USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=24 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 -160:sc= 0 USER MOD Set 1.2: A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 80 LYS NZ :NH3+ 168:sc= -0.258 (180deg=-0.836) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0.0452 USER MOD Set 3.1: A 76 MET CE :methyl -110:sc= -0.263 (180deg=-1.27) USER MOD Set 3.2: A 83 SER OG : rot 1:sc= -0.415 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 42 THR OG1 : rot 74:sc= 0.227 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.405 K(o=0.4,f=-1.5!) USER MOD Single : A 54 ASN : amide:sc= -6.42! C(o=-6.4!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.552 USER MOD Single : A 59 ASN : amide:sc= -0.713 X(o=-0.71,f=-0.71) USER MOD Single : A 60 GLN : amide:sc= -0.497 K(o=-0.5,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= -1.29 (180deg=-1.38) USER MOD Single : A 68 CYS SG : rot -130:sc= -1.33 USER MOD Single : A 79 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.014) USER MOD Single : A 87 TYR OH : rot 165:sc= -0.717 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 93 SER OG : rot 168:sc= 0.851 USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= -1.46! (180deg=-1.48!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 90:sc= 1.14 USER MOD Single : A 101 ASN : amide:sc= -0.657 K(o=-0.66,f=-4.8!) USER MOD Single : A 103 LYS NZ :NH3+ -167:sc= -0.0224 (180deg=-0.229) USER MOD Single : A 111 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.26) 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+ 163:sc= -0.0327 (180deg=-0.318) USER MOD Single : A 124 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 2.124 8.696 8.764 1.00 0.00 N ATOM 231 CA ILE A 35 1.950 8.654 7.319 1.00 0.00 C ATOM 232 C ILE A 35 0.853 9.614 6.869 1.00 0.00 C ATOM 233 O ILE A 35 -0.256 9.596 7.400 1.00 0.00 O ATOM 234 CB ILE A 35 1.602 7.233 6.834 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.763 6.277 7.116 1.00 0.00 C ATOM 236 CG2 ILE A 35 1.267 7.246 5.351 1.00 0.00 C ATOM 237 CD1 ILE A 35 2.389 4.818 6.986 1.00 0.00 C ATOM 0 HA ILE A 35 2.900 8.958 6.879 1.00 0.00 H new ATOM 0 HB ILE A 35 0.726 6.883 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.580 6.497 6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.137 6.460 8.123 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.024 6.235 5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.412 7.899 5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.125 7.613 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.260 4.199 7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.594 4.582 7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.043 4.620 5.971 1.00 0.00 H new ATOM 249 N GLU A 36 1.174 10.450 5.886 1.00 0.00 N ATOM 250 CA GLU A 36 0.214 11.417 5.365 1.00 0.00 C ATOM 251 C GLU A 36 -0.396 10.926 4.056 1.00 0.00 C ATOM 252 O GLU A 36 0.291 10.812 3.040 1.00 0.00 O ATOM 253 CB GLU A 36 0.891 12.772 5.148 1.00 0.00 C ATOM 254 CG GLU A 36 1.424 13.399 6.426 1.00 0.00 C ATOM 255 CD GLU A 36 1.713 14.878 6.274 1.00 0.00 C ATOM 256 OE1 GLU A 36 0.748 15.665 6.176 1.00 0.00 O ATOM 257 OE2 GLU A 36 2.905 15.251 6.253 1.00 0.00 O ATOM 0 H GLU A 36 2.089 10.477 5.435 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.585 11.530 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.714 12.649 4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.177 13.456 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.699 13.255 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.336 12.883 6.726 1.00 0.00 H new ATOM 264 N THR A 37 -1.693 10.635 4.087 1.00 0.00 N ATOM 265 CA THR A 37 -2.397 10.154 2.904 1.00 0.00 C ATOM 266 C THR A 37 -3.406 11.184 2.409 1.00 0.00 C ATOM 267 O THR A 37 -4.008 11.909 3.201 1.00 0.00 O ATOM 268 CB THR A 37 -3.129 8.829 3.187 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.274 9.069 4.015 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.203 7.833 3.869 1.00 0.00 C ATOM 0 H THR A 37 -2.277 10.724 4.918 1.00 0.00 H new ATOM 0 HA THR A 37 -1.645 9.987 2.133 1.00 0.00 H new ATOM 0 HB THR A 37 -3.451 8.407 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.546 8.233 4.448 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.743 6.905 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.348 7.630 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.854 8.249 4.814 1.00 0.00 H new ATOM 278 N VAL A 38 -3.587 11.242 1.094 1.00 0.00 N ATOM 279 CA VAL A 38 -4.525 12.182 0.492 1.00 0.00 C ATOM 280 C VAL A 38 -5.828 11.490 0.110 1.00 0.00 C ATOM 281 O VAL A 38 -5.999 10.294 0.343 1.00 0.00 O ATOM 282 CB VAL A 38 -3.926 12.850 -0.761 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.772 13.764 -0.378 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.472 11.796 -1.760 1.00 0.00 C ATOM 0 H VAL A 38 -3.096 10.649 0.425 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.729 12.947 1.241 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.699 13.457 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.361 14.227 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.131 14.539 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.995 13.181 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.052 12.285 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.714 11.162 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.325 11.185 -2.057 1.00 0.00 H new ATOM 294 N SER A 39 -6.746 12.251 -0.479 1.00 0.00 N ATOM 295 CA SER A 39 -8.037 11.711 -0.890 1.00 0.00 C ATOM 296 C SER A 39 -8.045 11.402 -2.384 1.00 0.00 C ATOM 297 O SER A 39 -8.448 10.317 -2.802 1.00 0.00 O ATOM 298 CB SER A 39 -9.157 12.698 -0.555 1.00 0.00 C ATOM 299 OG SER A 39 -10.430 12.099 -0.715 1.00 0.00 O ATOM 0 H SER A 39 -6.620 13.243 -0.682 1.00 0.00 H new ATOM 0 HA SER A 39 -8.206 10.783 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.043 13.048 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.080 13.573 -1.200 1.00 0.00 H new ATOM 0 HG SER A 39 -11.128 12.750 -0.493 1.00 0.00 H new ATOM 305 N TYR A 40 -7.598 12.364 -3.182 1.00 0.00 N ATOM 306 CA TYR A 40 -7.555 12.198 -4.630 1.00 0.00 C ATOM 307 C TYR A 40 -6.650 11.033 -5.019 1.00 0.00 C ATOM 308 O TYR A 40 -5.746 10.659 -4.271 1.00 0.00 O ATOM 309 CB TYR A 40 -7.066 13.484 -5.299 1.00 0.00 C ATOM 310 CG TYR A 40 -5.758 13.996 -4.740 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.736 14.879 -3.668 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.544 13.598 -5.286 1.00 0.00 C ATOM 313 CE1 TYR A 40 -4.543 15.351 -3.155 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.346 14.063 -4.778 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.350 14.940 -3.713 1.00 0.00 C ATOM 316 OH TYR A 40 -2.159 15.406 -3.206 1.00 0.00 O ATOM 0 H TYR A 40 -7.260 13.268 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.566 11.980 -4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.950 13.306 -6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.827 14.256 -5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.668 15.202 -3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.537 12.914 -6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.544 16.038 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.411 13.741 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.414 15.018 -3.712 1.00 0.00 H new ATOM 326 N ALA A 41 -6.900 10.464 -6.194 1.00 0.00 N ATOM 327 CA ALA A 41 -6.106 9.345 -6.685 1.00 0.00 C ATOM 328 C ALA A 41 -4.636 9.730 -6.819 1.00 0.00 C ATOM 329 O ALA A 41 -4.310 10.867 -7.160 1.00 0.00 O ATOM 330 CB ALA A 41 -6.649 8.856 -8.019 1.00 0.00 C ATOM 0 H ALA A 41 -7.646 10.760 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.178 8.536 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.046 8.020 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.682 8.531 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.609 9.666 -8.747 1.00 0.00 H new ATOM 336 N THR A 42 -3.752 8.776 -6.549 1.00 0.00 N ATOM 337 CA THR A 42 -2.317 9.015 -6.638 1.00 0.00 C ATOM 338 C THR A 42 -1.570 7.746 -7.029 1.00 0.00 C ATOM 339 O THR A 42 -1.720 6.705 -6.389 1.00 0.00 O ATOM 340 CB THR A 42 -1.751 9.539 -5.303 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.039 8.612 -4.252 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.339 10.900 -4.964 1.00 0.00 C ATOM 0 H THR A 42 -4.005 7.829 -6.266 1.00 0.00 H new ATOM 0 HA THR A 42 -2.171 9.771 -7.409 1.00 0.00 H new ATOM 0 HB THR A 42 -0.671 9.644 -5.407 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.461 7.826 -4.342 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.925 11.250 -4.018 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.091 11.610 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.422 10.817 -4.877 1.00 0.00 H new ATOM 350 N GLN A 43 -0.767 7.839 -8.084 1.00 0.00 N ATOM 351 CA GLN A 43 0.004 6.696 -8.561 1.00 0.00 C ATOM 352 C GLN A 43 0.597 5.915 -7.393 1.00 0.00 C ATOM 353 O GLN A 43 0.792 4.702 -7.479 1.00 0.00 O ATOM 354 CB GLN A 43 1.118 7.160 -9.498 1.00 0.00 C ATOM 355 CG GLN A 43 0.612 7.700 -10.826 1.00 0.00 C ATOM 356 CD GLN A 43 1.698 8.386 -11.631 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.423 9.239 -11.116 1.00 0.00 O ATOM 358 NE2 GLN A 43 1.818 8.016 -12.900 1.00 0.00 N ATOM 0 H GLN A 43 -0.633 8.693 -8.625 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.670 6.038 -9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.702 7.934 -8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.792 6.325 -9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.194 6.881 -11.411 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.198 8.405 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.196 7.305 -13.285 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.532 8.442 -13.490 1.00 0.00 H new ATOM 367 N SER A 44 0.883 6.617 -6.302 1.00 0.00 N ATOM 368 CA SER A 44 1.459 5.990 -5.118 1.00 0.00 C ATOM 369 C SER A 44 0.363 5.529 -4.160 1.00 0.00 C ATOM 370 O SER A 44 -0.672 6.181 -4.023 1.00 0.00 O ATOM 371 CB SER A 44 2.398 6.964 -4.404 1.00 0.00 C ATOM 372 OG SER A 44 3.232 7.639 -5.330 1.00 0.00 O ATOM 0 H SER A 44 0.725 7.621 -6.213 1.00 0.00 H new ATOM 0 HA SER A 44 2.028 5.118 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.813 7.690 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.012 6.421 -3.685 1.00 0.00 H new ATOM 0 HG SER A 44 3.822 8.257 -4.849 1.00 0.00 H new ATOM 378 N LEU A 45 0.601 4.401 -3.501 1.00 0.00 N ATOM 379 CA LEU A 45 -0.365 3.850 -2.556 1.00 0.00 C ATOM 380 C LEU A 45 0.340 3.268 -1.334 1.00 0.00 C ATOM 381 O LEU A 45 1.437 2.720 -1.440 1.00 0.00 O ATOM 382 CB LEU A 45 -1.212 2.771 -3.232 1.00 0.00 C ATOM 383 CG LEU A 45 -2.146 3.249 -4.344 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.616 2.075 -5.188 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.335 3.997 -3.757 1.00 0.00 C ATOM 0 H LEU A 45 1.453 3.850 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.016 4.660 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.542 2.018 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.812 2.277 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.593 3.934 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.280 2.435 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.754 1.582 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.152 