USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 24 THR OG1 : rot -107:sc= 1.07 USER MOD Set 1.2: A 27 ASN : amide:sc= -0.191 K(o=0.88,f=-11!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.175 K(o=-0.17,f=-0.89) USER MOD Single : A 34 GLN : amide:sc=-0.00358 X(o=-0.0036,f=-0.0022) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.05 K(o=-2,f=-6.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.082 K(o=-0.082,f=-1.8!) USER MOD Single : A 45 TYR OH : rot 70:sc= -4.96! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 144:sc= 0.0254 USER MOD Single : A 49 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.58) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -2.95 F(o=-5.1!,f=-3) USER MOD Single : A 55 ASN : amide:sc= -0.0205 K(o=-0.02,f=-1.8) USER MOD Single : A 57 SER OG : rot 180:sc=-0.00406 USER MOD Single : A 62 MET CE :methyl -170:sc= -6.57! (180deg=-7.8!) USER MOD Single : A 63 THR OG1 : rot -95:sc= -0.758 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.0491 X(o=-0.049,f=-0.5) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.22! C(o=-3.2!,f=-6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -7.3! C(o=-7.3!,f=-16!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 60:sc= -3.22 USER MOD Single : A 92 SER OG : rot 160:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -8.8! C(o=-8.8!,f=-13!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.718 -10.038 0.883 1.00 0.00 N ATOM 277 CA TRP A 23 -1.837 -8.679 0.384 1.00 0.00 C ATOM 278 C TRP A 23 -0.427 -8.145 0.124 1.00 0.00 C ATOM 279 O TRP A 23 0.266 -7.734 1.054 1.00 0.00 O ATOM 280 CB TRP A 23 -2.637 -7.807 1.354 1.00 0.00 C ATOM 281 CG TRP A 23 -4.154 -7.959 1.222 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.038 -8.272 2.179 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.933 -7.791 0.019 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.325 -8.317 1.683 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.259 -8.016 0.328 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.531 -7.460 -1.287 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.290 -7.934 -0.615 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.574 -7.383 -2.218 1.00 0.00 C ATOM 289 CH2 TRP A 23 -6.913 -7.606 -1.923 1.00 0.00 C ATOM 0 HA TRP A 23 -2.394 -8.660 -0.552 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.345 -8.055 2.374 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.371 -6.763 1.191 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.776 -8.465 3.209 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.169 -8.532 2.213 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.499 -7.279 -1.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.321 -8.114 -0.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.320 -7.133 -3.237 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.660 -7.527 -2.699 1.00 0.00 H new ATOM 300 N THR A 24 -0.044 -8.170 -1.144 1.00 0.00 N ATOM 301 CA THR A 24 1.271 -7.694 -1.538 1.00 0.00 C ATOM 302 C THR A 24 1.187 -6.252 -2.043 1.00 0.00 C ATOM 303 O THR A 24 0.205 -5.869 -2.676 1.00 0.00 O ATOM 304 CB THR A 24 1.837 -8.669 -2.572 1.00 0.00 C ATOM 305 OG1 THR A 24 1.172 -8.314 -3.782 1.00 0.00 O ATOM 306 CG2 THR A 24 1.400 -10.113 -2.317 1.00 0.00 C ATOM 0 H THR A 24 -0.621 -8.513 -1.912 1.00 0.00 H new ATOM 0 HA THR A 24 1.953 -7.668 -0.688 1.00 0.00 H new ATOM 0 HB THR A 24 2.926 -8.613 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.510 -9.001 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.829 -10.763 -3.079 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.746 -10.430 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.313 -10.176 -2.357 1.00 0.00 H new ATOM 314 N LEU A 25 2.231 -5.493 -1.745 1.00 0.00 N ATOM 315 CA LEU A 25 2.287 -4.102 -2.161 1.00 0.00 C ATOM 316 C LEU A 25 1.548 -3.941 -3.491 1.00 0.00 C ATOM 317 O LEU A 25 0.810 -2.976 -3.682 1.00 0.00 O ATOM 318 CB LEU A 25 3.737 -3.613 -2.200 1.00 0.00 C ATOM 319 CG LEU A 25 4.311 -3.110 -0.874 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.809 -3.409 -0.778 1.00 0.00 C ATOM 321 CD2 LEU A 25 4.009 -1.624 -0.673 1.00 0.00 C ATOM 0 H LEU A 25 3.045 -5.815 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 25 1.779 -3.467 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.365 -4.428 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.809 -2.809 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 25 3.821 -3.649 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.193 -3.042 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.970 -4.485 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.332 -2.914 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.428 -1.293 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.453 -1.049 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.930 -1.470 -0.667 1.00 0.00 H new ATOM 333 N GLU A 26 1.771 -4.902 -4.375 1.00 0.00 N ATOM 334 CA GLU A 26 1.136 -4.880 -5.681 1.00 0.00 C ATOM 335 C GLU A 26 -0.384 -4.979 -5.534 1.00 0.00 C ATOM 336 O GLU A 26 -1.103 -4.024 -5.824 1.00 0.00 O ATOM 337 CB GLU A 26 1.674 -6.000 -6.573 1.00 0.00 C ATOM 338 CG GLU A 26 2.167 -5.447 -7.911 1.00 0.00 C ATOM 339 CD GLU A 26 1.632 -6.279 -9.079 1.00 0.00 C ATOM 340 OE1 GLU A 26 1.836 -7.512 -9.037 1.00 0.00 O ATOM 341 OE2 GLU A 26 1.032 -5.664 -9.986 1.00 0.00 O ATOM 0 H GLU A 26 2.383 -5.701 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 26 1.375 -3.932 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.490 -6.514 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.892 -6.739 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.846 -4.411 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.257 -5.447 -7.929 1.00 0.00 H new ATOM 348 N ASN A 27 -0.828 -6.143 -5.083 1.00 0.00 N ATOM 349 CA ASN A 27 -2.249 -6.379 -4.893 1.00 0.00 C ATOM 350 C ASN A 27 -2.874 -5.170 -4.194 1.00 0.00 C ATOM 351 O ASN A 27 -3.784 -4.540 -4.730 1.00 0.00 O ATOM 352 CB ASN A 27 -2.491 -7.609 -4.016 1.00 0.00 C ATOM 353 CG ASN A 27 -1.822 -8.849 -4.614 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.945 -9.458 -4.025 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.284 -9.186 -5.815 1.00 0.00 N ATOM 0 H ASN A 27 -0.229 -6.933 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.697 -6.541 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.101 -7.428 -3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.562 -7.783 -3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.902 -9.998 -6.299 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.021 -8.632 -6.252 1.00 0.00 H new ATOM 362 N ALA A 28 -2.360 -4.883 -3.006 1.00 0.00 N ATOM 363 CA ALA A 28 -2.856 -3.760 -2.228 1.00 0.00 C ATOM 364 C ALA A 28 -3.212 -2.609 -3.171 1.00 0.00 C ATOM 365 O ALA A 28 -4.345 -2.130 -3.172 1.00 0.00 O ATOM 366 CB ALA A 28 -1.810 -3.359 -1.186 1.00 0.00 C ATOM 0 H ALA A 28 -1.606 -5.408 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.762 -4.037 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.182 -2.517 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.615 -4.202 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.887 -3.072 -1.689 1.00 0.00 H new ATOM 372 N LYS A 29 -2.223 -2.198 -3.951 1.00 0.00 N ATOM 373 CA LYS A 29 -2.417 -1.112 -4.896 1.00 0.00 C ATOM 374 C LYS A 29 -3.688 -1.369 -5.708 1.00 0.00 C ATOM 375 O LYS A 29 -4.705 -0.709 -5.502 1.00 0.00 O ATOM 376 CB LYS A 29 -1.166 -0.920 -5.756 1.00 0.00 C ATOM 377 CG LYS A 29 -1.463 -0.031 -6.965 1.00 0.00 C ATOM 378 CD LYS A 29 -0.268 0.868 -7.292 1.00 0.00 C ATOM 379 CE LYS A 29 -0.620 2.343 -7.089 1.00 0.00 C ATOM 380 NZ LYS A 29 -0.043 3.167 -8.174 1.00 0.00 N ATOM 0 H LYS A 29 -1.285 -2.598 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.561 -0.169 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.374 -0.472 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.800 -1.890 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.702 -0.653 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.340 0.584 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.577 0.601 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.044 0.703 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.703 2.465 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.242 2.684 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.291 4.165 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.992 3.064 -8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.424 2.852 -9.089 1.00 0.00 H new ATOM 394 N ALA A 30 -3.588 -2.330 -6.615 1.00 0.00 N ATOM 395 CA ALA A 30 -4.717 -2.683 -7.459 1.00 0.00 C ATOM 396 C ALA A 30 -5.990 -2.722 -6.610 1.00 0.00 C ATOM 397 O ALA A 30 -6.908 -1.933 -6.826 1.00 0.00 O ATOM 398 CB ALA A 30 -4.438 -4.017 -8.153 1.00 0.00 C ATOM 0 H ALA A 30 -2.742 -2.875 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.863 -1.935 -8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.285 -4.282 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.541 -3.928 -8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.289 -4.793 -7.403 1.00 0.00 H new ATOM 404 N ARG A 31 -6.003 -3.649 -5.663 1.00 0.00 N ATOM 405 CA ARG A 31 -7.148 -3.801 -4.782 1.00 0.00 C ATOM 406 C ARG A 31 -7.750 -2.433 -4.452 1.00 0.00 C ATOM 407 O ARG A 31 -8.916 -2.178 -4.745 1.00 0.00 O ATOM 408 CB ARG A 31 -6.752 -4.503 -3.481 1.00 0.00 C ATOM 409 CG ARG A 31 -7.949 -4.620 -2.535 1.00 0.00 C ATOM 410 CD ARG A 31 -9.125 -5.316 -3.222 1.00 0.00 C ATOM 411 NE ARG A 31 -10.015 -5.926 -2.208 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.233 -6.415 -2.475 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.715 -6.369 -3.725 1.00 0.00 N ATOM 414 NH2 ARG A 31 -11.970 -6.951 -1.492 1.00 0.00 N ATOM 0 H ARG A 31 -5.239 -4.302 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.887 -4.411 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.361 -5.496 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.951 -3.948 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.660 -5.179 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.253 -3.627 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.683 -4.598 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.757 -6.083 -3.903 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.680 -5.977 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.154 -5.962 -4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.643 -6.742 -3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.603 -6.986 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.898 -7.323 -1.695 1.00 0.00 H new ATOM 428 N LEU A 32 -6.926 -1.591 -3.846 1.00 0.00 N ATOM 429 CA LEU A 32 -7.362 -0.256 -3.474 1.00 0.00 C ATOM 430 C LEU A 32 -8.136 0.367 -4.637 1.00 0.00 C ATOM 431 O LEU A 32 -9.259 0.836 -4.459 1.00 0.00 O ATOM 432 CB LEU A 32 -6.172 0.586 -3.007 1.00 0.00 C ATOM 433 CG LEU A 32 -6.515 1.863 -2.237 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.439 1.559 -1.055 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.246 2.596 -1.798 1.00 0.00 C ATOM 0 H LEU A 32 -5.959 -1.807 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.044 -0.302 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.538 -0.036 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.581 0.860 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.057 2.530 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.667 2.483 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.364 1.113 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.945 0.864 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.518 3.500 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.656 1.946 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.659 2.865 -2.676 1.00 0.00 H new ATOM 447 N ASN A 33 -7.506 0.350 -5.802 1.00 0.00 N ATOM 448 CA ASN A 33 -8.121 0.907 -6.995 1.00 0.00 C ATOM 449 C ASN A 33 -9.410 0.143 -7.302 1.00 0.00 C ATOM 450 O ASN A 33 -10.365 0.714 -7.826 1.00 0.00 O ATOM 451 CB ASN A 33 -7.195 0.778 -8.205 1.00 0.00 C ATOM 452 CG ASN A 33 -7.666 1.670 -9.355 1.00 0.00 C ATOM 453 OD1 ASN A 33 -8.774 1.554 -9.851 1.00 0.00 O ATOM 454 ND2 ASN A 33 -6.765 2.565 -9.749 1.00 0.00 N ATOM 0 H ASN A 33 -6.575 -0.041 -5.946 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.324 1.962 -6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.179 1.052 -7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.165 -0.260 -8.535 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.984 3.208 -10.510 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.855 2.609 -9.290 1.00 0.00 H new ATOM 461 N GLN A 34 -9.396 -1.138 -6.963 1.00 0.00 N ATOM 462 CA GLN A 34 -10.552 -1.987 -7.197 1.00 0.00 C ATOM 463 C GLN A 34 -11.700 -1.587 -6.268 1.00 0.00 C ATOM 464 O GLN A 34 -12.869 -1.702 -6.635 1.00 0.00 O ATOM 465 CB GLN A 34 -10.193 -3.464 -7.020 1.00 0.00 C ATOM 466 CG GLN A 34 -9.997 -4.146 -8.376 1.00 0.00 C ATOM 467 CD GLN A 34 -11.162 -5.087 -8.689 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.262 -4.669 -9.013 1.00 0.00 O ATOM 469 NE2 GLN A 34 -10.861 -6.378 -8.574 1.00 0.00 N ATOM 0 H GLN A 34 -8.602 -1.609 -6.528 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.878 -1.848 -8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.281 -3.552 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.983 -3.970 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.914 -3.391 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.062 -4.707 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.920 -6.660 -8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.571 -7.086 -8.761 1.00 0.00 H new ATOM 478 N TYR A 35 -11.327 -1.127 -5.083 1.00 0.00 N ATOM 479 CA TYR A 35 -12.311 -0.709 -4.099 1.00 0.00 C ATOM 480 C TYR A 35 -12.938 0.632 -4.484 1.00 0.00 C ATOM 481 O TYR A 35 -14.101 0.890 -4.177 1.00 0.00 O ATOM 482 CB TYR A 35 -11.548 -0.543 -2.783 1.00 0.00 C ATOM 483 CG TYR A 35 -12.348 0.158 -1.683 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.395 -0.498 -1.067 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.023 1.445 -1.308 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.148 0.162 -0.032 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.777 2.105 -0.273 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.802 1.431 0.314 1.00 0.00 C ATOM 489 OH TYR A 35 -14.513 2.054 1.291 1.00 0.00 O ATOM 0 H TYR A 35 -10.357 -1.035 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.115 -1.441 -4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.243 -1.526 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.637 0.024 -2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.649 -1.506 -1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.204 1.958 -1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.969 -0.340 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.534 3.113 0.030 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.153 2.954 1.434 1.00 0.00 H new ATOM 499 N PHE A 36 -12.138 1.452 -5.151 1.00 0.00 N ATOM 500 CA PHE A 36 -12.600 2.761 -5.581 1.00 0.00 C ATOM 501 C PHE A 36 -13.390 2.662 -6.887 1.00 0.00 C ATOM 502 O PHE A 36 -14.220 3.520 -7.182 1.00 0.00 O ATOM 503 CB PHE A 36 -11.355 3.619 -5.816 1.00 0.00 C ATOM 504 CG PHE A 36 -10.557 3.919 -4.545 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.200 4.057 -3.355 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.204 4.047 -4.606 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.459 4.335 -2.176 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.463 4.325 -3.427 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.107 4.463 -2.237 1.00 0.00 C ATOM 0 H PHE A 36 -11.174 1.235 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.255 3.192 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.706 3.111 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.657 4.561 -6.274 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.274 3.955 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.693 3.937 -5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.970 4.445 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.389 4.427 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.544 4.674 -1.340 1.00 0.00 H new ATOM 519 N GLN A 37 -13.104 1.607 -7.636 1.00 0.00 N ATOM 520 CA GLN A 37 -13.777 1.384 -8.904 1.00 0.00 C ATOM 521 C GLN A 37 -15.073 0.601 -8.686 1.00 0.00 C ATOM 522 O GLN A 37 -16.076 0.856 -9.352 1.00 0.00 O ATOM 523 CB GLN A 37 -12.860 0.661 -9.893 1.00 0.00 C ATOM 524 CG GLN A 37 -13.034 -0.856 -9.794 1.00 0.00 C ATOM 525 CD GLN A 37 -12.071 -1.580 -10.737 1.00 0.00 C ATOM 526 OE1 GLN A 37 -10.912 -1.805 -10.429 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.613 -1.932 -11.899 1.00 0.00 N ATOM 0 H GLN A 37 -12.415 0.897 -7.389 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.028 2.353 -9.335 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.082 0.991 -10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.822 0.925 -9.692 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.857 -1.180 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.061 -1.125 -10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.590 -1.713 -12.093 