USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 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 37 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 118 ASN : amide:sc= 0 X(o=0,f=0.082) USER MOD Set 2.1: A 80 LYS NZ :NH3+ 168:sc= 1.22 (180deg=-0.166) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 1.02 USER MOD Set 3.1: A 76 MET CE :methyl -119:sc= -0.0171 (180deg=-1.18) USER MOD Set 3.2: A 83 SER OG : rot 3:sc= -0.563 USER MOD Set 4.1: A 67 LYS NZ :NH3+ 155:sc= 0 (180deg=0) USER MOD Set 4.2: A 103 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0475) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -17:sc= -0.131 USER MOD Single : A 42 THR OG1 : rot 82:sc= 1.06 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= 0.00345 K(o=0.0034,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= -1.84 K(o=-1.8,f=-4.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0949 K(o=-0.095,f=-1.2!) USER MOD Single : A 60 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.8) USER MOD Single : A 68 CYS SG : rot -90:sc= -4.32! USER MOD Single : A 79 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.47) USER MOD Single : A 87 TYR OH : rot 180:sc= -2.24! USER MOD Single : A 89 THR OG1 : rot 111:sc= -0.936 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 93 SER OG : rot 158:sc= 1.16 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 101 ASN : amide:sc= -0.859 K(o=-0.86,f=-5.8!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 122 LYS NZ :NH3+ -160:sc= -0.069 (180deg=-0.372) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.457 8.260 9.405 1.00 0.00 N ATOM 231 CA ILE A 35 1.362 8.236 7.951 1.00 0.00 C ATOM 232 C ILE A 35 0.262 9.170 7.457 1.00 0.00 C ATOM 233 O ILE A 35 -0.853 9.162 7.977 1.00 0.00 O ATOM 234 CB ILE A 35 1.083 6.813 7.429 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.186 5.856 7.884 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.971 6.819 5.912 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.879 4.401 7.600 1.00 0.00 C ATOM 0 HA ILE A 35 2.324 8.574 7.566 1.00 0.00 H new ATOM 0 HB ILE A 35 0.135 6.468 7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.118 6.126 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.347 5.983 8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.774 5.807 5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.154 7.475 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.904 7.179 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.704 3.780 7.949 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.964 4.114 8.119 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.747 4.260 6.527 1.00 0.00 H new ATOM 249 N GLU A 36 0.584 9.973 6.448 1.00 0.00 N ATOM 250 CA GLU A 36 -0.377 10.913 5.883 1.00 0.00 C ATOM 251 C GLU A 36 -0.812 10.473 4.488 1.00 0.00 C ATOM 252 O GLU A 36 0.020 10.211 3.618 1.00 0.00 O ATOM 253 CB GLU A 36 0.226 12.318 5.821 1.00 0.00 C ATOM 254 CG GLU A 36 0.224 13.039 7.159 1.00 0.00 C ATOM 255 CD GLU A 36 -1.051 13.826 7.396 1.00 0.00 C ATOM 256 OE1 GLU A 36 -2.123 13.195 7.511 1.00 0.00 O ATOM 257 OE2 GLU A 36 -0.977 15.071 7.465 1.00 0.00 O ATOM 0 H GLU A 36 1.503 9.992 6.005 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.254 10.930 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.251 12.249 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.331 12.912 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.351 12.311 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.078 13.715 7.204 1.00 0.00 H new ATOM 264 N THR A 37 -2.123 10.395 4.281 1.00 0.00 N ATOM 265 CA THR A 37 -2.669 9.985 2.993 1.00 0.00 C ATOM 266 C THR A 37 -3.668 11.011 2.469 1.00 0.00 C ATOM 267 O THR A 37 -4.499 11.524 3.219 1.00 0.00 O ATOM 268 CB THR A 37 -3.364 8.613 3.088 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.630 8.749 3.743 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.497 7.621 3.848 1.00 0.00 C ATOM 0 H THR A 37 -2.826 10.610 4.988 1.00 0.00 H new ATOM 0 HA THR A 37 -1.829 9.912 2.302 1.00 0.00 H new ATOM 0 HB THR A 37 -3.519 8.237 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.771 7.988 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.007 6.659 3.903 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.546 7.498 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.316 7.994 4.856 1.00 0.00 H new ATOM 278 N VAL A 38 -3.581 11.307 1.176 1.00 0.00 N ATOM 279 CA VAL A 38 -4.478 12.271 0.551 1.00 0.00 C ATOM 280 C VAL A 38 -5.822 11.634 0.214 1.00 0.00 C ATOM 281 O VAL A 38 -6.062 10.467 0.524 1.00 0.00 O ATOM 282 CB VAL A 38 -3.865 12.857 -0.736 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.673 13.740 -0.404 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.464 11.741 -1.690 1.00 0.00 C ATOM 0 H VAL A 38 -2.898 10.893 0.541 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.630 13.074 1.272 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.617 13.473 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.253 14.145 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.995 14.559 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.915 13.150 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.033 12.172 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.728 11.097 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.344 11.153 -1.952 1.00 0.00 H new ATOM 294 N SER A 39 -6.696 12.408 -0.421 1.00 0.00 N ATOM 295 CA SER A 39 -8.017 11.921 -0.796 1.00 0.00 C ATOM 296 C SER A 39 -8.074 11.594 -2.285 1.00 0.00 C ATOM 297 O SER A 39 -8.601 10.556 -2.685 1.00 0.00 O ATOM 298 CB SER A 39 -9.085 12.961 -0.450 1.00 0.00 C ATOM 299 OG SER A 39 -10.378 12.379 -0.433 1.00 0.00 O ATOM 0 H SER A 39 -6.512 13.376 -0.686 1.00 0.00 H new ATOM 0 HA SER A 39 -8.213 11.008 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.868 13.400 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.057 13.771 -1.178 1.00 0.00 H new ATOM 0 HG SER A 39 -11.042 13.064 -0.208 1.00 0.00 H new ATOM 305 N TYR A 40 -7.527 12.488 -3.102 1.00 0.00 N ATOM 306 CA TYR A 40 -7.516 12.297 -4.547 1.00 0.00 C ATOM 307 C TYR A 40 -6.706 11.062 -4.927 1.00 0.00 C ATOM 308 O TYR A 40 -6.021 10.474 -4.092 1.00 0.00 O ATOM 309 CB TYR A 40 -6.940 13.533 -5.241 1.00 0.00 C ATOM 310 CG TYR A 40 -5.430 13.595 -5.209 1.00 0.00 C ATOM 311 CD1 TYR A 40 -4.755 14.002 -4.064 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.677 13.248 -6.324 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.375 14.061 -4.032 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.297 13.303 -6.300 1.00 0.00 C ATOM 315 CZ TYR A 40 -2.650 13.710 -5.152 1.00 0.00 C ATOM 316 OH TYR A 40 -1.276 13.768 -5.124 1.00 0.00 O ATOM 0 H TYR A 40 -7.085 13.352 -2.788 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.544 12.150 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.274 13.546 -6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.342 14.427 -4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.319 14.277 -3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.180 12.930 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.866 14.380 -3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.728 13.029 -7.176 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.987 14.319 -4.367 1.00 0.00 H new ATOM 326 N ALA A 41 -6.791 10.675 -6.196 1.00 0.00 N ATOM 327 CA ALA A 41 -6.064 9.512 -6.689 1.00 0.00 C ATOM 328 C ALA A 41 -4.578 9.817 -6.844 1.00 0.00 C ATOM 329 O ALA A 41 -4.199 10.891 -7.313 1.00 0.00 O ATOM 330 CB ALA A 41 -6.650 9.047 -8.015 1.00 0.00 C ATOM 0 H ALA A 41 -7.356 11.150 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.169 8.712 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.098 8.178 -8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.697 8.779 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.575 9.851 -8.748 1.00 0.00 H new ATOM 336 N THR A 42 -3.739 8.866 -6.445 1.00 0.00 N ATOM 337 CA THR A 42 -2.294 9.035 -6.538 1.00 0.00 C ATOM 338 C THR A 42 -1.629 7.783 -7.100 1.00 0.00 C ATOM 339 O THR A 42 -1.984 6.663 -6.730 1.00 0.00 O ATOM 340 CB THR A 42 -1.677 9.357 -5.164 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.066 8.365 -4.207 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.116 10.732 -4.684 1.00 0.00 C ATOM 0 H THR A 42 -4.035 7.971 -6.055 1.00 0.00 H new ATOM 0 HA THR A 42 -2.116 9.872 -7.213 1.00 0.00 H new ATOM 0 HB THR A 42 -0.592 9.354 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.487 7.579 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.668 10.938 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.793 11.488 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.202 10.757 -4.596 1.00 0.00 H new ATOM 350 N GLN A 43 -0.665 7.980 -7.992 1.00 0.00 N ATOM 351 CA GLN A 43 0.049 6.865 -8.604 1.00 0.00 C ATOM 352 C GLN A 43 0.657 5.959 -7.540 1.00 0.00 C ATOM 353 O GLN A 43 0.932 4.786 -7.792 1.00 0.00 O ATOM 354 CB GLN A 43 1.145 7.385 -9.536 1.00 0.00 C ATOM 355 CG GLN A 43 0.668 7.630 -10.959 1.00 0.00 C ATOM 356 CD GLN A 43 1.770 8.149 -11.862 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.029 9.352 -11.916 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.425 7.243 -12.577 1.00 0.00 N ATOM 0 H GLN A 43 -0.360 8.901 -8.308 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.666 6.283 -9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.544 8.315 -9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.965 6.667 -9.555 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.273 6.701 -11.371 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.153 8.347 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.177 6.257 -12.501 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.177 7.533 -13.203 1.00 0.00 H new ATOM 367 N SER A 44 0.865 6.510 -6.347 1.00 0.00 N ATOM 368 CA SER A 44 1.444 5.751 -5.246 1.00 0.00 C ATOM 369 C SER A 44 0.368 5.330 -4.250 1.00 0.00 C ATOM 370 O SER A 44 -0.651 6.005 -4.096 1.00 0.00 O ATOM 371 CB SER A 44 2.514 6.582 -4.534 1.00 0.00 C ATOM 372 OG SER A 44 3.484 7.058 -5.452 1.00 0.00 O ATOM 0 H SER A 44 0.641 7.479 -6.120 1.00 0.00 H new ATOM 0 HA SER A 44 1.904 4.853 -5.659 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.046 7.425 -4.025 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.999 5.977 -3.768 1.00 0.00 H new ATOM 0 HG SER A 44 4.156 7.587 -4.973 1.00 0.00 H new ATOM 378 N LEU A 45 0.600 4.208 -3.577 1.00 0.00 N ATOM 379 CA LEU A 45 -0.350 3.694 -2.596 1.00 0.00 C ATOM 380 C LEU A 45 0.376 3.141 -1.374 1.00 0.00 C ATOM 381 O LEU A 45 1.504 2.660 -1.474 1.00 0.00 O ATOM 382 CB LEU A 45 -1.221 2.604 -3.223 1.00 0.00 C ATOM 383 CG LEU A 45 -2.154 3.054 -4.348 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.728 1.850 -5.078 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.270 3.929 -3.796 1.00 0.00 C ATOM 0 H LEU A 45 1.437 3.637 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.986 4.519 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.567 1.823 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.825 2.152 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.577 3.643 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.390 2.189 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.916 1.263 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.291 1.234 