USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 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 25:sc= 0.134 USER MOD Set 1.2: A 118 ASN : amide:sc= 0 K(o=0.13,f=-1.8!) USER MOD Set 2.1: A 80 LYS NZ :NH3+ -179:sc= 0.295 (180deg=0) USER MOD Set 2.2: A 82 TYR OH : rot 130:sc= 0.267 USER MOD Set 3.1: A 76 MET CE :methyl -118:sc= -0.0666 (180deg=-1.04) USER MOD Set 3.2: A 83 SER OG : rot 0:sc= -0.774 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 17:sc= 0.00753 USER MOD Single : A 42 THR OG1 : rot 60:sc= -1.11 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 90:sc= -2.56 USER MOD Single : A 49 ASN : amide:sc= 0.0955 K(o=0.096,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= -5.88! C(o=-5.9!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.86 X(o=-1.9,f=-1.9) USER MOD Single : A 67 LYS NZ :NH3+ -115:sc= -0.736 (180deg=-2.75!) USER MOD Single : A 68 CYS SG : rot -150:sc= -2.2! USER MOD Single : A 79 ASN : amide:sc= -0.0772 X(o=-0.077,f=-0.16) USER MOD Single : A 87 TYR OH : rot 165:sc= -1.31 USER MOD Single : A 89 THR OG1 : rot -150:sc= -0.753 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 93 SER OG : rot -119:sc= -4.14! USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= -0.272 (180deg=-0.363) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 90:sc= 1.04 USER MOD Single : A 101 ASN : amide:sc= -1.01 K(o=-1,f=-5.2!) USER MOD Single : A 103 LYS NZ :NH3+ 136:sc= 0.0396 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 147:sc= -0.903 (180deg=-3.3!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -4.42! C(o=-4.4!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.567 8.778 9.024 1.00 0.00 N ATOM 231 CA ILE A 35 1.503 8.742 7.567 1.00 0.00 C ATOM 232 C ILE A 35 0.430 9.688 7.041 1.00 0.00 C ATOM 233 O ILE A 35 -0.709 9.669 7.505 1.00 0.00 O ATOM 234 CB ILE A 35 1.216 7.319 7.052 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.328 6.361 7.486 1.00 0.00 C ATOM 236 CG2 ILE A 35 1.074 7.324 5.538 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.937 4.903 7.396 1.00 0.00 C ATOM 0 HA ILE A 35 2.478 9.063 7.199 1.00 0.00 H new ATOM 0 HB ILE A 35 0.277 6.974 7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.207 6.532 6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.614 6.590 8.513 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.871 6.312 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.251 7.978 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.998 7.686 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.772 4.282 7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.077 4.717 8.039 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.680 4.658 6.365 1.00 0.00 H new ATOM 249 N GLU A 36 0.802 10.513 6.067 1.00 0.00 N ATOM 250 CA GLU A 36 -0.130 11.466 5.477 1.00 0.00 C ATOM 251 C GLU A 36 -0.689 10.935 4.158 1.00 0.00 C ATOM 252 O GLU A 36 0.049 10.743 3.191 1.00 0.00 O ATOM 253 CB GLU A 36 0.560 12.813 5.246 1.00 0.00 C ATOM 254 CG GLU A 36 1.040 13.477 6.524 1.00 0.00 C ATOM 255 CD GLU A 36 2.323 12.865 7.053 1.00 0.00 C ATOM 256 OE1 GLU A 36 3.192 12.507 6.230 1.00 0.00 O ATOM 257 OE2 GLU A 36 2.459 12.745 8.288 1.00 0.00 O ATOM 0 H GLU A 36 1.741 10.540 5.670 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.957 11.605 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.411 12.666 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.132 13.483 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.198 14.540 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.263 13.397 7.284 1.00 0.00 H new ATOM 264 N THR A 37 -1.997 10.701 4.128 1.00 0.00 N ATOM 265 CA THR A 37 -2.655 10.191 2.932 1.00 0.00 C ATOM 266 C THR A 37 -3.758 11.135 2.468 1.00 0.00 C ATOM 267 O THR A 37 -4.581 11.584 3.264 1.00 0.00 O ATOM 268 CB THR A 37 -3.256 8.794 3.174 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.336 8.881 4.110 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.200 7.833 3.697 1.00 0.00 C ATOM 0 H THR A 37 -2.622 10.857 4.919 1.00 0.00 H new ATOM 0 HA THR A 37 -1.892 10.119 2.157 1.00 0.00 H new ATOM 0 HB THR A 37 -3.630 8.414 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.712 9.786 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.649 6.853 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.394 7.746 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.799 8.210 4.638 1.00 0.00 H new ATOM 278 N VAL A 38 -3.770 11.432 1.171 1.00 0.00 N ATOM 279 CA VAL A 38 -4.775 12.320 0.600 1.00 0.00 C ATOM 280 C VAL A 38 -6.071 11.572 0.313 1.00 0.00 C ATOM 281 O VAL A 38 -6.161 10.362 0.521 1.00 0.00 O ATOM 282 CB VAL A 38 -4.272 12.971 -0.702 1.00 0.00 C ATOM 283 CG1 VAL A 38 -3.027 13.802 -0.438 1.00 0.00 C ATOM 284 CG2 VAL A 38 -4.001 11.910 -1.758 1.00 0.00 C ATOM 0 H VAL A 38 -3.095 11.070 0.497 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.965 13.099 1.338 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.049 13.636 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.687 14.254 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.259 14.587 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.241 13.162 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.646 12.388 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.242 11.218 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.920 11.363 -1.968 1.00 0.00 H new ATOM 294 N SER A 39 -7.075 12.300 -0.165 1.00 0.00 N ATOM 295 CA SER A 39 -8.370 11.706 -0.477 1.00 0.00 C ATOM 296 C SER A 39 -8.458 11.342 -1.956 1.00 0.00 C ATOM 297 O SER A 39 -8.969 10.282 -2.316 1.00 0.00 O ATOM 298 CB SER A 39 -9.499 12.671 -0.109 1.00 0.00 C ATOM 299 OG SER A 39 -10.708 11.971 0.135 1.00 0.00 O ATOM 0 H SER A 39 -7.017 13.302 -0.345 1.00 0.00 H new ATOM 0 HA SER A 39 -8.475 10.794 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.220 13.241 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.647 13.388 -0.916 1.00 0.00 H new ATOM 0 HG SER A 39 -11.414 12.609 0.370 1.00 0.00 H new ATOM 305 N TYR A 40 -7.956 12.229 -2.808 1.00 0.00 N ATOM 306 CA TYR A 40 -7.980 12.004 -4.248 1.00 0.00 C ATOM 307 C TYR A 40 -6.976 10.926 -4.648 1.00 0.00 C ATOM 308 O TYR A 40 -6.020 10.653 -3.923 1.00 0.00 O ATOM 309 CB TYR A 40 -7.672 13.303 -4.994 1.00 0.00 C ATOM 310 CG TYR A 40 -6.373 13.951 -4.572 1.00 0.00 C ATOM 311 CD1 TYR A 40 -6.320 14.790 -3.466 1.00 0.00 C ATOM 312 CD2 TYR A 40 -5.200 13.724 -5.280 1.00 0.00 C ATOM 313 CE1 TYR A 40 -5.134 15.385 -3.078 1.00 0.00 C ATOM 314 CE2 TYR A 40 -4.010 14.314 -4.898 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.983 15.143 -3.796 1.00 0.00 C ATOM 316 OH TYR A 40 -2.800 15.733 -3.413 1.00 0.00 O ATOM 0 H TYR A 40 -7.527 13.111 -2.526 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.979 11.664 -4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.635 13.098 -6.064 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.488 14.007 -4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.220 14.981 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.218 13.076 -6.144 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.110 16.036 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.106 14.127 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.880 16.058 -2.492 1.00 0.00 H new ATOM 326 N ALA A 41 -7.202 10.317 -5.807 1.00 0.00 N ATOM 327 CA ALA A 41 -6.318 9.272 -6.305 1.00 0.00 C ATOM 328 C ALA A 41 -4.878 9.766 -6.396 1.00 0.00 C ATOM 329 O ALA A 41 -4.631 10.957 -6.587 1.00 0.00 O ATOM 330 CB ALA A 41 -6.796 8.779 -7.664 1.00 0.00 C ATOM 0 H ALA A 41 -7.990 10.530 -6.419 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.345 8.442 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.126 7.998 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.805 8.377 -7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.800 9.608 -8.371 1.00 0.00 H new ATOM 336 N THR A 42 -3.930 8.845 -6.255 1.00 0.00 N ATOM 337 CA THR A 42 -2.516 9.187 -6.319 1.00 0.00 C ATOM 338 C THR A 42 -1.693 8.027 -6.866 1.00 0.00 C ATOM 339 O THR A 42 -1.903 6.874 -6.490 1.00 0.00 O ATOM 340 CB THR A 42 -1.970 9.581 -4.934 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.467 8.681 -3.938 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.368 11.006 -4.580 1.00 0.00 C ATOM 0 H THR A 42 -4.117 7.855 -6.095 1.00 0.00 H new ATOM 0 HA THR A 42 -2.428 10.040 -6.992 1.00 0.00 H new ATOM 0 HB THR A 42 -0.882 9.522 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.181 7.768 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.971 11.261 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.964 11.692 -5.324 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.455 11.087 -4.564 1.00 0.00 H new ATOM 350 N GLN A 43 -0.755 8.340 -7.755 1.00 0.00 N ATOM 351 CA GLN A 43 0.101 7.321 -8.353 1.00 0.00 C ATOM 352 C GLN A 43 0.632 6.364 -7.290 1.00 0.00 C ATOM 353 O GLN A 43 0.645 5.149 -7.486 1.00 0.00 O ATOM 354 CB GLN A 43 1.266 7.975 -9.096 1.00 0.00 C ATOM 355 CG GLN A 43 0.946 8.326 -10.540 1.00 0.00 C ATOM 356 CD GLN A 43 2.125 8.944 -11.266 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.329 10.157 -11.223 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.910 8.110 -11.938 1.00 0.00 N ATOM 0 H GLN A 43 -0.569 9.290 -8.077 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.498 6.750 -9.063 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.560 8.881 -8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.123 7.302 -9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.631 7.426 -11.067 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.106 9.020 -10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.704 7.111 -11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.719 8.468 -12.445 1.00 0.00 H new ATOM 367 N SER A 44 1.071 6.922 -6.166 1.00 0.00 N ATOM 368 CA SER A 44 1.609 6.118 -5.075 1.00 0.00 C ATOM 369 C SER A 44 0.490 5.619 -4.165 1.00 0.00 C ATOM 370 O SER A 44 -0.589 6.212 -4.105 1.00 0.00 O ATOM 371 CB SER A 44 2.616 6.933 -4.261 1.00 0.00 C ATOM 372 OG SER A 44 2.967 6.261 -3.064 1.00 0.00 O ATOM 0 H SER A 44 1.065 7.926 -5.987 1.00 0.00 H new ATOM 0 HA SER A 44 2.115 5.255 -5.508 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.511 7.112 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.192 7.908 -4.023 1.00 0.00 H new ATOM 0 HG SER A 44 3.742 5.685 -3.228 1.00 0.00 H new ATOM 378 N LEU A 45 0.752 4.524 -3.460 1.00 0.00 N ATOM 379 CA LEU A 45 -0.231 3.943 -2.554 1.00 0.00 C ATOM 380 C LEU A 45 0.450 3.301 -1.349 1.00 0.00 C ATOM 381 O LEU A 45 1.512 2.692 -1.475 1.00 0.00 O ATOM 382 CB LEU A 45 -1.079 2.904 -3.288 1.00 0.00 C ATOM 383 CG LEU A 45 -2.011 3.444 -4.373 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.426 2.330 -5.322 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.235 4.098 -3.749 1.00 0.00 C ATOM 0 H LEU A 45 1.638 4.020 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.878 4.745 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.410 2.174 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.681 2.370 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.472 4.200 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.089 2.733 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.540 1.906 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.946 1.552 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.887 4.476 