1.365 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.989 4.330 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.888 3.335 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.980 4.862 -3.197 1.00 0.00 H new ATOM 397 N VAL A 46 -0.299 3.390 -0.175 1.00 0.00 N ATOM 398 CA VAL A 46 0.266 2.873 1.066 1.00 0.00 C ATOM 399 C VAL A 46 -0.491 1.638 1.541 1.00 0.00 C ATOM 400 O VAL A 46 -1.682 1.705 1.847 1.00 0.00 O ATOM 401 CB VAL A 46 0.240 3.938 2.180 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.192 4.249 2.589 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.056 3.475 3.377 1.00 0.00 C ATOM 0 H VAL A 46 -1.207 3.842 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 46 1.301 2.603 0.855 1.00 0.00 H new ATOM 0 HB VAL A 46 0.689 4.853 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.190 5.003 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.743 4.626 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.671 3.341 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.027 4.239 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.638 2.546 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.089 3.308 3.071 1.00 0.00 H new ATOM 413 N VAL A 47 0.208 0.510 1.603 1.00 0.00 N ATOM 414 CA VAL A 47 -0.396 -0.742 2.042 1.00 0.00 C ATOM 415 C VAL A 47 -0.421 -0.835 3.564 1.00 0.00 C ATOM 416 O VAL A 47 0.624 -0.868 4.212 1.00 0.00 O ATOM 417 CB VAL A 47 0.360 -1.959 1.477 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.522 -3.199 1.514 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.839 -1.678 0.061 1.00 0.00 C ATOM 0 H VAL A 47 1.195 0.437 1.354 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.418 -0.751 1.663 1.00 0.00 H new ATOM 0 HB VAL A 47 1.234 -2.144 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.028 -4.049 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.811 -3.409 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.416 -3.028 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.371 -2.549 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.018 -1.466 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.508 -0.818 0.067 1.00 0.00 H new ATOM 429 N ALA A 48 -1.624 -0.878 4.128 1.00 0.00 N ATOM 430 CA ALA A 48 -1.786 -0.970 5.574 1.00 0.00 C ATOM 431 C ALA A 48 -1.883 -2.423 6.024 1.00 0.00 C ATOM 432 O ALA A 48 -2.211 -3.307 5.233 1.00 0.00 O ATOM 433 CB ALA A 48 -3.019 -0.196 6.017 1.00 0.00 C ATOM 0 H ALA A 48 -2.500 -0.851 3.606 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.906 -0.530 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.128 -0.273 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.911 0.852 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.903 -0.611 5.533 1.00 0.00 H new ATOM 439 N ASN A 49 -1.593 -2.664 7.298 1.00 0.00 N ATOM 440 CA ASN A 49 -1.645 -4.011 7.853 1.00 0.00 C ATOM 441 C ASN A 49 -0.798 -4.974 7.026 1.00 0.00 C ATOM 442 O ASN A 49 -1.057 -6.176 6.995 1.00 0.00 O ATOM 443 CB ASN A 49 -3.091 -4.506 7.908 1.00 0.00 C ATOM 444 CG ASN A 49 -3.892 -3.833 9.006 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.331 -3.336 9.983 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.211 -3.814 8.850 1.00 0.00 N ATOM 0 H ASN A 49 -1.319 -1.943 7.966 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.240 -3.976 8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.572 -4.322 6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.097 -5.584 8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.802 -3.375 9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.633 -4.238 8.024 1.00 0.00 H new ATOM 453 N GLY A 50 0.218 -4.435 6.358 1.00 0.00 N ATOM 454 CA GLY A 50 1.089 -5.259 5.541 1.00 0.00 C ATOM 455 C GLY A 50 2.551 -5.094 5.902 1.00 0.00 C ATOM 456 O GLY A 50 2.928 -5.216 7.067 1.00 0.00 O ATOM 0 H GLY A 50 0.453 -3.442 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.806 -6.305 5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.946 -5.003 4.491 1.00 0.00 H new ATOM 460 N GLY A 51 3.379 -4.816 4.900 1.00 0.00 N ATOM 461 CA GLY A 51 4.799 -4.639 5.139 1.00 0.00 C ATOM 462 C GLY A 51 5.463 -5.904 5.647 1.00 0.00 C ATOM 463 O GLY A 51 4.799 -6.790 6.188 1.00 0.00 O ATOM 0 H GLY A 51 3.092 -4.710 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.283 -4.324 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.945 -3.839 5.865 1.00 0.00 H new ATOM 467 N LEU A 52 6.777 -5.992 5.474 1.00 0.00 N ATOM 468 CA LEU A 52 7.532 -7.159 5.916 1.00 0.00 C ATOM 469 C LEU A 52 7.107 -7.582 7.319 1.00 0.00 C ATOM 470 O LEU A 52 6.778 -8.743 7.555 1.00 0.00 O ATOM 471 CB LEU A 52 9.032 -6.859 5.894 1.00 0.00 C ATOM 472 CG LEU A 52 9.610 -6.428 4.547 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.951 -5.736 4.738 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.756 -7.627 3.620 1.00 0.00 C ATOM 0 H LEU A 52 7.342 -5.268 5.030 1.00 0.00 H new ATOM 0 HA LEU A 52 7.322 -7.979 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.236 -6.074 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.565 -7.749 6.227 1.00 0.00 H new ATOM 0 HG LEU A 52 8.920 -5.720 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.347 -5.436 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.819 -4.854 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.649 -6.421 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.169 -7.301 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.425 -8.358 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.779 -8.081 3.456 1.00 0.00 H new ATOM 486 N GLY A 53 7.114 -6.630 8.247 1.00 0.00 N ATOM 487 CA GLY A 53 6.725 -6.922 9.614 1.00 0.00 C ATOM 488 C GLY A 53 5.522 -7.841 9.690 1.00 0.00 C ATOM 489 O GLY A 53 5.411 -8.654 10.608 1.00 0.00 O ATOM 0 H GLY A 53 7.382 -5.661 8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.564 -7.382 10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.499 -5.990 10.132 1.00 0.00 H new ATOM 493 N ASN A 54 4.618 -7.712 8.724 1.00 0.00 N ATOM 494 CA ASN A 54 3.416 -8.537 8.687 1.00 0.00 C ATOM 495 C ASN A 54 3.665 -9.826 7.909 1.00 0.00 C ATOM 496 O ASN A 54 2.766 -10.349 7.251 1.00 0.00 O ATOM 497 CB ASN A 54 2.259 -7.761 8.055 1.00 0.00 C ATOM 498 CG ASN A 54 1.817 -6.586 8.906 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.635 -5.929 9.549 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.516 -6.319 8.915 1.00 0.00 N ATOM 0 H ASN A 54 4.695 -7.044 7.957 1.00 0.00 H new ATOM 0 HA ASN A 54 3.152 -8.798 9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.561 -7.400 7.072 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.415 -8.433 7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.159 -5.542 9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.126 -6.891 8.366 1.00 0.00 H new ATOM 507 N GLY A 55 4.891 -10.332 7.989 1.00 0.00 N ATOM 508 CA GLY A 55 5.236 -11.556 7.288 1.00 0.00 C ATOM 509 C GLY A 55 4.861 -11.508 5.820 1.00 0.00 C ATOM 510 O GLY A 55 4.610 -12.543 5.202 1.00 0.00 O ATOM 0 H GLY A 55 5.652 -9.917 8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.307 -11.735 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.730 -12.397 7.762 1.00 0.00 H new ATOM 514 N VAL A 56 4.823 -10.303 5.260 1.00 0.00 N ATOM 515 CA VAL A 56 4.475 -10.124 3.855 1.00 0.00 C ATOM 516 C VAL A 56 5.714 -9.834 3.015 1.00 0.00 C ATOM 517 O VAL A 56 6.251 -8.726 3.046 1.00 0.00 O ATOM 518 CB VAL A 56 3.462 -8.979 3.669 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.384 -8.568 2.206 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.094 -9.389 4.191 1.00 0.00 C ATOM 0 H VAL A 56 5.029 -9.437 5.757 1.00 0.00 H new ATOM 0 HA VAL A 56 4.022 -11.057 3.519 1.00 0.00 H new ATOM 0 HB VAL A 56 3.802 -8.118 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.663 -7.758 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.365 -8.231 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.068 -9.421 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.390 -8.568 4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.743 -10.264 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.166 -9.629 5.252 1.00 0.00 H new ATOM 530 N SER A 57 6.162 -10.836 2.266 1.00 0.00 N ATOM 531 CA SER A 57 7.341 -10.689 1.419 1.00 0.00 C ATOM 532 C SER A 57 6.991 -9.969 0.120 1.00 0.00 C ATOM 533 O SER A 57 5.833 -9.949 -0.298 1.00 0.00 O ATOM 534 CB SER A 57 7.946 -12.060 1.110 1.00 0.00 C ATOM 535 OG SER A 57 7.057 -12.846 0.336 1.00 0.00 O ATOM 0 H SER A 57 5.727 -11.758 2.228 1.00 0.00 H new ATOM 0 HA SER A 57 8.074 -10.090 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.886 -11.934 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.177 -12.577 2.041 1.00 0.00 H new ATOM 0 HG SER A 57 7.467 -13.716 0.150 1.00 0.00 H new ATOM 541 N ARG A 58 8.000 -9.380 -0.513 1.00 0.00 N ATOM 542 CA ARG A 58 7.800 -8.659 -1.764 1.00 0.00 C ATOM 543 C ARG A 58 7.262 -9.588 -2.848 1.00 0.00 C ATOM 544 O ARG A 58 6.388 -9.210 -3.626 1.00 0.00 O ATOM 545 CB ARG A 58 9.112 -8.022 -2.226 1.00 0.00 C ATOM 546 CG ARG A 58 9.079 -7.536 -3.666 1.00 0.00 C ATOM 547 CD ARG A 58 10.007 -6.349 -3.874 1.00 0.00 C ATOM 548 NE ARG A 58 11.413 -6.733 -3.792 1.00 0.00 N ATOM 549 CZ ARG A 58 12.401 -6.016 -4.316 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.138 -4.885 -4.955 1.00 0.00 N ATOM 551 NH2 ARG A 58 13.656 -6.431 -4.201 1.00 0.00 N ATOM 0 H ARG A 58 8.964 -9.388 -0.180 1.00 0.00 H new ATOM 0 HA ARG A 58 7.066 -7.873 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.348 -7.182 -1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.918 -8.748 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.370 -8.348 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.060 -7.254 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.810 -5.901 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.795 -5.587 -3.124 1.00 0.00 H new ATOM 0 HE ARG A 58 11.649 -7.598 -3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.175 -4.563 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.899 -4.337 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.863 -7.301 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.414 -5.880 -4.604 1.00 0.00 H new ATOM 565 N ASN A 59 7.794 -10.806 -2.892 1.00 0.00 N ATOM 566 CA ASN A 59 7.369 -11.790 -3.882 1.00 0.00 C ATOM 567 C ASN A 59 5.993 -12.351 -3.535 1.00 0.00 C ATOM 568 O ASN A 59 5.409 -13.110 -4.307 1.00 0.00 O ATOM 569 CB ASN A 59 8.388 -12.927 -3.971 1.00 0.00 C ATOM 570 CG ASN A 59 7.838 -14.141 -4.695 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.503 -15.148 -4.072 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.742 -14.050 -6.016 1.00 0.00 N ATOM 0 H ASN A 59 8.519 -11.135 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 59 7.305 -11.292 -4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.280 -12.572 -4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.695 -13.215 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.378 -14.835 -6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.032 -13.195 -6.491 1.00 0.00 H new ATOM 579 N GLN A 60 5.482 -11.972 -2.367 1.00 0.00 N ATOM 580 CA GLN A 60 4.176 -12.439 -1.918 1.00 0.00 C ATOM 581 C GLN A 60 3.147 -11.314 -1.978 1.00 0.00 C ATOM 582 O GLN A 60 1.941 -11.558 -1.918 1.00 0.00 O ATOM 583 CB GLN A 60 4.269 -12.986 -0.494 1.00 0.00 C ATOM 584 CG GLN A 60 2.928 -13.406 0.085 1.00 0.00 C ATOM 585 