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.925 4.240 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.846 3.365 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.840 4.810 -3.319 1.00 0.00 H new ATOM 397 N VAL A 46 -0.280 3.213 -0.219 1.00 0.00 N ATOM 398 CA VAL A 46 0.301 2.717 1.022 1.00 0.00 C ATOM 399 C VAL A 46 -0.439 1.480 1.519 1.00 0.00 C ATOM 400 O VAL A 46 -1.625 1.541 1.843 1.00 0.00 O ATOM 401 CB VAL A 46 0.276 3.794 2.123 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.153 4.083 2.556 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.126 3.361 3.309 1.00 0.00 C ATOM 0 H VAL A 46 -1.214 3.610 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 46 1.336 2.455 0.804 1.00 0.00 H new ATOM 0 HB VAL A 46 0.699 4.714 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.150 4.846 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.727 4.439 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.607 3.171 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.098 4.133 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.735 2.429 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.155 3.211 2.983 1.00 0.00 H new ATOM 413 N VAL A 47 0.271 0.358 1.579 1.00 0.00 N ATOM 414 CA VAL A 47 -0.318 -0.895 2.039 1.00 0.00 C ATOM 415 C VAL A 47 -0.330 -0.970 3.562 1.00 0.00 C ATOM 416 O VAL A 47 0.717 -1.101 4.195 1.00 0.00 O ATOM 417 CB VAL A 47 0.445 -2.112 1.482 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.409 -3.366 1.575 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.878 -1.857 0.046 1.00 0.00 C ATOM 0 H VAL A 47 1.254 0.291 1.315 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.343 -0.918 1.669 1.00 0.00 H new ATOM 0 HB VAL A 47 1.340 -2.266 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.147 -4.215 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.664 -3.556 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.323 -3.227 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.416 -2.727 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.001 -1.677 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.530 -0.984 0.012 1.00 0.00 H new ATOM 429 N ALA A 48 -1.522 -0.885 4.143 1.00 0.00 N ATOM 430 CA ALA A 48 -1.671 -0.946 5.592 1.00 0.00 C ATOM 431 C ALA A 48 -1.755 -2.391 6.075 1.00 0.00 C ATOM 432 O ALA A 48 -2.023 -3.301 5.294 1.00 0.00 O ATOM 433 CB ALA A 48 -2.904 -0.170 6.028 1.00 0.00 C ATOM 0 H ALA A 48 -2.398 -0.774 3.633 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.790 -0.490 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.003 -0.224 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.804 0.872 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.789 -0.601 5.561 1.00 0.00 H new ATOM 439 N ASN A 49 -1.522 -2.591 7.368 1.00 0.00 N ATOM 440 CA ASN A 49 -1.569 -3.925 7.955 1.00 0.00 C ATOM 441 C ASN A 49 -0.693 -4.897 7.169 1.00 0.00 C ATOM 442 O ASN A 49 -0.921 -6.105 7.185 1.00 0.00 O ATOM 443 CB ASN A 49 -3.011 -4.438 7.993 1.00 0.00 C ATOM 444 CG ASN A 49 -3.857 -3.709 9.019 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.379 -2.803 9.703 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.121 -4.101 9.130 1.00 0.00 N ATOM 0 H ASN A 49 -1.299 -1.847 8.029 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.186 -3.860 8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.461 -4.323 7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.009 -5.504 8.219 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.739 -3.647 9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.474 -4.856 8.542 1.00 0.00 H new ATOM 453 N GLY A 50 0.311 -4.358 6.484 1.00 0.00 N ATOM 454 CA GLY A 50 1.207 -5.190 5.703 1.00 0.00 C ATOM 455 C GLY A 50 2.664 -4.949 6.040 1.00 0.00 C ATOM 456 O GLY A 50 3.047 -4.950 7.209 1.00 0.00 O ATOM 0 H GLY A 50 0.520 -3.360 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.966 -6.239 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.046 -4.996 4.643 1.00 0.00 H new ATOM 460 N GLY A 51 3.482 -4.742 5.012 1.00 0.00 N ATOM 461 CA GLY A 51 4.897 -4.502 5.226 1.00 0.00 C ATOM 462 C GLY A 51 5.614 -5.717 5.781 1.00 0.00 C ATOM 463 O GLY A 51 5.008 -6.546 6.464 1.00 0.00 O ATOM 0 H GLY A 51 3.190 -4.736 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.360 -4.210 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.020 -3.665 5.914 1.00 0.00 H new ATOM 467 N LEU A 52 6.904 -5.827 5.488 1.00 0.00 N ATOM 468 CA LEU A 52 7.704 -6.950 5.961 1.00 0.00 C ATOM 469 C LEU A 52 7.352 -7.300 7.404 1.00 0.00 C ATOM 470 O LEU A 52 7.061 -8.453 7.721 1.00 0.00 O ATOM 471 CB LEU A 52 9.194 -6.623 5.853 1.00 0.00 C ATOM 472 CG LEU A 52 9.706 -6.273 4.456 1.00 0.00 C ATOM 473 CD1 LEU A 52 11.019 -5.511 4.543 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.872 -7.532 3.618 1.00 0.00 C ATOM 0 H LEU A 52 7.419 -5.151 4.924 1.00 0.00 H new ATOM 0 HA LEU A 52 7.481 -7.812 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.411 -5.786 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.761 -7.478 6.222 1.00 0.00 H new ATOM 0 HG LEU A 52 8.970 -5.632 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.368 -5.271 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.868 -4.589 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.764 -6.126 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.237 -7.264 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.587 -8.198 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.911 -8.037 3.526 1.00 0.00 H new ATOM 486 N GLY A 53 7.378 -6.296 8.275 1.00 0.00 N ATOM 487 CA GLY A 53 7.057 -6.517 9.672 1.00 0.00 C ATOM 488 C GLY A 53 5.897 -7.475 9.857 1.00 0.00 C ATOM 489 O GLY A 53 5.891 -8.282 10.785 1.00 0.00 O ATOM 0 H GLY A 53 7.616 -5.333 8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.934 -6.911 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.815 -5.563 10.141 1.00 0.00 H new ATOM 493 N ASN A 54 4.911 -7.384 8.971 1.00 0.00 N ATOM 494 CA ASN A 54 3.737 -8.248 9.041 1.00 0.00 C ATOM 495 C ASN A 54 3.989 -9.565 8.313 1.00 0.00 C ATOM 496 O ASN A 54 3.077 -10.142 7.721 1.00 0.00 O ATOM 497 CB ASN A 54 2.521 -7.543 8.438 1.00 0.00 C ATOM 498 CG ASN A 54 1.996 -6.433 9.328 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.769 -5.690 9.933 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.676 -6.317 9.412 1.00 0.00 N ATOM 0 H ASN A 54 4.901 -6.721 8.196 1.00 0.00 H new ATOM 0 HA ASN A 54 3.538 -8.465 10.090 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.789 -7.129 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.730 -8.273 8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.264 -5.589 9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.074 -6.956 8.892 1.00 0.00 H new ATOM 507 N GLY A 55 5.231 -10.036 8.363 1.00 0.00 N ATOM 508 CA GLY A 55 5.579 -11.281 7.706 1.00 0.00 C ATOM 509 C GLY A 55 5.106 -11.329 6.266 1.00 0.00 C ATOM 510 O GLY A 55 4.703 -12.383 5.772 1.00 0.00 O ATOM 0 H GLY A 55 6.002 -9.577 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.661 -11.413 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.141 -12.114 8.257 1.00 0.00 H new ATOM 514 N VAL A 56 5.155 -10.186 5.591 1.00 0.00 N ATOM 515 CA VAL A 56 4.727 -10.101 4.199 1.00 0.00 C ATOM 516 C VAL A 56 5.910 -9.837 3.276 1.00 0.00 C ATOM 517 O VAL A 56 6.487 -8.750 3.284 1.00 0.00 O ATOM 518 CB VAL A 56 3.677 -8.991 4.002 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.535 -8.647 2.526 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.340 -9.411 4.592 1.00 0.00 C ATOM 0 H VAL A 56 5.487 -9.305 5.985 1.00 0.00 H new ATOM 0 HA VAL A 56 4.280 -11.062 3.945 1.00 0.00 H new ATOM 0 HB VAL A 56 4.014 -8.098 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.789 -7.861 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.493 -8.300 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.221 -9.533 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.611 -8.615 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.993 -10.318 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.457 -9.602 5.659 1.00 0.00 H new ATOM 530 N SER A 57 6.267 -10.840 2.479 1.00 0.00 N ATOM 531 CA SER A 57 7.385 -10.717 1.551 1.00 0.00 C ATOM 532 C SER A 57 6.960 -9.982 0.282 1.00 0.00 C ATOM 533 O SER A 57 5.782 -9.970 -0.076 1.00 0.00 O ATOM 534 CB SER A 57 7.932 -12.100 1.193 1.00 0.00 C ATOM 535 OG SER A 57 9.202 -12.002 0.575 1.00 0.00 O ATOM 0 H SER A 57 5.798 -11.746 2.458 1.00 0.00 H new ATOM 0 HA SER A 57 8.169 -10.139 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.009 -12.708 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.237 -12.607 0.524 1.00 0.00 H new ATOM 0 HG SER A 57 9.530 -12.899 0.358 1.00 0.00 H new ATOM 541 N ARG A 58 7.929 -9.372 -0.393 1.00 0.00 N ATOM 542 CA ARG A 58 7.656 -8.634 -1.620 1.00 0.00 C ATOM 543 C ARG A 58 7.113 -9.561 -2.703 1.00 0.00 C ATOM 544 O ARG A 58 6.221 -9.188 -3.463 1.00 0.00 O ATOM 545 CB ARG A 58 8.926 -7.942 -2.117 1.00 0.00 C ATOM 546 CG ARG A 58 8.766 -7.272 -3.472 1.00 0.00 C ATOM 547 CD ARG A 58 10.114 -6.940 -4.093 1.00 0.00 C ATOM 548 NE ARG A 58 9.972 -6.286 -5.391 1.00 0.00 N ATOM 549 CZ ARG A 58 10.960 -6.180 -6.273 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.156 -6.683 -5.997 1.00 0.00 N ATOM 551 NH2 ARG A 58 10.753 -5.571 -7.432 1.00 0.00 N ATOM 0 H ARG A 58 8.909 -9.374 -0.111 1.00 0.00 H new ATOM 0 HA ARG A 58 6.901 -7.879 -1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.232 -7.194 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.729 -8.676 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.208 -7.929 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.181 -6.359 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.674 -6.291 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.695 -7.855 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 58 9.064 -5.889 -5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.319 -7.152 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.913 -6.600 -6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.835 -5.183 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.512 -5.490 -8.108 1.00 0.00 H new ATOM 565 N ASN A 59 7.658 -10.772 -2.766 1.00 0.00 N ATOM 566 CA ASN A 59 7.228 -11.752 -3.756 1.00 0.00 C ATOM 567 C ASN A 59 5.849 -12.308 -3.411 1.00 0.00 C ATOM 568 O ASN A 59 5.265 -13.066 -4.182 1.00 0.00 O ATOM 569 CB ASN A 59 8.242 -12.895 -3.846 1.00 0.00 C ATOM 570 CG ASN A 59 9.452 -12.530 -4.686 1.00 0.00 C ATOM 571 OD1 ASN A 59 9.341 -11.794 -5.667 1.00 0.00 O ATOM 572 ND2 ASN A 59 10.614 -13.044 -4.302 1.00 0.00 N ATOM 0 H ASN A 59 8.398 -11.097 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 59 7.166 -11.251 -4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.569 -13.167 -2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.758 -13.773 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.463 -12.834 -4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.658 -13.649 -3.482 1.00 0.00 H new ATOM 579 N GLN A 60 5.338 -11.921 -2.247 1.00 0.00 N ATOM 580 CA GLN A 60 4.028 -12.380 -1.798 1.00 0.00 C ATOM 581 C GLN A 60 3.004 -11.251 -1.864 1.00 0.00 C ATOM 582 O GLN A 60 1.797 -11.495 -1.889 1.00 0.00 O ATOM 583 CB GLN A 60 4.115 -12.924 -0.371 1.00 0.00 C ATOM 584 CG GLN A 60 2.759 -13.171 0.270 1.00 0.00 C ATOM 585 CD GLN A 60 1.920 -14.170 -0.505 