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.776 3.363 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.921 4.924 -3.110 1.00 0.00 H new ATOM 397 N VAL A 46 -0.169 3.441 -0.181 1.00 0.00 N ATOM 398 CA VAL A 46 0.376 2.873 1.046 1.00 0.00 C ATOM 399 C VAL A 46 -0.402 1.633 1.470 1.00 0.00 C ATOM 400 O VAL A 46 -1.609 1.695 1.709 1.00 0.00 O ATOM 401 CB VAL A 46 0.356 3.896 2.197 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.073 4.173 2.641 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.200 3.403 3.362 1.00 0.00 C ATOM 0 H VAL A 46 -1.048 3.943 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 46 1.409 2.596 0.834 1.00 0.00 H new ATOM 0 HB VAL A 46 0.786 4.831 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.067 4.898 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.643 4.573 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.534 3.246 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.175 4.138 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.802 2.455 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.229 3.262 3.032 1.00 0.00 H new ATOM 413 N VAL A 47 0.296 0.505 1.561 1.00 0.00 N ATOM 414 CA VAL A 47 -0.330 -0.752 1.958 1.00 0.00 C ATOM 415 C VAL A 47 -0.335 -0.908 3.475 1.00 0.00 C ATOM 416 O VAL A 47 0.705 -1.153 4.086 1.00 0.00 O ATOM 417 CB VAL A 47 0.389 -1.959 1.330 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.517 -3.182 1.335 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.847 -1.631 -0.082 1.00 0.00 C ATOM 0 H VAL A 47 1.295 0.436 1.365 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.358 -0.723 1.596 1.00 0.00 H new ATOM 0 HB VAL A 47 1.271 -2.187 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.008 -4.026 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.790 -3.428 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.418 -2.969 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.353 -2.496 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.018 -1.376 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.534 -0.785 -0.054 1.00 0.00 H new ATOM 429 N ALA A 48 -1.511 -0.765 4.075 1.00 0.00 N ATOM 430 CA ALA A 48 -1.651 -0.894 5.520 1.00 0.00 C ATOM 431 C ALA A 48 -1.750 -2.359 5.935 1.00 0.00 C ATOM 432 O ALA A 48 -1.929 -3.241 5.096 1.00 0.00 O ATOM 433 CB ALA A 48 -2.873 -0.125 6.003 1.00 0.00 C ATOM 0 H ALA A 48 -2.381 -0.560 3.583 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.760 -0.471 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.965 -0.230 7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.763 0.929 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.767 -0.523 5.522 1.00 0.00 H new ATOM 439 N ASN A 49 -1.629 -2.611 7.235 1.00 0.00 N ATOM 440 CA ASN A 49 -1.702 -3.969 7.760 1.00 0.00 C ATOM 441 C ASN A 49 -0.816 -4.914 6.952 1.00 0.00 C ATOM 442 O ASN A 49 -1.060 -6.118 6.900 1.00 0.00 O ATOM 443 CB ASN A 49 -3.149 -4.468 7.740 1.00 0.00 C ATOM 444 CG ASN A 49 -4.001 -3.812 8.810 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.514 -3.000 9.595 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.281 -4.164 8.844 1.00 0.00 N ATOM 0 H ASN A 49 -1.480 -1.892 7.943 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.343 -3.954 8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.585 -4.271 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.160 -5.549 7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.904 -3.756 9.542 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.642 -4.842 8.173 1.00 0.00 H new ATOM 453 N GLY A 50 0.214 -4.355 6.323 1.00 0.00 N ATOM 454 CA GLY A 50 1.122 -5.162 5.527 1.00 0.00 C ATOM 455 C GLY A 50 2.574 -4.938 5.900 1.00 0.00 C ATOM 456 O GLY A 50 2.939 -5.007 7.072 1.00 0.00 O ATOM 0 H GLY A 50 0.436 -3.360 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.875 -6.216 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.981 -4.929 4.472 1.00 0.00 H new ATOM 460 N GLY A 51 3.406 -4.671 4.897 1.00 0.00 N ATOM 461 CA GLY A 51 4.818 -4.443 5.145 1.00 0.00 C ATOM 462 C GLY A 51 5.518 -5.676 5.681 1.00 0.00 C ATOM 463 O GLY A 51 4.897 -6.521 6.326 1.00 0.00 O ATOM 0 H GLY A 51 3.127 -4.609 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.300 -4.128 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.931 -3.626 5.857 1.00 0.00 H new ATOM 467 N LEU A 52 6.815 -5.780 5.413 1.00 0.00 N ATOM 468 CA LEU A 52 7.602 -6.920 5.871 1.00 0.00 C ATOM 469 C LEU A 52 7.239 -7.290 7.305 1.00 0.00 C ATOM 470 O LEU A 52 6.960 -8.450 7.607 1.00 0.00 O ATOM 471 CB LEU A 52 9.096 -6.605 5.777 1.00 0.00 C ATOM 472 CG LEU A 52 9.616 -6.232 4.388 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.937 -5.484 4.495 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.775 -7.474 3.525 1.00 0.00 C ATOM 0 H LEU A 52 7.344 -5.089 4.881 1.00 0.00 H new ATOM 0 HA LEU A 52 7.375 -7.769 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.318 -5.784 6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.653 -7.472 6.131 1.00 0.00 H new ATOM 0 HG LEU A 52 8.886 -5.576 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.291 -5.227 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.793 -4.572 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.674 -6.116 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.146 -7.188 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.483 -8.156 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.810 -7.970 3.419 1.00 0.00 H new ATOM 486 N GLY A 53 7.244 -6.296 8.189 1.00 0.00 N ATOM 487 CA GLY A 53 6.912 -6.537 9.580 1.00 0.00 C ATOM 488 C GLY A 53 5.737 -7.480 9.741 1.00 0.00 C ATOM 489 O GLY A 53 5.701 -8.286 10.669 1.00 0.00 O ATOM 0 H GLY A 53 7.472 -5.327 7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.780 -6.953 10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.682 -5.588 10.065 1.00 0.00 H new ATOM 493 N ASN A 54 4.771 -7.381 8.832 1.00 0.00 N ATOM 494 CA ASN A 54 3.587 -8.231 8.879 1.00 0.00 C ATOM 495 C ASN A 54 3.847 -9.564 8.183 1.00 0.00 C ATOM 496 O ASN A 54 2.930 -10.188 7.653 1.00 0.00 O ATOM 497 CB ASN A 54 2.399 -7.523 8.223 1.00 0.00 C ATOM 498 CG ASN A 54 1.925 -6.327 9.024 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.725 -5.619 9.637 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.618 -6.096 9.025 1.00 0.00 N ATOM 0 H ASN A 54 4.786 -6.721 8.055 1.00 0.00 H new ATOM 0 HA ASN A 54 3.352 -8.427 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.681 -7.197 7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.577 -8.229 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.240 -5.306 9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.009 -6.709 8.503 1.00 0.00 H new ATOM 507 N GLY A 55 5.106 -9.993 8.189 1.00 0.00 N ATOM 508 CA GLY A 55 5.464 -11.248 7.556 1.00 0.00 C ATOM 509 C GLY A 55 5.030 -11.312 6.105 1.00 0.00 C ATOM 510 O GLY A 55 4.833 -12.395 5.554 1.00 0.00 O ATOM 0 H GLY A 55 5.883 -9.494 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.544 -11.386 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.007 -12.071 8.105 1.00 0.00 H new ATOM 514 N VAL A 56 4.879 -10.146 5.483 1.00 0.00 N ATOM 515 CA VAL A 56 4.465 -10.072 4.088 1.00 0.00 C ATOM 516 C VAL A 56 5.657 -9.813 3.173 1.00 0.00 C ATOM 517 O VAL A 56 6.181 -8.700 3.122 1.00 0.00 O ATOM 518 CB VAL A 56 3.415 -8.967 3.870 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.077 -8.833 2.394 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.165 -9.251 4.690 1.00 0.00 C ATOM 0 H VAL A 56 5.038 -9.240 5.924 1.00 0.00 H new ATOM 0 HA VAL A 56 4.022 -11.037 3.839 1.00 0.00 H new ATOM 0 HB VAL A 56 3.835 -8.019 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.333 -8.047 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.978 -8.578 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.677 -9.777 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.433 -8.460 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.740 -10.208 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.425 -9.289 5.748 1.00 0.00 H new ATOM 530 N SER A 57 6.079 -10.846 2.452 1.00 0.00 N ATOM 531 CA SER A 57 7.212 -10.731 1.541 1.00 0.00 C ATOM 532 C SER A 57 6.810 -10.004 0.262 1.00 0.00 C ATOM 533 O SER A 57 5.628 -9.929 -0.076 1.00 0.00 O ATOM 534 CB SER A 57 7.764 -12.117 1.202 1.00 0.00 C ATOM 535 OG SER A 57 8.193 -12.795 2.370 1.00 0.00 O ATOM 0 H SER A 57 5.653 -11.773 2.481 1.00 0.00 H new ATOM 0 HA SER A 57 7.989 -10.150 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.996 -12.704 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.598 -12.020 0.507 1.00 0.00 H new ATOM 0 HG SER A 57 8.540 -13.679 2.127 1.00 0.00 H new ATOM 541 N ARG A 58 7.800 -9.470 -0.444 1.00 0.00 N ATOM 542 CA ARG A 58 7.550 -8.748 -1.686 1.00 0.00 C ATOM 543 C ARG A 58 6.963 -9.675 -2.746 1.00 0.00 C ATOM 544 O ARG A 58 6.072 -9.286 -3.500 1.00 0.00 O ATOM 545 CB ARG A 58 8.844 -8.118 -2.205 1.00 0.00 C ATOM 546 CG ARG A 58 8.800 -7.765 -3.682 1.00 0.00 C ATOM 547 CD ARG A 58 10.014 -6.947 -4.096 1.00 0.00 C ATOM 548 NE ARG A 58 10.138 -6.848 -5.547 1.00 0.00 N ATOM 549 CZ ARG A 58 11.262 -6.506 -6.168 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.353 -6.232 -5.465 1.00 0.00 N ATOM 551 NH2 ARG A 58 11.296 -6.437 -7.492 1.00 0.00 N ATOM 0 H ARG A 58 8.783 -9.523 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 58 6.828 -7.959 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.055 -7.216 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.670 -8.808 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.756 -8.679 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.891 -7.203 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.940 -5.947 -3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.915 -7.402 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 58 9.316 -7.053 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.330 -6.284 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.215 -5.970 -5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.459 -6.647 -8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.160 -6.174 -7.967 1.00 0.00 H new ATOM 565 N ASN A 59 7.468 -10.903 -2.795 1.00 0.00 N ATOM 566 CA ASN A 59 6.994 -11.886 -3.763 1.00 0.00 C ATOM 567 C ASN A 59 5.615 -12.412 -3.374 1.00 0.00 C ATOM 568 O ASN A 59 5.012 -13.196 -4.105 1.00 0.00 O ATOM 569 CB ASN A 59 7.984 -13.048 -3.867 1.00 0.00 C ATOM 570 CG ASN A 59 9.123 -12.752 -4.825 1.00 0.00 C ATOM 571 OD1 ASN A 59 10.202 -12.327 -4.410 1.00 0.00 O ATOM 572 ND2 ASN A 59 8.888 -12.976 -6.112 1.00 0.00 N ATOM 0 H ASN A 59 8.205 -11.241 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 59 6.916 -11.395 -4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.391 -13.265 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.457 -13.943 -4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.617 -12.796 -6.802 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.979 -13.329 -6.411 1.00 0.00 H new ATOM 579 N GLN A 60 5.125 -11.973 -2.219 1.00 0.00 N ATOM 580 CA GLN A 60 3.819 -12.401 -1.733 1.00 0.00 C ATOM 581 C GLN A 60 2.805 -11.264 -1.826 1.00 0.00 C ATOM 582 O GLN A 60 1.597 -11.488 -1.751 1.00 0.00 O ATOM 583 CB GLN A 60 3.923 -12.889 -0.288 1.00 0.00 C ATOM 584 CG GLN A 60 2.580 -12.995 0.417 1.00 0.00 C ATOM 585 CD GLN A 60 1.660 -14.012 -0.229 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.104 -14.871 -0.991 1.00 0.00 O ATOM 587 NE2 GLN A 60 0.370 -13.921 0.073 1.00 0.00 N ATOM 0 H GLN A 60 5.612 -11.322 -1.603 1.00 0.00 H new ATOM 0 HA GLN A 60 3.477 -13.223 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.408 -13.865 -0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.565 -12.208 0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.742 -13.268 1.460 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.095 -12.019 0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.045 -13.193 0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.296 -14.579 -0.332 1.00 0.00 H new ATOM 596 N LEU A 61 3.306 -10.044 -1.990 1.00 0.00 N ATOM 597 CA LEU A 61 2.444 -8.871 -2.093 1.00 0.00 C ATOM 598 C LEU A 61 2.446 -8.318 -3.515 1.00 0.00 C ATOM 599 O LEU A 61 1.406 -7.914 -4.036 1.00 0.00 O ATOM 600 CB LEU A 61 2.902 -7.790 -1.113 1.00 0.00 C ATOM 601 CG LEU A 61 1.936 -6.624 -0.901 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.672 -7.097 -0.200 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.607 -5.514 -0.104 1.00 0.00 C ATOM 0 H LEU A 61 4.304 -9.841 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 61 1.428 -9.174 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.091 -8.259 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.853 -7.389 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 61 1.657 -6.226 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.003 -6.253 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.181 -7.856 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.931 -7.521 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.905 -4.692 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.915 -5.899 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.482 -5.155 -0.646 1.00 0.00 H new ATOM 615 N LEU A 62 3.619 -8.304 -4.138 1.00 0.00 N ATOM 616 CA LEU A 62 3.755 -7.804 -5.501 1.00 0.00 C ATOM 617 C LEU A 62 2.801 -8.527 -6.446 1.00 0.00 C ATOM 618 O LEU A 62 2.152 -7.919 -7.297 1.00 0.00 O ATOM 619 CB LEU A 62 5.196 -7.972 -5.985 1.00 0.00 C ATOM 620 CG LEU A 62 5.399 -7.974 -7.501 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.180 -6.581 -8.070 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.790 -8.483 -7.853 1.00 0.00 C ATOM 0 H LEU A 62 4.490 -8.633 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 62 3.500 -6.744 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.797 -7.169 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.586 -8.908 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 62 4.665 -8.646 -7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.329 -6.601 -9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.164 -6.254 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.890 -5.888 -7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.916 -8.477 -8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.540 -7.837 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.911 -9.500 -7.479 1.00 0.00 H new ATOM 634 N PRO A 63 2.712 -9.857 -6.292 1.00 0.00 N ATOM 635 CA PRO A 63 1.837 -10.692 -7.121 1.00 0.00 C ATOM 636 C PRO A 63 0.426 -10.123 -7.230 1.00 0.00 C ATOM 637 O PRO A 63 -0.210 -10.212 -8.281 1.00 0.00 O ATOM 638 CB PRO A 63 1.818 -12.030 -6.380 1.00 0.00 C ATOM 639 CG PRO A 63 3.103 -12.065 -5.627 1.00 0.00 C ATOM 640 CD PRO A 63 3.456 -10.647 -5.299 1.00 0.00 C ATOM 0 HA PRO A 63 2.195 -10.763 -8.148 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.963 -12.098 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.744 -12.866 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.001 -12.657 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.888 -12.530 -6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.163 -10.388 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.530 -10.475 -5.375 1.00 0.00 H new ATOM 648 N VAL A 64 -0.058 -9.538 -6.139 1.00 0.00 N ATOM 649 CA VAL A 64 -1.392 -8.953 -6.113 1.00 0.00 C ATOM 650 C VAL A 64 -1.393 -7.556 -6.723 1.00 0.00 C ATOM 651 O VAL A 64 -2.424 -7.072 -7.192 1.00 0.00 O ATOM 652 CB VAL A 64 -1.943 -8.874 -4.676 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.393 -8.413 -4.684 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.806 -10.218 -3.979 1.00 0.00 C ATOM 0 H VAL A 64 0.455 -9.457 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.034 -9.605 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.357 -8.141 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.765 -8.363 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.459 -7.426 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.996 -9.119 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.200 -10.144 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.365 -10.973 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.754 -10.502 -3.940 1.00 0.00 H new ATOM 664 N LEU A 65 -0.231 -6.912 -6.715 1.00 0.00 N ATOM 665 CA LEU A 65 -0.096 -5.569 -7.268 1.00 0.00 C ATOM 666 C LEU A 65 0.160 -5.624 -8.771 1.00 0.00 C ATOM 667 O LEU A 65 0.065 -4.611 -9.462 1.00 0.00 O ATOM 668 CB LEU A 65 1.042 -4.822 -6.572 1.00 0.00 C ATOM 669 CG LEU A 65 0.977 -4.771 -5.044 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.346 -4.459 -4.461 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.046 -3.739 -4.589 1.00 0.00 C ATOM 0 H LEU A 65 0.632 -7.298 -6.331 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.031 -5.035 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.985 -5.287 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.063 -3.800 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 65 0.665 -5.750 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.280 -4.427 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.053 -5.233 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.688 -3.493 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.080 -3.716 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.237 -2.756 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.029 -4.006 -4.977 1.00 0.00 H new ATOM 683 N GLU A 66 0.485 -6.812 -9.269 1.00 0.00 N ATOM 684 CA GLU A 66 0.753 -6.998 -10.689 1.00 0.00 C ATOM 685 C GLU A 66 -0.516 -7.401 -11.435 1.00 0.00 C ATOM 686 O GLU A 66 -0.788 -6.909 -12.530 1.00 0.00 O ATOM 687 CB GLU A 66 1.836 -8.060 -10.893 1.00 0.00 C ATOM 688 CG GLU A 66 3.237 -7.572 -10.566 1.00 0.00 C ATOM 689 CD GLU A 66 4.308 -8.306 -11.349 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.137 -8.473 -12.574 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.317 -8.713 -10.735 1.00 0.00 O ATOM 0 H GLU A 66 0.569 -7.661 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 66 1.105 -6.048 -11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.607 -8.925 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.811 -8.398 -11.929 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.305 -6.505 -10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.422 -7.698 -9.499 1.00 0.00 H new ATOM 698 N LYS A 67 -1.289 -8.298 -10.833 1.00 0.00 N ATOM 699 CA LYS A 67 -2.530 -8.767 -11.437 1.00 0.00 C ATOM 700 C LYS A 67 -3.506 -7.613 -11.644 1.00 0.00 C ATOM 701 O LYS A 67 -4.260 -7.592 -12.618 1.00 0.00 O ATOM 702 CB LYS A 67 -3.175 -9.841 -10.559 1.00 0.00 C ATOM 703 CG LYS A 67 -3.240 -9.467 -9.088 1.00 0.00 C ATOM 704 CD LYS A 67 -4.055 -10.473 -8.292 1.00 0.00 C ATOM 705 CE LYS A 67 -5.546 -10.303 -8.540 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.008 -11.098 -9.711 1.00 0.00 N ATOM 0 H LYS A 67 -1.078 -8.715 -9.926 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.290 -9.196 -12.410 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.185 -10.036 -10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.614 -10.770 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.230 -9.412 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.681 -8.476 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.753 -11.484 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.846 -10.353 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.099 -10.610 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.769 -9.249 -8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.334 -10.455 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.222 -11.677 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.791 -11.718 -9.422 1.00 0.00 H new ATOM 720 N CYS A 68 -3.484 -6.654 -10.725 1.00 0.00 N ATOM 721 CA CYS A 68 -4.366 -5.496 -10.807 1.00 0.00 C ATOM 722 C CYS A 68 -3.831 -4.474 -11.806 1.00 0.00 C ATOM 723 O CYS A 68 -4.546 -4.041 -12.709 1.00 0.00 O ATOM 724 CB CYS A 68 -4.521 -4.847 -9.430 1.00 0.00 C ATOM 725 SG CYS A 68 -5.844 -5.559 -8.424 1.00 0.00 S ATOM 0 H CYS A 68 -2.865 -6.656 -9.914 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.342 -5.838 -11.151 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.579 -4.938 -8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.712 -3.782 -9.561 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.327 -4.647 -7.634 1.00 0.00 H new ATOM 731 N GLY A 69 -2.569 -4.094 -11.637 1.00 0.00 N ATOM 732 CA GLY A 69 -1.960 -3.125 -12.529 1.00 0.00 C ATOM 733 C GLY A 69 -0.468 -3.339 -12.687 1.00 0.00 C ATOM 734 O GLY A 69 0.070 -4.357 -12.249 1.00 0.00 O ATOM 0 H GLY A 69 -1.957 -4.440 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.438 -3.185 -13.507 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.141 -2.120 -12.147 1.00 0.00 H new ATOM 738 N LEU A 70 0.203 -2.379 -13.314 1.00 0.00 N ATOM 739 CA LEU A 70 1.644 -2.467 -13.529 1.00 0.00 C ATOM 740 C LEU A 70 2.408 -1.865 -12.354 1.00 0.00 C ATOM 741 O LEU A 70 2.168 -0.722 -11.964 1.00 0.00 O ATOM 742 CB LEU A 70 2.030 -1.753 -14.824 1.00 0.00 C ATOM 743 CG LEU A 70 1.716 -2.498 -16.122 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.817 -1.559 -17.315 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.651 -3.686 -16.295 1.00 0.00 C ATOM 0 H LEU A 70 -0.227 -1.531 -13.682 1.00 0.00 H new ATOM 0 HA LEU A 70 1.911 -3.521 -13.609 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.521 -0.790 -14.850 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.100 -1.547 -14.797 1.00 0.00 H new ATOM 0 HG LEU A 70 0.694 -2.871 -16.066 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.590 -2.107 -18.230 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.106 -0.742 -17.196 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.827 -1.155 -17.375 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.413 -4.204 -17.224 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.682 -3.335 -16.329 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.528 -4.371 -15.456 1.00 0.00 H new ATOM 757 N VAL A 71 3.332 -2.640 -11.795 1.00 0.00 N ATOM 758 CA VAL A 71 4.135 -2.182 -10.668 1.00 0.00 C ATOM 759 C VAL A 71 5.482 -1.644 -11.135 1.00 0.00 C ATOM 760 O VAL A 71 6.371 -2.407 -11.511 1.00 0.00 O ATOM 761 CB VAL A 71 4.373 -3.315 -9.652 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.410 -2.899 -8.621 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.067 -3.708 -8.977 1.00 0.00 C ATOM 0 H VAL A 71 3.543 -3.589 -12.105 1.00 0.00 H new ATOM 0 HA VAL A 71 3.575 -1.381 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 71 4.756 -4.184 -10.187 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.565 -3.712 -7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.351 -2.671 