CD GLN A 60 2.262 -14.505 -0.719 1.00 0.00 C ATOM 586 OE1 GLN A 60 1.865 -14.296 -1.867 1.00 0.00 O ATOM 587 NE2 GLN A 60 2.136 -15.684 -0.122 1.00 0.00 N ATOM 0 H GLN A 60 5.952 -11.344 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 60 3.854 -13.238 -2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.943 -13.843 -0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.711 -12.226 0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.070 -13.747 1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.267 -12.540 0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.479 -15.813 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.696 -16.461 -0.615 1.00 0.00 H new ATOM 596 N LEU A 61 3.631 -10.082 -2.093 1.00 0.00 N ATOM 597 CA LEU A 61 2.753 -8.919 -2.160 1.00 0.00 C ATOM 598 C LEU A 61 2.723 -8.340 -3.571 1.00 0.00 C ATOM 599 O LEU A 61 1.671 -7.925 -4.061 1.00 0.00 O ATOM 600 CB LEU A 61 3.213 -7.851 -1.167 1.00 0.00 C ATOM 601 CG LEU A 61 2.169 -6.804 -0.776 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.954 -7.470 -0.148 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.770 -5.781 0.178 1.00 0.00 C ATOM 0 H LEU A 61 4.626 -9.863 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 61 1.745 -9.240 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.555 -8.350 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.074 -7.335 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 61 1.848 -6.285 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.222 -6.709 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.509 -8.163 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.259 -8.015 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.013 -5.044 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.120 -6.285 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.608 -5.280 -0.306 1.00 0.00 H new ATOM 615 N LEU A 62 3.882 -8.315 -4.219 1.00 0.00 N ATOM 616 CA LEU A 62 3.989 -7.788 -5.575 1.00 0.00 C ATOM 617 C LEU A 62 3.044 -8.523 -6.521 1.00 0.00 C ATOM 618 O LEU A 62 2.375 -7.921 -7.361 1.00 0.00 O ATOM 619 CB LEU A 62 5.428 -7.910 -6.079 1.00 0.00 C ATOM 620 CG LEU A 62 5.614 -7.878 -7.596 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.358 -6.479 -8.136 1.00 0.00 C ATOM 622 CD2 LEU A 62 7.011 -8.350 -7.972 1.00 0.00 C ATOM 0 H LEU A 62 4.761 -8.653 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 62 3.706 -6.736 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.014 -7.100 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.846 -8.843 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 62 4.890 -8.557 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.495 -6.476 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.337 -6.178 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.058 -5.779 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.126 -8.321 -9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.752 -7.697 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.157 -9.371 -7.619 1.00 0.00 H new ATOM 634 N PRO A 63 2.985 -9.855 -6.381 1.00 0.00 N ATOM 635 CA PRO A 63 2.123 -10.701 -7.213 1.00 0.00 C ATOM 636 C PRO A 63 0.699 -10.163 -7.306 1.00 0.00 C ATOM 637 O PRO A 63 0.051 -10.271 -8.346 1.00 0.00 O ATOM 638 CB PRO A 63 2.139 -12.047 -6.486 1.00 0.00 C ATOM 639 CG PRO A 63 3.431 -12.062 -5.743 1.00 0.00 C ATOM 640 CD PRO A 63 3.755 -10.639 -5.401 1.00 0.00 C ATOM 0 HA PRO A 63 2.475 -10.753 -8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.291 -12.140 -5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.077 -12.877 -7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.350 -12.667 -4.840 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.221 -12.502 -6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.464 -10.398 -4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.824 -10.442 -5.483 1.00 0.00 H new ATOM 648 N VAL A 64 0.218 -9.582 -6.212 1.00 0.00 N ATOM 649 CA VAL A 64 -1.129 -9.026 -6.171 1.00 0.00 C ATOM 650 C VAL A 64 -1.172 -7.642 -6.810 1.00 0.00 C ATOM 651 O VAL A 64 -2.179 -7.251 -7.400 1.00 0.00 O ATOM 652 CB VAL A 64 -1.652 -8.928 -4.725 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.089 -8.430 -4.709 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.536 -10.274 -4.024 1.00 0.00 C ATOM 0 H VAL A 64 0.741 -9.484 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.769 -9.704 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.038 -8.208 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.441 -8.367 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.137 -7.443 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.720 -9.122 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.910 -10.186 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.124 -11.017 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.491 -10.584 -4.002 1.00 0.00 H new ATOM 664 N LEU A 65 -0.072 -6.908 -6.690 1.00 0.00 N ATOM 665 CA LEU A 65 0.017 -5.566 -7.258 1.00 0.00 C ATOM 666 C LEU A 65 0.303 -5.626 -8.754 1.00 0.00 C ATOM 667 O LEU A 65 0.186 -4.624 -9.458 1.00 0.00 O ATOM 668 CB LEU A 65 1.112 -4.764 -6.550 1.00 0.00 C ATOM 669 CG LEU A 65 0.968 -4.627 -5.034 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.294 -4.219 -4.408 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.118 -3.620 -4.689 1.00 0.00 C ATOM 0 H LEU A 65 0.770 -7.218 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.943 -5.071 -7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.073 -5.232 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.141 -3.765 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 65 0.678 -5.596 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.173 -4.126 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.047 -4.976 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.612 -3.262 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.206 -3.536 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.141 -2.648 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.069 -3.953 -5.105 1.00 0.00 H new ATOM 683 N GLU A 66 0.675 -6.809 -9.234 1.00 0.00 N ATOM 684 CA GLU A 66 0.975 -6.999 -10.649 1.00 0.00 C ATOM 685 C GLU A 66 -0.286 -7.365 -11.427 1.00 0.00 C ATOM 686 O GLU A 66 -0.524 -6.853 -12.521 1.00 0.00 O ATOM 687 CB GLU A 66 2.032 -8.090 -10.826 1.00 0.00 C ATOM 688 CG GLU A 66 3.433 -7.650 -10.436 1.00 0.00 C ATOM 689 CD GLU A 66 4.512 -8.375 -11.216 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.381 -8.478 -12.454 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.486 -8.841 -10.589 1.00 0.00 O ATOM 0 H GLU A 66 0.776 -7.649 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 66 1.364 -6.060 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.752 -8.956 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.038 -8.412 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.531 -6.577 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.581 -7.825 -9.370 1.00 0.00 H new ATOM 698 N LYS A 67 -1.088 -8.256 -10.856 1.00 0.00 N ATOM 699 CA LYS A 67 -2.325 -8.691 -11.495 1.00 0.00 C ATOM 700 C LYS A 67 -3.293 -7.524 -11.658 1.00 0.00 C ATOM 701 O LYS A 67 -4.032 -7.452 -12.642 1.00 0.00 O ATOM 702 CB LYS A 67 -2.983 -9.803 -10.673 1.00 0.00 C ATOM 703 CG LYS A 67 -3.251 -9.414 -9.229 1.00 0.00 C ATOM 704 CD LYS A 67 -4.439 -10.171 -8.660 1.00 0.00 C ATOM 705 CE LYS A 67 -4.402 -10.205 -7.140 1.00 0.00 C ATOM 706 NZ LYS A 67 -3.657 -11.389 -6.629 1.00 0.00 N ATOM 0 H LYS A 67 -0.904 -8.691 -9.952 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.078 -9.076 -12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.924 -10.084 -11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.342 -10.684 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.366 -9.617 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.438 -8.342 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.364 -9.701 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.442 -11.190 -9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.934 -9.293 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.421 -10.222 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.783 -11.460 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.021 -12.251 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.646 -11.284 -6.848 1.00 0.00 H new ATOM 720 N CYS A 68 -3.285 -6.614 -10.690 1.00 0.00 N ATOM 721 CA CYS A 68 -4.162 -5.449 -10.728 1.00 0.00 C ATOM 722 C CYS A 68 -3.661 -4.423 -11.739 1.00 0.00 C ATOM 723 O CYS A 68 -4.434 -3.887 -12.531 1.00 0.00 O ATOM 724 CB CYS A 68 -4.259 -4.813 -9.341 1.00 0.00 C ATOM 725 SG CYS A 68 -5.575 -5.495 -8.306 1.00 0.00 S ATOM 0 H CYS A 68 -2.681 -6.660 -9.869 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.153 -5.781 -11.037 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.306 -4.939 -8.828 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.420 -3.741 -9.455 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.284 -4.525 -7.811 1.00 0.00 H new ATOM 731 N GLY A 69 -2.359 -4.153 -11.703 1.00 0.00 N ATOM 732 CA GLY A 69 -1.777 -3.190 -12.620 1.00 0.00 C ATOM 733 C GLY A 69 -0.267 -3.307 -12.702 1.00 0.00 C ATOM 734 O GLY A 69 0.330 -4.177 -12.068 1.00 0.00 O ATOM 0 H GLY A 69 -1.698 -4.583 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.204 -3.334 -13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.044 -2.182 -12.301 1.00 0.00 H new ATOM 738 N LEU A 70 0.350 -2.430 -13.485 1.00 0.00 N ATOM 739 CA LEU A 70 1.800 -2.439 -13.650 1.00 0.00 C ATOM 740 C LEU A 70 2.491 -1.847 -12.427 1.00 0.00 C ATOM 741 O LEU A 70 2.226 -0.708 -12.041 1.00 0.00 O ATOM 742 CB LEU A 70 2.196 -1.656 -14.903 1.00 0.00 C ATOM 743 CG LEU A 70 1.845 -2.308 -16.240 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.956 -1.299 -17.373 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.746 -3.507 -16.503 1.00 0.00 C ATOM 0 H LEU A 70 -0.130 -1.703 -14.016 1.00 0.00 H new ATOM 0 HA LEU A 70 2.122 -3.475 -13.760 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.718 -0.677 -14.862 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.272 -1.486 -14.876 1.00 0.00 H new ATOM 0 HG LEU A 70 0.814 -2.657 -16.191 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.702 -1.782 -18.317 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.269 -0.472 -17.192 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.976 -0.919 -17.423 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.481 -3.958 -17.459 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.786 -3.182 -16.531 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.617 -4.241 -15.707 1.00 0.00 H new ATOM 757 N VAL A 71 3.380 -2.626 -11.819 1.00 0.00 N ATOM 758 CA VAL A 71 4.112 -2.177 -10.641 1.00 0.00 C ATOM 759 C VAL A 71 5.431 -1.519 -11.032 1.00 0.00 C ATOM 760 O VAL A 71 6.392 -2.198 -11.394 1.00 0.00 O ATOM 761 CB VAL A 71 4.399 -3.345 -9.680 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.234 -2.874 -8.499 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.099 -3.977 -9.205 1.00 0.00 C ATOM 0 H VAL A 71 3.611 -3.572 -12.123 1.00 0.00 H new ATOM 0 HA VAL A 71 3.481 -1.447 -10.135 1.00 0.00 H new ATOM 0 HB VAL A 71 4.969 -4.102 -10.218 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.426 -3.714 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.181 -2.473 -8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.694 -2.097 -7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.321 -4.801 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.500 -3.230 -8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.543 -4.354 -10.063 1.00 0.00 H new ATOM 773 N ASP A 72 5.470 -0.194 -10.954 1.00 0.00 N ATOM 774 CA ASP A 72 6.671 0.557 -11.297 1.00 0.00 C ATOM 775 C ASP A 72 7.741 0.392 -10.223 1.00 0.00 C ATOM 776 O ASP A 72 8.889 0.061 -10.520 1.00 0.00 O ATOM 777 CB ASP A 72 6.338 2.039 -11.478 1.00 0.00 C ATOM 778 CG ASP A 72 7.294 2.735 -12.427 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.512 2.473 -12.342 1.00 0.00 O ATOM 780 OD2 ASP A 72 6.824 3.544 -13.255 1.00 0.00 O ATOM 0 H ASP A 72 4.683 0.382 -10.656 1.00 0.00 H new ATOM 0 HA ASP A 72 7.060 0.162 -12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.320 2.136 -11.856 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.367 2.536 -10.508 1.00 0.00 H new ATOM 785 N ALA A 73 7.358 0.626 -8.971 1.00 0.00 N ATOM 786 CA ALA A 73 8.284 0.502 -7.853 1.00 0.00 C ATOM 787 C ALA A 73 7.538 0.237 -6.549 1.00 0.00 C ATOM 788 O ALA A 73 6.683 1.025 -6.140 1.00 0.00 O ATOM 789 CB ALA A 73 9.135 1.756 -7.730 1.00 0.00 C ATOM 0 H ALA A 73 6.412 0.902 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 73 8.937 -0.349 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.822 1.649 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.704 1.901 -8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.490 2.619 -7.563 1.00 0.00 H new ATOM 795 N LEU A 74 7.864 -0.876 -5.901 1.00 0.00 N ATOM 796 CA LEU A 74 7.223 -1.245 -4.644 1.00 0.00 C ATOM 797 C LEU A 74 8.182 -1.066 -3.472 1.00 0.00 C ATOM 798 O LEU A 74 9.051 -1.906 -3.231 1.00 0.00 O ATOM 799 CB LEU A 74 6.738 -2.695 -4.702 1.00 0.00 C ATOM 800 CG LEU A 74 6.409 -3.347 -3.359 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.133 -2.758 -2.778 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.280 -4.855 -3.516 1.00 0.00 C ATOM 0 H LEU A 74 8.568 -1.539 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 74 6.367 -0.587 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.848 -2.734 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.503 -3.294 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 74 7.226 -3.143 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.915 -3.234 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.262 -1.686 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.306 -2.931 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.046 -5.303 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.482 -5.080 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.220 -5.264 -3.887 1.00 0.00 H new ATOM 814 N LEU A 75 8.019 0.034 -2.743 1.00 0.00 N ATOM 815 CA LEU A 75 8.869 0.324 -1.594 1.00 0.00 C ATOM 816 C LEU A 75 8.396 -0.440 -0.361 1.00 0.00 C ATOM 817 O LEU A 75 7.253 -0.293 0.071 1.00 0.00 O ATOM 818 CB LEU A 75 8.876 1.825 -1.305 1.00 0.00 C ATOM 819 CG LEU A 75 9.756 2.282 -0.141 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.225 2.218 -0.526 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.377 3.690 0.295 1.00 0.00 C ATOM 0 H LEU A 75 7.306 0.739 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 75 9.883 0.002 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.201 2.346 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.852 2.141 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 75 9.592 1.608 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.836 2.547 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.488 1.193 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.405 2.868 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.014 3.998 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.511 4.378 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.335 3.704 0.614 1.00 0.00 H new ATOM 833 N MET A 76 9.284 -1.254 0.201 1.00 0.00 N ATOM 834 CA MET A 76 8.957 -2.038 1.387 1.00 0.00 C ATOM 835 C MET A 76 9.952 -1.765 2.510 1.00 0.00 C ATOM 836 O MET A 76 11.030 -2.357 2.574 1.00 0.00 O ATOM 837 CB MET A 76 8.946 -3.531 1.050 1.00 0.00 C ATOM 838 CG MET A 76 7.800 -3.940 0.141 1.00 0.00 C ATOM 839 SD MET A 76 7.562 -5.727 0.084 1.00 0.00 S ATOM 840 CE MET A 76 6.553 -5.980 1.542 1.00 0.00 C ATOM 0 H MET A 76 10.234 -1.388 -0.145 1.00 0.00 H new ATOM 0 HA MET A 76 7.964 -1.742 1.726 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.890 -3.794 0.572 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.887 -4.104 1.976 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.881 -3.466 0.486 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.991 -3.570 -0.867 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.136 -6.499 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.227 -5.015 1.931 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.681 -6.580 1.281 1.00 0.00 H new ATOM 850 N PRO A 77 9.585 -0.848 3.417 1.00 0.00 N ATOM 851 CA PRO A 77 10.433 -0.477 4.555 1.00 0.00 C ATOM 852 C PRO A 77 10.543 -1.595 5.585 1.00 0.00 C ATOM 853 O PRO A 77 9.566 -2.267 5.914 1.00 0.00 O ATOM 854 CB PRO A 77 9.712 0.734 5.153 1.00 0.00 C ATOM 855 CG PRO A 77 8.287 0.563 4.750 1.00 0.00 C ATOM 856 CD PRO A 77 8.315 -0.103 3.403 1.00 0.00 C ATOM 0 HA PRO A 77 11.459 -0.272 4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.816 0.761 6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.123 1.668 4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.747 -0.046 5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.778 1.525 4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.461 -0.767 3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.286 0.626 2.593 1.00 0.00 H new ATOM 864 N PRO A 78 11.760 -1.800 6.109 1.00 0.00 N ATOM 865 CA PRO A 78 12.027 -2.837 7.111 1.00 0.00 C ATOM 866 C PRO A 78 11.393 -2.515 8.460 1.00 0.00 C ATOM 867 O PRO A 78 11.302 -1.352 8.852 1.00 0.00 O ATOM 868 CB PRO A 78 13.554 -2.837 7.224 1.00 0.00 C ATOM 869 CG PRO A 78 13.964 -1.467 6.807 1.00 0.00 C ATOM 870 CD PRO A 78 12.971 -1.036 5.764 1.00 0.00 C ATOM 0 HA PRO A 78 11.608 -3.801 6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.876 -3.054 8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.999 -3.596 6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.960 -0.783 7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.977 -1.469 6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.792 0.039 5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.319 -1.268 4.758 1.00 0.00 H new ATOM 878 N ASN A 79 10.958 -3.552 9.167 1.00 0.00 N ATOM 879 CA ASN A 79 10.332 -3.379 10.473 1.00 0.00 C ATOM 880 C ASN A 79 9.164 -2.402 10.392 1.00 0.00 C ATOM 881 O ASN A 79 8.938 -1.608 11.305 1.00 0.00 O ATOM 882 CB ASN A 79 11.359 -2.879 11.491 1.00 0.00 C ATOM 883 CG ASN A 79 11.047 -3.341 12.902 1.00 0.00 C ATOM 884 OD1 ASN A 79 10.893 -2.527 13.812 1.00 0.00 O ATOM 885 ND2 ASN A 79 10.953 -4.652 13.088 1.00 0.00 N ATOM 0 H ASN A 79 11.027 -4.522 8.858 1.00 0.00 H new ATOM 0 HA ASN A 79 9.950 -4.348 10.796 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.350 -3.232 11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.390 -1.790 11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.745 -5.022 14.016 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.088 -5.289 12.303 1.00 0.00 H new ATOM 892 N LYS A 80 8.421 -2.467 9.291 1.00 0.00 N ATOM 893 CA LYS A 80 7.273 -1.590 9.089 1.00 0.00 C ATOM 894 C LYS A 80 6.078 -2.373 8.555 1.00 0.00 C ATOM 895 O LYS A 80 6.139 -3.002 7.499 1.00 0.00 O ATOM 896 CB LYS A 80 7.632 -0.463 8.119 1.00 0.00 C ATOM 897 CG LYS A 80 8.568 0.577 8.713 1.00 0.00 C ATOM 898 CD LYS A 80 7.901 1.347 9.840 1.00 0.00 C ATOM 899 CE LYS A 80 8.795 2.466 10.354 1.00 0.00 C ATOM 900 NZ LYS A 80 9.541 3.131 9.252 1.00 0.00 N ATOM 0 H LYS A 80 8.594 -3.118 8.525 1.00 0.00 H new ATOM 0 HA LYS A 80 7.002 -1.159 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.097 -0.893 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.716 0.029 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.467 0.087 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.884 1.271 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.958 1.765 9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.663 0.666 10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.188 3.204 10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.502 2.062 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.976 4.007 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.283 2.493 8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.886 3.359 8.477 1.00 0.00 H new ATOM 914 N PRO A 81 4.964 -2.334 9.301 1.00 0.00 N ATOM 915 CA PRO A 81 3.732 -3.033 8.921 1.00 0.00 C ATOM 916 C PRO A 81 3.060 -2.403 7.706 1.00 0.00 C ATOM 917 O PRO A 81 2.065 -2.920 7.198 1.00 0.00 O ATOM 918 CB PRO A 81 2.846 -2.887 10.159 1.00 0.00 C ATOM 919 CG PRO A 81 3.341 -1.657 10.838 1.00 0.00 C ATOM 920 CD PRO A 81 4.820 -1.605 10.571 1.00 0.00 C ATOM 0 HA PRO A 81 3.921 -4.068 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.795 -2.792 9.885 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.928 -3.758 10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.843 -0.769 10.449 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.138 -1.693 11.908 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.177 -0.579 10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.390 -2.077 11.372 1.00 0.00 H new ATOM 928 N TYR A 82 3.609 -1.285 7.244 1.00 0.00 N ATOM 929 CA TYR A 82 3.061 -0.584 6.090 1.00 0.00 C ATOM 930 C TYR A 82 4.095 -0.481 4.973 1.00 0.00 C ATOM 931 O TYR A 82 5.299 -0.519 5.222 1.00 0.00 O ATOM 932 CB TYR A 82 2.588 0.813 6.494 1.00 0.00 C ATOM 933 CG TYR A 82 3.693 1.694 7.034 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.563 2.355 6.175 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.867 1.864 8.401 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.574 3.160 6.664 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.874 2.668 8.899 1.00 0.00 C ATOM 938 CZ TYR A 82 5.725 3.313 8.027 1.00 0.00 C ATOM 939 OH TYR A 82 6.730 4.113 8.518 1.00 0.00 O ATOM 0 H TYR A 82 4.434 -0.845 7.652 1.00 0.00 H new ATOM 0 HA TYR A 82 2.210 -1.156 5.720 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.137 1.299 5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.808 0.719 7.249 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.447 2.238 5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.203 1.359 9.087 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.242 3.667 5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.994 2.791 9.965 1.00 0.00 H new ATOM 0 HH TYR A 82 6.698 4.114 9.497 1.00 0.00 H new ATOM 949 N SER A 83 3.614 -0.350 3.741 1.00 0.00 N ATOM 950 CA SER A 83 4.495 -0.244 2.584 1.00 0.00 C ATOM 951 C SER A 83 3.937 0.744 1.564 1.00 0.00 C ATOM 952 O SER A 83 2.795 1.191 1.676 1.00 0.00 O ATOM 953 CB SER A 83 4.684 -1.616 1.933 1.00 0.00 C ATOM 954 OG SER A 83 5.446 -2.474 2.763 1.00 0.00 O ATOM 0 H SER A 83 2.619 -0.315 3.518 1.00 0.00 H new ATOM 0 HA SER A 83 5.462 0.124 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.711 -2.066 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.182 -1.500 0.970 1.00 0.00 H new ATOM 0 HG SER A 83 5.674 -2.007 3.594 1.00 0.00 H new ATOM 960 