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.427 -14.883 -1.371 1.00 0.00 O ATOM 587 NE2 GLN A 60 0.631 -14.225 -0.196 1.00 0.00 N ATOM 0 H GLN A 60 5.810 -11.291 -1.598 1.00 0.00 H new ATOM 0 HA GLN A 60 3.704 -13.180 -2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.678 -13.857 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.675 -12.220 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.903 -13.535 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.218 -12.227 0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.254 -13.615 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.017 -14.878 -0.684 1.00 0.00 H new ATOM 596 N LEU A 61 3.493 -10.017 -1.891 1.00 0.00 N ATOM 597 CA LEU A 61 2.621 -8.850 -1.953 1.00 0.00 C ATOM 598 C LEU A 61 2.573 -8.280 -3.368 1.00 0.00 C ATOM 599 O LEU A 61 1.512 -7.883 -3.853 1.00 0.00 O ATOM 600 CB LEU A 61 3.101 -7.776 -0.976 1.00 0.00 C ATOM 601 CG LEU A 61 2.070 -6.718 -0.580 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.904 -7.358 0.156 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.716 -5.638 0.276 1.00 0.00 C ATOM 0 H LEU A 61 4.489 -9.798 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 61 1.616 -9.164 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.452 -8.269 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.960 -7.270 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 61 1.688 -6.253 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.181 -6.590 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.425 -8.093 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.269 -7.850 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.968 -4.894 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.127 -6.087 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.517 -5.158 -0.287 1.00 0.00 H new ATOM 615 N LEU A 62 3.727 -8.244 -4.025 1.00 0.00 N ATOM 616 CA LEU A 62 3.816 -7.726 -5.386 1.00 0.00 C ATOM 617 C LEU A 62 2.856 -8.463 -6.313 1.00 0.00 C ATOM 618 O LEU A 62 2.173 -7.864 -7.144 1.00 0.00 O ATOM 619 CB LEU A 62 5.249 -7.855 -5.908 1.00 0.00 C ATOM 620 CG LEU A 62 5.412 -7.835 -7.428 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.235 -6.424 -7.965 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.773 -8.391 -7.825 1.00 0.00 C ATOM 0 H LEU A 62 4.614 -8.567 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 62 3.536 -6.673 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.842 -7.043 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.670 -8.786 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 62 4.640 -8.468 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.354 -6.429 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.239 -6.060 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.984 -5.769 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.872 -8.369 -8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.559 -7.784 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.863 -9.419 -7.473 1.00 0.00 H new ATOM 634 N PRO A 63 2.800 -9.795 -6.171 1.00 0.00 N ATOM 635 CA PRO A 63 1.925 -10.643 -6.985 1.00 0.00 C ATOM 636 C PRO A 63 0.500 -10.106 -7.056 1.00 0.00 C ATOM 637 O PRO A 63 -0.175 -10.239 -8.077 1.00 0.00 O ATOM 638 CB PRO A 63 1.954 -11.989 -6.256 1.00 0.00 C ATOM 639 CG PRO A 63 3.257 -12.000 -5.535 1.00 0.00 C ATOM 640 CD PRO A 63 3.587 -10.577 -5.202 1.00 0.00 C ATOM 0 HA PRO A 63 2.260 -10.697 -8.021 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.117 -12.082 -5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.882 -12.821 -6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.191 -12.602 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.037 -12.441 -6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.313 -10.333 -4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.654 -10.380 -5.303 1.00 0.00 H new ATOM 648 N VAL A 64 0.047 -9.497 -5.965 1.00 0.00 N ATOM 649 CA VAL A 64 -1.298 -8.939 -5.904 1.00 0.00 C ATOM 650 C VAL A 64 -1.350 -7.559 -6.550 1.00 0.00 C ATOM 651 O VAL A 64 -2.390 -7.139 -7.060 1.00 0.00 O ATOM 652 CB VAL A 64 -1.796 -8.831 -4.450 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.242 -8.363 -4.414 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.641 -10.165 -3.734 1.00 0.00 C ATOM 0 H VAL A 64 0.592 -9.378 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.948 -9.620 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.187 -8.092 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.576 -8.293 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.320 -7.384 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.869 -9.076 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.997 -10.071 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.224 -10.926 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.590 -10.455 -3.728 1.00 0.00 H new ATOM 664 N LEU A 65 -0.223 -6.858 -6.526 1.00 0.00 N ATOM 665 CA LEU A 65 -0.138 -5.524 -7.110 1.00 0.00 C ATOM 666 C LEU A 65 0.066 -5.603 -8.621 1.00 0.00 C ATOM 667 O LEU A 65 -0.208 -4.646 -9.344 1.00 0.00 O ATOM 668 CB LEU A 65 1.008 -4.737 -6.471 1.00 0.00 C ATOM 669 CG LEU A 65 0.964 -4.608 -4.947 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.339 -4.249 -4.404 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.066 -3.568 -4.530 1.00 0.00 C ATOM 0 H LEU A 65 0.646 -7.191 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.078 -5.009 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.949 -5.213 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.019 -3.735 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 65 0.669 -5.570 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.290 -4.161 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.051 -5.029 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.662 -3.299 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.084 -3.489 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.198 -2.602 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.051 -3.867 -4.888 1.00 0.00 H new ATOM 683 N GLU A 66 0.546 -6.751 -9.089 1.00 0.00 N ATOM 684 CA GLU A 66 0.783 -6.955 -10.512 1.00 0.00 C ATOM 685 C GLU A 66 -0.505 -7.344 -11.229 1.00 0.00 C ATOM 686 O GLU A 66 -0.715 -6.991 -12.390 1.00 0.00 O ATOM 687 CB GLU A 66 1.845 -8.035 -10.725 1.00 0.00 C ATOM 688 CG GLU A 66 3.251 -7.589 -10.360 1.00 0.00 C ATOM 689 CD GLU A 66 4.283 -8.679 -10.572 1.00 0.00 C ATOM 690 OE1 GLU A 66 3.981 -9.851 -10.264 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.394 -8.360 -11.046 1.00 0.00 O ATOM 0 H GLU A 66 0.778 -7.553 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 66 1.141 -6.015 -10.932 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.585 -8.910 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.831 -8.345 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.519 -6.719 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.269 -7.275 -9.316 1.00 0.00 H new ATOM 698 N LYS A 67 -1.367 -8.075 -10.530 1.00 0.00 N ATOM 699 CA LYS A 67 -2.636 -8.514 -11.097 1.00 0.00 C ATOM 700 C LYS A 67 -3.567 -7.328 -11.329 1.00 0.00 C ATOM 701 O LYS A 67 -4.278 -7.271 -12.333 1.00 0.00 O ATOM 702 CB LYS A 67 -3.308 -9.530 -10.172 1.00 0.00 C ATOM 703 CG LYS A 67 -3.524 -9.015 -8.758 1.00 0.00 C ATOM 704 CD LYS A 67 -4.467 -9.914 -7.976 1.00 0.00 C ATOM 705 CE LYS A 67 -3.895 -11.313 -7.808 1.00 0.00 C ATOM 706 NZ LYS A 67 -4.895 -12.255 -7.235 1.00 0.00 N ATOM 0 H LYS A 67 -1.209 -8.376 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.432 -8.987 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.270 -9.815 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.697 -10.432 -10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.566 -8.954 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.931 -8.004 -8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.657 -9.478 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.426 -9.972 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.557 -11.686 -8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.020 -11.272 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.656 -13.228 -7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.887 -12.181 -6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.842 -12.015 -7.592 1.00 0.00 H new ATOM 720 N CYS A 68 -3.557 -6.383 -10.396 1.00 0.00 N ATOM 721 CA CYS A 68 -4.400 -5.197 -10.499 1.00 0.00 C ATOM 722 C CYS A 68 -3.874 -4.247 -11.570 1.00 0.00 C ATOM 723 O CYS A 68 -4.624 -3.791 -12.432 1.00 0.00 O ATOM 724 CB CYS A 68 -4.471 -4.477 -9.151 1.00 0.00 C ATOM 725 SG CYS A 68 -5.674 -5.181 -8.001 1.00 0.00 S ATOM 0 H CYS A 68 -2.974 -6.415 -9.559 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.402 -5.518 -10.784 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.485 -4.499 -8.687 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.719 -3.430 -9.323 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.825 -4.601 -8.168 1.00 0.00 H new ATOM 731 N GLY A 69 -2.579 -3.952 -11.507 1.00 0.00 N ATOM 732 CA GLY A 69 -1.975 -3.056 -12.476 1.00 0.00 C ATOM 733 C GLY A 69 -0.476 -3.252 -12.592 1.00 0.00 C ATOM 734 O GLY A 69 0.069 -4.238 -12.093 1.00 0.00 O ATOM 0 H GLY A 69 -1.938 -4.317 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.436 -3.216 -13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.182 -2.025 -12.191 1.00 0.00 H new ATOM 738 N LEU A 70 0.193 -2.313 -13.251 1.00 0.00 N ATOM 739 CA LEU A 70 1.639 -2.387 -13.431 1.00 0.00 C ATOM 740 C LEU A 70 2.369 -1.829 -12.213 1.00 0.00 C ATOM 741 O LEU A 70 2.012 -0.773 -11.692 1.00 0.00 O ATOM 742 CB LEU A 70 2.055 -1.617 -14.686 1.00 0.00 C ATOM 743 CG LEU A 70 1.573 -2.195 -16.018 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.815 -1.205 -17.146 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.267 -3.518 -16.308 1.00 0.00 C ATOM 0 H LEU A 70 -0.242 -1.491 -13.670 1.00 0.00 H new ATOM 0 HA LEU A 70 1.913 -3.436 -13.547 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.685 -0.595 -14.601 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.143 -1.561 -14.710 1.00 0.00 H new ATOM 0 HG LEU A 70 0.501 -2.379 -15.947 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.466 -1.632 -18.086 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.271 -0.282 -16.943 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.881 -0.990 -17.219 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.912 -3.914 -17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.344 -3.360 -16.360 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.043 -4.229 -15.512 1.00 0.00 H new ATOM 757 N VAL A 71 3.395 -2.546 -11.766 1.00 0.00 N ATOM 758 CA VAL A 71 4.178 -2.122 -10.611 1.00 0.00 C ATOM 759 C VAL A 71 5.545 -1.597 -11.037 1.00 0.00 C ATOM 760 O VAL A 71 6.474 -2.371 -11.269 1.00 0.00 O ATOM 761 CB VAL A 71 4.372 -3.275 -9.610 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.263 -2.838 -8.457 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.028 -3.769 -9.098 1.00 0.00 C ATOM 0 H VAL A 71 3.703 -3.423 -12.186 1.00 0.00 H new ATOM 0 HA VAL A 71 3.619 -1.321 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 71 4.864 -4.100 -10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.388 -3.666 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.237 -2.538 -8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.803 -1.996 -7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.185 -4.584 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.506 -2.952 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.428 -4.125 -9.936 1.00 0.00 H new ATOM 773 N ASP A 72 5.660 -0.277 -11.139 1.00 0.00 N ATOM 774 CA ASP A 72 6.915 0.352 -11.535 1.00 0.00 C ATOM 775 C ASP A 72 7.961 0.219 -10.434 1.00 0.00 C ATOM 776 O ASP A 72 9.088 -0.210 -10.683 1.00 0.00 O ATOM 777 CB ASP A 72 6.687 1.828 -11.864 1.00 0.00 C ATOM 778 CG ASP A 72 6.348 2.051 -13.324 1.00 0.00 C ATOM 779 OD1 ASP A 72 5.598 1.228 -13.892 1.00 0.00 O ATOM 780 OD2 ASP A 72 6.829 3.048 -13.900 1.00 0.00 O ATOM 0 H ASP A 72 4.900 0.378 -10.953 1.00 0.00 H new ATOM 0 HA ASP A 72 7.284 -0.158 -12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.879 2.215 -11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.582 2.396 -11.611 1.00 0.00 H new ATOM 785 N ALA A 73 7.583 0.590 -9.216 1.00 0.00 N ATOM 786 CA ALA A 73 8.488 0.510 -8.076 1.00 0.00 C ATOM 787 C ALA A 73 7.723 0.244 -6.785 1.00 0.00 C ATOM 788 O ALA A 73 6.769 0.953 -6.458 1.00 0.00 O ATOM 789 CB ALA A 73 9.299 1.792 -7.957 1.00 0.00 C ATOM 0 H ALA A 73 6.655 0.949 -8.993 1.00 0.00 H new ATOM 0 HA ALA A 73 9.169 -0.325 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.971 1.719 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.883 1.939 -8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.625 2.637 -7.818 1.00 0.00 H new ATOM 795 N LEU A 74 8.146 -0.780 -6.053 1.00 0.00 N ATOM 796 CA LEU A 74 7.500 -1.141 -4.795 1.00 0.00 C ATOM 797 C LEU A 74 8.447 -0.936 -3.618 1.00 0.00 C ATOM 798 O LEU A 74 9.416 -1.678 -3.450 1.00 0.00 O ATOM 799 CB LEU A 74 7.029 -2.595 -4.839 1.00 0.00 C ATOM 800 CG LEU A 74 6.744 -3.250 -3.486 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.584 -2.554 -2.792 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.451 -4.733 -3.663 1.00 0.00 C ATOM 0 H LEU A 74 8.934 -1.376 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 74 6.636 -0.490 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.122 -2.644 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.787 -3.186 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 74 7.630 -3.148 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.395 -3.033 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.832 -1.505 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.692 -2.625 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.251 -5.183 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.580 -4.858 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.312 -5.222 -4.119 1.00 0.00 H new ATOM 814 N LEU A 75 8.161 0.074 -2.803 1.00 0.00 N ATOM 815 CA LEU A 75 8.987 0.376 -1.638 1.00 0.00 C ATOM 816 C LEU A 75 8.506 -0.400 -0.415 1.00 0.00 C ATOM 817 O LEU A 75 7.326 -0.363 -0.070 1.00 0.00 O ATOM 818 CB LEU A 75 8.963 1.877 -1.347 1.00 0.00 C ATOM 819 CG LEU A 75 9.647 2.320 -0.053 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.159 2.292 -0.211 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.177 3.710 0.350 1.00 0.00 C ATOM 0 H LEU A 75 7.364 0.698 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 75 10.010 0.072 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.436 2.396 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.924 2.204 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 75 9.372 1.622 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.628 2.610 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.481 1.279 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.453 2.967 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.674 4.009 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.421 4.420 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.098 3.698 0.506 1.00 0.00 H new ATOM 833 N MET A 76 9.430 -1.098 0.237 1.00 0.00 N ATOM 834 CA MET A 76 9.101 -1.878 1.424 1.00 0.00 C ATOM 835 C MET A 76 10.067 -1.568 2.563 1.00 0.00 C ATOM 836 O MET A 76 11.153 -2.138 2.661 1.00 0.00 O ATOM 837 CB MET A 76 9.136 -3.373 1.103 1.00 0.00 C ATOM 838 CG MET A 76 7.971 -3.839 0.244 1.00 0.00 C ATOM 839 SD MET A 76 7.798 -5.633 0.221 1.00 0.00 S ATOM 840 CE MET A 76 6.856 -5.902 1.721 1.00 0.00 C ATOM 0 H MET A 76 10.412 -1.139 -0.036 1.00 0.00 H new ATOM 0 HA MET A 76 8.094 -1.605 1.741 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.070 -3.604 0.590 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.137 -3.936 2.036 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.049 -3.394 0.617 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.109 -3.478 -0.775 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.431 -6.527 2.405 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.646 -4.943 2.195 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.917 -6.400 1.477 1.00 0.00 H new ATOM 850 N PRO A 77 9.664 -0.642 3.446 1.00 0.00 N ATOM 851 CA PRO A 77 10.478 -0.236 4.595 1.00 0.00 C ATOM 852 C PRO A 77 10.587 -1.334 5.647 1.00 0.00 C ATOM 853 O PRO A 77 9.592 -1.932 6.059 1.00 0.00 O ATOM 854 CB PRO A 77 9.723 0.971 5.157 1.00 0.00 C ATOM 855 CG PRO A 77 8.312 0.768 4.727 1.00 0.00 C ATOM 856 CD PRO A 77 8.381 0.078 3.393 1.00 0.00 C ATOM 0 HA PRO A 77 11.506 -0.016 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.803 1.018 6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.125 1.906 4.767 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.766 0.163 5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.787 1.720 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.543 -0.604 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.355 0.792 2.570 1.00 0.00 H new ATOM 864 N PRO A 78 11.821 -1.608 6.094 1.00 0.00 N ATOM 865 CA PRO A 78 12.088 -2.636 7.105 1.00 0.00 C ATOM 866 C PRO A 78 11.570 -2.240 8.484 1.00 0.00 C ATOM 867 O PRO A 78 11.689 -1.086 8.893 1.00 0.00 O ATOM 868 CB PRO A 78 13.615 -2.736 7.115 1.00 0.00 C ATOM 869 CG PRO A 78 14.085 -1.407 6.633 1.00 0.00 C ATOM 870 CD PRO A 78 13.052 -0.935 5.647 1.00 0.00 C ATOM 0 HA PRO A 78 11.588 -3.576 6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.991 -2.950 8.115 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.963 -3.539 6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.184 -0.705 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.065 -1.487 6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.946 0.150 5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.314 -1.213 4.626 1.00 0.00 H new ATOM 878 N ASN A 79 10.998 -3.206 9.195 1.00 0.00 N ATOM 879 CA ASN A 79 10.461 -2.957 10.529 1.00 0.00 C ATOM 880 C ASN A 79 9.258 -2.022 10.466 1.00 0.00 C ATOM 881 O ASN A 79 8.994 -1.267 11.403 1.00 0.00 O ATOM 882 CB ASN A 79 11.542 -2.357 11.431 1.00 0.00 C ATOM 883 CG ASN A 79 12.913 -2.946 11.161 1.00 0.00 C ATOM 884 OD1 ASN A 79 13.140 -4.139 11.363 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.835 -2.108 10.701 1.00 0.00 N ATOM 0 H ASN A 79 10.894 -4.168 8.871 1.00 0.00 H new ATOM 0 HA ASN A 79 10.135 -3.910 10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.578 -1.278 11.282 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.276 -2.526 12.474 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.776 -2.446 10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.602 -1.127 10.549 1.00 0.00 H new ATOM 892 N LYS A 80 8.531 -2.075 9.355 1.00 0.00 N ATOM 893 CA LYS A 80 7.354 -1.235 9.169 1.00 0.00 C ATOM 894 C LYS A 80 6.168 -2.060 8.681 1.00 0.00 C ATOM 895 O LYS A 80 6.230 -2.728 7.647 1.00 0.00 O ATOM 896 CB LYS A 80 7.655 -0.113 8.171 1.00 0.00 C ATOM 897 CG LYS A 80 8.543 0.982 8.737 1.00 0.00 C ATOM 898 CD LYS A 80 7.829 1.775 9.818 1.00 0.00 C ATOM 899 CE LYS A 80 8.714 2.881 10.374 1.00 0.00 C ATOM 900 NZ LYS A 80 9.025 3.911 9.345 1.00 0.00 N ATOM 0 H LYS A 80 8.737 -2.692 8.569 1.00 0.00 H new ATOM 0 HA LYS A 80 7.096 -0.796 10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.135 -0.540 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.715 0.328 7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.450 0.540 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.851 1.653 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.916 2.209 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.531 1.106 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.217 3.353 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.642 2.450 10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.452 4.741 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.691 3.518 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.149 4.195 8.862 1.00 0.00 H new ATOM 914 N PRO A 81 5.062 -2.014 9.436 1.00 0.00 N ATOM 915 CA PRO A 81 3.840 -2.749 9.099 1.00 0.00 C ATOM 916 C PRO A 81 3.141 -2.180 7.868 1.00 0.00 C ATOM 917 O PRO A 81 2.118 -2.701 7.427 1.00 0.00 O ATOM 918 CB PRO A 81 2.964 -2.572 10.341 1.00 0.00 C ATOM 919 CG PRO A 81 3.442 -1.308 10.965 1.00 0.00 C ATOM 920 CD PRO A 81 4.918 -1.238 10.680 1.00 0.00 C ATOM 0 HA PRO A 81 4.047 -3.790 8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.909 -2.508 10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.070 -3.415 11.024 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.922 -0.446 10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.251 -1.306 12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.254 -0.209 10.553 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.505 -1.667 11.492 1.00 0.00 H new ATOM 928 N TYR A 82 3.701 -1.108 7.320 1.00 0.00 N ATOM 929 CA TYR A 82 3.131 -0.466 6.141 1.00 0.00 C ATOM 930 C TYR A 82 4.173 -0.332 5.035 1.00 0.00 C ATOM 931 O TYR A 82 5.370 -0.222 5.304 1.00 0.00 O ATOM 932 CB TYR A 82 2.575 0.912 6.504 1.00 0.00 C ATOM 933 CG TYR A 82 3.620 1.864 7.042 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.537 2.473 6.193 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.692 2.153 8.399 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.493 3.342 6.681 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.645 3.022 8.895 1.00 0.00 C ATOM 938 CZ TYR A 82 5.544 3.614 8.032 1.00 0.00 C ATOM 939 OH TYR A 82 6.494 4.479 8.522 1.00 0.00 O ATOM 0 H TYR A 82 4.549 -0.665 7.673 1.00 0.00 H new ATOM 0 HA TYR A 82 2.319 -1.093 5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.114 1.353 5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.787 0.792 7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.501 2.263 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.991 1.690 9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.198 3.807 6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.686 3.237 9.953 1.00 0.00 H new ATOM 0 HH TYR A 82 6.392 4.561 9.493 1.00 0.00 H new ATOM 949 N SER A 83 3.709 -0.340 3.790 1.00 0.00 N ATOM 950 CA SER A 83 4.601 -0.223 2.642 1.00 0.00 C ATOM 951 C SER A 83 4.040 0.758 1.617 1.00 0.00 C ATOM 952 O SER A 83 2.909 1.229 1.745 1.00 0.00 O ATOM 953 CB SER A 83 4.813 -1.592 1.992 1.00 0.00 C ATOM 954 OG SER A 83 5.606 -2.429 2.814 1.00 0.00 O ATOM 0 H SER A 83 2.721 -0.426 3.550 1.00 0.00 H new ATOM 0 HA SER A 83 5.560 0.156 2.995 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.848 -2.065 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.295 -1.467 1.022 1.00 0.00 H new ATOM 0 HG SER A 83 5.817 -1.962 3.649 1.00 0.00 H new ATOM 960 N PHE A 84 4.838 