.115 8.056 -4.551 1.00 0.00 H new ATOM 378 N LEU A 45 0.720 4.492 -3.535 1.00 0.00 N ATOM 379 CA LEU A 45 -0.245 3.861 -2.641 1.00 0.00 C ATOM 380 C LEU A 45 0.453 3.255 -1.426 1.00 0.00 C ATOM 381 O LEU A 45 1.565 2.739 -1.531 1.00 0.00 O ATOM 382 CB LEU A 45 -1.027 2.778 -3.386 1.00 0.00 C ATOM 383 CG LEU A 45 -2.001 3.271 -4.457 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.389 2.134 -5.390 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.237 3.882 -3.814 1.00 0.00 C ATOM 0 H LEU A 45 1.630 4.032 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.938 4.628 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.314 2.101 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.587 2.194 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.504 4.042 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.082 2.504 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.496 1.743 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.867 1.340 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.919 4.227 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.736 3.132 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.943 4.725 -3.189 1.00 0.00 H new ATOM 397 N VAL A 46 -0.210 3.320 -0.276 1.00 0.00 N ATOM 398 CA VAL A 46 0.345 2.775 0.957 1.00 0.00 C ATOM 399 C VAL A 46 -0.411 1.525 1.394 1.00 0.00 C ATOM 400 O VAL A 46 -1.625 1.558 1.592 1.00 0.00 O ATOM 401 CB VAL A 46 0.304 3.811 2.097 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.134 4.149 2.459 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.063 3.297 3.311 1.00 0.00 C ATOM 0 H VAL A 46 -1.132 3.744 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 46 1.383 2.515 0.749 1.00 0.00 H new ATOM 0 HB VAL A 46 0.791 4.724 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.143 4.882 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.641 4.562 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.649 3.245 2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.024 4.041 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.608 2.370 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.102 3.111 3.039 1.00 0.00 H new ATOM 413 N VAL A 47 0.317 0.423 1.542 1.00 0.00 N ATOM 414 CA VAL A 47 -0.284 -0.840 1.959 1.00 0.00 C ATOM 415 C VAL A 47 -0.327 -0.954 3.478 1.00 0.00 C ATOM 416 O VAL A 47 0.710 -1.067 4.132 1.00 0.00 O ATOM 417 CB VAL A 47 0.487 -2.044 1.385 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.385 -3.290 1.395 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.982 -1.739 -0.020 1.00 0.00 C ATOM 0 H VAL A 47 1.323 0.378 1.380 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.302 -0.850 1.569 1.00 0.00 H new ATOM 0 HB VAL A 47 1.355 -2.233 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.176 -4.130 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.684 -3.517 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.273 -3.117 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.524 -2.600 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.131 -1.523 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.646 -0.875 0.008 1.00 0.00 H new ATOM 429 N ALA A 48 -1.534 -0.924 4.034 1.00 0.00 N ATOM 430 CA ALA A 48 -1.712 -1.027 5.477 1.00 0.00 C ATOM 431 C ALA A 48 -1.828 -2.484 5.914 1.00 0.00 C ATOM 432 O ALA A 48 -2.142 -3.359 5.109 1.00 0.00 O ATOM 433 CB ALA A 48 -2.941 -0.244 5.914 1.00 0.00 C ATOM 0 H ALA A 48 -2.402 -0.829 3.507 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.832 -0.600 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.062 -0.330 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.819 0.805 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.824 -0.646 5.417 1.00 0.00 H new ATOM 439 N ASN A 49 -1.570 -2.735 7.193 1.00 0.00 N ATOM 440 CA ASN A 49 -1.643 -4.087 7.735 1.00 0.00 C ATOM 441 C ASN A 49 -0.770 -5.045 6.931 1.00 0.00 C ATOM 442 O ASN A 49 -1.021 -6.249 6.895 1.00 0.00 O ATOM 443 CB ASN A 49 -3.092 -4.579 7.739 1.00 0.00 C ATOM 444 CG ASN A 49 -3.921 -3.931 8.831 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.381 -3.354 9.775 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.239 -4.025 8.708 1.00 0.00 N ATOM 0 H ASN A 49 -1.309 -2.021 7.873 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.272 -4.061 8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.546 -4.371 6.770 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.105 -5.661 7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.848 -3.609 9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.643 -4.513 7.909 1.00 0.00 H new ATOM 453 N GLY A 50 0.257 -4.501 6.285 1.00 0.00 N ATOM 454 CA GLY A 50 1.151 -5.321 5.490 1.00 0.00 C ATOM 455 C GLY A 50 2.606 -5.129 5.870 1.00 0.00 C ATOM 456 O GLY A 50 2.970 -5.254 7.038 1.00 0.00 O ATOM 0 H GLY A 50 0.485 -3.507 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.882 -6.370 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.019 -5.079 4.435 1.00 0.00 H new ATOM 460 N GLY A 51 3.440 -4.827 4.881 1.00 0.00 N ATOM 461 CA GLY A 51 4.854 -4.624 5.138 1.00 0.00 C ATOM 462 C GLY A 51 5.535 -5.877 5.654 1.00 0.00 C ATOM 463 O GLY A 51 4.880 -6.771 6.192 1.00 0.00 O ATOM 0 H GLY A 51 3.162 -4.719 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.344 -4.299 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.976 -3.822 5.866 1.00 0.00 H new ATOM 467 N LEU A 52 6.850 -5.944 5.489 1.00 0.00 N ATOM 468 CA LEU A 52 7.620 -7.098 5.941 1.00 0.00 C ATOM 469 C LEU A 52 7.204 -7.512 7.349 1.00 0.00 C ATOM 470 O LEU A 52 6.870 -8.671 7.592 1.00 0.00 O ATOM 471 CB LEU A 52 9.117 -6.781 5.913 1.00 0.00 C ATOM 472 CG LEU A 52 9.685 -6.348 4.560 1.00 0.00 C ATOM 473 CD1 LEU A 52 11.035 -5.670 4.741 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.807 -7.543 3.626 1.00 0.00 C ATOM 0 H LEU A 52 7.407 -5.213 5.046 1.00 0.00 H new ATOM 0 HA LEU A 52 7.417 -7.927 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.315 -5.991 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.662 -7.664 6.248 1.00 0.00 H new ATOM 0 HG LEU A 52 8.998 -5.630 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.424 -5.369 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.918 -4.790 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.731 -6.365 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.213 -7.216 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.473 -8.284 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.823 -7.986 3.471 1.00 0.00 H new ATOM 486 N GLY A 53 7.224 -6.557 8.273 1.00 0.00 N ATOM 487 CA GLY A 53 6.846 -6.842 9.644 1.00 0.00 C ATOM 488 C GLY A 53 5.662 -7.785 9.733 1.00 0.00 C ATOM 489 O GLY A 53 5.565 -8.584 10.664 1.00 0.00 O ATOM 0 H GLY A 53 7.496 -5.590 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.695 -7.279 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.603 -5.909 10.152 1.00 0.00 H new ATOM 493 N ASN A 54 4.758 -7.692 8.764 1.00 0.00 N ATOM 494 CA ASN A 54 3.572 -8.541 8.739 1.00 0.00 C ATOM 495 C ASN A 54 3.839 -9.823 7.956 1.00 0.00 C ATOM 496 O ASN A 54 2.955 -10.343 7.276 1.00 0.00 O ATOM 497 CB ASN A 54 2.393 -7.789 8.121 1.00 0.00 C ATOM 498 CG ASN A 54 1.968 -6.595 8.955 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.795 -5.941 9.590 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.672 -6.306 8.957 1.00 0.00 N ATOM 0 H ASN A 54 4.824 -7.037 7.985 1.00 0.00 H new ATOM 0 HA ASN A 54 3.324 -8.808 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.665 -7.452 7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.549 -8.470 8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.327 -5.514 9.500 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.022 -6.876 8.416 1.00 0.00 H new ATOM 507 N GLY A 55 5.065 -10.328 8.056 1.00 0.00 N ATOM 508 CA GLY A 55 5.426 -11.545 7.353 1.00 0.00 C ATOM 509 C GLY A 55 5.044 -11.502 5.887 1.00 0.00 C ATOM 510 O GLY A 55 4.908 -12.541 5.243 1.00 0.00 O ATOM 0 H GLY A 55 5.815 -9.916 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.500 -11.707 7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.936 -12.395 7.828 1.00 0.00 H new ATOM 514 N VAL A 56 4.870 -10.295 5.358 1.00 0.00 N ATOM 515 CA VAL A 56 4.500 -10.121 3.958 1.00 0.00 C ATOM 516 C VAL A 56 5.728 -9.855 3.095 1.00 0.00 C ATOM 517 O VAL A 56 6.292 -8.761 3.118 1.00 0.00 O ATOM 518 CB VAL A 56 3.502 -8.961 3.781 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.458 -8.510 2.329 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.119 -9.372 4.263 1.00 0.00 C ATOM 0 H VAL A 56 4.979 -9.424 5.877 1.00 0.00 H new ATOM 0 HA VAL A 56 4.027 -11.049 3.638 1.00 0.00 H new ATOM 0 HB VAL A 56 3.838 -8.119 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.748 -7.690 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.448 -8.173 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.147 -9.343 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.426 -8.541 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.772 -10.229 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.166 -9.641 5.318 1.00 0.00 H new ATOM 530 N SER A 57 6.138 -10.864 2.332 1.00 0.00 N ATOM 531 CA SER A 57 7.303 -10.740 1.463 1.00 0.00 C ATOM 532 C SER A 57 6.946 -9.999 0.178 1.00 0.00 C ATOM 533 O SER A 57 5.791 -9.992 -0.247 1.00 0.00 O ATOM 534 CB SER A 57 7.863 -12.124 1.125 1.00 0.00 C ATOM 535 OG SER A 57 9.180 -12.030 0.612 1.00 0.00 O ATOM 0 H SER A 57 5.681 -11.775 2.298 1.00 0.00 H new ATOM 0 HA SER A 57 8.062 -10.167 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.861 -12.749 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.219 -12.612 0.394 1.00 0.00 H new ATOM 0 HG SER A 57 9.516 -12.927 0.406 1.00 0.00 H new ATOM 541 N ARG A 58 7.946 -9.373 -0.433 1.00 0.00 N ATOM 542 CA ARG A 58 7.739 -8.626 -1.668 1.00 0.00 C ATOM 543 C ARG A 58 7.161 -9.525 -2.758 1.00 0.00 C ATOM 544 O ARG A 58 6.250 -9.130 -3.484 1.00 0.00 O ATOM 545 CB ARG A 58 9.056 -8.012 -2.145 1.00 0.00 C ATOM 546 CG ARG A 58 8.998 -7.473 -3.565 1.00 0.00 C ATOM 547 CD ARG A 58 9.989 -6.338 -3.771 