N PHE A 84 4.750 1.080 0.568 1.00 0.00 N ATOM 961 CA PHE A 84 4.339 2.015 -0.472 1.00 0.00 C ATOM 962 C PHE A 84 4.574 1.424 -1.859 1.00 0.00 C ATOM 963 O PHE A 84 5.694 1.046 -2.203 1.00 0.00 O ATOM 964 CB PHE A 84 5.100 3.334 -0.332 1.00 0.00 C ATOM 965 CG PHE A 84 5.135 3.859 1.074 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.066 4.577 1.586 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.237 3.637 1.884 1.00 0.00 C ATOM 968 CE1 PHE A 84 4.094 5.061 2.880 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.271 4.119 3.180 1.00 0.00 C ATOM 970 CZ PHE A 84 5.198 4.833 3.678 1.00 0.00 C ATOM 0 H PHE A 84 5.698 0.718 0.459 1.00 0.00 H new ATOM 0 HA PHE A 84 3.272 2.205 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.122 3.194 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.639 4.081 -0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.201 4.760 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.079 3.081 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.253 5.617 3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.135 3.938 3.802 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.223 5.212 4.689 1.00 0.00 H new ATOM 980 N ALA A 85 3.510 1.346 -2.652 1.00 0.00 N ATOM 981 CA ALA A 85 3.600 0.802 -4.001 1.00 0.00 C ATOM 982 C ALA A 85 3.382 1.891 -5.046 1.00 0.00 C ATOM 983 O ALA A 85 2.512 2.747 -4.893 1.00 0.00 O ATOM 984 CB ALA A 85 2.590 -0.320 -4.187 1.00 0.00 C ATOM 0 H ALA A 85 2.575 1.653 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 85 4.603 0.398 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.669 -0.716 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.793 -1.115 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.583 0.066 -4.026 1.00 0.00 H new ATOM 990 N ARG A 86 4.179 1.850 -6.109 1.00 0.00 N ATOM 991 CA ARG A 86 4.074 2.835 -7.180 1.00 0.00 C ATOM 992 C ARG A 86 3.681 2.168 -8.495 1.00 0.00 C ATOM 993 O ARG A 86 4.363 1.260 -8.971 1.00 0.00 O ATOM 994 CB ARG A 86 5.400 3.578 -7.349 1.00 0.00 C ATOM 995 CG ARG A 86 5.244 4.983 -7.911 1.00 0.00 C ATOM 996 CD ARG A 86 6.344 5.907 -7.413 1.00 0.00 C ATOM 997 NE ARG A 86 6.660 6.954 -8.382 1.00 0.00 N ATOM 998 CZ ARG A 86 7.662 7.813 -8.235 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.443 7.750 -7.165 1.00 0.00 N ATOM 1000 NH2 ARG A 86 7.886 8.737 -9.160 1.00 0.00 N ATOM 0 H ARG A 86 4.904 1.146 -6.252 1.00 0.00 H new ATOM 0 HA ARG A 86 3.297 3.549 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.900 3.636 -6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.048 3.002 -8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.265 4.945 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.272 5.385 -7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.035 6.364 -6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.241 5.324 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 86 6.079 7.029 -9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.275 7.040 -6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.212 8.411 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.288 8.788 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.656 9.396 -9.046 1.00 0.00 H new ATOM 1014 N TYR A 87 2.578 2.625 -9.077 1.00 0.00 N ATOM 1015 CA TYR A 87 2.091 2.071 -10.335 1.00 0.00 C ATOM 1016 C TYR A 87 2.608 2.880 -11.521 1.00 0.00 C ATOM 1017 O TYR A 87 3.371 3.832 -11.354 1.00 0.00 O ATOM 1018 CB TYR A 87 0.563 2.045 -10.348 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.030 0.884 -9.582 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.231 -0.347 -10.192 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.388 1.019 -8.246 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.773 -1.410 -9.496 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -0.929 -0.039 -7.541 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.119 -1.251 -8.170 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.658 -2.308 -7.473 1.00 0.00 O ATOM 0 H TYR A 87 2.004 3.378 -8.698 1.00 0.00 H new ATOM 0 HA TYR A 87 2.465 1.051 -10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.189 2.977 -9.925 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.218 2.002 -11.381 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.041 -0.476 -11.229 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.241 1.967 -7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.925 -2.360 -9.987 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.201 0.083 -6.503 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.625 -2.117 -6.512 1.00 0.00 H new ATOM 1035 N ARG A 88 2.184 2.494 -12.720 1.00 0.00 N ATOM 1036 CA ARG A 88 2.603 3.182 -13.937 1.00 0.00 C ATOM 1037 C ARG A 88 1.555 4.201 -14.373 1.00 0.00 C ATOM 1038 O ARG A 88 1.888 5.258 -14.911 1.00 0.00 O ATOM 1039 CB ARG A 88 2.848 2.173 -15.059 1.00 0.00 C ATOM 1040 CG ARG A 88 3.206 2.816 -16.389 1.00 0.00 C ATOM 1041 CD ARG A 88 4.620 3.375 -16.375 1.00 0.00 C ATOM 1042 NE ARG A 88 5.119 3.638 -17.721 1.00 0.00 N ATOM 1043 CZ ARG A 88 6.303 4.185 -17.973 1.00 0.00 C ATOM 1044 NH1 ARG A 88 7.106 4.525 -16.974 1.00 0.00 N ATOM 1045 NH2 ARG A 88 6.687 4.393 -19.227 1.00 0.00 N ATOM 0 H ARG A 88 1.551 1.709 -12.875 1.00 0.00 H new ATOM 0 HA ARG A 88 3.532 3.711 -13.725 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.653 1.500 -14.762 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.954 1.563 -15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.113 2.080 -17.187 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.499 3.616 -16.609 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.639 4.298 -15.795 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.283 2.670 -15.874 1.00 0.00 H new ATOM 0 HE ARG A 88 4.526 3.388 -18.512 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.815 4.367 -16.009 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.015 4.945 -17.170 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.073 4.133 -19.998 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.596 4.813 -19.419 1.00 0.00 H new ATOM 1059 N THR A 89 0.288 3.877 -14.138 1.00 0.00 N ATOM 1060 CA THR A 89 -0.809 4.763 -14.508 1.00 0.00 C ATOM 1061 C THR A 89 -1.855 4.834 -13.402 1.00 0.00 C ATOM 1062 O THR A 89 -2.370 3.810 -12.952 1.00 0.00 O ATOM 1063 CB THR A 89 -1.488 4.302 -15.812 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.955 2.955 -15.671 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.523 4.389 -16.985 1.00 0.00 C ATOM 0 H THR A 89 -0.004 3.007 -13.693 1.00 0.00 H new ATOM 0 HA THR A 89 -0.378 5.752 -14.661 1.00 0.00 H new ATOM 0 HB THR A 89 -2.334 4.961 -16.008 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.387 2.670 -16.503 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.025 4.058 -17.894 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.192 5.420 -17.108 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.340 3.751 -16.794 1.00 0.00 H new ATOM 1073 N THR A 90 -2.167 6.051 -12.967 1.00 0.00 N ATOM 1074 CA THR A 90 -3.152 6.256 -11.912 1.00 0.00 C ATOM 1075 C THR A 90 -4.258 5.210 -11.982 1.00 0.00 C ATOM 1076 O THR A 90 -4.509 4.494 -11.013 1.00 0.00 O ATOM 1077 CB THR A 90 -3.782 7.659 -11.997 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.839 8.588 -12.544 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.231 8.134 -10.624 1.00 0.00 C ATOM 0 H THR A 90 -1.752 6.909 -13.329 1.00 0.00 H new ATOM 0 HA THR A 90 -2.624 6.160 -10.963 1.00 0.00 H new ATOM 0 HB THR A 90 -4.654 7.602 -12.648 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.248 9.477 -12.596 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.673 9.127 -10.709 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.971 7.441 -10.223 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.372 8.175 -9.954 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.916 5.126 -13.133 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.996 4.166 -13.329 1.00 0.00 C ATOM 1089 C GLU A 91 -5.705 2.863 -12.590 1.00 0.00 C ATOM 1090 O GLU A 91 -6.547 2.355 -11.851 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.198 3.886 -14.819 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.513 5.129 -15.634 1.00 0.00 C ATOM 1093 CD GLU A 91 -8.000 5.420 -15.702 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -8.780 4.474 -15.938 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -8.383 6.595 -15.520 1.00 0.00 O ATOM 0 H GLU A 91 -4.720 5.712 -13.945 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.910 4.599 -12.922 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.298 3.419 -15.218 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.009 3.168 -14.939 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.998 5.985 -15.198 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.124 5.005 -16.645 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.506 2.327 -12.798 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.104 1.083 -12.153 1.00 0.00 C ATOM 1104 C GLU A 92 -4.100 1.233 -10.635 1.00 0.00 C ATOM 1105 O GLU A 92 -4.657 0.403 -9.917 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.717 0.656 -12.638 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.652 0.380 -14.130 1.00 0.00 C ATOM 1108 CD GLU A 92 -1.229 0.294 -14.646 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -0.323 0.848 -13.988 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -1.020 -0.326 -15.711 1.00 0.00 O ATOM 0 H GLU A 92 -3.797 2.735 -13.408 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.828 0.314 -12.422 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.998 1.437 -12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.413 -0.240 -12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.170 -0.555 -14.346 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.181 1.168 -14.665 1.00 0.00 H new ATOM 1117 N SER A 93 -3.468 2.298 -10.153 1.00 0.00 N ATOM 1118 CA SER A 93 -3.386 2.556 -8.720 1.00 0.00 C ATOM 1119 C SER A 93 -4.772 2.518 -8.082 1.00 0.00 C ATOM 1120 O SER A 93 -5.005 1.790 -7.118 1.00 0.00 O ATOM 1121 CB SER A 93 -2.730 3.913 -8.461 1.00 0.00 C ATOM 1122 OG SER A 93 -3.196 4.482 -7.249 1.00 0.00 O ATOM 0 H SER A 93 -3.005 2.997 -10.734 1.00 0.00 H new ATOM 0 HA SER A 93 -2.775 1.774 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.647 3.795 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.944 4.588 -9.289 1.00 0.00 H new ATOM 0 HG SER A 93 -2.635 5.249 -7.011 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.690 3.309 -8.628 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.053 3.367 -8.115 1.00 0.00 C ATOM 1130 C LYS A 94 -7.678 1.977 -8.072 1.00 0.00 C ATOM 1131 O LYS A 94 -8.251 1.575 -7.059 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.906 4.296 -8.983 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.520 5.759 -8.871 1.00 0.00 C ATOM 1134 CD LYS A 94 -8.064 6.572 -10.034 1.00 0.00 C ATOM 1135 CE LYS A 94 -7.131 6.522 -11.234 1.00 0.00 C ATOM 1136 NZ LYS A 94 -7.873 6.639 -12.520 1.00 0.00 N ATOM 0 H LYS A 94 -5.514 3.919 -9.426 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.017 3.760 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.821 3.986 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.953 4.183 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.900 6.165 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.434 5.848 