1.060 0.598 1.00 0.00 N ATOM 961 CA PHE A 84 4.423 1.986 -0.450 1.00 0.00 C ATOM 962 C PHE A 84 4.710 1.406 -1.833 1.00 0.00 C ATOM 963 O PHE A 84 5.826 0.974 -2.116 1.00 0.00 O ATOM 964 CB PHE A 84 5.140 3.327 -0.288 1.00 0.00 C ATOM 965 CG PHE A 84 5.050 3.892 1.101 1.00 0.00 C ATOM 966 CD1 PHE A 84 6.006 3.581 2.053 1.00 0.00 C ATOM 967 CD2 PHE A 84 4.007 4.734 1.454 1.00 0.00 C ATOM 968 CE1 PHE A 84 5.925 4.099 3.332 1.00 0.00 C ATOM 969 CE2 PHE A 84 3.921 5.255 2.731 1.00 0.00 C ATOM 970 CZ PHE A 84 4.881 4.938 3.670 1.00 0.00 C ATOM 0 H PHE A 84 5.775 0.677 0.476 1.00 0.00 H new ATOM 0 HA PHE A 84 3.348 2.143 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.190 3.203 -0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.716 4.044 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 84 6.825 2.926 1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 84 3.253 4.986 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.677 3.848 4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 84 3.103 5.910 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.816 5.345 4.668 1.00 0.00 H new ATOM 980 N ALA A 85 3.692 1.401 -2.688 1.00 0.00 N ATOM 981 CA ALA A 85 3.834 0.877 -4.040 1.00 0.00 C ATOM 982 C ALA A 85 3.679 1.984 -5.077 1.00 0.00 C ATOM 983 O ALA A 85 2.990 2.977 -4.841 1.00 0.00 O ATOM 984 CB ALA A 85 2.817 -0.227 -4.288 1.00 0.00 C ATOM 0 H ALA A 85 2.761 1.754 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 85 4.837 0.461 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.935 -0.609 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.977 -1.036 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.810 0.172 -4.165 1.00 0.00 H new ATOM 990 N ARG A 86 4.325 1.808 -6.226 1.00 0.00 N ATOM 991 CA ARG A 86 4.260 2.793 -7.298 1.00 0.00 C ATOM 992 C ARG A 86 3.808 2.146 -8.604 1.00 0.00 C ATOM 993 O ARG A 86 4.518 1.321 -9.178 1.00 0.00 O ATOM 994 CB ARG A 86 5.624 3.458 -7.491 1.00 0.00 C ATOM 995 CG ARG A 86 5.538 4.888 -7.999 1.00 0.00 C ATOM 996 CD ARG A 86 6.755 5.700 -7.586 1.00 0.00 C ATOM 997 NE ARG A 86 7.844 5.586 -8.553 1.00 0.00 N ATOM 998 CZ ARG A 86 7.870 6.237 -9.711 1.00 0.00 C ATOM 999 NH1 ARG A 86 6.873 7.047 -10.042 1.00 0.00 N ATOM 1000 NH2 ARG A 86 8.895 6.081 -10.538 1.00 0.00 N ATOM 0 H ARG A 86 4.899 0.992 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 86 3.530 3.552 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.160 3.450 -6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.211 2.866 -8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.453 4.885 -9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.636 5.360 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.473 6.747 -7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.101 5.363 -6.609 1.00 0.00 H new ATOM 0 HE ARG A 86 8.627 4.973 -8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.084 7.171 -9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.895 7.546 -10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.664 5.461 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.914 6.581 -11.427 1.00 0.00 H new ATOM 1014 N TYR A 87 2.622 2.526 -9.066 1.00 0.00 N ATOM 1015 CA TYR A 87 2.073 1.981 -10.303 1.00 0.00 C ATOM 1016 C TYR A 87 2.598 2.744 -11.514 1.00 0.00 C ATOM 1017 O TYR A 87 3.355 3.706 -11.376 1.00 0.00 O ATOM 1018 CB TYR A 87 0.544 2.036 -10.274 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.084 0.958 -9.419 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.303 1.160 -8.062 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.458 -0.262 -9.969 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.875 0.179 -7.277 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.033 -1.248 -9.191 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.240 -1.024 -7.847 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.812 -2.005 -7.069 1.00 0.00 O ATOM 0 H TYR A 87 2.022 3.209 -8.603 1.00 0.00 H new ATOM 0 HA TYR A 87 2.391 0.942 -10.386 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.231 3.012 -9.902 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.166 1.947 -11.292 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.021 2.101 -7.613 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.297 -0.442 -11.022 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.036 0.352 -6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.319 -2.190 -9.634 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.010 -2.788 -7.624 1.00 0.00 H new ATOM 1035 N ARG A 88 2.191 2.310 -12.702 1.00 0.00 N ATOM 1036 CA ARG A 88 2.619 2.951 -13.939 1.00 0.00 C ATOM 1037 C ARG A 88 1.618 4.017 -14.373 1.00 0.00 C ATOM 1038 O ARG A 88 1.998 5.062 -14.904 1.00 0.00 O ATOM 1039 CB ARG A 88 2.784 1.909 -15.047 1.00 0.00 C ATOM 1040 CG ARG A 88 3.224 2.500 -16.377 1.00 0.00 C ATOM 1041 CD ARG A 88 4.739 2.537 -16.496 1.00 0.00 C ATOM 1042 NE ARG A 88 5.274 1.307 -17.074 1.00 0.00 N ATOM 1043 CZ ARG A 88 6.499 1.203 -17.575 1.00 0.00 C ATOM 1044 NH1 ARG A 88 7.313 2.249 -17.569 1.00 0.00 N ATOM 1045 NH2 ARG A 88 6.913 0.048 -18.084 1.00 0.00 N ATOM 0 H ARG A 88 1.565 1.516 -12.834 1.00 0.00 H new ATOM 0 HA ARG A 88 3.580 3.432 -13.756 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.515 1.166 -14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.838 1.386 -15.186 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.808 1.910 -17.194 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.825 3.509 -16.478 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.033 3.385 -17.114 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.176 2.694 -15.510 1.00 0.00 H new ATOM 0 HE ARG A 88 4.674 0.483 -17.094 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.999 3.137 -17.179 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.254 2.166 -17.955 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.290 -0.759 -18.090 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.854 -0.032 -18.469 1.00 0.00 H new ATOM 1059 N THR A 89 0.336 3.746 -14.147 1.00 0.00 N ATOM 1060 CA THR A 89 -0.719 4.681 -14.516 1.00 0.00 C ATOM 1061 C THR A 89 -1.749 4.816 -13.401 1.00 0.00 C ATOM 1062 O THR A 89 -2.192 3.820 -12.825 1.00 0.00 O ATOM 1063 CB THR A 89 -1.433 4.240 -15.808 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.879 2.886 -15.683 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.507 4.366 -17.009 1.00 0.00 C ATOM 0 H THR A 89 0.004 2.886 -13.710 1.00 0.00 H new ATOM 0 HA THR A 89 -0.241 5.646 -14.684 1.00 0.00 H new ATOM 0 HB THR A 89 -2.292 4.892 -15.963 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.858 2.867 -15.638 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.033 4.049 -17.909 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.193 5.404 -17.119 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.370 3.735 -16.860 1.00 0.00 H new ATOM 1073 N THR A 90 -2.130 6.054 -13.098 1.00 0.00 N ATOM 1074 CA THR A 90 -3.107 6.319 -12.051 1.00 0.00 C ATOM 1075 C THR A 90 -4.243 5.302 -12.089 1.00 0.00 C ATOM 1076 O THR A 90 -4.486 4.593 -11.114 1.00 0.00 O ATOM 1077 CB THR A 90 -3.698 7.736 -12.179 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.683 8.652 -12.607 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.281 8.200 -10.853 1.00 0.00 C ATOM 0 H THR A 90 -1.775 6.889 -13.564 1.00 0.00 H new ATOM 0 HA THR A 90 -2.581 6.237 -11.100 1.00 0.00 H new ATOM 0 HB THR A 90 -4.498 7.708 -12.919 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.066 9.550 -12.688 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.692 9.203 -10.967 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.072 7.516 -10.544 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.497 8.214 -10.096 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.936 5.238 -13.222 1.00 0.00 N ATOM 1088 CA GLU A 91 -6.046 4.308 -13.386 1.00 0.00 C ATOM 1089 C GLU A 91 -5.794 3.017 -12.611 1.00 0.00 C ATOM 1090 O GLU A 91 -6.642 2.568 -11.842 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.262 3.992 -14.867 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.662 5.202 -15.696 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.574 4.942 -17.187 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -5.444 4.856 -17.711 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.639 4.823 -17.831 1.00 0.00 O ATOM 0 H GLU A 91 -4.748 5.819 -14.039 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.944 4.781 -12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.345 3.568 -15.277 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.034 3.228 -14.958 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.681 5.492 -15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.018 6.043 -15.439 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.621 2.427 -12.822 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.258 1.188 -12.144 1.00 0.00 C ATOM 1104 C GLU A 92 -4.294 1.367 -10.629 1.00 0.00 C ATOM 1105 O GLU A 92 -5.049 0.689 -9.931 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.865 0.731 -12.582 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.820 0.193 -14.003 1.00 0.00 C ATOM 1108 CD GLU A 92 -4.118 -0.470 -14.417 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -5.034 0.250 -14.867 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -4.219 -1.708 -14.291 1.00 0.00 O ATOM 0 H GLU A 92 -3.907 2.786 -13.456 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.986 0.425 -12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.174 1.569 -12.498 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.514 -0.042 -11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.598 1.010 -14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.005 -0.526 -14.090 1.00 0.00 H new ATOM 1117 N SER A 93 -3.471 2.281 -10.127 1.00 0.00 N ATOM 1118 CA SER A 93 -3.405 2.545 -8.694 1.00 0.00 C ATOM 1119 C SER A 93 -4.799 2.538 -8.075 1.00 0.00 C ATOM 1120 O SER A 93 -5.047 1.854 -7.081 1.00 0.00 O ATOM 1121 CB SER A 93 -2.727 3.892 -8.433 1.00 0.00 C ATOM 1122 OG SER A 93 -3.193 4.474 -7.229 1.00 0.00 O ATOM 0 H SER A 93 -2.841 2.851 -10.691 1.00 0.00 H new ATOM 0 HA SER A 93 -2.816 1.753 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.647 3.754 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.921 4.568 -9.266 1.00 0.00 H new ATOM 0 HG SER A 93 -2.534 5.121 -6.902 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.708 3.303 -8.670 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.078 3.386 -8.179 1.00 0.00 C ATOM 1130 C LYS A 94 -7.738 2.011 -8.176 1.00 0.00 C ATOM 1131 O LYS A 94 -8.361 1.613 -7.191 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.893 4.353 -9.042 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.595 5.816 -8.764 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.791 6.670 -10.005 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.265 6.818 -10.353 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.459 7.275 -11.757 1.00 0.00 N ATOM 0 H LYS A 94 -5.520 3.875 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.049 3.758 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.695 4.144 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.954 4.169 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.246 6.176 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.570 5.918 