1.00 0.00 C ATOM 548 NE ARG A 58 11.294 -6.824 -4.213 1.00 0.00 N ATOM 549 CZ ARG A 58 11.490 -7.460 -5.362 1.00 0.00 C ATOM 550 NH1 ARG A 58 10.473 -7.684 -6.182 1.00 0.00 N ATOM 551 NH2 ARG A 58 12.707 -7.871 -5.695 1.00 0.00 N ATOM 0 H ARG A 58 8.908 -9.368 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 58 7.026 -7.827 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.336 -7.203 -1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.842 -8.765 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.212 -8.277 -4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.989 -7.120 -3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.593 -5.640 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.105 -5.784 -2.839 1.00 0.00 H new ATOM 0 HE ARG A 58 12.098 -6.666 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.536 -7.368 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.627 -8.173 -7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.493 -7.698 -5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.857 -8.359 -6.578 1.00 0.00 H new ATOM 565 N ASN A 59 7.698 -10.736 -2.865 1.00 0.00 N ATOM 566 CA ASN A 59 7.237 -11.691 -3.866 1.00 0.00 C ATOM 567 C ASN A 59 5.869 -12.255 -3.490 1.00 0.00 C ATOM 568 O ASN A 59 5.283 -13.035 -4.239 1.00 0.00 O ATOM 569 CB ASN A 59 8.246 -12.830 -4.018 1.00 0.00 C ATOM 570 CG ASN A 59 7.665 -14.025 -4.748 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.138 -14.949 -4.128 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.758 -14.012 -6.073 1.00 0.00 N ATOM 0 H ASN A 59 8.453 -11.079 -2.271 1.00 0.00 H new ATOM 0 HA ASN A 59 7.146 -11.167 -4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.120 -12.467 -4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.589 -13.142 -3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.384 -14.789 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.203 -13.225 -6.545 1.00 0.00 H new ATOM 579 N GLN A 60 5.370 -11.854 -2.326 1.00 0.00 N ATOM 580 CA GLN A 60 4.072 -12.320 -1.851 1.00 0.00 C ATOM 581 C GLN A 60 3.033 -11.205 -1.925 1.00 0.00 C ATOM 582 O GLN A 60 1.831 -11.466 -1.965 1.00 0.00 O ATOM 583 CB GLN A 60 4.185 -12.833 -0.415 1.00 0.00 C ATOM 584 CG GLN A 60 2.845 -13.173 0.217 1.00 0.00 C ATOM 585 CD GLN A 60 2.085 -14.231 -0.560 1.00 0.00 C ATOM 586 OE1 GLN A 60 1.153 -13.923 -1.302 1.00 0.00 O ATOM 587 NE2 GLN A 60 2.482 -15.488 -0.392 1.00 0.00 N ATOM 0 H GLN A 60 5.844 -11.208 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 60 3.749 -13.137 -2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.818 -13.720 -0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.683 -12.078 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.007 -13.523 1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.239 -12.270 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.260 -15.698 0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.009 -16.243 -0.889 1.00 0.00 H new ATOM 596 N LEU A 61 3.505 -9.964 -1.943 1.00 0.00 N ATOM 597 CA LEU A 61 2.617 -8.808 -2.012 1.00 0.00 C ATOM 598 C LEU A 61 2.585 -8.230 -3.423 1.00 0.00 C ATOM 599 O LEU A 61 1.531 -7.824 -3.916 1.00 0.00 O ATOM 600 CB LEU A 61 3.066 -7.736 -1.018 1.00 0.00 C ATOM 601 CG LEU A 61 2.057 -6.624 -0.730 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.790 -7.200 -0.116 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.667 -5.574 0.188 1.00 0.00 C ATOM 0 H LEU A 61 4.498 -9.732 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 61 1.611 -9.137 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.317 -8.224 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.982 -7.280 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 61 1.795 -6.144 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.083 -6.394 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.342 -7.913 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.036 -7.705 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.934 -4.791 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.959 -6.039 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.545 -5.139 -0.289 1.00 0.00 H new ATOM 615 N LEU A 62 3.744 -8.197 -4.070 1.00 0.00 N ATOM 616 CA LEU A 62 3.849 -7.670 -5.426 1.00 0.00 C ATOM 617 C LEU A 62 2.901 -8.402 -6.369 1.00 0.00 C ATOM 618 O LEU A 62 2.227 -7.798 -7.205 1.00 0.00 O ATOM 619 CB LEU A 62 5.288 -7.794 -5.933 1.00 0.00 C ATOM 620 CG LEU A 62 5.470 -7.763 -7.451 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.280 -6.351 -7.983 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.841 -8.300 -7.835 1.00 0.00 C ATOM 0 H LEU A 62 4.625 -8.529 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 62 3.568 -6.617 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.876 -6.984 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.706 -8.728 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 62 4.712 -8.404 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.413 -6.349 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.276 -6.003 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.014 -5.688 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.953 -8.270 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.615 -7.686 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.939 -9.329 -7.488 1.00 0.00 H new ATOM 634 N PRO A 63 2.843 -9.735 -6.234 1.00 0.00 N ATOM 635 CA PRO A 63 1.978 -10.579 -7.064 1.00 0.00 C ATOM 636 C PRO A 63 0.553 -10.041 -7.149 1.00 0.00 C ATOM 637 O PRO A 63 -0.093 -10.130 -8.193 1.00 0.00 O ATOM 638 CB PRO A 63 1.999 -11.928 -6.340 1.00 0.00 C ATOM 639 CG PRO A 63 3.293 -11.943 -5.604 1.00 0.00 C ATOM 640 CD PRO A 63 3.618 -10.522 -5.260 1.00 0.00 C ATOM 0 HA PRO A 63 2.325 -10.629 -8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.154 -12.024 -5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.935 -12.757 -7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.217 -12.550 -4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.080 -12.381 -6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.332 -10.284 -4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.686 -10.324 -5.347 1.00 0.00 H new ATOM 648 N VAL A 64 0.069 -9.484 -6.043 1.00 0.00 N ATOM 649 CA VAL A 64 -1.279 -8.930 -5.993 1.00 0.00 C ATOM 650 C VAL A 64 -1.320 -7.529 -6.593 1.00 0.00 C ATOM 651 O VAL A 64 -2.349 -7.094 -7.112 1.00 0.00 O ATOM 652 CB VAL A 64 -1.809 -8.874 -4.548 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.264 -8.431 -4.531 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.646 -10.226 -3.869 1.00 0.00 C ATOM 0 H VAL A 64 0.590 -9.405 -5.170 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.916 -9.592 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.224 -8.141 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.622 -8.397 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.348 -7.440 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.866 -9.138 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.025 -10.169 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.205 -10.981 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.591 -10.498 -3.849 1.00 0.00 H new ATOM 664 N LEU A 65 -0.195 -6.827 -6.519 1.00 0.00 N ATOM 665 CA LEU A 65 -0.102 -5.474 -7.056 1.00 0.00 C ATOM 666 C LEU A 65 0.141 -5.500 -8.561 1.00 0.00 C ATOM 667 O LEU A 65 -0.123 -4.521 -9.260 1.00 0.00 O ATOM 668 CB LEU A 65 1.023 -4.705 -6.360 1.00 0.00 C ATOM 669 CG LEU A 65 1.034 -4.767 -4.833 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.410 -4.407 -4.293 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.026 -3.842 -4.254 1.00 0.00 C ATOM 0 H LEU A 65 0.665 -7.172 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.050 -4.970 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.977 -5.086 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.961 -3.659 -6.661 1.00 0.00 H new ATOM 0 HG LEU A 65 0.803 -5.788 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.398 -4.457 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.148 -5.109 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.671 -3.396 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.004 -3.899 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.174 -2.818 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.009 -4.146 -4.613 1.00 0.00 H new ATOM 683 N GLU A 66 0.642 -6.628 -9.056 1.00 0.00 N ATOM 684 CA GLU A 66 0.918 -6.781 -10.479 1.00 0.00 C ATOM 685 C GLU A 66 -0.320 -7.274 -11.223 1.00 0.00 C ATOM 686 O GLU A 66 -0.669 -6.756 -12.285 1.00 0.00 O ATOM 687 CB GLU A 66 2.077 -7.756 -10.694 1.00 0.00 C ATOM 688 CG GLU A 66 3.418 -7.221 -10.219 1.00 0.00 C ATOM 689 CD GLU A 66 4.141 -6.427 -11.289 1.00 0.00 C ATOM 690 OE1 GLU A 66 3.485 -5.604 -11.962 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.362 -6.625 -11.454 1.00 0.00 O ATOM 0 H GLU A 66 0.865 -7.448 -8.492 1.00 0.00 H new ATOM 0 HA GLU A 66 1.195 -5.805 -10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.860 -8.687 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.146 -7.997 -11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.264 -6.589 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.046 -8.054 -9.903 1.00 0.00 H new ATOM 698 N LYS A 67 -0.981 -8.279 -10.659 1.00 0.00 N ATOM 699 CA LYS A 67 -2.181 -8.844 -11.266 1.00 0.00 C ATOM 700 C LYS A 67 -3.194 -7.749 -11.588 1.00 0.00 C ATOM 701 O LYS A 67 -3.861 -7.793 -12.622 1.00 0.00 O ATOM 702 CB LYS A 67 -2.811 -9.878 -10.331 1.00 0.00 C ATOM 703 CG LYS A 67 -3.278 -9.298 -9.008 1.00 0.00 C ATOM 704 CD LYS A 67 -3.942 -10.354 -8.140 1.00 0.00 C ATOM 705 CE LYS A 67 -4.939 -9.734 -7.173 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.265 -9.510 -7.812 1.00 0.00 N ATOM 0 H LYS A 67 -0.706 -8.720 -9.781 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.893 -9.333 -12.197 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.660 -10.341 -10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.086 -10.668 -10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.428 -8.871 -8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.979 -8.484 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.451 -11.080 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.181 -10.898 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.058 -10.385 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.548 -8.785 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.916 -9.086 -7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.156 -8.868 -8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.651 -10.419 -8.139 1.00 0.00 H new ATOM 720 N CYS A 68 -3.303 -6.770 -10.697 1.00 0.00 N ATOM 721 CA CYS A 68 -4.235 -5.664 -10.887 1.00 0.00 C ATOM 722 C CYS A 68 -3.724 -4.700 -11.953 1.00 0.00 C ATOM 723 O CYS A 68 -4.411 -4.424 -12.935 1.00 0.00 O ATOM 724 CB CYS A 68 -4.450 -4.919 -9.569 1.00 0.00 C ATOM 725 SG CYS A 68 -5.817 -5.558 -8.574 1.00 0.00 S ATOM 0 H CYS A 68 -2.758 -6.719 -9.836 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.187 -6.076 -11.222 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.533 -4.969 -8.982 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.633 -3.866 -9.785 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.055 -4.743 -7.589 1.00 0.00 H new ATOM 731 N GLY A 69 -2.513 -4.189 -11.749 1.00 0.00 N ATOM 732 CA GLY A 69 -1.931 -3.260 -12.700 1.00 0.00 C ATOM 733 C GLY A 69 -0.422 -3.376 -12.777 1.00 0.00 C ATOM 734 O GLY A 69 0.162 -4.327 -12.253 1.00 0.00 O ATOM 0 H GLY A 69 -1.925 -4.402 -10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.357 -3.441 -13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.200 -2.242 -12.419 1.00 0.00 H new ATOM 738 N LEU A 70 0.213 -2.410 -13.430 1.00 0.00 N ATOM 739 CA LEU A 70 1.664 -2.408 -13.574 1.00 0.00 C ATOM 740 C LEU A 70 2.333 -1.809 -12.341 1.00 0.00 C ATOM 741 O LEU A 70 1.909 -0.771 -11.834 1.00 0.00 O ATOM 742 CB LEU A 70 2.071 -1.623 -14.822 1.00 0.00 C ATOM 743 CG LEU A 70 1.639 -2.220 -16.162 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.771 -1.190 -17.272 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.460 -3.460 -16.483 1.00 0.00 C ATOM 0 H LEU A 70 -0.255 -1.617 -13.869 1.00 0.00 H new ATOM 0 HA LEU A 70 1.996 -3.441 -13.678 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.657 -0.617 -14.745 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.156 -1.522 -14.825 1.00 0.00 H new ATOM 0 HG LEU A 70 0.591 -2.512 -16.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.459 -1.633 -18.218 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.139 -0.331 -17.048 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.809 -0.867 -17.347 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.139 -3.871 -17.440 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.515 -3.193 -16.539 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.315 -4.205 -15.701 1.00 0.00 H new ATOM 757 N VAL A 71 3.384 -2.470 -11.864 1.00 0.00 N ATOM 758 CA VAL A 71 4.115 -2.001 -10.693 1.00 0.00 C ATOM 759 C VAL A 71 5.463 -1.409 -11.087 1.00 0.00 C ATOM 760 O VAL A 71 6.372 -2.130 -11.501 1.00 0.00 O ATOM 761 CB VAL A 71 4.342 -3.140 -9.681 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.044 -2.617 -8.438 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.022 -3.802 -9.319 1.00 0.00 C ATOM 0 H VAL A 71 3.748 -3.332 -12.271 1.00 0.00 H new ATOM 0 HA VAL A 71 3.505 -1.227 -10.227 1.00 0.00 H new ATOM 0 HB VAL A 71 4.983 -3.891 -10.143 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.196 -3.436 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.009 -2.194 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.431 -1.846 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.202 -4.604 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.354 -3.063 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.563 -4.214 -10.218 1.00 0.00 H new ATOM 773 N ASP A 72 5.586 -0.093 -10.956 1.00 0.00 N ATOM 774 CA ASP A 72 6.824 0.598 -11.297 1.00 0.00 C ATOM 775 C ASP A 72 7.877 0.390 -10.213 1.00 0.00 C ATOM 776 O ASP A 72 9.004 -0.013 -10.498 1.00 0.00 O ATOM 777 CB ASP A 72 6.563 2.092 -11.494 1.00 0.00 C ATOM 778 CG ASP A 72 7.578 2.741 -12.413 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.791 2.591 -12.157 1.00 0.00 O ATOM 780 OD2 ASP A 72 7.161 3.400 -13.388 1.00 0.00 O ATOM 0 H ASP A 72 4.843 0.517 -10.616 1.00 0.00 H new ATOM 0 HA ASP A 72 7.201 0.179 -12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.563 2.232 -11.905 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.582 2.592 -10.526 1.00 0.00 H new ATOM 785 N ALA A 73 7.502 0.672 -8.970 1.00 0.00 N ATOM 786 CA ALA A 73 8.414 0.515 -7.843 1.00 0.00 C ATOM 787 C ALA A 73 7.650 0.241 -6.553 1.00 0.00 C ATOM 788 O ALA A 73 6.789 1.024 -6.149 1.00 0.00 O ATOM 789 CB ALA A 73 9.282 1.756 -7.691 1.00 0.00 C ATOM 0 H ALA A 73 6.573 1.010 -8.718 1.00 0.00 H new ATOM 0 HA ALA A 73 9.056 -0.343 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.958 1.626 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.863 1.907 -8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.647 2.625 -7.517 1.00 0.00 H new ATOM 795 N LEU A 74 7.968 -0.876 -5.908 1.00 0.00 N ATOM 796 CA LEU A 74 7.311 -1.256 -4.662 1.00 0.00 C ATOM 797 C LEU A 74 8.244 -1.057 -3.471 1.00 0.00 C ATOM 798 O LEU A 74 9.103 -1.894 -3.196 1.00 0.00 O ATOM 799 CB LEU A 74 6.853 -2.714 -4.727 1.00 0.00 C ATOM 800 CG LEU A 74 6.528 -3.376 -3.388 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.308 -2.726 -2.754 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.303 -4.869 -3.572 1.00 0.00 C ATOM 0 H LEU A 74 8.678 -1.535 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 74 6.440 -0.614 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.968 -2.768 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.632 -3.297 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 74 7.378 -3.236 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.091 -3.210 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.506 -1.667 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.451 -2.834 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.073 -5.324 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.471 -5.030 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.204 -5.325 -3.982 1.00 0.00 H new ATOM 814 N LEU A 75 8.067 0.056 -2.769 1.00 0.00 N ATOM 815 CA LEU A 75 8.892 0.366 -1.605 1.00 0.00 C ATOM 816 C LEU A 75 8.409 -0.400 -0.377 1.00 0.00 C ATOM 817 O LEU A 75 7.244 -0.299 0.010 1.00 0.00 O ATOM 818 CB LEU A 75 8.870 1.869 -1.324 1.00 0.00 C ATOM 819 CG LEU A 75 9.686 2.339 -0.120 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.170 2.344 -0.451 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.231 3.721 0.326 1.00 0.00 C ATOM 0 H LEU A 75 7.360 0.759 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 75 9.915 0.059 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.234 2.389 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.834 2.176 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 75 9.521 1.642 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.735 2.681 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.486 1.336 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.354 3.018 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.823 4.040 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.366 4.430 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.178 3.685 0.605 1.00 0.00 H new ATOM 833 N MET A 76 9.310 -1.161 0.232 1.00 0.00 N ATOM 834 CA MET A 76 8.977 -1.941 1.419 1.00 0.00 C ATOM 835 C MET A 76 9.984 -1.688 2.537 1.00 0.00 C ATOM 836 O MET A 76 11.059 -2.286 2.583 1.00 0.00 O ATOM 837 CB MET A 76 8.936 -3.432 1.081 1.00 0.00 C ATOM 838 CG MET A 76 7.794 -3.814 0.155 1.00 0.00 C ATOM 839 SD MET A 76 7.552 -5.598 0.047 1.00 0.00 S ATOM 840 CE MET A 76 6.761 -5.927 1.621 1.00 0.00 C ATOM 0 H MET A 76 10.278 -1.255 -0.076 1.00 0.00 H new ATOM 0 HA MET A 76 7.992 -1.627 1.764 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.880 -3.717 0.617 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.850 -4.003 2.005 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.874 -3.347 0.508 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.991 -3.417 -0.841 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.362 -6.637 2.189 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.670 -4.998 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.770 -6.346 1.449 1.00 0.00 H new ATOM 850 N PRO A 77 9.631 -0.780 3.459 1.00 0.00 N ATOM 851 CA PRO A 77 10.491 -0.428 4.593 1.00 0.00 C ATOM 852 C PRO A 77 10.604 -1.560 5.608 1.00 0.00 C ATOM 853 O PRO A 77 9.633 -2.254 5.911 1.00 0.00 O ATOM 854 CB PRO A 77 9.783 0.779 5.213 1.00 0.00 C ATOM 855 CG PRO A 77 8.354 0.622 4.822 1.00 0.00 C ATOM 856 CD PRO A 77 8.366 -0.029 3.466 1.00 0.00 C ATOM 0 HA PRO A 77 11.515 -0.224 4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.898 0.792 6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.195 1.716 4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.817 0.008 5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.850 1.588 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.508 -0.687 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.333 0.710 2.665 1.00 0.00 H new ATOM 864 N PRO A 78 11.817 -1.753 6.148 1.00 0.00 N ATOM 865 CA PRO A 78 12.085 -2.800 7.139 1.00 0.00 C ATOM 866 C PRO A 78 11.425 -2.509 8.482 1.00 0.00 C ATOM 867 O PRO A 78 11.284 -1.353 8.878 1.00 0.00 O ATOM 868 CB PRO A 78 13.609 -2.777 7.276 1.00 0.00 C ATOM 869 CG PRO A 78 14.003 -1.394 6.886 1.00 0.00 C ATOM 870 CD PRO A 78 13.019 -0.963 5.833 1.00 0.00 C ATOM 0 HA PRO A 78 11.686 -3.766 6.830 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.918 -3.004 8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.076 -3.519 6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.974 -0.723 7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.022 -1.373 6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.821 0.108 