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.059 -2.015 -8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.254 -4.510 -8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.653 -2.845 -8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.357 -4.051 -9.730 1.00 0.00 H new ATOM 773 N ASP A 72 5.625 -0.323 -11.109 1.00 0.00 N ATOM 774 CA ASP A 72 6.865 0.320 -11.529 1.00 0.00 C ATOM 775 C ASP A 72 7.908 0.265 -10.417 1.00 0.00 C ATOM 776 O ASP A 72 9.053 -0.125 -10.646 1.00 0.00 O ATOM 777 CB ASP A 72 6.602 1.773 -11.927 1.00 0.00 C ATOM 778 CG ASP A 72 7.637 2.303 -12.899 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.845 2.136 -12.628 1.00 0.00 O ATOM 780 OD2 ASP A 72 7.241 2.887 -13.929 1.00 0.00 O ATOM 0 H ASP A 72 4.898 0.323 -10.802 1.00 0.00 H new ATOM 0 HA ASP A 72 7.252 -0.220 -12.393 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.612 1.850 -12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.595 2.396 -11.033 1.00 0.00 H new ATOM 785 N ALA A 73 7.505 0.659 -9.214 1.00 0.00 N ATOM 786 CA ALA A 73 8.404 0.654 -8.067 1.00 0.00 C ATOM 787 C ALA A 73 7.646 0.371 -6.775 1.00 0.00 C ATOM 788 O ALA A 73 6.690 1.071 -6.439 1.00 0.00 O ATOM 789 CB ALA A 73 9.141 1.982 -7.969 1.00 0.00 C ATOM 0 H ALA A 73 6.561 0.986 -9.008 1.00 0.00 H new ATOM 0 HA ALA A 73 9.132 -0.144 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.809 1.965 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.723 2.143 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.420 2.791 -7.852 1.00 0.00 H new ATOM 795 N LEU A 74 8.076 -0.659 -6.056 1.00 0.00 N ATOM 796 CA LEU A 74 7.437 -1.037 -4.800 1.00 0.00 C ATOM 797 C LEU A 74 8.395 -0.863 -3.627 1.00 0.00 C ATOM 798 O LEU A 74 9.320 -1.657 -3.443 1.00 0.00 O ATOM 799 CB LEU A 74 6.952 -2.485 -4.868 1.00 0.00 C ATOM 800 CG LEU A 74 6.606 -3.140 -3.529 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.339 -2.532 -2.949 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.450 -4.645 -3.696 1.00 0.00 C ATOM 0 H LEU A 74 8.865 -1.248 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 74 6.581 -0.381 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.070 -2.522 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.723 -3.083 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 74 7.424 -2.955 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.109 -3.010 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.487 -1.464 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.512 -2.686 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.204 -5.094 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.651 -4.851 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.384 -5.069 -4.066 1.00 0.00 H new ATOM 814 N LEU A 75 8.170 0.179 -2.834 1.00 0.00 N ATOM 815 CA LEU A 75 9.013 0.457 -1.677 1.00 0.00 C ATOM 816 C LEU A 75 8.519 -0.303 -0.449 1.00 0.00 C ATOM 817 O LEU A 75 7.365 -0.167 -0.045 1.00 0.00 O ATOM 818 CB LEU A 75 9.035 1.958 -1.385 1.00 0.00 C ATOM 819 CG LEU A 75 9.855 2.394 -0.170 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.343 2.347 -0.485 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.446 3.790 0.276 1.00 0.00 C ATOM 0 H LEU A 75 7.410 0.846 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 75 10.025 0.123 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.423 2.473 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.008 2.296 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 75 9.656 1.700 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.910 2.661 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.626 1.330 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.560 3.017 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.040 4.084 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.616 4.496 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.389 3.792 0.543 1.00 0.00 H new ATOM 833 N MET A 76 9.402 -1.103 0.139 1.00 0.00 N ATOM 834 CA MET A 76 9.057 -1.883 1.322 1.00 0.00 C ATOM 835 C MET A 76 10.021 -1.589 2.468 1.00 0.00 C ATOM 836 O MET A 76 11.113 -2.152 2.550 1.00 0.00 O ATOM 837 CB MET A 76 9.072 -3.377 0.998 1.00 0.00 C ATOM 838 CG MET A 76 7.861 -3.839 0.204 1.00 0.00 C ATOM 839 SD MET A 76 7.685 -5.634 0.188 1.00 0.00 S ATOM 840 CE MET A 76 6.638 -5.884 1.620 1.00 0.00 C ATOM 0 H MET A 76 10.361 -1.228 -0.184 1.00 0.00 H new ATOM 0 HA MET A 76 8.052 -1.597 1.633 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.976 -3.609 0.435 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.123 -3.942 1.929 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.961 -3.393 0.628 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.943 -3.477 -0.821 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.168 -6.487 2.357 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.383 -4.919 2.057 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.726 -6.398 1.318 1.00 0.00 H new ATOM 850 N PRO A 77 9.611 -0.687 3.372 1.00 0.00 N ATOM 851 CA PRO A 77 10.425 -0.299 4.527 1.00 0.00 C ATOM 852 C PRO A 77 10.544 -1.419 5.554 1.00 0.00 C ATOM 853 O PRO A 77 9.561 -2.061 5.926 1.00 0.00 O ATOM 854 CB PRO A 77 9.659 0.888 5.117 1.00 0.00 C ATOM 855 CG PRO A 77 8.248 0.682 4.684 1.00 0.00 C ATOM 856 CD PRO A 77 8.321 0.023 3.335 1.00 0.00 C ATOM 0 HA PRO A 77 11.451 -0.064 4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.740 0.911 6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.052 1.835 4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.709 0.056 5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.715 1.631 4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.489 -0.663 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.288 0.755 2.528 1.00 0.00 H new ATOM 864 N PRO A 78 11.775 -1.661 6.028 1.00 0.00 N ATOM 865 CA PRO A 78 12.052 -2.705 7.020 1.00 0.00 C ATOM 866 C PRO A 78 11.486 -2.362 8.393 1.00 0.00 C ATOM 867 O PRO A 78 11.540 -1.213 8.829 1.00 0.00 O ATOM 868 CB PRO A 78 13.581 -2.752 7.068 1.00 0.00 C ATOM 869 CG PRO A 78 14.016 -1.395 6.632 1.00 0.00 C ATOM 870 CD PRO A 78 12.993 -0.934 5.630 1.00 0.00 C ATOM 0 HA PRO A 78 11.592 -3.656 6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.939 -2.979 8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.974 -3.525 6.408 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.068 -0.711 7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.011 -1.428 6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.848 0.146 5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.291 -1.177 4.610 1.00 0.00 H new ATOM 878 N ASN A 79 10.942 -3.368 9.072 1.00 0.00 N ATOM 879 CA ASN A 79 10.365 -3.173 10.397 1.00 0.00 C ATOM 880 C ASN A 79 9.196 -2.194 10.342 1.00 0.00 C ATOM 881 O ASN A 79 9.016 -1.373 11.242 1.00 0.00 O ATOM 882 CB ASN A 79 11.430 -2.659 11.369 1.00 0.00 C ATOM 883 CG ASN A 79 12.764 -3.356 11.186 1.00 0.00 C ATOM 884 OD1 ASN A 79 12.825 -4.578 11.041 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.843 -2.581 11.193 1.00 0.00 N ATOM 0 H ASN A 79 10.889 -4.326 8.726 1.00 0.00 H new ATOM 0 HA ASN A 79 9.994 -4.135 10.750 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.561 -1.586 11.226 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.084 -2.804 12.392 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.768 -2.994 11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.746 -1.573 11.316 1.00 0.00 H new ATOM 892 N LYS A 80 8.402 -2.288 9.281 1.00 0.00 N ATOM 893 CA LYS A 80 7.248 -1.414 9.109 1.00 0.00 C ATOM 894 C LYS A 80 6.043 -2.199 8.601 1.00 0.00 C ATOM 895 O LYS A 80 6.086 -2.841 7.553 1.00 0.00 O ATOM 896 CB LYS A 80 7.580 -0.282 8.134 1.00 0.00 C ATOM 897 CG LYS A 80 8.440 0.812 8.742 1.00 0.00 C ATOM 898 CD LYS A 80 7.672 1.611 9.783 1.00 0.00 C ATOM 899 CE LYS A 80 8.556 2.653 10.449 1.00 0.00 C ATOM 900 NZ LYS A 80 7.753 3.725 11.102 1.00 0.00 N ATOM 0 H LYS A 80 8.537 -2.961 8.527 1.00 0.00 H new ATOM 0 HA LYS A 80 6.999 -0.987 10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.095 -0.699 7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.651 0.157 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.324 0.369 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.791 1.480 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.821 2.102 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.271 0.936 10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.190 2.170 11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.218 3.097 9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.392 4.425 11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.154 4.192 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.152 3.307 11.841 1.00 0.00 H new ATOM 914 N PRO A 81 4.938 -2.144 9.362 1.00 0.00 N ATOM 915 CA PRO A 81 3.698 -2.842 9.007 1.00 0.00 C ATOM 916 C PRO A 81 3.013 -2.225 7.793 1.00 0.00 C ATOM 917 O PRO A 81 1.944 -2.675 7.377 1.00 0.00 O ATOM 918 CB PRO A 81 2.829 -2.676 10.255 1.00 0.00 C ATOM 919 CG PRO A 81 3.339 -1.439 10.910 1.00 0.00 C ATOM 920 CD PRO A 81 4.814 -1.396 10.624 1.00 0.00 C ATOM 0 HA PRO A 81 3.879 -3.881 8.732 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.775 -2.580 9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.916 -3.539 10.916 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.839 -0.554 10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.150 -1.460 11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.174 -0.372 10.521 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.392 -1.859 11.424 1.00 0.00 H new ATOM 928 N TYR A 82 3.633 -1.195 7.229 1.00 0.00 N ATOM 929 CA TYR A 82 3.081 -0.516 6.063 1.00 0.00 C ATOM 930 C TYR A 82 4.139 -0.349 4.977 1.00 0.00 C ATOM 931 O TYR A 82 5.326 -0.203 5.269 1.00 0.00 O ATOM 932 CB TYR A 82 2.522 0.851 6.461 1.00 0.00 C ATOM 933 CG TYR A 82 3.572 1.806 6.983 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.436 2.462 6.115 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.701 2.052 8.344 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.397 3.335 6.587 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.659 2.923 8.826 1.00 0.00 C ATOM 938 CZ TYR A 82 5.505 3.562 7.943 1.00 0.00 C ATOM 939 OH TYR A 82 6.461 4.430 8.418 1.00 0.00 O ATOM 0 H TYR A 82 4.518 -0.812 7.560 1.00 0.00 H new ATOM 0 HA TYR A 82 2.273 -1.130 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.032 1.300 5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.757 0.713 7.225 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.355 2.286 5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.040 1.553 9.038 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.060 3.837 5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.745 3.103 9.887 1.00 0.00 H new ATOM 0 HH TYR A 82 6.045 5.070 9.033 1.00 0.00 H new ATOM 949 N SER A 83 3.699 -0.370 3.723 1.00 0.00 N ATOM 950 CA SER A 83 4.607 -0.224 2.592 1.00 0.00 C ATOM 951 C SER A 83 4.096 0.832 1.617 1.00 0.00 C ATOM 952 O SER A 83 3.047 1.438 1.835 1.00 0.00 O ATOM 953 CB SER A 83 4.775 -1.563 1.870 1.00 0.00 C ATOM 954 OG SER A 83 5.503 -2.482 2.665 1.00 0.00 O ATOM 0 H SER A 83 2.719 -0.487 3.465 1.00 0.00 H new ATOM 0 HA SER A 83 5.575 0.099 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.795 -1.978 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.292 -1.407 0.923 1.00 0.00 H new ATOM 0 HG SER A 83 5.747 -2.058 3.514 1.00 0.00 H new ATOM 960 N PHE A 84 4.845 1.047 0.541 1.00 0.00 N ATOM 961 CA PHE A 84 4.470 2.030 -0.468 1.00 0.00 C ATOM 962 C PHE A 84 4.703 1.484 -1.873 1.00 0.00 C ATOM 963 O PHE A 84 5.824 1.124 -2.234 1.00 0.00 O ATOM 964 CB PHE A 84 5.266 3.322 -0.274 1.00 0.00 C ATOM 965 CG PHE A 84 5.113 3.920 1.096 1.00 0.00 C ATOM 966 CD1 PHE A 84 3.960 4.605 1.443 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.123 3.797 2.037 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.816 5.155 2.703 1.00 0.00 C ATOM 969 CE2 PHE A 84 5.985 4.344 3.298 1.00 0.00 C ATOM 970 CZ PHE A 84 4.830 5.026 3.631 1.00 0.00 C ATOM 0 H PHE A 84 5.716 0.553 0.345 1.00 0.00 H new ATOM 0 HA PHE A 84 3.408 2.244 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.321 3.120 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.946 4.052 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.164 4.711 0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.029 3.267 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.911 5.685 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.779 4.239 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.721 5.457 4.615 1.00 0.00 H new ATOM 980 N ALA A 85 3.634 1.423 -2.663 1.00 0.00 N ATOM 981 CA ALA A 85 3.722 0.922 -4.029 1.00 0.00 C ATOM 982 C ALA A 85 3.570 2.053 -5.040 1.00 0.00 C ATOM 983 O ALA A 85 2.843 3.018 -4.801 1.00 0.00 O ATOM 984 CB ALA A 85 2.667 -0.147 -4.268 1.00 0.00 C ATOM 0 H ALA A 85 2.698 1.714 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 85 4.709 0.480 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.744 -0.512 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.823 -0.974 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.676 0.278 -4.108 1.00 0.00 H new ATOM 990 N ARG A 86 4.259 1.930 -6.169 1.00 0.00 N ATOM 991 CA ARG A 86 4.202 2.943 -7.215 1.00 0.00 C ATOM 992 C ARG A 86 3.729 2.338 -8.534 1.00 0.00 C ATOM 993 O ARG A 86 4.488 1.656 -9.223 1.00 0.00 O ATOM 994 CB ARG A 86 5.574 3.592 -7.402 1.00 0.00 C ATOM 995 CG ARG A 86 5.505 5.037 -7.869 1.00 0.00 C ATOM 996 CD ARG A 86 6.739 5.818 -7.445 1.00 0.00 C ATOM 997 NE ARG A 86 7.803 5.746 -8.444 1.00 0.00 N ATOM 998 CZ ARG A 86 8.806 6.615 -8.514 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.881 7.616 -7.648 1.00 0.00 N ATOM 1000 NH2 ARG A 86 9.736 6.481 -9.450 1.00 0.00 N ATOM 0 H ARG A 86 4.864 1.137 -6.383 1.00 0.00 H new ATOM 0 HA ARG A 86 3.486 3.705 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.118 3.549 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.146 3.012 -8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.410 5.066 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.614 5.511 -7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.468 6.861 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.106 5.428 -6.496 1.00 0.00 H new ATOM 0 HE ARG A 86 7.774 4.987 -9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.168 7.720 -6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.652 8.282 -7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.682 5.711 -10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.506 7.148 -9.503 1.00 0.00 H new ATOM 1014 N TYR A 87 2.471 2.589 -8.877 1.00 0.00 N ATOM 1015 CA TYR A 87 1.896 2.066 -10.111 1.00 0.00 C ATOM 1016 C TYR A 87 2.367 2.874 -11.317 1.00 0.00 C ATOM 1017 O TYR A 87 2.701 4.053 -11.195 1.00 0.00 O ATOM 1018 CB TYR A 87 0.368 2.086 -10.035 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.214 0.931 -9.254 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.495 -0.282 -9.872 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.484 1.050 -7.895 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -1.027 -1.340 -9.162 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.016 -0.003 -7.177 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.286 -1.196 -7.815 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.816 -2.248 -7.103 1.00 0.00 O ATOM 0 H TYR A 87 1.829 3.151 -8.318 1.00 0.00 H new ATOM 0 HA TYR A 87 2.234 1.037 -10.232 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.048 3.022 -9.577 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.038 2.071 -11.046 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.294 -0.399 -10.927 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.274 1.982 -7.392 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.239 -2.275 -9.659 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.219 0.107 -6.122 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.716 -2.077 -6.143 1.00 0.00 H new ATOM 1035 N ARG A 88 2.391 2.231 -12.479 1.00 0.00 N ATOM 1036 CA ARG A 88 2.821 2.887 -13.707 1.00 0.00 C ATOM 1037 C ARG A 88 1.865 4.016 -14.084 1.00 0.00 C ATOM 1038 O ARG A 88 2.292 5.093 -14.501 1.00 0.00 O ATOM 1039 CB ARG A 88 2.905 1.873 -14.850 1.00 0.00 C ATOM 1040 CG ARG A 88 3.615 2.406 -16.084 1.00 0.00 C ATOM 1041 CD ARG A 88 2.656 3.149 -17.001 1.00 0.00 C ATOM 1042 NE ARG A 88 3.316 3.625 -18.214 1.00 0.00 N ATOM 1043 CZ ARG A 88 4.044 4.735 -18.267 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.205 5.479 -17.182 1.00 0.00 N ATOM 1045 NH2 ARG A 88 4.613 5.102 -19.408 1.00 0.00 N ATOM 0 H ARG A 88 2.117 1.255 -12.596 1.00 0.00 H new ATOM 0 HA ARG A 88 3.809 3.313 -13.535 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.426 0.983 -14.497 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.897 1.564 -15.126 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.421 3.074 -15.781 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.073 1.579 -16.627 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.831 2.491 -17.272 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.226 3.996 -16.466 1.00 0.00 H new ATOM 0 HE ARG A 88 3.212 3.075 -19.067 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.769 5.200 -16.303 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.765 6.331 -17.226 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.492 4.532 -20.245 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.172 5.954 -19.448 1.00 0.00 H new ATOM 1059 N THR A 89 0.569 3.761 -13.935 1.00 0.00 N ATOM 1060 CA THR A 89 -0.447 4.754 -14.261 1.00 0.00 C ATOM 1061 C THR A 89 -1.443 4.917 -13.118 1.00 0.00 C ATOM 1062 O THR A 89 -1.747 3.962 -12.403 1.00 0.00 O ATOM 1063 CB THR A 89 -1.214 4.374 -15.542 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.261 3.449 -15.232 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.276 3.760 -16.571 1.00 0.00 C ATOM 0 H THR A 89 0.198 2.875 -13.591 1.00 0.00 H new ATOM 0 HA THR A 89 0.075 5.697 -14.424 1.00 0.00 H new ATOM 0 HB THR A 89 -1.646 5.282 -15.962 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.421 2.865 -16.003 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.839 3.499 -17.467 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.503 4.478 -16.828 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.181 2.862 -16.156 1.00 0.00 H new ATOM 1073 N THR A 90 -1.948 6.135 -12.949 1.00 0.00 N ATOM 1074 CA THR A 90 -2.909 6.424 -11.892 1.00 0.00 C ATOM 1075 C THR A 90 -4.090 5.462 -11.944 1.00 0.00 C ATOM 1076 O THR A 90 -4.450 4.852 -10.937 1.00 0.00 O ATOM 1077 CB THR A 90 -3.435 7.869 -11.991 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.362 8.760 -12.314 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.082 8.300 -10.683 1.00 0.00 C ATOM 0 H THR A 90 -1.707 6.937 -13.531 1.00 0.00 H new ATOM 0 HA THR A 90 -2.384 6.300 -10.945 1.00 0.00 H new ATOM 0 HB THR A 90 -4.187 7.905 -12.780 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.705 9.676 -12.377 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.446 9.323 -10.777 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.917 7.638 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.347 8.248 -9.879 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.688 5.329 -13.124 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.829 4.438 -13.305 1.00 0.00 C ATOM 1089 C GLU A 91 -5.605 3.113 -12.582 1.00 0.00 C ATOM 1090 O GLU A 91 -6.459 2.660 -11.820 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.074 4.185 -14.794 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.158 5.456 -15.622 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.497 5.184 -17.075 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -7.199 4.185 -17.343 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -6.062 5.968 -17.943 1.00 0.00 O ATOM 0 H GLU A 91 -4.402 5.826 -13.968 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.707 4.921 -12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.271 3.560 -15.184 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.001 3.624 -14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.913 6.115 -15.194 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.206 5.984 -15.568 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.452 2.499 -12.829 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.118 1.225 -12.201 1.00 0.00 C ATOM 1104 C GLU A 92 -4.148 1.342 -10.681 1.00 0.00 C ATOM 1105 O GLU A 92 -4.847 0.590 -10.004 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.737 0.753 -12.661 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.644 0.505 -14.157 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.409 -0.730 -14.592 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.649 -0.740 -14.446 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -2.768 -1.685 -15.077 1.00 0.00 O ATOM 0 H GLU A 92 -3.735 2.862 -13.458 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.865 0.492 -12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.995 1.500 -12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.482 -0.166 -12.133 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.030 1.374 -14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.597 0.397 -14.439 1.00 0.00 H new ATOM 1117 N SER A 93 -3.383 2.292 -10.151 1.00 0.00 N ATOM 1118 CA SER A 93 -3.319 2.506 -8.711 1.00 0.00 C ATOM 1119 C SER A 93 -4.713 2.479 -8.093 1.00 0.00 C ATOM 1120 O SER A 93 -4.989 1.695 -7.184 1.00 0.00 O ATOM 1121 CB SER A 93 -2.639 3.841 -8.402 1.00 0.00 C ATOM 1122 OG SER A 93 -2.970 4.294 -7.101 1.00 0.00 O ATOM 0 H SER A 93 -2.799 2.925 -10.698 1.00 0.00 H new ATOM 0 HA SER A 93 -2.732 1.697 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.558 3.730 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.942 4.586 -9.138 1.00 0.00 H new ATOM 0 HG SER A 93 -3.429 5.157 -7.162 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.592 3.340 -8.595 1.00 0.00 N ATOM 1129 CA LYS A 94 -6.961 3.415 -8.096 1.00 0.00 C ATOM 1130 C LYS A 94 -7.623 2.042 -8.113 1.00 0.00 C ATOM 1131 O LYS A 94 -8.197 1.607 -7.114 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.778 4.398 -8.937 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.445 5.855 -8.667 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.672 6.717 -9.898 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.153 6.958 -10.144 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.711 7.978 -9.214 1.00 0.00 N ATOM 0 H LYS A 94 -5.381 3.996 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.927 3.768 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.611 4.186 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.838 4.235 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.060 