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.354 7.655 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.261 6.220 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.770 5.863 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.730 7.531 -9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.476 7.364 -11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.999 8.198 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.038 6.582 -12.409 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.597 1.289 -9.282 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.179 -0.042 -9.406 1.00 0.00 C ATOM 1152 C ARG A 95 -7.762 -0.928 -8.236 1.00 0.00 C ATOM 1153 O ARG A 95 -8.583 -1.647 -7.667 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.753 -0.687 -10.726 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.118 -2.159 -10.830 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.128 -2.919 -11.698 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.752 -4.053 -12.375 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.467 -3.942 -13.489 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -8.648 -2.753 -14.048 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -9.003 -5.020 -14.046 1.00 0.00 N ATOM 0 H ARG A 95 -7.084 1.603 -10.106 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.264 0.060 -9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.217 -0.147 -11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.674 -0.580 -10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.143 -2.600 -9.833 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.120 -2.258 -11.247 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.703 -2.243 -12.440 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.303 -3.274 -11.081 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.632 -4.981 -11.970 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.238 -1.922 -13.623 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.197 -2.670 -14.903 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.866 -5.936 -13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.552 -4.933 -14.901 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.482 -0.873 -7.885 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.956 -1.669 -6.782 1.00 0.00 C ATOM 1176 C ALA A 96 -6.386 -1.093 -5.436 1.00 0.00 C ATOM 1177 O ALA A 96 -6.593 -1.832 -4.472 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.440 -1.749 -6.865 1.00 0.00 C ATOM 0 H ALA A 96 -5.789 -0.285 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.366 -2.676 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.061 -2.346 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.151 -2.213 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.019 -0.745 -6.811 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.518 0.226 -5.377 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.919 0.900 -4.149 1.00 0.00 C ATOM 1186 C TYR A 97 -8.335 0.501 -3.746 1.00 0.00 C ATOM 1187 O TYR A 97 -8.636 0.346 -2.562 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.836 2.418 -4.323 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.609 3.191 -3.279 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.084 3.399 -2.010 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.865 3.713 -3.563 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.789 4.105 -1.053 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.575 4.422 -2.613 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.033 4.614 -1.359 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.737 5.319 -0.410 1.00 0.00 O ATOM 0 H TYR A 97 -6.353 0.851 -6.166 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.235 0.594 -3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.790 2.722 -4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.212 2.683 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.109 3.003 -1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.294 3.562 -4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.367 4.257 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.549 4.824 -2.851 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.594 5.609 -0.787 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.201 0.335 -4.740 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.586 -0.049 -4.492 1.00 0.00 C ATOM 1207 C VAL A 98 -10.742 -1.565 -4.480 1.00 0.00 C ATOM 1208 O VAL A 98 -11.673 -2.100 -3.875 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.532 0.546 -5.554 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.984 0.318 -5.162 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.250 2.027 -5.748 1.00 0.00 C ATOM 0 H VAL A 98 -8.968 0.460 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.855 0.348 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.352 0.039 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.638 0.744 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.175 -0.752 -5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.182 0.798 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.927 2.431 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.401 2.553 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.220 2.161 -6.077 1.00 0.00 H new ATOM 1221 N THR A 99 -9.826 -2.255 -5.152 1.00 0.00 N ATOM 1222 CA THR A 99 -9.862 -3.711 -5.220 1.00 0.00 C ATOM 1223 C THR A 99 -9.069 -4.333 -4.077 1.00 0.00 C ATOM 1224 O THR A 99 -9.630 -5.020 -3.221 1.00 0.00 O ATOM 1225 CB THR A 99 -9.302 -4.224 -6.559 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.124 -3.773 -7.640 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.233 -5.744 -6.568 1.00 0.00 C ATOM 0 H THR A 99 -9.049 -1.829 -5.657 1.00 0.00 H new ATOM 0 HA THR A 99 -10.908 -4.007 -5.136 1.00 0.00 H new ATOM 0 HB THR A 99 -8.294 -3.828 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.735 -2.963 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.834 -6.084 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.583 -6.083 -5.762 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.233 -6.154 -6.425 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.764 -4.090 -4.067 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.893 -4.627 -3.027 1.00 0.00 C ATOM 1237 C LEU A 100 -7.396 -4.239 -1.641 1.00 0.00 C ATOM 1238 O LEU A 100 -7.600 -5.095 -0.782 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.461 -4.123 -3.223 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.863 -4.327 -4.615 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.402 -3.903 -4.634 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.005 -5.777 -5.050 1.00 0.00 C ATOM 0 H LEU A 100 -7.285 -3.524 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.903 -5.714 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.437 -3.058 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.819 -4.622 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.411 -3.703 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.992 -4.055 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.326 -2.849 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.840 -4.501 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.574 -5.903 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.483 -6.422 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.061 -6.047 -5.076 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.596 -2.941 -1.432 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.078 -2.438 -0.150 1.00 0.00 C ATOM 1256 C ASN A 101 -9.248 -3.276 0.357 1.00 0.00 C ATOM 1257 O ASN A 101 -10.260 -3.425 -0.326 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.502 -0.974 -0.280 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.838 -0.350 1.061 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.345 -1.019 1.961 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.557 0.941 1.199 1.00 0.00 N ATOM 0 H ASN A 101 -7.432 -2.219 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.263 -2.510 0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.700 -0.406 -0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.369 -0.906 -0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.762 1.416 2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.137 1.457 0.426 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.101 -3.821 1.562 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.153 -4.635 2.141 1.00 0.00 C ATOM 1270 C GLY A 102 -10.025 -6.099 1.767 1.00 0.00 C ATOM 1271 O GLY A 102 -10.458 -6.978 2.512 1.00 0.00 O ATOM 0 H GLY A 102 -8.272 -3.713 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.129 -4.537 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.122 -4.262 1.809 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.429 -6.362 0.608 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.246 -7.729 0.135 1.00 0.00 C ATOM 1277 C LYS A 103 -8.421 -8.542 1.128 1.00 0.00 C ATOM 1278 O LYS A 103 -7.604 -7.991 1.867 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.561 -7.728 -1.234 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.420 -9.113 -1.843 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.334 -9.146 -2.905 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.464 -10.370 -3.797 1.00 0.00 C ATOM 1283 NZ LYS A 103 -6.144 -10.816 -4.323 1.00 0.00 N ATOM 0 H LYS A 103 -9.065 -5.646 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.229 -8.191 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.131 -7.096 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.572 -7.281 -1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.186 -9.834 -1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.370 -9.417 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.391 -8.243 -3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.355 -9.146 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.924 -11.182 -3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.129 -10.143 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.255 -11.726 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.778 -10.106 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.475 -10.927 -3.534 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.638 -9.853 1.137 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.914 -10.741 2.040 1.00 0.00 C ATOM 1299 C GLU A 104 -6.792 -11.467 1.303 1.00 0.00 C ATOM 1300 O GLU A 104 -7.006 -12.042 0.234 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.869 -11.758 2.667 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.489 -11.285 3.971 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.410 -12.321 4.588 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -9.900 -13.241 5.262 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -11.638 -12.212 4.397 1.00 0.00 O ATOM 0 H GLU A 104 -9.309 -10.324 0.530 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.474 -10.133 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.664 -11.983 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.330 -12.688 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.697 -11.041 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.049 -10.367 3.791 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.595 -11.436 1.880 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.440 -12.093 1.280 1.00 0.00 C ATOM 1314 C VAL A 105 -3.762 -13.029 2.273 1.00 0.00 C ATOM 1315 O VAL A 105 -3.520 -12.663 3.423 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.410 -11.064 0.776 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.978 -10.263 -0.385 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.978 -10.144 1.909 1.00 0.00 C ATOM 0 H VAL A 105 -5.400 -10.963 2.762 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.809 -12.673 0.434 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.531 -11.601 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.236 -9.542 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.232 -10.938 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.874 -9.735 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.250 -9.424 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.847 -9.614 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.527 -10.735 2.706 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.458 -14.242 1.821 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.806 -15.232 2.670 1.00 0.00 C ATOM 1330 C VAL A 106 -1.348 -14.865 2.923 1.00 0.00 C ATOM 1331 O VAL A 106 -0.536 -14.828 1.998 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.869 -16.638 2.042 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.884 -17.573 2.729 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.284 -17.191 2.116 1.00 0.00 C ATOM 0 H VAL A 106 -3.653 -14.562 0.872 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.345 -15.241 3.618 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.589 -16.562 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.942 -18.561 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.873 -17.181 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.131 -17.647 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.310 -18.184 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.596 -17.255 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.961 -16.531 1.574 1.00 0.00 H new ATOM 1344 N ASP A 107 -1.021 -14.596 4.182 1.00 0.00 N ATOM 1345 CA ASP A 107 0.340 -14.233 4.558 1.00 0.00 C ATOM 1346 C ASP A 107 1.247 -15.459 4.567 1.00 0.00 C ATOM 1347 O ASP A 107 0.800 -16.575 4.303 1.00 0.00 O ATOM 1348 CB ASP A 107 0.351 -13.564 5.934 1.00 0.00 C ATOM 1349 CG ASP A 107 -0.245 -14.449 7.012 1.00 0.00 C ATOM 1350 OD1 ASP A 107 0.147 -15.634 7.091 1.00 0.00 O ATOM 1351 OD2 ASP A 107 -1.100 -13.959 7.777 1.00 0.00 O ATOM 0 H ASP A 107 -1.680 -14.623 4.960 1.00 0.00 H new ATOM 0 HA ASP A 107 0.719 -13.529 3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.376 -13.309 6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.208 -12.629 5.885 1.00 0.00 H new ATOM 1356 N ASP A 108 2.522 -15.243 4.869 1.00 0.00 N ATOM 1357 CA ASP A 108 3.492 -16.332 4.913 1.00 0.00 C ATOM 1358 C ASP A 108 3.029 -17.435 5.858 1.00 0.00 C ATOM 1359 O ASP A 108 3.104 -18.620 5.530 1.00 0.00 O ATOM 1360 CB ASP A 108 4.860 -15.806 5.352 1.00 0.00 C ATOM 1361 CG ASP A 108 5.999 -16.684 4.871 1.00 0.00 C ATOM 1362 OD1 ASP A 108 5.998 -17.057 3.680 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.891 -16.997 5.686 1.00 0.00 O ATOM 0 H ASP A 108 2.909 -14.325 5.087 1.00 0.00 H new ATOM 0 HA ASP A 108 3.577 -16.751 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 108 4.997 -14.795 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.889 -15.741 6.440 1.00 0.00 H new ATOM 1368 N LEU A 109 2.552 -17.039 7.033 1.00 0.00 N ATOM 1369 CA LEU A 109 2.077 -17.994 8.028 1.00 0.00 C ATOM 1370 C LEU A 109 0.908 -18.810 7.485 1.00 0.00 C ATOM 1371 O LEU A 109 0.703 -19.958 7.878 1.00 0.00 O ATOM 1372 CB LEU A 109 1.656 -17.265 9.305 1.00 0.00 C ATOM 1373 CG LEU A 109 2.679 -16.288 9.888 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.083 -15.532 11.065 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.941 -17.026 10.309 1.00 0.00 C ATOM 0 H LEU A 109 2.484 -16.063 7.320 1.00 0.00 H new ATOM 0 HA LEU A 109 2.895 -18.676 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.736 -16.718 9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.421 -18.011 10.065 1.00 0.00 H new ATOM 0 HG LEU A 109 2.945 -15.566 9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.825 -14.842 11.467 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.209 -14.972 10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.788 -16.239 11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.658 -16.316 10.721 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.692 -17.770 11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.379 -17.521 9.442 1.00 0.00 H new ATOM 1387 N GLY A 110 0.143 -18.209 6.579 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.994 -18.894 5.996 1.00 0.00 C ATOM 1389 C GLY A 110 -2.318 -18.342 6.487 1.00 0.00 C ATOM 1390 O GLY A 110 -3.358 -18.984 6.341 1.00 0.00 O ATOM 0 H GLY A 110 0.291 -17.259 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.948 -18.808 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.936 -19.956 6.235 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.279 -17.150 7.074 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.485 -16.513 7.591 1.00 0.00 C ATOM 1396 C GLN A 111 -3.923 -15.364 6.689 1.00 0.00 C ATOM 1397 O GLN A 111 -3.096 -14.593 6.202 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.247 -16.001 9.013 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.900 -17.100 10.005 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.345 -16.773 11.416 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.275 -17.384 11.944 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.682 -15.803 12.037 1.00 0.00 N ATOM 0 H GLN A 111 -1.426 -16.606 7.203 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.280 -17.258 7.610 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.439 -15.270 8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.141 -15.481 9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.368 -18.032 9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.823 -17.265 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.918 -15.323 11.562 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.937 -15.539 12.988 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.229 -15.254 6.472 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.779 -14.197 5.631 1.00 0.00 C ATOM 1413 C LYS A 112 -5.854 -12.879 6.392 1.00 0.00 C ATOM 1414 O LYS A 112 -6.558 -12.770 7.396 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.171 -14.589 5.129 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.167 -15.795 4.206 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.365 -15.786 3.271 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.294 -16.922 2.262 1.00 0.00 C ATOM 1419 NZ LYS A 112 -9.616 -17.186 1.630 1.00 0.00 N ATOM 0 H LYS A 112 -5.927 -15.884 6.867 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.115 -14.065 4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.811 -14.800 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.611 -13.741 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.248 -15.803 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.175 -16.709 4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.283 -15.872 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.410 -14.833 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.565 -16.677 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.941 -17.826 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.525 -17.967 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.306 -17.445 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.941 -16.331 1.135 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.126 -11.878 5.908 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.113 -10.565 6.542 1.00 0.00 C ATOM 1435 C ILE A 113 -5.764 -9.516 5.648 1.00 0.00 C ATOM 1436 O ILE A 113 -5.641 -9.564 4.424 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.679 -10.118 6.881 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.863 -11.300 7.407 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.703 -8.988 7.899 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.454 -10.929 7.812 1.00 0.00 C ATOM 0 H ILE A 113 -4.537 -11.951 5.078 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.684 -10.655 7.466 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.204 -9.751 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.377 -11.733 8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.820 -12.072 6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.682 -8.683 8.128 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.251 -8.140 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.193 -9.330 8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.934 -11.816 8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.923 -10.524 6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.488 -10.179 8.603 1.00 0.00 H new ATOM 1452 N THR A 114 -6.456 -8.566 6.268 1.00 0.00 N ATOM 1453 CA THR A 114 -7.127 -7.504 5.529 1.00 0.00 C ATOM 1454 C THR A 114 -6.225 -6.283 5.382 1.00 0.00 C ATOM 1455 O THR A 114 -6.015 -5.535 6.337 1.00 0.00 O ATOM 1456 CB THR A 114 -8.436 -7.079 6.220 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.212 -8.236 6.553 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.250 -6.161 5.320 1.00 0.00 C ATOM 0 H THR A 114 -6.567 -8.510 7.280 1.00 0.00 H new ATOM 0 HA THR A 114 -7.359 -7.904 4.542 1.00 0.00 H new ATOM 0 HB THR A 114 -8.180 -6.537 7.131 1.00 0.00 H new ATOM 0 HG1 THR A 114 -10.042 -7.958 6.994 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.170 -5.874 5.829 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.669 -5.268 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.495 -6.682 4.395 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.695 -6.087 4.180 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.815 -4.955 3.907 1.00 0.00 C ATOM 1468 C LEU A 115 -5.612 -3.752 3.414 1.00 0.00 C ATOM 1469 O LEU A 115 -6.523 -3.891 2.597 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.761 -5.343 2.868 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.158 -6.741 3.013 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -2.122 -6.990 1.928 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.539 -6.913 4.393 1.00 0.00 C ATOM 0 H LEU A 115 -5.859 -6.697 3.379 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.317 -4.681 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.210 -5.264 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.952 -4.614 2.911 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.956 -7.475 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.704 -7.989 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.594 -6.908 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.325 -6.251 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.115 -7.913 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.752 -6.172 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.306 -6.777 5.155 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.264 -2.573 3.915 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.947 -1.344 3.525 1.00 0.00 C ATOM 1487 C TYR A 116 -5.008 -0.419 2.758 1.00 0.00 C ATOM 1488 O TYR A 116 -3.989 0.028 3.285 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.493 -0.627 4.761 