5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.387 -1.173 4.829 1.00 0.00 H new ATOM 878 N ASN A 79 11.021 -3.566 9.179 1.00 0.00 N ATOM 879 CA ASN A 79 10.374 -3.424 10.479 1.00 0.00 C ATOM 880 C ASN A 79 9.205 -2.447 10.401 1.00 0.00 C ATOM 881 O ASN A 79 8.968 -1.670 11.327 1.00 0.00 O ATOM 882 CB ASN A 79 11.385 -2.945 11.523 1.00 0.00 C ATOM 883 CG ASN A 79 11.029 -3.405 12.925 1.00 0.00 C ATOM 884 OD1 ASN A 79 11.200 -4.575 13.269 1.00 0.00 O ATOM 885 ND2 ASN A 79 10.530 -2.483 13.740 1.00 0.00 N ATOM 0 H ASN A 79 11.130 -4.531 8.866 1.00 0.00 H new ATOM 0 HA ASN A 79 9.989 -4.400 10.775 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.376 -3.316 11.262 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.437 -1.856 11.503 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.271 -2.732 14.695 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.406 -1.525 13.412 1.00 0.00 H new ATOM 892 N LYS A 80 8.477 -2.490 9.290 1.00 0.00 N ATOM 893 CA LYS A 80 7.331 -1.611 9.091 1.00 0.00 C ATOM 894 C LYS A 80 6.134 -2.392 8.558 1.00 0.00 C ATOM 895 O LYS A 80 6.190 -3.017 7.499 1.00 0.00 O ATOM 896 CB LYS A 80 7.690 -0.484 8.121 1.00 0.00 C ATOM 897 CG LYS A 80 8.560 0.598 8.740 1.00 0.00 C ATOM 898 CD LYS A 80 7.943 1.146 10.017 1.00 0.00 C ATOM 899 CE LYS A 80 8.498 2.519 10.357 1.00 0.00 C ATOM 900 NZ LYS A 80 9.787 2.430 11.096 1.00 0.00 N ATOM 0 H LYS A 80 8.661 -3.125 8.513 1.00 0.00 H new ATOM 0 HA LYS A 80 7.062 -1.180 10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.209 -0.908 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.772 -0.031 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.548 0.192 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.699 1.409 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.861 1.208 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.138 0.459 10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.644 3.089 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.772 3.065 10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.132 3.388 11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.643 1.909 11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.488 1.931 10.512 1.00 0.00 H new ATOM 914 N PRO A 81 5.022 -2.355 9.307 1.00 0.00 N ATOM 915 CA PRO A 81 3.788 -3.051 8.929 1.00 0.00 C ATOM 916 C PRO A 81 3.112 -2.416 7.720 1.00 0.00 C ATOM 917 O PRO A 81 2.107 -2.923 7.221 1.00 0.00 O ATOM 918 CB PRO A 81 2.905 -2.908 10.172 1.00 0.00 C ATOM 919 CG PRO A 81 3.404 -1.681 10.853 1.00 0.00 C ATOM 920 CD PRO A 81 4.882 -1.629 10.581 1.00 0.00 C ATOM 0 HA PRO A 81 3.976 -4.085 8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.854 -2.811 9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.988 -3.781 10.819 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.905 -0.791 10.469 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.205 -1.721 11.924 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.239 -0.602 10.500 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.454 -2.103 11.378 1.00 0.00 H new ATOM 928 N TYR A 82 3.669 -1.306 7.251 1.00 0.00 N ATOM 929 CA TYR A 82 3.117 -0.600 6.101 1.00 0.00 C ATOM 930 C TYR A 82 4.162 -0.457 4.998 1.00 0.00 C ATOM 931 O TYR A 82 5.364 -0.461 5.261 1.00 0.00 O ATOM 932 CB TYR A 82 2.609 0.781 6.518 1.00 0.00 C ATOM 933 CG TYR A 82 3.682 1.670 7.102 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.591 2.326 6.281 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.788 1.855 8.475 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.574 3.140 6.810 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.766 2.669 9.013 1.00 0.00 C ATOM 938 CZ TYR A 82 5.658 3.308 8.177 1.00 0.00 C ATOM 939 OH TYR A 82 6.635 4.118 8.709 1.00 0.00 O ATOM 0 H TYR A 82 4.503 -0.875 7.650 1.00 0.00 H new ATOM 0 HA TYR A 82 2.282 -1.185 5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.172 1.275 5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.811 0.659 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.528 2.197 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.094 1.354 9.133 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.273 3.642 6.157 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.832 2.804 10.082 1.00 0.00 H new ATOM 0 HH TYR A 82 6.418 4.323 9.642 1.00 0.00 H new ATOM 949 N SER A 83 3.693 -0.331 3.760 1.00 0.00 N ATOM 950 CA SER A 83 4.585 -0.191 2.615 1.00 0.00 C ATOM 951 C SER A 83 4.066 0.870 1.649 1.00 0.00 C ATOM 952 O SER A 83 3.027 1.486 1.886 1.00 0.00 O ATOM 953 CB SER A 83 4.733 -1.529 1.889 1.00 0.00 C ATOM 954 OG SER A 83 5.438 -2.467 2.687 1.00 0.00 O ATOM 0 H SER A 83 2.701 -0.323 3.525 1.00 0.00 H new ATOM 0 HA SER A 83 5.561 0.124 2.983 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.747 -1.924 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.260 -1.379 0.947 1.00 0.00 H new ATOM 0 HG SER A 83 5.766 -2.025 3.498 1.00 0.00 H new ATOM 960 N PHE A 84 4.796 1.076 0.558 1.00 0.00 N ATOM 961 CA PHE A 84 4.411 2.061 -0.445 1.00 0.00 C ATOM 962 C PHE A 84 4.702 1.549 -1.852 1.00 0.00 C ATOM 963 O PHE A 84 5.852 1.277 -2.199 1.00 0.00 O ATOM 964 CB PHE A 84 5.153 3.379 -0.206 1.00 0.00 C ATOM 965 CG PHE A 84 4.986 3.917 1.186 1.00 0.00 C ATOM 966 CD1 PHE A 84 3.802 4.525 1.571 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.014 3.815 2.110 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.646 5.021 2.852 1.00 0.00 C ATOM 969 CE2 PHE A 84 5.864 4.308 3.392 1.00 0.00 C ATOM 970 CZ PHE A 84 4.678 4.914 3.763 1.00 0.00 C ATOM 0 H PHE A 84 5.658 0.573 0.346 1.00 0.00 H new ATOM 0 HA PHE A 84 3.338 2.233 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.214 3.230 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.796 4.122 -0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.992 4.612 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.943 3.345 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.718 5.492 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.672 4.220 4.103 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.559 5.303 4.763 1.00 0.00 H new ATOM 980 N ALA A 85 3.653 1.419 -2.657 1.00 0.00 N ATOM 981 CA ALA A 85 3.796 0.940 -4.027 1.00 0.00 C ATOM 982 C ALA A 85 3.604 2.074 -5.028 1.00 0.00 C ATOM 983 O ALA A 85 2.884 3.036 -4.759 1.00 0.00 O ATOM 984 CB ALA A 85 2.803 -0.181 -4.299 1.00 0.00 C ATOM 0 H ALA A 85 2.695 1.639 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 85 4.808 0.552 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.920 -0.530 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.989 -1.006 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.788 0.189 -4.155 1.00 0.00 H new ATOM 990 N ARG A 86 4.254 1.955 -6.180 1.00 0.00 N ATOM 991 CA ARG A 86 4.157 2.972 -7.220 1.00 0.00 C ATOM 992 C ARG A 86 3.769 2.348 -8.558 1.00 0.00 C ATOM 993 O ARG A 86 4.525 1.563 -9.130 1.00 0.00 O ATOM 994 CB ARG A 86 5.486 3.717 -7.361 1.00 0.00 C ATOM 995 CG ARG A 86 5.331 5.159 -7.818 1.00 0.00 C ATOM 996 CD ARG A 86 6.452 6.036 -7.286 1.00 0.00 C ATOM 997 NE ARG A 86 6.751 7.148 -8.185 1.00 0.00 N ATOM 998 CZ ARG A 86 7.912 7.793 -8.196 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.878 7.438 -7.361 1.00 0.00 N ATOM 1000 NH2 ARG A 86 8.108 8.795 -9.043 1.00 0.00 N ATOM 0 H ARG A 86 4.854 1.165 -6.417 1.00 0.00 H new ATOM 0 HA ARG A 86 3.380 3.679 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.004 3.702 -6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.117 3.185 -8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.323 5.198 -8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.371 5.548 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.173 6.426 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.349 5.432 -7.145 1.00 0.00 H new ATOM 0 HE ARG A 86 6.028 7.445 -8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.731 6.668 -6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.769 7.935 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.367 9.071 -9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.000 9.289 -9.050 1.00 0.00 H new ATOM 1014 N TYR A 87 2.586 2.700 -9.049 1.00 0.00 N ATOM 1015 CA TYR A 87 2.096 2.172 -10.316 1.00 0.00 C ATOM 1016 C TYR A 87 2.566 3.035 -11.483 1.00 0.00 C ATOM 1017 O TYR A 87 3.234 4.051 -11.290 1.00 0.00 O ATOM 1018 CB TYR A 87 0.568 2.099 -10.305 1.00 0.00 C ATOM 1019 CG TYR A 87 0.024 0.939 -9.503 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.162 1.044 -8.130 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.304 -0.263 -10.118 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.659 -0.013 -7.393 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -0.803 -1.325 -9.389 1.00 0.00 C ATOM 1024 CZ TYR A 87 -0.978 -1.196 -8.027 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.473 -2.252 -7.298 1.00 0.00 O ATOM 0 H TYR A 87 1.948 3.349 -8.588 1.00 0.00 H new ATOM 0 HA TYR A 87 2.500 1.168 -10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.171 3.029 -9.898 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.209 2.021 -11.331 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.086 1.969 -7.630 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.167 -0.369 -11.184 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.797 0.086 -6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.055 -2.252 -9.883 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.647 -3.009 -7.896 1.00 0.00 H new ATOM 1035 N ARG A 88 2.214 2.620 -12.696 1.00 0.00 N ATOM 1036 CA ARG A 88 2.600 3.353 -13.896 1.00 0.00 C ATOM 1037 C ARG A 88 1.558 4.412 -14.245 1.00 0.00 C ATOM 1038 O ARG A 88 1.896 5.561 -14.532 1.00 0.00 O ATOM 1039 CB ARG A 88 2.778 2.390 -15.071 1.00 0.00 C ATOM 1040 CG ARG A 88 3.101 3.085 -16.384 1.00 0.00 C ATOM 1041 CD ARG A 88 4.601 3.252 -16.572 1.00 0.00 C ATOM 1042 NE ARG A 88 4.923 3.938 -17.820 1.00 0.00 N ATOM 1043 CZ ARG A 88 4.969 3.332 -19.002 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.714 2.035 -19.095 1.00 0.00 N ATOM 1045 NH2 ARG A 88 5.271 4.025 -20.092 