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.052 -2.421 -12.596 1.00 0.00 H new ATOM 536 N LYS A 38 -15.011 -0.336 -7.752 1.00 0.00 N ATOM 537 CA LYS A 38 -16.168 -1.158 -7.438 1.00 0.00 C ATOM 538 C LYS A 38 -17.238 -0.291 -6.771 1.00 0.00 C ATOM 539 O LYS A 38 -18.376 -0.238 -7.234 1.00 0.00 O ATOM 540 CB LYS A 38 -15.753 -2.372 -6.605 1.00 0.00 C ATOM 541 CG LYS A 38 -15.325 -3.534 -7.503 1.00 0.00 C ATOM 542 CD LYS A 38 -16.544 -4.269 -8.066 1.00 0.00 C ATOM 543 CE LYS A 38 -16.739 -5.617 -7.370 1.00 0.00 C ATOM 544 NZ LYS A 38 -17.425 -6.571 -8.271 1.00 0.00 N ATOM 0 H LYS A 38 -14.178 -0.545 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.607 -1.562 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.932 -2.099 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.584 -2.684 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.712 -3.159 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.707 -4.229 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.436 -3.656 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.417 -4.424 -9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.772 -6.022 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.324 -5.482 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.550 -7.481 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.356 -6.190 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.852 -6.713 -9.127 1.00 0.00 H new ATOM 558 N GLU A 39 -16.835 0.367 -5.694 1.00 0.00 N ATOM 559 CA GLU A 39 -17.745 1.229 -4.959 1.00 0.00 C ATOM 560 C GLU A 39 -17.991 2.524 -5.734 1.00 0.00 C ATOM 561 O GLU A 39 -18.952 3.243 -5.461 1.00 0.00 O ATOM 562 CB GLU A 39 -17.209 1.523 -3.557 1.00 0.00 C ATOM 563 CG GLU A 39 -17.770 0.530 -2.536 1.00 0.00 C ATOM 564 CD GLU A 39 -19.205 0.895 -2.148 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.898 1.471 -3.015 1.00 0.00 O ATOM 566 OE2 GLU A 39 -19.575 0.591 -0.994 1.00 0.00 O ATOM 0 H GLU A 39 -15.890 0.321 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.696 0.709 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.120 1.470 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.477 2.539 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.747 -0.477 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.140 0.522 -1.647 1.00 0.00 H new ATOM 573 N LYS A 40 -17.108 2.784 -6.687 1.00 0.00 N ATOM 574 CA LYS A 40 -17.218 3.981 -7.504 1.00 0.00 C ATOM 575 C LYS A 40 -16.690 5.181 -6.716 1.00 0.00 C ATOM 576 O LYS A 40 -17.033 6.324 -7.015 1.00 0.00 O ATOM 577 CB LYS A 40 -18.652 4.157 -8.006 1.00 0.00 C ATOM 578 CG LYS A 40 -19.220 2.832 -8.519 1.00 0.00 C ATOM 579 CD LYS A 40 -18.882 2.626 -9.997 1.00 0.00 C ATOM 580 CE LYS A 40 -20.118 2.193 -10.787 1.00 0.00 C ATOM 581 NZ LYS A 40 -20.905 3.374 -11.208 1.00 0.00 N ATOM 0 H LYS A 40 -16.313 2.186 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.601 3.890 -8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.279 4.538 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.673 4.899 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.816 2.007 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.302 2.819 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.484 3.551 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.102 1.871 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.814 1.620 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.736 1.536 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.740 3.062 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.211 3.905 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.318 3.986 -11.810 1.00 0.00 H new ATOM 595 N ILE A 41 -15.865 4.881 -5.723 1.00 0.00 N ATOM 596 CA ILE A 41 -15.287 5.921 -4.890 1.00 0.00 C ATOM 597 C ILE A 41 -14.129 6.584 -5.639 1.00 0.00 C ATOM 598 O ILE A 41 -13.653 6.058 -6.644 1.00 0.00 O ATOM 599 CB ILE A 41 -14.892 5.356 -3.524 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.123 4.875 -2.753 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.076 6.373 -2.724 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.731 3.880 -1.659 1.00 0.00 C ATOM 0 H ILE A 41 -15.583 3.932 -5.477 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.023 6.699 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.253 4.488 