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.777 -1.223 5.291 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.756 -2.325 6.137 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.010 -0.686 4.946 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.926 -2.875 6.624 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.186 -1.229 5.428 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.139 -2.323 6.266 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.307 -2.867 6.749 1.00 0.00 O ATOM 0 H TYR A 116 -4.513 -2.441 4.592 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.777 -1.610 2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.739 -0.653 5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.663 0.421 4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.808 -2.759 6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.051 0.171 4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.892 -3.732 7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.137 -0.799 5.150 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.071 -2.361 6.403 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.361 -0.132 1.509 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.552 0.742 0.667 1.00 0.00 C ATOM 1508 C LEU A 117 -5.077 2.173 0.705 1.00 0.00 C ATOM 1509 O LEU A 117 -6.258 2.418 0.462 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.541 0.228 -0.773 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.599 -0.941 -1.063 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.207 -2.249 -0.580 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.281 -1.014 -2.549 1.00 0.00 C ATOM 0 H LEU A 117 -6.202 -0.492 1.058 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.533 0.738 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.554 -0.074 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.274 1.055 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.668 -0.776 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.523 -3.070 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.382 -2.194 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.153 -2.422 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.609 -1.852 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.204 -1.155 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.802 -0.087 -2.864 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.190 3.115 1.010 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.564 4.523 1.077 1.00 0.00 C ATOM 1527 C ASN A 118 -3.772 5.346 0.066 1.00 0.00 C ATOM 1528 O ASN A 118 -2.565 5.163 -0.090 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.330 5.068 2.488 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.535 4.874 3.390 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.778 3.777 3.891 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.295 5.943 3.598 1.00 0.00 N ATOM 0 H ASN A 118 -3.208 2.929 1.214 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.624 4.603 0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.466 4.570 2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.090 6.130 2.429 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.119 5.874 4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.054 6.833 3.161 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.461 6.252 -0.621 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.822 7.103 -1.619 1.00 0.00 C ATOM 1541 C PHE A 119 -2.771 8.003 -0.974 1.00 0.00 C ATOM 1542 O PHE A 119 -3.070 8.767 -0.057 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.870 7.957 -2.336 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.684 7.190 -3.339 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.073 6.566 -4.415 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.060 7.093 -3.205 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.820 5.859 -5.339 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.811 6.386 -4.126 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.190 5.770 -5.194 1.00 0.00 C ATOM 0 H PHE A 119 -5.461 6.416 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.327 6.460 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.539 8.395 -1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.370 8.783 -2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.002 6.633 -4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.551 7.575 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.332 5.377 -6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.882 6.316 -4.010 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.775 5.219 -5.915 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.539 7.903 -1.460 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.442 8.708 -0.933 1.00 0.00 C ATOM 1561 C VAL A 120 0.335 9.382 -2.058 1.00 0.00 C ATOM 1562 O VAL A 120 0.541 8.798 -3.121 1.00 0.00 O ATOM 1563 CB VAL A 120 0.528 7.853 -0.095 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.040 7.607 1.294 1.00 0.00 C ATOM 1565 CG2 VAL A 120 0.824 6.538 -0.800 1.00 0.00 C ATOM 0 H VAL A 120 -1.274 7.273 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.887 9.471 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 120 1.465 8.399 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.659 7.002 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.195 8.561 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.991 7.082 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.511 5.947 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.104 5.984 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.278 6.739 -1.770 1.00 0.00 H new ATOM 1575 N GLU A 121 0.762 10.618 -1.816 1.00 0.00 N ATOM 1576 CA GLU A 121 1.516 11.373 -2.809 1.00 0.00 C ATOM 1577 C GLU A 121 2.991 11.457 -2.426 1.00 0.00 C ATOM 1578 O GLU A 121 3.873 11.330 -3.274 1.00 0.00 O ATOM 1579 CB GLU A 121 0.935 12.781 -2.960 1.00 0.00 C ATOM 1580 CG GLU A 121 0.923 13.575 -1.666 1.00 0.00 C ATOM 1581 CD GLU A 121 0.425 14.996 -1.857 1.00 0.00 C ATOM 1582 OE1 GLU A 121 -0.623 15.172 -2.514 1.00 0.00 O ATOM 1583 OE2 GLU A 121 1.082 15.929 -1.353 1.00 0.00 O ATOM 0 H GLU A 121 0.598 11.117 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 121 1.436 10.850 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.514 13.326 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.084 12.706 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.290 13.067 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.930 13.600 -1.250 1.00 0.00 H new ATOM 1590 N LYS A 122 3.250 11.674 -1.140 1.00 0.00 N ATOM 1591 CA LYS A 122 4.616 11.774 -0.641 1.00 0.00 C ATOM 1592 C LYS A 122 5.057 10.464 0.004 1.00 0.00 C ATOM 1593 O LYS A 122 4.437 9.990 0.956 1.00 0.00 O ATOM 1594 CB LYS A 122 4.728 12.917 0.370 1.00 0.00 C ATOM 1595 CG LYS A 122 4.725 14.296 -0.267 1.00 0.00 C ATOM 1596 CD LYS A 122 4.621 15.392 0.780 1.00 0.00 C ATOM 1597 CE LYS A 122 5.099 16.730 0.234 1.00 0.00 C ATOM 1598 NZ LYS A 122 6.569 16.737 -0.007 1.00 0.00 N ATOM 0 H LYS A 122 2.531 11.784 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 122 5.272 11.980 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.899 12.850 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.646 12.794 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.637 14.432 -0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.889 14.375 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.587 15.482 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.215 15.121 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.577 16.950 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.842 17.522 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.910 17.719 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.050 16.235 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.775 16.263 -0.909 1.00 0.00 H new ATOM 1612 N VAL A 123 6.133 9.886 -0.519 1.00 0.00 N ATOM 1613 CA VAL A 123 6.659 8.632 0.008 1.00 0.00 C ATOM 1614 C VAL A 123 8.184 8.634 0.011 1.00 0.00 C ATOM 1615 O VAL A 123 8.816 8.833 -1.026 1.00 0.00 O ATOM 1616 CB VAL A 123 6.161 7.426 -0.811 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.786 6.137 -0.298 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.642 7.345 -0.768 1.00 0.00 C ATOM 0 H VAL A 123 6.658 10.266 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 123 6.296 8.542 1.032 1.00 0.00 H new ATOM 0 HB VAL A 123 6.467 7.562 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.422 5.296 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.871 6.199 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.513 5.991 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.307 6.488 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.313 7.232 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.217 8.257 -1.187 1.00 0.00 H new ATOM 1628 N GLN A 124 8.768 8.412 1.184 1.00 0.00 N ATOM 1629 CA GLN A 124 10.219 8.389 1.322 1.00 0.00 C ATOM 1630 C GLN A 124 10.832 7.298 0.450 1.00 0.00 C ATOM 1631 O GLN A 124 11.219 6.239 0.942 1.00 0.00 O ATOM 1632 CB GLN A 124 10.610 8.167 2.784 1.00 0.00 C ATOM 1633 CG GLN A 124 9.959 6.944 3.410 1.00 0.00 C ATOM 1634 CD GLN A 124 9.945 7.001 4.924 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.822 6.446 5.586 1.00 0.00 O ATOM 1636 NE2 GLN A 124 8.946 7.673 5.482 1.00 0.00 N ATOM 0 H GLN A 124 8.259 8.246 2.052 1.00 0.00 H new ATOM 0 HA GLN A 124 10.605 9.353 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.693 8.065 2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.337 9.050 3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.936 6.854 3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.492 6.049 3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.240 8.118 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.884 7.745 6.498 1.00 0.00 H new ATOM 1645 N TRP A 125 10.916 7.565 -0.850 1.00 0.00 N ATOM 1646 CA TRP A 125 11.481 6.605 -1.792 1.00 0.00 C ATOM 1647 C TRP A 125 12.983 6.453 -1.578 1.00 0.00 C ATOM 1648 O TRP A 125 13.729 7.431 -1.630 1.00 0.00 O ATOM 1649 CB TRP A 125 11.200 7.046 -3.229 1.00 0.00 C ATOM 1650 CG TRP A 125 9.740 7.083 -3.565 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.963 8.196 -3.721 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.882 5.958 -3.783 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.673 7.829 -4.022 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.598 6.463 -4.068 1.00 0.00 C ATOM 1655 CE3 TRP A 125 9.073 4.574 -3.768 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.514 5.631 -4.333 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.996 3.749 -4.031 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.730 4.279 -4.312 1.00 0.00 C ATOM 0 H TRP A 125 10.600 8.437 -1.274 1.00 0.00 H new ATOM 0 HA TRP A 125 11.008 5.639 -1.617 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.627 8.036 -3.387 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.706 6.367 -3.915 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.311 9.214 -3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.897 8.471 -4.185 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.046 4.156 -3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.537 6.038 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 8.133 2.678 -4.020 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.908 3.608 -4.516 1.00 0.00 H new