1.00 0.00 N ATOM 0 H ARG A 88 1.662 1.781 -12.873 1.00 0.00 H new ATOM 0 HA ARG A 88 3.548 3.853 -13.698 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.577 1.687 -14.836 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.865 1.807 -15.193 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.691 2.508 -17.213 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.619 4.062 -16.408 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.011 3.814 -15.733 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.079 2.272 -16.563 1.00 0.00 H new ATOM 0 HE ARG A 88 5.124 4.937 -17.783 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.482 1.500 -18.258 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.750 1.572 -20.003 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.468 5.023 -20.023 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.306 3.559 -20.999 1.00 0.00 H new ATOM 1059 N THR A 89 0.288 4.018 -14.218 1.00 0.00 N ATOM 1060 CA THR A 89 -0.803 4.931 -14.533 1.00 0.00 C ATOM 1061 C THR A 89 -1.830 4.969 -13.408 1.00 0.00 C ATOM 1062 O THR A 89 -2.341 3.931 -12.983 1.00 0.00 O ATOM 1063 CB THR A 89 -1.507 4.534 -15.843 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.096 3.236 -15.710 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.527 4.534 -17.007 1.00 0.00 C ATOM 0 H THR A 89 -0.010 3.072 -13.981 1.00 0.00 H new ATOM 0 HA THR A 89 -0.362 5.921 -14.652 1.00 0.00 H new ATOM 0 HB THR A 89 -2.287 5.268 -16.045 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.332 3.079 -14.772 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.048 4.250 -17.921 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.103 5.531 -17.125 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.273 3.821 -16.809 1.00 0.00 H new ATOM 1073 N THR A 90 -2.131 6.171 -12.928 1.00 0.00 N ATOM 1074 CA THR A 90 -3.099 6.344 -11.851 1.00 0.00 C ATOM 1075 C THR A 90 -4.211 5.306 -11.940 1.00 0.00 C ATOM 1076 O THR A 90 -4.505 4.614 -10.964 1.00 0.00 O ATOM 1077 CB THR A 90 -3.723 7.752 -11.878 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.788 8.693 -12.416 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.140 8.185 -10.480 1.00 0.00 C ATOM 0 H THR A 90 -1.719 7.040 -13.268 1.00 0.00 H new ATOM 0 HA THR A 90 -2.557 6.213 -10.914 1.00 0.00 H new ATOM 0 HB THR A 90 -4.610 7.721 -12.511 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.194 9.585 -12.431 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.578 9.182 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.875 7.483 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.266 8.201 -9.828 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.825 5.201 -13.113 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.906 4.246 -13.328 1.00 0.00 C ATOM 1089 C GLU A 91 -5.632 2.939 -12.587 1.00 0.00 C ATOM 1090 O GLU A 91 -6.458 2.472 -11.805 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.085 3.970 -14.821 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.174 5.230 -15.666 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.695 4.959 -17.065 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -6.092 4.125 -17.772 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.707 5.582 -17.452 1.00 0.00 O ATOM 0 H GLU A 91 -4.593 5.766 -13.930 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.824 4.682 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.249 3.365 -15.173 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.990 3.380 -14.967 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.828 5.949 -15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.188 5.689 -15.732 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.464 2.355 -12.843 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.082 1.102 -12.203 1.00 0.00 C ATOM 1104 C GLU A 92 -4.138 1.229 -10.683 1.00 0.00 C ATOM 1105 O GLU A 92 -4.812 0.449 -10.009 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.675 0.690 -12.639 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.548 0.447 -14.133 1.00 0.00 C ATOM 1108 CD GLU A 92 -2.931 -0.966 -14.530 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -3.992 -1.441 -14.076 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -2.169 -1.595 -15.293 1.00 0.00 O ATOM 0 H GLU A 92 -3.768 2.729 -13.488 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.791 0.334 -12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.970 1.468 -12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.390 -0.217 -12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.182 1.155 -14.667 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.521 0.642 -14.443 1.00 0.00 H new ATOM 1117 N SER A 93 -3.425 2.216 -10.150 1.00 0.00 N ATOM 1118 CA SER A 93 -3.389 2.443 -8.710 1.00 0.00 C ATOM 1119 C SER A 93 -4.797 2.415 -8.121 1.00 0.00 C ATOM 1120 O SER A 93 -5.069 1.689 -7.165 1.00 0.00 O ATOM 1121 CB SER A 93 -2.720 3.783 -8.400 1.00 0.00 C ATOM 1122 OG SER A 93 -3.140 4.283 -7.142 1.00 0.00 O ATOM 0 H SER A 93 -2.864 2.872 -10.694 1.00 0.00 H new ATOM 0 HA SER A 93 -2.807 1.642 -8.255 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.637 3.662 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.963 4.504 -9.181 1.00 0.00 H new ATOM 0 HG SER A 93 -2.678 5.126 -6.954 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.689 3.212 -8.699 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.069 3.281 -8.235 1.00 0.00 C ATOM 1130 C LYS A 94 -7.717 1.900 -8.252 1.00 0.00 C ATOM 1131 O LYS A 94 -8.306 1.468 -7.259 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.875 4.245 -9.107 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.488 5.702 -8.922 1.00 0.00 C ATOM 1134 CD LYS A 94 -8.039 6.572 -10.039 1.00 0.00 C ATOM 1135 CE LYS A 94 -7.062 6.674 -11.200 1.00 0.00 C ATOM 1136 NZ LYS A 94 -7.758 6.944 -12.489 1.00 0.00 N ATOM 0 H LYS A 94 -5.480 3.820 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.063 3.649 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.741 3.973 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.935 4.128 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.862 6.060 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.402 5.790 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.983 6.158 -10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.253 7.569 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.344 7.470 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.496 5.746 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.054 7.090 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.362 6.133 -12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.345 7.797 -12.394 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.605 1.212 -9.383 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.181 -0.120 -9.527 1.00 0.00 C ATOM 1152 C ARG A 95 -7.811 -1.004 -8.340 1.00 0.00 C ATOM 1153 O ARG A 95 -8.641 -1.755 -7.829 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.702 -0.767 -10.828 1.00 0.00 C ATOM 1155 CG ARG A 95 -7.962 -2.263 -10.896 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.099 -2.931 -11.954 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.751 -2.949 -13.261 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.723 -3.795 -13.586 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -9.153 -4.685 -12.704 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -9.266 -3.749 -14.796 1.00 0.00 N ATOM 0 H ARG A 95 -7.121 1.554 -10.213 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.266 -0.018 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.198 -0.282 -11.669 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.633 -0.587 -10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.761 -2.713 -9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.014 -2.441 -11.118 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.147 -2.405 -12.031 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.875 -3.952 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.443 -2.275 -13.963 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.738 -4.722 -11.773 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.899 -5.333 -12.956 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.937 -3.064 -15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.012 -4.398 -15.045 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.558 -0.910 -7.906 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.078 -1.699 -6.778 1.00 0.00 C ATOM 1176 C ALA A 96 -6.525 -1.090 -5.453 1.00 0.00 C ATOM 1177 O ALA A 96 -6.801 -1.809 -4.492 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.562 -1.816 -6.824 1.00 0.00 C ATOM 0 H ALA A 96 -5.857 -0.295 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.510 -2.697 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.217 -2.408 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.263 -2.303 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.119 -0.821 -6.777 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.591 0.236 -5.409 1.00 0.00 N ATOM 1185 CA TYR A 97 -7.000 0.940 -4.200 1.00 0.00 C ATOM 1186 C TYR A 97 -8.446 0.612 -3.842 1.00 0.00 C ATOM 1187 O TYR A 97 -8.798 0.501 -2.668 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.838 2.449 -4.385 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.628 3.269 -3.390 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.134 3.517 -2.116 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.869 3.798 -3.726 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.852 4.265 -1.203 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.594 4.548 -2.819 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.082 4.778 -1.560 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.800 5.525 -0.655 1.00 0.00 O ATOM 0 H TYR A 97 -6.367 0.844 -6.196 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.359 0.610 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.782 2.706 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.150 2.718 -5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.171 3.118 -1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.273 3.620 -4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.453 4.447 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.557 4.952 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.643 5.812 -1.064 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.283 0.459 -4.865 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.691 0.143 -4.661 1.00 0.00 C ATOM 1207 C VAL A 98 -10.915 -1.365 -4.614 1.00 0.00 C ATOM 1208 O VAL A 98 -11.936 -1.838 -4.117 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.570 0.747 -5.772 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.042 0.640 -5.406 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.179 2.194 -6.030 1.00 0.00 C ATOM 0 H VAL A 98 -9.009 0.549 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.977 0.580 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.408 0.181 -6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.647 1.072 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.309 -0.409 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.226 1.180 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.809 2.606 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.312 2.775 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.135 2.239 -6.340 1.00 0.00 H new ATOM 1221 N THR A 99 -9.951 -2.117 -5.137 1.00 0.00 N ATOM 1222 CA THR A 99 -10.042 -3.571 -5.157 1.00 0.00 C ATOM 1223 C THR A 99 -9.242 -4.188 -4.016 1.00 0.00 C ATOM 1224 O THR A 99 -9.803 -4.826 -3.124 1.00 0.00 O ATOM 1225 CB THR A 99 -9.537 -4.148 -6.493 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.445 -3.809 -7.548 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.390 -5.660 -6.410 1.00 0.00 C ATOM 0 H THR A 99 -9.098 -1.742 -5.552 1.00 0.00 H new ATOM 0 HA THR A 99 -11.096 -3.823 -5.036 1.00 0.00 H new ATOM 0 HB THR A 99 -8.559 -3.715 -6.703 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.136 -2.994 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.032 -6.044 -7.365 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.676 -5.914 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.357 -6.107 -6.178 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.928 -3.994 -4.049 1.00 0.00 N ATOM 1236 CA LEU A 100 -7.049 -4.531 -3.015 1.00 0.00 C ATOM 1237 C LEU A 100 -7.509 -4.095 -1.628 1.00 0.00 C ATOM 1238 O LEU A 100 -7.620 -4.912 -0.715 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.610 -4.073 -3.254 1.00 0.00 C ATOM 1240 CG LEU A 100 -5.063 -4.286 -4.666 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.583 -3.940 -4.724 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.295 -5.720 -5.118 1.00 0.00 C ATOM 0 H LEU A 100 -7.448 -3.469 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.092 -5.619 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.544 -3.011 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.962 -4.597 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.597 -3.621 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.212 -4.098 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.442 -2.896 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.033 -4.578 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.899 -5.853 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.788 -6.403 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.364 -5.933 -5.117 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.779 -2.802 -1.478 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.230 -2.258 -0.203 1.00 0.00 C ATOM 1256 C ASN A 101 -9.418 -3.048 0.337 1.00 0.00 C ATOM 1257 O ASN A 101 -10.451 -3.164 -0.323 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.613 -0.784 -0.360 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.890 -0.114 0.971 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.424 -0.734 1.892 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.528 1.159 1.079 1.00 0.00 N ATOM 0 H ASN A 101 -7.693 -2.112 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.408 -2.340 0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.808 -0.255 -0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.497 -0.707 -0.994 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.689 1.663 1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.089 1.633 0.290 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.264 -3.589 1.540 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.332 -4.361 2.149 1.00 0.00 C ATOM 1270 C GLY A 102 -10.225 -5.842 1.841 1.00 0.00 C ATOM 1271 O GLY A 102 -10.832 -6.671 2.519 1.00 0.00 O ATOM 0 H GLY A 102 -8.419 -3.507 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.311 -4.215 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.293 -3.988 1.795 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.450 -6.178 0.815 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.265 -7.567 0.417 1.00 0.00 C ATOM 1277 C LYS A 103 -8.355 -8.297 1.399 1.00 0.00 C ATOM 1278 O LYS A 103 -7.528 -7.680 2.069 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.676 -7.641 -0.994 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.849 -8.998 -1.654 1.00 0.00 C ATOM 1281 CD LYS A 103 -8.046 -9.099 -2.940 1.00 0.00 C ATOM 1282 CE LYS A 103 -8.263 -10.437 -3.630 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.955 -11.582 -2.729 1.00 0.00 N ATOM 0 H LYS A 103 -8.939 -5.505 0.244 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.240 -8.054 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.148 -6.881 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.614 -7.401 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.534 -9.782 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.904 -9.167 -1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.332 -8.291 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.986 -8.970 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.297 -10.508 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.633 -10.494 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.900 -12.458 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.044 -11.416 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.705 -11.673 -2.015 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.511 -9.615 1.477 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.701 -10.428 2.376 1.00 0.00 C ATOM 1299 C GLU A 104 -6.639 -11.203 1.601 1.00 0.00 C ATOM 1300 O GLU A 104 -6.826 -11.534 0.431 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.588 -11.399 3.159 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.096 -10.833 4.475 1.00 0.00 C ATOM 1303 CD GLU A 104 -9.347 -11.908 5.514 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -10.437 -12.518 5.485 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -8.454 -12.139 6.356 1.00 0.00 O ATOM 0 H GLU A 104 -9.191 -10.142 0.929 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.199 -9.760 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.441 -11.679 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.026 -12.311 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.369 -10.120 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.020 -10.282 4.297 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.523 -11.490 2.264 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.431 -12.228 1.640 1.00 0.00 C ATOM 1314 C VAL A 105 -3.738 -13.140 2.645 1.00 0.00 C ATOM 1315 O VAL A 105 -3.615 -12.804 3.823 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.389 -11.273 1.026 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.938 -10.622 -0.235 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.969 -10.220 2.040 1.00 0.00 C ATOM 0 H VAL A 105 -5.351 -11.223 3.233 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.870 -12.834 0.848 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.508 -11.853 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.188 -9.951 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.184 -11.393 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.836 -10.055 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.233 -9.554 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.841 -9.642 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.532 -10.708 2.911 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.285 -14.297 2.173 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.603 -15.259 3.030 1.00 0.00 C ATOM 1330 C VAL A 106 -1.135 -14.887 3.212 1.00 0.00 C ATOM 1331 O VAL A 106 -0.346 -14.950 2.270 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.691 -16.685 2.455 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.651 -17.587 3.101 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.091 -17.249 2.647 1.00 0.00 C ATOM 0 H VAL A 106 -3.378 -14.591 1.201 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.105 -15.234 3.997 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.484 -16.641 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.729 -18.590 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.655 -17.189 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.823 -17.629 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.137 -18.257 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.328 -17.280 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.813 -16.614 2.133 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.777 -14.501 4.432 1.00 0.00 N ATOM 1345 CA ASP A 107 0.597 -14.119 4.739 1.00 0.00 C ATOM 1346 C ASP A 107 1.490 -15.352 4.853 1.00 0.00 C ATOM 1347 O ASP A 107 1.040 -16.478 4.642 1.00 0.00 O ATOM 1348 CB ASP A 107 0.647 -13.317 6.040 1.00 0.00 C ATOM 1349 CG ASP A 107 0.715 -14.206 7.267 1.00 0.00 C ATOM 1350 OD1 ASP A 107 0.135 -15.311 7.231 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.347 -13.795 8.263 1.00 0.00 O ATOM 0 H ASP A 107 -1.418 -14.444 5.223 1.00 0.00 H new ATOM 0 HA ASP A 107 0.967 -13.497 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.515 -12.658 