6.223 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.406 5.939 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.163 7.673 -9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.232 6.232 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.302 7.285 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.698 6.022 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.700 8.176 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.669 7.618 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.154 8.853 -9.284 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.536 1.362 -9.252 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.127 0.037 -9.397 1.00 0.00 C ATOM 1152 C ARG A 95 -7.761 -0.854 -8.215 1.00 0.00 C ATOM 1153 O ARG A 95 -8.604 -1.579 -7.687 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.661 -0.612 -10.702 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.045 -2.078 -10.824 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.040 -2.848 -11.666 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.410 -4.254 -11.809 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.281 -4.696 -12.708 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -8.868 -3.849 -13.541 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.565 -5.991 -12.777 1.00 0.00 N ATOM 0 H ARG A 95 -7.062 1.707 -10.087 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.211 0.151 -9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.085 -0.063 -11.543 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.577 -0.522 -10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.106 -2.523 -9.831 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.035 -2.160 -11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.967 -2.390 -12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.053 -2.777 -11.208 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.975 -4.933 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.651 -2.853 -13.493 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.537 -4.193 -14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.114 -6.647 -12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.234 -6.330 -13.468 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.499 -0.796 -7.804 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.021 -1.595 -6.682 1.00 0.00 C ATOM 1176 C ALA A 96 -6.512 -1.028 -5.355 1.00 0.00 C ATOM 1177 O ALA A 96 -6.884 -1.775 -4.449 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.502 -1.672 -6.697 1.00 0.00 C ATOM 0 H ALA A 96 -5.788 -0.203 -8.232 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.425 -2.602 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.160 -2.272 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.170 -2.132 -7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.086 -0.667 -6.620 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.510 0.295 -5.246 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.951 0.964 -4.027 1.00 0.00 C ATOM 1186 C TYR A 97 -8.389 0.583 -3.688 1.00 0.00 C ATOM 1187 O TYR A 97 -8.748 0.449 -2.518 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.836 2.481 -4.181 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.642 3.256 -3.164 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.112 3.564 -1.918 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.934 3.679 -3.450 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.846 4.272 -0.984 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.675 4.389 -2.523 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.126 4.682 -1.292 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.860 5.387 -0.366 1.00 0.00 O ATOM 0 H TYR A 97 -6.208 0.927 -5.987 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.305 0.640 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.788 2.768 -4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.163 2.762 -5.182 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.109 3.245 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.367 3.450 -4.412 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.419 4.502 -0.019 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.678 4.712 -2.761 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.740 5.601 -0.740 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.207 0.409 -4.721 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.606 0.042 -4.534 1.00 0.00 C ATOM 1207 C VAL A 98 -10.779 -1.473 -4.517 1.00 0.00 C ATOM 1208 O VAL A 98 -11.758 -1.992 -3.980 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.495 0.637 -5.642 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.966 0.479 -5.289 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.148 2.099 -5.876 1.00 0.00 C ATOM 0 H VAL A 98 -8.925 0.516 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.915 0.451 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.308 0.091 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.579 0.905 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.202 -0.579 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.173 0.998 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.786 2.503 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.305 2.662 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.104 2.181 -6.178 1.00 0.00 H new ATOM 1221 N THR A 99 -9.821 -2.180 -5.108 1.00 0.00 N ATOM 1222 CA THR A 99 -9.867 -3.635 -5.162 1.00 0.00 C ATOM 1223 C THR A 99 -9.066 -4.254 -4.022 1.00 0.00 C ATOM 1224 O THR A 99 -9.623 -4.925 -3.152 1.00 0.00 O ATOM 1225 CB THR A 99 -9.322 -4.165 -6.502 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.175 -3.752 -7.575 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.220 -5.683 -6.483 1.00 0.00 C ATOM 0 H THR A 99 -9.003 -1.767 -5.556 1.00 0.00 H new ATOM 0 HA THR A 99 -10.914 -3.921 -5.064 1.00 0.00 H new ATOM 0 HB THR A 99 -8.324 -3.752 -6.652 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.875 -2.884 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.833 -6.034 -7.440 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.547 -5.992 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.207 -6.112 -6.312 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.758 -4.021 -4.030 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.880 -4.555 -2.994 1.00 0.00 C ATOM 1237 C LEU A 100 -7.381 -4.171 -1.604 1.00 0.00 C ATOM 1238 O LEU A 100 -7.483 -5.016 -0.716 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.453 -4.042 -3.194 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.900 -4.131 -4.616 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.421 -3.779 -4.637 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.128 -5.522 -5.190 1.00 0.00 C ATOM 0 H LEU A 100 -7.282 -3.466 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.884 -5.642 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.415 -3.000 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.791 -4.602 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.432 -3.411 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.045 -3.848 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.284 -2.763 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.873 -4.474 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.728 -5.568 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.623 -6.260 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.197 -5.736 -5.212 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.694 -2.892 -1.426 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.185 -2.397 -0.146 1.00 0.00 C ATOM 1256 C ASN A 101 -9.356 -3.241 0.350 1.00 0.00 C ATOM 1257 O ASN A 101 -10.366 -3.386 -0.338 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.614 -0.934 -0.272 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.970 -0.318 1.068 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.656 -0.933 1.884 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.503 0.904 1.300 1.00 0.00 N ATOM 0 H ASN A 101 -7.616 -2.180 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.374 -2.470 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.808 -0.360 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.473 -0.866 -0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.710 1.370 2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.938 1.376 0.594 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.213 -3.795 1.550 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.265 -4.616 2.119 1.00 0.00 C ATOM 1270 C GLY A 102 -10.148 -6.071 1.711 1.00 0.00 C ATOM 1271 O GLY A 102 -10.744 -6.949 2.337 1.00 0.00 O ATOM 0 H GLY A 102 -8.387 -3.690 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.231 -4.543 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.234 -4.230 1.803 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.381 -6.330 0.659 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.187 -7.689 0.167 1.00 0.00 C ATOM 1277 C LYS A 103 -8.410 -8.527 1.177 1.00 0.00 C ATOM 1278 O LYS A 103 -7.666 -7.992 1.998 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.447 -7.668 -1.172 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.390 -9.023 -1.858 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.406 -9.022 -3.015 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.532 -10.283 -3.855 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.001 -11.478 -3.144 1.00 0.00 N ATOM 0 H LYS A 103 -8.882 -5.615 0.129 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.169 -8.141 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.935 -6.954 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.431 -7.309 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.102 -9.786 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.382 -9.289 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.580 -8.147 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.390 -8.940 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.579 -10.447 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.994 -10.150 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.657 -12.275 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.072 -11.731 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.903 -11.264 -2.131 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.585 -9.843 1.107 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.898 -10.753 2.016 1.00 0.00 C ATOM 1299 C GLU A 104 -6.753 -11.470 1.305 1.00 0.00 C ATOM 1300 O GLU A 104 -6.824 -11.741 0.107 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.881 -11.780 2.584 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.803 -11.213 3.650 1.00 0.00 C ATOM 1303 CD GLU A 104 -11.087 -10.649 3.073 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.757 -11.369 2.303 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -11.421 -9.489 3.390 1.00 0.00 O ATOM 0 H GLU A 104 -9.196 -10.302 0.431 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.484 -10.164 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.484 -12.182 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.320 -12.613 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.045 -11.996 4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.280 -10.429 4.197 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.697 -11.772 2.054 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.536 -12.456 1.497 1.00 0.00 C ATOM 1314 C VAL A 105 -3.860 -13.333 2.546 1.00 0.00 C ATOM 1315 O VAL A 105 -3.860 -13.010 3.733 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.507 -11.455 0.940 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -4.047 -10.773 -0.309 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -3.137 -10.428 2.000 1.00 0.00 C ATOM 0 H VAL A 105 -5.622 -11.554 3.048 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.899 -13.082 0.682 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.605 -12.002 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.306 -10.069 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.258 -11.523 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.964 -10.237 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.409 -9.728 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.030 -9.884 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.706 -10.935 2.863 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.283 -14.444 2.098 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.602 -15.366 2.998 1.00 0.00 C ATOM 1330 C VAL A 106 -1.150 -14.953 3.213 1.00 0.00 C ATOM 1331 O VAL A 106 -0.345 -14.965 2.281 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.638 -16.808 2.455 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.678 -17.696 3.233 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.054 -17.362 2.510 1.00 0.00 C ATOM 0 H VAL A 106 -3.274 -14.727 1.118 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.132 -15.329 3.950 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.318 -16.794 1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.717 -18.710 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.664 -17.308 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.964 -17.707 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.061 -18.381 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.404 -17.363 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.712 -16.739 1.904 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.822 -14.587 4.447 1.00 0.00 N ATOM 1345 CA ASP A 107 0.533 -14.171 4.786 1.00 0.00 C ATOM 1346 C ASP A 107 1.464 -15.376 4.886 1.00 0.00 C ATOM 1347 O ASP A 107 1.054 -16.510 4.641 1.00 0.00 O ATOM 1348 CB ASP A 107 0.537 -13.397 6.105 1.00 0.00 C ATOM 1349 CG ASP A 107 0.692 -14.306 7.308 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.263 -15.050 7.615 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.767 -14.273 7.944 1.00 0.00 O ATOM 0 H ASP A 107 -1.476 -14.570 5.229 1.00 0.00 H new ATOM 0 HA ASP A 107 0.896 -13.520 3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.350 -12.671 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.392 -12.834 6.196 1.00 0.00 H new ATOM 1356 N ASP A 108 2.717 -15.121 5.244 1.00 0.00 N ATOM 1357 CA ASP A 108 3.706 -16.185 5.376 1.00 0.00 C ATOM 1358 C ASP A 108 3.217 -17.265 6.335 1.00 0.00 C ATOM 1359 O ASP A 108 3.323 -18.459 6.050 1.00 0.00 O ATOM 1360 CB ASP A 108 5.038 -15.615 5.865 1.00 0.00 C ATOM 1361 CG ASP A 108 6.206 -16.531 5.563 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.037 -17.764 5.674 1.00 0.00 O ATOM 1363 OD2 ASP A 108 7.290 -16.017 5.215 1.00 0.00 O ATOM 0 H ASP A 108 3.073 -14.187 5.448 1.00 0.00 H new ATOM 0 HA ASP A 108 3.852 -16.636 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.209 -14.646 5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.983 -15.443 6.940 1.00 0.00 H new ATOM 1368 N LEU A 109 2.683 -16.839 7.475 1.00 0.00 N ATOM 1369 CA LEU A 109 2.178 -17.770 8.479 1.00 0.00 C ATOM 1370 C LEU A 109 1.058 -18.633 7.906 1.00 0.00 C ATOM 1371 O LEU A 109 0.870 -19.776 8.319 1.00 0.00 O ATOM 1372 CB LEU A 109 1.673 -17.006 9.703 1.00 0.00 C ATOM 1373 CG LEU A 109 2.656 -16.017 10.331 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.004 -15.277 11.488 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.912 -16.739 10.798 1.00 0.00 C ATOM 0 H LEU A 109 2.589 -15.855 7.727 1.00 0.00 H new ATOM 0 HA LEU A 109 2.998 -18.423 8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.772 -16.462 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.382 -17.730 10.464 1.00 0.00 H new ATOM 0 HG LEU A 109 2.940 -15.286 9.574 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.719 -14.578 11.922 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.135 -14.729 11.125 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.690 -15.993 12.247 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.601 -16.020 11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.645 -17.492 11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.391 -17.223 9.947 1.00 0.00 H new ATOM 1387 N GLY A 110 0.320 -18.078 6.950 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.770 -18.813 6.335 1.00 0.00 C ATOM 1389 C GLY A 110 -2.131 -18.305 6.772 1.00 0.00 C ATOM 1390 O GLY A 110 -3.149 -18.950 6.523 1.00 0.00 O ATOM 0 H GLY A 110 0.457 -17.133 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.689 -18.738 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.681 -19.869 6.589 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.147 -17.149 7.428 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.392 -16.559 7.903 1.00 0.00 C ATOM 1396 C GLN A 111 -3.911 -15.517 6.917 1.00 0.00 C ATOM 1397 O GLN A 111 -3.133 -14.801 6.286 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.186 -15.920 9.277 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.797 -16.914 10.359 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.205 -16.457 11.745 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.388 -16.448 12.086 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.223 -16.076 12.556 1.00 0.00 N ATOM 0 H GLN A 111 -1.312 -16.603 7.642 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.133 -17.354 7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.411 -15.157 9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.104 -15.413 9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.262 -17.877 10.147 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.718 -17.068 10.334 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.256 -16.099 12.232 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.436 -15.760 13.502 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.232 -15.437 6.790 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.856 -14.482 5.881 1.00 0.00 C ATOM 1413 C LYS A 112 -5.901 -13.090 6.501 1.00 0.00 C ATOM 1414 O LYS A 112 -6.751 -12.803 7.345 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.273 -14.939 5.524 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.312 -16.027 4.466 1.00 0.00 C ATOM 1417 CD LYS A 112 -6.979 -15.479 3.088 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.684 -16.261 1.991 1.00 0.00 C ATOM 1419 NZ LYS A 112 -7.041 -17.583 1.752 1.00 0.00 N ATOM 0 H LYS A 112 -5.890 -16.022 7.305 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.255 -14.436 4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.766 -15.302 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.845 -14.080 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.604 -16.814 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.302 -16.482 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.270 -14.430 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.901 -15.520 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.729 -16.409 2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.675 -15.681 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.765 -18.276 1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.337 -17.494 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.571 -17.903 2.623 1.00 0.00 H new ATOM 1433 N ILE A 113 -4.982 -12.228 6.078 1.00 0.00 N ATOM 1434 CA ILE A 113 -4.919 -10.865 6.591 1.00 0.00 C ATOM 1435 C ILE A 113 -5.596 -9.887 5.637 1.00 0.00 C ATOM 1436 O ILE A 113 -5.656 -10.121 4.429 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.464 -10.417 6.821 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.647 -11.557 7.433 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.423 -9.188 7.717 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.296 -11.119 7.954 1.00 0.00 C ATOM 0 H ILE A 113 -4.271 -12.450 5.381 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.446 -10.862 7.545 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.024 -10.155 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.215 -12.003 8.249 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.504 -12.334 6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.388 -8.884 7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.974 -8.375 7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.878 -9.424 8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.772 -11.978 8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.709 -10.700 7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.432 -10.363 8.728 1.00 0.00 H new ATOM 1452 N THR A 114 -6.105 -8.789 6.186 1.00 0.00 N ATOM 1453 CA THR A 114 -6.777 -7.774 5.384 1.00 0.00 C ATOM 1454 C THR A 114 -5.901 -6.536 5.218 1.00 0.00 C ATOM 1455 O THR A 114 -5.806 -5.705 6.122 1.00 0.00 O ATOM 1456 CB THR A 114 -8.119 -7.358 6.014 1.00 0.00 C ATOM 1457 OG1 THR A 114 -8.869 -8.522 6.382 1.00 0.00 O ATOM 1458 CG2 THR A 114 -8.931 -6.510 5.047 1.00 0.00 C ATOM 0 H THR A 114 -6.065 -8.580 7.183 1.00 0.00 H new ATOM 0 HA THR A 114 -6.965 -8.217 4.406 1.00 0.00 H new ATOM 0 HB THR A 114 -7.909 -6.765 6.904 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.720 -8.249 6.783 1.00 0.00 H new ATOM 0 HG21 THR A 114 -9.875 -6.228 5.514 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.370 -5.611 4.792 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.131 -7.082 4.141 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.265 -6.419 4.058 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.398 -5.281 3.773 1.00 0.00 C ATOM 1468 C LEU A 115 -5.199 -4.118 3.195 1.00 0.00 C ATOM 1469 O LEU A 115 -6.030 -4.303 2.306 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.293 -5.689 2.797 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.617 -7.032 3.072 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.565 -7.327 2.014 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -1.997 -7.044 4.461 1.00 0.00 C ATOM 0 H LEU A 115 -5.333 -7.098 3.300 1.00 0.00 H new ATOM 0 HA LEU A 115 -3.945 -4.956 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.715 -5.716 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.528 -4.913 2.800 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.376 -7.813 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.095 -8.287 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.037 -7.363 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.809 -6.542 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.521 -8.008 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.252 -6.252 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.774 -6.880 5.208 1.00 0.00 H new ATOM 1485 N TYR A 116 -4.941 -2.919 3.705 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.637 -1.725 3.241 1.00 0.00 C ATOM 1487 C TYR A 116 -4.735 -0.882 2.343 1.00 0.00 C ATOM 1488 O TYR A 116 -3.519 -1.078 2.306 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.115 -0.891 4.431 