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.045 6.191 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.202 7.607 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.402 7.329 -11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.573 5.586 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.197 6.652 -13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.515 5.827 -12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.426 7.520 -12.523 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.563 1.246 -9.177 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.116 -0.099 -9.264 1.00 0.00 C ATOM 1152 C ARG A 95 -7.689 -0.941 -8.065 1.00 0.00 C ATOM 1153 O ARG A 95 -8.504 -1.639 -7.462 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.668 -0.774 -10.561 1.00 0.00 C ATOM 1155 CG ARG A 95 -7.887 -2.279 -10.571 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.100 -2.948 -11.688 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.872 -3.032 -12.925 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.993 -2.028 -13.786 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -7.396 -0.869 -13.545 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.712 -2.182 -14.891 1.00 0.00 N ATOM 0 H ARG A 95 -7.092 1.564 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.203 -0.019 -9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.209 -0.331 -11.397 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.610 -0.568 -10.721 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.586 -2.698 -9.611 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.949 -2.493 -10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.182 -2.389 -11.870 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.806 -3.950 -11.375 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.344 -3.910 -13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.842 -0.747 -12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.490 -0.099 -14.208 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.173 -3.072 -15.080 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.804 -1.410 -15.551 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.406 -0.871 -7.727 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.872 -1.625 -6.599 1.00 0.00 C ATOM 1176 C ALA A 96 -6.331 -1.030 -5.273 1.00 0.00 C ATOM 1177 O ALA A 96 -6.541 -1.752 -4.297 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.352 -1.665 -6.665 1.00 0.00 C ATOM 0 H ALA A 96 -5.717 -0.300 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.255 -2.644 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.966 -2.231 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.041 -2.144 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.960 -0.649 -6.632 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.484 0.289 -5.243 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.916 0.980 -4.035 1.00 0.00 C ATOM 1186 C TYR A 97 -8.338 0.579 -3.655 1.00 0.00 C ATOM 1187 O TYR A 97 -8.653 0.404 -2.477 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.838 2.495 -4.234 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.660 3.280 -3.237 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.188 3.517 -1.952 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.908 3.786 -3.581 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.937 4.234 -1.037 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.662 4.504 -2.673 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.173 4.725 -1.403 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.920 5.440 -0.495 1.00 0.00 O ATOM 0 H TYR A 97 -6.315 0.901 -6.042 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.248 0.691 -3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.797 2.809 -4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.175 2.738 -5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.220 3.135 -1.663 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.295 3.615 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.556 4.409 -0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.630 4.890 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.764 5.715 -0.910 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.194 0.433 -4.661 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.582 0.050 -4.435 1.00 0.00 C ATOM 1207 C VAL A 98 -10.741 -1.466 -4.436 1.00 0.00 C ATOM 1208 O VAL A 98 -11.727 -1.999 -3.926 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.512 0.654 -5.505 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.968 0.509 -5.089 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.162 2.113 -5.752 1.00 0.00 C ATOM 0 H VAL A 98 -8.950 0.574 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.863 0.441 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.369 0.107 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.610 0.941 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.208 -0.547 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.130 1.029 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.829 2.524 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.275 2.676 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.131 2.186 -6.097 1.00 0.00 H new ATOM 1221 N THR A 99 -9.763 -2.158 -5.013 1.00 0.00 N ATOM 1222 CA THR A 99 -9.794 -3.614 -5.081 1.00 0.00 C ATOM 1223 C THR A 99 -9.010 -4.234 -3.931 1.00 0.00 C ATOM 1224 O THR A 99 -9.576 -4.924 -3.082 1.00 0.00 O ATOM 1225 CB THR A 99 -9.217 -4.125 -6.415 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.066 -3.730 -7.499 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.080 -5.640 -6.399 1.00 0.00 C ATOM 0 H THR A 99 -8.940 -1.733 -5.440 1.00 0.00 H new ATOM 0 HA THR A 99 -10.840 -3.913 -5.007 1.00 0.00 H new ATOM 0 HB THR A 99 -8.228 -3.687 -6.550 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.782 -2.854 -7.834 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.671 -5.978 -7.351 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.411 -5.936 -5.591 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.060 -6.092 -6.244 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.705 -3.987 -3.908 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.843 -4.521 -2.860 1.00 0.00 C ATOM 1237 C LEU A 100 -7.351 -4.120 -1.479 1.00 0.00 C ATOM 1238 O LEU A 100 -7.536 -4.966 -0.606 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.407 -4.026 -3.051 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.816 -4.207 -4.450 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.344 -3.827 -4.460 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.001 -5.640 -4.927 1.00 0.00 C ATOM 0 H LEU A 100 -7.221 -3.420 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.859 -5.609 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.372 -2.966 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.767 -4.545 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.346 -3.546 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.940 -3.962 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.235 -2.784 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.800 -4.462 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.574 -5.750 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.497 -6.320 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.064 -5.878 -4.959 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.576 -2.824 -1.291 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.065 -2.310 -0.016 1.00 0.00 C ATOM 1256 C ASN A 101 -9.248 -3.135 0.485 1.00 0.00 C ATOM 1257 O ASN A 101 -10.272 -3.242 -0.188 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.476 -0.844 -0.157 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.766 -0.193 1.182 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.377 -0.801 2.060 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.327 1.050 1.343 1.00 0.00 N ATOM 0 H ASN A 101 -7.428 -2.110 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.257 -2.385 0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.681 -0.294 -0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.361 -0.777 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.492 1.539 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.825 1.515 0.587 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.097 -3.715 1.672 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.159 -4.521 2.244 1.00 0.00 C ATOM 1270 C GLY A 102 -10.022 -5.990 1.897 1.00 0.00 C ATOM 1271 O GLY A 102 -10.479 -6.858 2.643 1.00 0.00 O ATOM 0 H GLY A 102 -8.258 -3.641 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.156 -4.405 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.122 -4.155 1.887 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.393 -6.273 0.762 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.196 -7.647 0.316 1.00 0.00 C ATOM 1277 C LYS A 103 -8.365 -8.433 1.326 1.00 0.00 C ATOM 1278 O LYS A 103 -7.607 -7.854 2.103 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.510 -7.669 -1.052 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.378 -9.061 -1.644 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.829 -9.015 -3.060 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.671 -10.411 -3.643 1.00 0.00 C ATOM 1283 NZ LYS A 103 -6.709 -11.233 -2.857 1.00 0.00 N ATOM 0 H LYS A 103 -9.010 -5.567 0.133 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.175 -8.118 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.074 -7.042 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.518 -7.227 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.720 -9.663 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.352 -9.550 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.497 -8.430 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.864 -8.508 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.641 -10.908 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.328 -10.337 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.459 -12.086 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.850 -10.678 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.145 -11.510 -1.955 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.513 -9.754 1.308 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.776 -10.618 2.222 1.00 0.00 C ATOM 1299 C GLU A 104 -6.644 -11.339 1.495 1.00 0.00 C ATOM 1300 O GLU A 104 -6.812 -11.802 0.366 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.717 -11.638 2.865 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.346 -11.155 4.161 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.432 -12.085 4.665 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -10.089 -13.124 5.267 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -11.623 -11.775 4.457 1.00 0.00 O ATOM 0 H GLU A 104 -9.137 -10.249 0.670 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.342 -9.993 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.508 -11.886 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.164 -12.557 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.572 -11.060 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.766 -10.161 4.008 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.492 -11.432 2.151 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.332 -12.097 1.569 1.00 0.00 C ATOM 1314 C VAL A 105 -3.639 -12.989 2.592 