6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.235 -12.680 6.105 1.00 0.00 H new ATOM 1356 N ASP A 108 2.756 -15.129 5.186 1.00 0.00 N ATOM 1357 CA ASP A 108 3.713 -16.221 5.328 1.00 0.00 C ATOM 1358 C ASP A 108 3.229 -17.237 6.357 1.00 0.00 C ATOM 1359 O ASP A 108 3.391 -18.445 6.176 1.00 0.00 O ATOM 1360 CB ASP A 108 5.083 -15.677 5.735 1.00 0.00 C ATOM 1361 CG ASP A 108 5.867 -15.139 4.555 1.00 0.00 C ATOM 1362 OD1 ASP A 108 5.594 -15.571 3.416 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.755 -14.287 4.769 1.00 0.00 O ATOM 0 H ASP A 108 3.144 -14.202 5.363 1.00 0.00 H new ATOM 0 HA ASP A 108 3.802 -16.722 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 108 4.952 -14.884 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.656 -16.469 6.217 1.00 0.00 H new ATOM 1368 N LEU A 109 2.635 -16.742 7.437 1.00 0.00 N ATOM 1369 CA LEU A 109 2.128 -17.607 8.497 1.00 0.00 C ATOM 1370 C LEU A 109 1.034 -18.529 7.969 1.00 0.00 C ATOM 1371 O LEU A 109 0.841 -19.633 8.476 1.00 0.00 O ATOM 1372 CB LEU A 109 1.588 -16.766 9.655 1.00 0.00 C ATOM 1373 CG LEU A 109 2.549 -15.728 10.236 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.880 -14.952 11.359 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.822 -16.399 10.732 1.00 0.00 C ATOM 0 H LEU A 109 2.492 -15.746 7.602 1.00 0.00 H new ATOM 0 HA LEU A 109 2.953 -18.221 8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.690 -16.250 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.285 -17.440 10.456 1.00 0.00 H new ATOM 0 HG LEU A 109 2.817 -15.026 9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.579 -14.218 11.760 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.998 -14.441 10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.583 -15.640 12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.494 -15.646 11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.573 -17.124 11.507 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.311 -16.909 9.902 1.00 0.00 H new ATOM 1387 N GLY A 110 0.321 -18.068 6.946 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.744 -18.866 6.365 1.00 0.00 C ATOM 1389 C GLY A 110 -2.120 -18.391 6.788 1.00 0.00 C ATOM 1390 O GLY A 110 -3.103 -19.117 6.646 1.00 0.00 O ATOM 0 H GLY A 110 0.461 -17.157 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.669 -18.831 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.616 -19.908 6.660 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.188 -17.172 7.312 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.454 -16.604 7.760 1.00 0.00 C ATOM 1396 C GLN A 111 -3.895 -15.466 6.844 1.00 0.00 C ATOM 1397 O GLN A 111 -3.067 -14.766 6.261 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.330 -16.096 9.198 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.936 -17.176 10.191 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.419 -16.880 11.598 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.554 -17.195 11.955 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.557 -16.271 12.404 1.00 0.00 N ATOM 0 H GLN A 111 -1.382 -16.559 7.437 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.208 -17.390 7.723 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.589 -15.297 9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.281 -15.661 9.505 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.346 -18.132 9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.851 -17.280 10.198 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.626 -16.028 12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.826 -16.046 13.362 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.206 -15.288 6.718 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.759 -14.236 5.873 1.00 0.00 C ATOM 1413 C LYS A 112 -5.755 -12.896 6.601 1.00 0.00 C ATOM 1414 O LYS A 112 -6.447 -12.722 7.605 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.185 -14.593 5.447 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.258 -15.787 4.512 1.00 0.00 C ATOM 1417 CD LYS A 112 -7.032 -15.378 3.066 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.464 -16.473 2.103 1.00 0.00 C ATOM 1419 NZ LYS A 112 -8.944 -16.637 2.078 1.00 0.00 N ATOM 0 H LYS A 112 -5.906 -15.860 7.191 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.132 -14.149 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.780 -14.801 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.636 -13.730 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.510 -16.525 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.232 -16.266 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.588 -14.465 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.977 -15.151 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.108 -16.236 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.999 -17.415 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.222 -17.153 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.248 -17.171 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.397 -15.701 2.081 1.00 0.00 H new ATOM 1433 N ILE A 113 -4.973 -11.951 6.090 1.00 0.00 N ATOM 1434 CA ILE A 113 -4.882 -10.626 6.690 1.00 0.00 C ATOM 1435 C ILE A 113 -5.564 -9.579 5.816 1.00 0.00 C ATOM 1436 O ILE A 113 -5.513 -9.649 4.587 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.417 -10.212 6.919 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.619 -11.378 7.507 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.347 -8.999 7.836 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.206 -11.007 7.897 1.00 0.00 C ATOM 0 H ILE A 113 -4.393 -12.079 5.261 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.391 -10.679 7.653 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.977 -9.944 5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.141 -11.759 8.385 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.585 -12.188 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.305 -8.718 7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.884 -8.167 7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.802 -9.242 8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.700 -11.881 8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.667 -10.654 7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.231 -10.218 8.649 1.00 0.00 H new ATOM 1452 N THR A 114 -6.204 -8.607 6.459 1.00 0.00 N ATOM 1453 CA THR A 114 -6.897 -7.544 5.741 1.00 0.00 C ATOM 1454 C THR A 114 -6.003 -6.321 5.572 1.00 0.00 C ATOM 1455 O THR A 114 -5.651 -5.657 6.548 1.00 0.00 O ATOM 1456 CB THR A 114 -8.189 -7.124 6.468 1.00 0.00 C ATOM 1457 OG1 THR A 114 -8.965 -8.283 6.796 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.015 -6.183 5.605 1.00 0.00 C ATOM 0 H THR A 114 -6.257 -8.534 7.475 1.00 0.00 H new ATOM 0 HA THR A 114 -7.154 -7.942 4.759 1.00 0.00 H new ATOM 0 HB THR A 114 -7.911 -6.601 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.784 -8.008 7.259 1.00 0.00 H new ATOM 0 HG21 THR A 114 -9.922 -5.901 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.433 -5.289 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.283 -6.684 4.675 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.638 -6.028 4.329 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.784 -4.883 4.031 1.00 0.00 C ATOM 1468 C LEU A 115 -5.607 -3.714 3.499 1.00 0.00 C ATOM 1469 O LEU A 115 -6.567 -3.906 2.752 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.712 -5.273 3.013 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.068 -6.645 3.208 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -2.015 -6.898 2.140 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.457 -6.755 4.598 1.00 0.00 C ATOM 0 H LEU A 115 -5.920 -6.568 3.511 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.300 -4.571 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.156 -5.240 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.926 -4.518 3.036 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.843 -7.405 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.568 -7.880 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.480 -6.863 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.241 -6.133 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.003 -7.739 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.695 -5.986 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.235 -6.620 5.349 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.223 -2.503 3.887 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.926 -1.302 3.449 1.00 0.00 C ATOM 1487 C TYR A 116 -4.999 -0.388 2.654 1.00 0.00 C ATOM 1488 O TYR A 116 -3.969 0.062 3.158 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.492 -0.549 4.653 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.781 -1.135 5.182 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.780 -2.304 5.933 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.001 -0.519 4.933 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.956 -2.845 6.417 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.182 -1.051 5.414 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.155 -2.214 6.156 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.328 -2.747 6.638 1.00 0.00 O ATOM 0 H TYR A 116 -4.430 -2.327 4.503 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.748 -1.609 2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.750 -0.546 5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.663 0.490 4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.843 -2.799 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.027 0.392 4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.937 -3.756 6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.122 -0.559 5.210 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.080 -2.181 6.367 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.371 -0.118 1.408 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.574 0.743 0.540 1.00 0.00 C ATOM 1508 C LEU A 117 -5.104 2.174 0.558 1.00 0.00 C ATOM 1509 O LEU A 117 -6.293 2.408 0.347 