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.241 -1.534 5.207 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -6.980 -2.429 6.236 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.567 -1.244 4.911 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.007 -3.019 6.948 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -9.601 -1.829 5.619 1.00 0.00 C ATOM 1495 CZ TYR A 116 -9.315 -2.716 6.636 1.00 0.00 C ATOM 1496 OH TYR A 116 -10.341 -3.300 7.343 1.00 0.00 O ATOM 0 H TYR A 116 -4.255 -2.748 4.440 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.502 -2.044 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.275 -0.717 5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.443 0.084 4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.957 -2.668 6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.794 -0.550 4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -7.786 -3.714 7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -10.627 -1.593 5.377 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.200 -2.979 6.998 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.339 0.057 1.624 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.591 0.932 0.727 1.00 0.00 C ATOM 1508 C LEU A 117 -5.111 2.363 0.804 1.00 0.00 C ATOM 1509 O LEU A 117 -6.304 2.611 0.631 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.684 0.421 -0.712 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.793 -0.773 -1.058 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.422 -2.069 -0.569 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.542 -0.833 -2.558 1.00 0.00 C ATOM 0 H LEU A 117 -6.344 0.232 1.644 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.547 0.926 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.720 0.147 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.435 1.242 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.835 -0.645 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.774 -2.907 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.550 -2.026 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.394 -2.204 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.906 -1.688 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.492 -0.937 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.048 0.083 -2.881 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.208 3.303 1.064 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.576 4.711 1.162 1.00 0.00 C ATOM 1527 C ASN A 118 -3.824 5.543 0.128 1.00 0.00 C ATOM 1528 O ASN A 118 -2.618 5.379 -0.059 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.285 5.239 2.568 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.398 4.923 3.547 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.214 4.030 3.310 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.438 5.655 4.655 1.00 0.00 N ATOM 0 H ASN A 118 -3.216 3.115 1.211 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.644 4.796 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.353 4.805 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.139 6.318 2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.165 5.488 5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.742 6.384 4.810 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.544 6.438 -0.541 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.945 7.296 -1.556 1.00 0.00 C ATOM 1541 C PHE A 119 -2.928 8.248 -0.933 1.00 0.00 C ATOM 1542 O PHE A 119 -3.244 8.992 -0.005 1.00 0.00 O ATOM 1543 CB PHE A 119 -5.029 8.095 -2.283 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.820 7.277 -3.264 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.181 6.557 -4.260 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.203 7.229 -3.189 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.907 5.803 -5.164 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.933 6.477 -4.089 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.284 5.764 -5.079 1.00 0.00 C ATOM 0 H PHE A 119 -5.543 6.588 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.428 6.660 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.709 8.523 -1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.564 8.929 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.104 6.585 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.716 7.786 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.397 5.245 -5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -9.010 6.446 -4.019 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.853 5.177 -5.785 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.703 8.217 -1.450 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.639 9.076 -0.946 1.00 0.00 C ATOM 1561 C VAL A 120 -0.042 9.924 -2.063 1.00 0.00 C ATOM 1562 O VAL A 120 0.382 9.402 -3.093 1.00 0.00 O ATOM 1563 CB VAL A 120 0.482 8.253 -0.286 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.073 7.406 0.849 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.181 7.382 -1.320 1.00 0.00 C ATOM 0 H VAL A 120 -1.424 7.606 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.088 9.729 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 120 1.216 8.941 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.735 6.832 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.524 8.055 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.828 6.724 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.971 6.807 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.459 6.701 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.615 8.014 -2.095 1.00 0.00 H new ATOM 1575 N GLU A 121 -0.012 11.237 -1.851 1.00 0.00 N ATOM 1576 CA GLU A 121 0.534 12.157 -2.841 1.00 0.00 C ATOM 1577 C GLU A 121 2.057 12.076 -2.879 1.00 0.00 C ATOM 1578 O GLU A 121 2.664 12.091 -3.950 1.00 0.00 O ATOM 1579 CB GLU A 121 0.096 13.591 -2.533 1.00 0.00 C ATOM 1580 CG GLU A 121 0.295 13.989 -1.081 1.00 0.00 C ATOM 1581 CD GLU A 121 0.088 15.473 -0.848 1.00 0.00 C ATOM 1582 OE1 GLU A 121 -1.015 15.971 -1.153 1.00 0.00 O ATOM 1583 OE2 GLU A 121 1.028 16.135 -0.362 1.00 0.00 O ATOM 0 H GLU A 121 -0.359 11.686 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 121 0.148 11.868 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 121 0.655 14.277 -3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.957 13.704 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.399 13.427 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.302 13.713 -0.767 1.00 0.00 H new ATOM 1590 N LYS A 122 2.668 11.991 -1.703 1.00 0.00 N ATOM 1591 CA LYS A 122 4.121 11.906 -1.599 1.00 0.00 C ATOM 1592 C LYS A 122 4.533 10.792 -0.641 1.00 0.00 C ATOM 1593 O LYS A 122 3.816 10.480 0.309 1.00 0.00 O ATOM 1594 CB LYS A 122 4.697 13.241 -1.125 1.00 0.00 C ATOM 1595 CG LYS A 122 4.085 13.742 0.172 1.00 0.00 C ATOM 1596 CD LYS A 122 4.962 14.793 0.833 1.00 0.00 C ATOM 1597 CE LYS A 122 4.703 16.177 0.256 1.00 0.00 C ATOM 1598 NZ LYS A 122 5.509 17.223 0.943 1.00 0.00 N ATOM 0 H LYS A 122 2.180 11.979 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 122 4.519 11.677 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.774 13.136 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.544 13.990 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.100 14.163 -0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.941 12.905 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.773 14.804 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.011 14.531 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.939 16.177 -0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.644 16.416 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.305 18.151 0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.266 17.241 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.521 17.009 0.834 1.00 0.00 H new ATOM 1612 N VAL A 123 5.694 10.198 -0.896 1.00 0.00 N ATOM 1613 CA VAL A 123 6.204 9.122 -0.055 1.00 0.00 C ATOM 1614 C VAL A 123 7.693 9.297 0.220 1.00 0.00 C ATOM 1615 O VAL A 123 8.410 9.914 -0.566 1.00 0.00 O ATOM 1616 CB VAL A 123 5.972 7.745 -0.705 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.666 6.653 0.096 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.484 7.460 -0.833 1.00 0.00 C ATOM 0 H VAL A 123 6.300 10.444 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 123 5.656 9.169 0.886 1.00 0.00 H new ATOM 0 HB VAL A 123 6.403 7.758 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.491 5.687 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.737 6.852 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.267 6.637 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.339 6.483 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.026 7.466 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.019 8.226 -1.453 1.00 0.00 H new ATOM 1628 N GLN A 124 8.149 8.752 1.342 1.00 0.00 N ATOM 1629 CA GLN A 124 9.554 8.849 1.722 1.00 0.00 C ATOM 1630 C GLN A 124 10.396 7.830 0.961 1.00 0.00 C ATOM 1631 O GLN A 124 11.243 7.152 1.543 1.00 0.00 O ATOM 1632 CB GLN A 124 9.713 8.636 3.228 1.00 0.00 C ATOM 1633 CG GLN A 124 9.176 7.300 3.714 1.00 0.00 C ATOM 1634 CD GLN A 124 10.225 6.205 3.689 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.037 5.165 3.059 1.00 0.00 O ATOM 1636 NE2 GLN A 124 11.336 6.435 4.377 1.00 0.00 N ATOM 0 H GLN A 124 7.567 8.239 2.004 1.00 0.00 H new ATOM 0 HA GLN A 124 9.905 9.848 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 124 10.769 8.709 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 124 9.198 9.439 3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.798 7.413 4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.332 7.004 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.449 7.312 4.885 1.00 0.00 H new ATOM 0 HE22 GLN A 124 12.077 5.735 4.398 1.00 0.00 H new ATOM 1645 N TRP A 125 10.156 7.727 -0.342 1.00 0.00 N ATOM 1646 CA TRP A 125 10.893 6.790 -1.182 1.00 0.00 C ATOM 1647 C TRP A 125 12.362 6.733 -0.777 1.00 0.00 C ATOM 1648 O TRP A 125 12.962 7.754 -0.443 1.00 0.00 O ATOM 1649 CB TRP A 125 10.771 7.189 -2.653 1.00 0.00 C ATOM 1650 CG TRP A 125 9.357 7.207 -3.150 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.590 8.309 -3.400 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.541 6.070 -3.453 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.347 7.925 -3.841 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.291 6.557 -3.883 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.745 4.688 -3.404 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.252 5.712 -4.260 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.712 3.850 -3.779 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.479 4.363 -4.203 1.00 0.00 C ATOM 0 H TRP A 125 9.458 8.280 -0.839 1.00 0.00 H new ATOM 0 HA TRP A 125 10.460 5.799 -1.044 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.209 8.177 -2.791 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.353 6.495 -3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.913 9.331 -3.270 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.588 8.557 -4.096 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.692 4.283 -3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.301 6.106 -4.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.858 2.780 -3.745 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.692 3.681 -4.490 1.00 0.00 H new