1.00 0.00 C ATOM 1315 O VAL A 105 -3.483 -12.613 3.754 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.317 -11.077 1.021 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.861 -10.398 -0.227 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.966 -10.050 2.087 1.00 0.00 C ATOM 0 H VAL A 105 -5.337 -11.055 3.086 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.699 -12.711 0.746 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.406 -11.609 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.129 -9.681 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.056 -11.148 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.788 -9.878 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.248 -9.337 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.868 -9.521 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.530 -10.555 2.949 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.225 -14.173 2.152 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.546 -15.119 3.031 1.00 0.00 C ATOM 1330 C VAL A 106 -1.095 -14.713 3.259 1.00 0.00 C ATOM 1331 O VAL A 106 -0.280 -14.741 2.336 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.584 -16.547 2.453 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.624 -17.454 3.208 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.000 -17.102 2.496 1.00 0.00 C ATOM 0 H VAL A 106 -3.347 -14.500 1.194 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.077 -15.105 3.983 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.266 -16.507 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.664 -18.458 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.610 -17.064 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.909 -17.491 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.008 -18.111 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.349 -17.129 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.659 -16.464 1.907 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.779 -14.338 4.494 1.00 0.00 N ATOM 1345 CA ASP A 107 0.575 -13.928 4.844 1.00 0.00 C ATOM 1346 C ASP A 107 1.507 -15.135 4.920 1.00 0.00 C ATOM 1347 O ASP A 107 1.092 -16.267 4.674 1.00 0.00 O ATOM 1348 CB ASP A 107 0.576 -13.183 6.180 1.00 0.00 C ATOM 1349 CG ASP A 107 0.414 -14.115 7.364 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.682 -14.692 7.518 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.384 -14.269 8.135 1.00 0.00 O ATOM 0 H ASP A 107 -1.442 -14.310 5.269 1.00 0.00 H new ATOM 0 HA ASP A 107 0.938 -13.260 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.509 -12.629 6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.232 -12.451 6.185 1.00 0.00 H new ATOM 1356 N ASP A 108 2.766 -14.883 5.262 1.00 0.00 N ATOM 1357 CA ASP A 108 3.756 -15.948 5.371 1.00 0.00 C ATOM 1358 C ASP A 108 3.271 -17.047 6.311 1.00 0.00 C ATOM 1359 O ASP A 108 3.438 -18.235 6.034 1.00 0.00 O ATOM 1360 CB ASP A 108 5.088 -15.386 5.867 1.00 0.00 C ATOM 1361 CG ASP A 108 5.976 -14.912 4.733 1.00 0.00 C ATOM 1362 OD1 ASP A 108 5.811 -15.415 3.602 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.836 -14.039 4.976 1.00 0.00 O ATOM 0 H ASP A 108 3.125 -13.951 5.468 1.00 0.00 H new ATOM 0 HA ASP A 108 3.899 -16.380 4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 108 4.898 -14.555 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.612 -16.152 6.439 1.00 0.00 H new ATOM 1368 N LEU A 109 2.669 -16.642 7.424 1.00 0.00 N ATOM 1369 CA LEU A 109 2.161 -17.592 8.407 1.00 0.00 C ATOM 1370 C LEU A 109 1.054 -18.454 7.809 1.00 0.00 C ATOM 1371 O LEU A 109 0.845 -19.592 8.227 1.00 0.00 O ATOM 1372 CB LEU A 109 1.635 -16.851 9.638 1.00 0.00 C ATOM 1373 CG LEU A 109 2.617 -15.890 10.312 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.942 -15.157 11.461 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.844 -16.642 10.805 1.00 0.00 C ATOM 0 H LEU A 109 2.521 -15.663 7.668 1.00 0.00 H new ATOM 0 HA LEU A 109 2.983 -18.242 8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.748 -16.288 9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.317 -17.590 10.374 1.00 0.00 H new ATOM 0 HG LEU A 109 2.938 -15.153 9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.655 -14.478 11.928 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.094 -14.587 11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.592 -15.880 12.198 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.532 -15.943 11.282 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.540 -17.401 11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.340 -17.121 9.961 1.00 0.00 H new ATOM 1387 N GLY A 110 0.347 -17.904 6.825 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.728 -18.637 6.184 1.00 0.00 C ATOM 1389 C GLY A 110 -2.098 -18.132 6.590 1.00 0.00 C ATOM 1390 O GLY A 110 -3.116 -18.728 6.239 1.00 0.00 O ATOM 0 H GLY A 110 0.501 -16.964 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.622 -18.559 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.644 -19.694 6.437 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.124 -17.030 7.334 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.380 -16.445 7.790 1.00 0.00 C ATOM 1396 C GLN A 111 -3.782 -15.266 6.911 1.00 0.00 C ATOM 1397 O GLN A 111 -2.946 -14.446 6.532 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.256 -15.994 9.246 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.805 -17.097 10.190 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.234 -16.851 11.622 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -2.402 -16.764 12.525 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -4.539 -16.740 11.839 1.00 0.00 N ATOM 0 H GLN A 111 -1.290 -16.525 7.634 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.155 -17.208 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.548 -15.167 9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.220 -15.611 9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.213 -18.049 9.851 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.719 -17.183 10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -5.194 -16.819 11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.887 -16.576 12.784 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.069 -15.186 6.590 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.585 -14.107 5.756 1.00 0.00 C ATOM 1413 C LYS A 112 -5.663 -12.803 6.543 1.00 0.00 C ATOM 1414 O LYS A 112 -6.223 -12.761 7.639 1.00 0.00 O ATOM 1415 CB LYS A 112 -6.967 -14.471 5.211 1.00 0.00 C ATOM 1416 CG LYS A 112 -6.953 -15.650 4.254 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.104 -15.580 3.266 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.734 -14.766 2.035 1.00 0.00 C ATOM 1419 NZ LYS A 112 -7.137 -15.615 0.967 1.00 0.00 N ATOM 0 H LYS A 112 -5.774 -15.856 6.895 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.899 -13.967 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.629 -14.700 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.387 -13.604 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.008 -15.668 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.014 -16.580 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.388 -16.588 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.974 -15.135 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.623 -14.268 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.027 -13.985 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.359 -15.100 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.771 -16.493 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.864 -15.846 0.260 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.102 -11.740 5.977 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.113 -10.434 6.625 1.00 0.00 C ATOM 1435 C ILE A 113 -5.743 -9.378 5.724 1.00 0.00 C ATOM 1436 O ILE A 113 -5.580 -9.410 4.502 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.690 -9.985 7.006 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.890 -11.165 7.561 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.747 -8.853 8.022 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.489 -10.794 7.996 1.00 0.00 C ATOM 0 H ILE A 113 -4.634 -11.757 5.071 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.709 -10.536 7.532 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.188 -9.620 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.425 -11.589 8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.831 -11.944 6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.734 -8.546 8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.284 -8.007 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.264 -9.195 8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.980 -11.679 8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.936 -10.398 7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.540 -10.038 8.779 1.00 0.00 H new ATOM 1452 N THR A 114 -6.462 -8.440 6.332 1.00 0.00 N ATOM 1453 CA THR A 114 -7.116 -7.374 5.586 1.00 0.00 C ATOM 1454 C THR A 114 -6.203 -6.161 5.446 1.00 0.00 C ATOM 1455 O THR A 114 -5.942 -5.452 6.419 1.00 0.00 O ATOM 1456 CB THR A 114 -8.429 -6.937 6.263 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.181 -8.089 6.661 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.264 -6.080 5.324 1.00 0.00 C ATOM 0 H THR A 114 -6.606 -8.398 7.341 1.00 0.00 H new ATOM 0 HA THR A 114 -7.341 -7.773 4.597 1.00 0.00 H new ATOM 0 HB THR A 114 -8.178 -6.344 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 114 -10.013 -7.803 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.186 -5.784 5.825 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.700 -5.190 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.505 -6.651 4.428 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.722 -5.926 4.230 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.837 -4.798 3.962 1.00 0.00 C ATOM 1468 C LEU A 115 -5.624 -3.604 3.430 1.00 0.00 C ATOM 1469 O LEU A 115 -6.483 -3.752 2.561 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.756 -5.199 2.957 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.160 -6.596 3.134 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -2.087 -6.855 2.089 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.593 -6.761 4.537 1.00 0.00 C ATOM 0 H LEU A 115 -5.930 -6.502 3.414 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.363 -4.509 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.177 -5.130 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.947 -4.471 3.014 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.955 -7.329 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.674 -7.854 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.524 -6.781 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.292 -6.116 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.173 -7.761 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.811 -6.020 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.388 -6.620 5.270 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.323 -2.422 3.956 1.00 0.00 N ATOM 1486 CA TYR A 116 -6.002 -1.203 3.534 1.00 0.00 C ATOM 1487 C TYR A 116 -5.052 -0.285 2.772 1.00 0.00 C ATOM 1488 O TYR A 116 -4.025 0.144 3.302 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.576 -0.467 4.747 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.881 -1.046 5.245 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.900 -2.189 6.035 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.094 -0.449 4.926 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -9.091 -2.721 6.491 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.289 -0.974 5.379 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.282 -2.110 6.161 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.470 -2.636 6.614 1.00 0.00 O ATOM 0 H TYR A 116 -4.613 -2.282 4.675 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.818 -1.485 2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.845 -0.492 5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.729 0.580 4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.969 -2.669 6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.103 0.441 4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -9.089 -3.611 7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.223 -0.497 5.122 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.215 -2.086 6.293 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.400 0.013 1.526 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.579 0.881 0.688 1.00 0.00 C ATOM 1508 C LEU A 117 -5.116 2.309 0.691 1.00 0.00 C ATOM 1509 O LEU A 117 -6.299 2.537 0.444 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.532 0.345 -0.745 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.559 -0.807 -0.999 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.095 -2.101 -0.407 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.300 -0.967 -2.489 1.00 0.00 C ATOM 0 H LEU A 117 -6.245 -0.333 1.073 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.570 0.891 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.534 0.016 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.272 1.168 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.614 -0.573 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.388 -2.909 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.227 -1.982 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.054 -2.341 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.605 -1.791 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.239 -1.178 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.870 -0.047 -2.884 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.237 3.266 0.971 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.623 4.671 1.005 1.00 0.00 C ATOM 1527 C ASN A 118 -3.836 5.476 -0.025 1.00 0.00 C ATOM 1528 O ASN A 118 -2.639 5.260 -0.215 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.396 5.250 2.403 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.594 5.056 3.311 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.962 3.929 3.641 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.211 6.160 3.719 1.00 0.00 N ATOM 0 H ASN A 118 -3.253 3.094 1.177 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.683 4.737 0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.523 4.776 2.852 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.174 6.314 2.321 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.024 6.093 4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.871 7.074 3.420 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.517 6.405 -0.688 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.883 7.243 -1.698 1.00 0.00 C ATOM 1541 C PHE A 119 -2.845 8.167 -1.067 1.00 0.00 C ATOM 1542 O PHE A 119 -3.153 8.932 -0.153 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.935 8.070 -2.439 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.745 7.271 -3.419 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.124 6.533 -4.414 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.129 7.257 -3.346 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.867 5.797 -5.317 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.877 6.521 -4.246 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.244 5.791 -5.234 1.00 0.00 C ATOM 0 H PHE A 119 -5.508 6.596 -0.544 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.377 6.590 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.606 8.525 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.439 8.884 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.046 6.533 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.629 7.828 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.370 5.227 -6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.955 6.517 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.826 5.217 -5.940 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.614 8.089 -1.561 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.530 8.918 -1.046 1.00 0.00 C ATOM 1561 C VAL A 120 0.157 9.684 -2.171 1.00 0.00 C ATOM 1562 O VAL A 120 0.290 9.182 -3.286 1.00 0.00 O ATOM 1563 CB VAL A 120 0.519 8.071 -0.302 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.106 7.385 0.904 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.143 7.050 -1.241 1.00 0.00 C ATOM 0 H VAL A 120 -1.342 7.461 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.977 9.626 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 120 1.308 8.733 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.650 6.791 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.501 8.138 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.916 6.734 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.882 6.460 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.367 6.391 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.628 7.566 -2.069 1.00 0.00 H new ATOM 1575 N GLU A 121 0.591 10.903 -1.869 1.00 0.00 N ATOM 1576 CA GLU A 121 1.265 11.740 -2.856 1.00 0.00 C ATOM 1577 C GLU A 121 2.755 11.853 -2.546 1.00 0.00 C ATOM 1578 O GLU A 121 3.581 11.980 -3.451 1.00 0.00 O ATOM 1579 CB GLU A 121 0.632 13.133 -2.893 1.00 0.00 C ATOM 1580 CG GLU A 121 0.596 13.820 -1.539 1.00 0.00 C ATOM 1581 CD GLU A 121 0.306 15.305 -1.647 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.834 15.946 -2.579 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.448 15.826 -0.799 1.00 0.00 O ATOM 0 H GLU A 121 0.488 11.333 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 121 1.150 11.271 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.187 13.757 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.385 13.051 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.165 13.349 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.553 13.676 -1.037 1.00 0.00 H new ATOM 1590 N LYS A 122 3.091 11.809 -1.262 1.00 0.00 N ATOM 1591 CA LYS A 122 4.481 11.905 -0.830 1.00 0.00 C ATOM 1592 C LYS A 122 4.914 10.639 -0.099 1.00 0.00 C ATOM 1593 O LYS A 122 4.256 10.200 0.845 1.00 0.00 O ATOM 1594 CB LYS A 122 4.671 13.122 0.079 1.00 0.00 C ATOM 1595 CG LYS A 122 4.545 14.450 -0.649 1.00 0.00 C ATOM 1596 CD LYS A 122 4.961 15.613 0.238 1.00 0.00 C ATOM 1597 CE LYS A 122 4.541 16.946 -0.359 1.00 0.00 C ATOM 1598 NZ LYS A 122 3.062 17.120 -0.342 1.00 0.00 N ATOM 0 H LYS A 122 2.419 11.707 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 122 5.103 12.021 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.933 13.085 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.654 13.066 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.165 14.435 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.515 14.591 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.513 15.498 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.042 15.599 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.009 17.757 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.903 17.015 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.829 18.124 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.637 16.558 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.685 16.800 0.573 1.00 0.00 H new ATOM 1612 N VAL A 123 6.024 10.056 -0.539 1.00 0.00 N ATOM 1613 CA VAL A 123 6.546 8.841 0.075 1.00 0.00 C ATOM 1614 C VAL A 123 8.070 8.831 0.064 1.00 0.00 C ATOM 1615 O VAL A 123 8.694 9.067 -0.970 1.00 0.00 O ATOM 1616 CB VAL A 123 6.030 7.581 -0.645 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.776 6.347 -0.163 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.531 7.424 -0.435 1.00 0.00 C ATOM 0 H VAL A 123 6.580 10.406 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 123 6.193 8.831 1.106 1.00 0.00 H new ATOM 0 HB VAL A 123 6.215 7.693 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.398 5.467 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.840 6.461 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.626 6.227 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.183 6.529 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.320 7.334 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.014 8.297 -0.835 1.00 0.00 H new ATOM 1628 N GLN A 124 8.662 8.556 1.221 1.00 0.00 N ATOM 1629 CA GLN A 124 10.115 8.515 1.346 1.00 0.00 C ATOM 1630 C GLN A 124 10.697 7.350 0.552 1.00 0.00 C ATOM 1631 O GLN A 124 11.125 6.348 1.126 1.00 0.00 O ATOM 1632 CB GLN A 124 10.520 8.399 2.817 1.00 0.00 C ATOM 1633 CG GLN A 124 9.785 7.298 3.564 1.00 0.00 C ATOM 1634 CD GLN A 124 10.292 7.117 4.981 1.00 0.00 C ATOM 1635 OE1 GLN A 124 9.524 7.192 5.942 1.00 0.00 O ATOM 1636 NE2 GLN A 124 11.590 6.877 5.120 1.00 0.00 N ATOM 0 H GLN A 124 8.159 8.358 2.086 1.00 0.00 H new ATOM 0 HA GLN A 124 10.515 9.444 0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.593 8.214 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.333 9.351 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.720 7.530 3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.894 6.360 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 124 12.190 6.823 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.988 6.746 6.050 1.00 0.00 H new ATOM 1645 N TRP A 125 10.706 7.486 -0.769 1.00 0.00 N ATOM 1646 CA TRP A 125 11.234 6.443 -1.641 1.00 0.00 C ATOM 1647 C TRP A 125 12.718 6.213 -1.377 1.00 0.00 C ATOM 1648 O TRP A 125 13.141 5.092 -1.092 1.00 0.00 O ATOM 1649 CB TRP A 125 11.017 6.818 -3.108 1.00 0.00 C ATOM 1650 CG TRP A 125 9.570 6.877 -3.497 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.841 7.999 -3.768 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.680 5.768 -3.657 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.549 7.654 -4.087 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.425 6.291 -4.026 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.820 4.384 -3.526 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.321 5.478 -4.264 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.723 3.578 -3.762 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.486 4.126 -4.128 1.00 0.00 C ATOM 0 H TRP A 125 10.354 8.308 -1.260 1.00 0.00 H new ATOM 0 HA TRP A 125 10.698 5.519 -1.426 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.478 7.787 -3.300 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.527 6.092 -3.741 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.223 9.009 -3.736 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.804 8.307 -4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.769 3.952 -3.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.367 5.899 -4.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.820 2.507 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.647 3.469 -4.306 1.00 0.00 H new