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.579 0.203 -0.891 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.630 -0.962 -1.172 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.226 -2.268 -0.669 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.321 -1.053 -2.659 1.00 0.00 C ATOM 0 H LEU A 117 -6.220 -0.483 0.975 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.551 0.749 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.593 -0.114 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.329 1.020 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.697 -0.782 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.537 -3.086 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.395 -2.201 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.174 -2.454 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.644 -1.888 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.246 -1.209 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.851 -0.127 -2.990 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.211 3.126 0.810 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.589 4.534 0.853 1.00 0.00 C ATOM 1527 C ASN A 118 -3.825 5.334 -0.198 1.00 0.00 C ATOM 1528 O ASN A 118 -2.666 5.044 -0.494 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.320 5.113 2.245 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.511 4.965 3.172 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.435 5.779 3.147 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.494 3.924 3.996 1.00 0.00 N ATOM 0 H ASN A 118 -3.222 2.948 0.987 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.655 4.606 0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.457 4.612 2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.063 6.168 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.268 3.773 4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.707 3.275 3.982 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.485 6.343 -0.758 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.869 7.186 -1.777 1.00 0.00 C ATOM 1541 C PHE A 119 -2.860 8.146 -1.152 1.00 0.00 C ATOM 1542 O PHE A 119 -3.211 8.969 -0.307 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.940 7.975 -2.531 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.748 7.134 -3.479 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.123 6.353 -4.438 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.132 7.126 -3.412 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.862 5.576 -5.311 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.877 6.352 -4.282 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.241 5.578 -5.234 1.00 0.00 C ATOM 0 H PHE A 119 -5.445 6.597 -0.524 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.342 6.539 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.611 8.442 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.462 8.780 -3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.045 6.351 -4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.634 7.731 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.362 4.969 -6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.955 6.352 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.822 4.975 -5.917 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.605 8.033 -1.575 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.545 8.891 -1.059 1.00 0.00 C ATOM 1561 C VAL A 120 0.023 9.785 -2.157 1.00 0.00 C ATOM 1562 O VAL A 120 0.358 9.313 -3.242 1.00 0.00 O ATOM 1563 CB VAL A 120 0.598 8.061 -0.445 1.00 0.00 C ATOM 1564 CG1 VAL A 120 0.103 7.280 0.762 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.197 7.127 -1.485 1.00 0.00 C ATOM 0 H VAL A 120 -1.298 7.356 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.990 9.513 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 120 1.379 8.744 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.925 6.700 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.274 7.973 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.698 6.606 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.003 6.549 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.426 6.450 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.592 7.712 -2.315 1.00 0.00 H new ATOM 1575 N GLU A 121 0.128 11.077 -1.865 1.00 0.00 N ATOM 1576 CA GLU A 121 0.655 12.037 -2.828 1.00 0.00 C ATOM 1577 C GLU A 121 2.177 11.958 -2.896 1.00 0.00 C ATOM 1578 O GLU A 121 2.766 12.026 -3.976 1.00 0.00 O ATOM 1579 CB GLU A 121 0.223 13.457 -2.454 1.00 0.00 C ATOM 1580 CG GLU A 121 0.386 13.775 -0.978 1.00 0.00 C ATOM 1581 CD GLU A 121 0.247 15.254 -0.680 1.00 0.00 C ATOM 1582 OE1 GLU A 121 1.064 16.043 -1.202 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.676 15.625 0.074 1.00 0.00 O ATOM 0 H GLU A 121 -0.145 11.483 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 121 0.251 11.789 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 121 0.806 14.170 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.822 13.595 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.360 13.222 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.364 13.431 -0.642 1.00 0.00 H new ATOM 1590 N LYS A 122 2.810 11.815 -1.737 1.00 0.00 N ATOM 1591 CA LYS A 122 4.263 11.726 -1.664 1.00 0.00 C ATOM 1592 C LYS A 122 4.692 10.589 -0.742 1.00 0.00 C ATOM 1593 O LYS A 122 3.932 10.157 0.125 1.00 0.00 O ATOM 1594 CB LYS A 122 4.852 13.048 -1.167 1.00 0.00 C ATOM 1595 CG LYS A 122 4.193 13.569 0.099 1.00 0.00 C ATOM 1596 CD LYS A 122 5.110 14.516 0.855 1.00 0.00 C ATOM 1597 CE LYS A 122 4.938 15.952 0.383 1.00 0.00 C ATOM 1598 NZ LYS A 122 6.146 16.777 0.667 1.00 0.00 N ATOM 0 H LYS A 122 2.339 11.758 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 122 4.640 11.521 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.918 12.915 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.755 13.798 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.267 14.084 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.924 12.731 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.898 14.455 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.147 14.208 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.736 15.961 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.072 16.395 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.990 17.749 0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.325 16.790 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.968 16.369 0.177 1.00 0.00 H new ATOM 1612 N VAL A 123 5.917 10.107 -0.934 1.00 0.00 N ATOM 1613 CA VAL A 123 6.449 9.022 -0.118 1.00 0.00 C ATOM 1614 C VAL A 123 7.973 9.030 -0.119 1.00 0.00 C ATOM 1615 O VAL A 123 8.602 9.102 -1.175 1.00 0.00 O ATOM 1616 CB VAL A 123 5.952 7.652 -0.615 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.545 6.531 0.226 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.432 7.596 -0.596 1.00 0.00 C ATOM 0 H VAL A 123 6.559 10.451 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 123 6.090 9.184 0.898 1.00 0.00 H new ATOM 0 HB VAL A 123 6.284 7.517 -1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.182 5.571 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.632 6.559 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.246 6.659 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.099 6.620 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.075 7.753 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.031 8.374 -1.246 1.00 0.00 H new ATOM 1628 N GLN A 124 8.560 8.953 1.071 1.00 0.00 N ATOM 1629 CA GLN A 124 10.012 8.951 1.206 1.00 0.00 C ATOM 1630 C GLN A 124 10.620 7.727 0.531 1.00 0.00 C ATOM 1631 O GLN A 124 10.996 6.762 1.195 1.00 0.00 O ATOM 1632 CB GLN A 124 10.407 8.982 2.684 1.00 0.00 C ATOM 1633 CG GLN A 124 10.000 10.262 3.396 1.00 0.00 C ATOM 1634 CD GLN A 124 11.059 11.344 3.303 1.00 0.00 C ATOM 1635 OE1 GLN A 124 11.859 11.366 2.368 1.00 0.00 O ATOM 1636 NE2 GLN A 124 11.068 12.248 4.276 1.00 0.00 N ATOM 0 H GLN A 124 8.053 8.891 1.954 1.00 0.00 H new ATOM 0 HA GLN A 124 10.399 9.844 0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 124 9.950 8.133 3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.487 8.858 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.069 10.632 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.802 10.042 4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.385 12.191 5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.757 13.000 4.267 1.00 0.00 H new ATOM 1645 N TRP A 125 10.714 7.774 -0.793 1.00 0.00 N ATOM 1646 CA TRP A 125 11.277 6.667 -1.559 1.00 0.00 C ATOM 1647 C TRP A 125 12.778 6.549 -1.320 1.00 0.00 C ATOM 1648 O TRP A 125 13.361 7.330 -0.569 1.00 0.00 O ATOM 1649 CB TRP A 125 10.999 6.859 -3.051 1.00 0.00 C ATOM 1650 CG TRP A 125 9.539 6.857 -3.388 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.734 7.947 -3.553 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.710 5.708 -3.598 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.454 7.547 -3.854 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.414 6.178 -3.888 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.936 4.330 -3.572 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.352 5.317 -4.149 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.881 3.477 -3.831 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.601 3.972 -4.116 1.00 0.00 C ATOM 0 H TRP A 125 10.408 8.566 -1.358 1.00 0.00 H new ATOM 0 HA TRP A 125 10.801 5.746 -1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.438 7.802 -3.377 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.495 6.066 -3.611 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.056 8.974 -3.461 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.663 8.168 -4.024 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.918 3.938 -3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.366 5.697 -4.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 8.045 2.410 -3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.796 3.279 -4.313 1.00 0.00 H new