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.634 5.729 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.827 4.406 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.809 5.946 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.169 6.624 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.669 7.275 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.624 3.554 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.242 3.017 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.046 4.359 -0.959 1.00 0.00 H new ATOM 614 N GLN A 42 -13.708 7.728 -5.120 1.00 0.00 N ATOM 615 CA GLN A 42 -12.615 8.468 -5.727 1.00 0.00 C ATOM 616 C GLN A 42 -11.583 8.857 -4.666 1.00 0.00 C ATOM 617 O GLN A 42 -11.930 9.450 -3.646 1.00 0.00 O ATOM 618 CB GLN A 42 -13.133 9.704 -6.466 1.00 0.00 C ATOM 619 CG GLN A 42 -13.950 10.599 -5.532 1.00 0.00 C ATOM 620 CD GLN A 42 -14.986 11.407 -6.316 1.00 0.00 C ATOM 621 OE1 GLN A 42 -15.072 11.344 -7.531 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.767 12.168 -5.554 1.00 0.00 N ATOM 0 H GLN A 42 -14.104 8.161 -4.286 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.129 7.824 -6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.293 10.267 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.749 9.395 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.452 9.987 -4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.284 11.276 -4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.642 12.174 -4.542 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.491 12.745 -5.982 1.00 0.00 H new ATOM 631 N GLY A 43 -10.336 8.506 -4.943 1.00 0.00 N ATOM 632 CA GLY A 43 -9.252 8.810 -4.026 1.00 0.00 C ATOM 633 C GLY A 43 -7.896 8.713 -4.728 1.00 0.00 C ATOM 634 O GLY A 43 -7.596 7.709 -5.371 1.00 0.00 O ATOM 0 H GLY A 43 -10.053 8.014 -5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.385 9.813 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.279 8.119 -3.183 1.00 0.00 H new ATOM 638 N GLU A 44 -7.112 9.771 -4.580 1.00 0.00 N ATOM 639 CA GLU A 44 -5.795 9.818 -5.192 1.00 0.00 C ATOM 640 C GLU A 44 -4.708 9.803 -4.115 1.00 0.00 C ATOM 641 O GLU A 44 -5.006 9.662 -2.930 1.00 0.00 O ATOM 642 CB GLU A 44 -5.654 11.044 -6.096 1.00 0.00 C ATOM 643 CG GLU A 44 -6.520 12.200 -5.592 1.00 0.00 C ATOM 644 CD GLU A 44 -6.400 13.417 -6.512 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.308 13.581 -7.097 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.403 14.156 -6.609 1.00 0.00 O ATOM 0 H GLU A 44 -7.364 10.602 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.674 8.932 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.610 11.356 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.944 10.785 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.561 11.882 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.217 12.473 -4.581 1.00 0.00 H new ATOM 653 N TYR A 45 -3.471 9.951 -4.566 1.00 0.00 N ATOM 654 CA TYR A 45 -2.339 9.956 -3.655 1.00 0.00 C ATOM 655 C TYR A 45 -1.611 11.302 -3.692 1.00 0.00 C ATOM 656 O TYR A 45 -1.428 11.883 -4.761 1.00 0.00 O ATOM 657 CB TYR A 45 -1.391 8.864 -4.155 1.00 0.00 C ATOM 658 CG TYR A 45 -1.971 7.451 -4.071 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.936 7.047 -4.971 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.529 6.580 -3.096 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.482 5.716 -4.892 1.00 0.00 C ATOM 662 CE2 TYR A 45 -2.075 5.250 -3.017 1.00 0.00 C ATOM 663 CZ TYR A 45 -3.025 4.884 -3.919 1.00 0.00 C ATOM 664 OH TYR A 45 -3.541 3.627 -3.845 1.00 0.00 O ATOM 0 H TYR A 45 -3.228 10.068 -5.550 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.670 9.786 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.124 9.075 -5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.470 8.903 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.282 7.728 -5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.773 6.896 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.237 5.387 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.738 4.559 -2.259 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.232 3.101 -4.612 1.00 0.00 H new ATOM 674 N LYS A 46 -1.217 11.758 -2.513 1.00 0.00 N ATOM 675 CA LYS A 46 -0.514 13.024 -2.397 1.00 0.00 C ATOM 676 C LYS A 46 0.983 12.758 -2.223 1.00 0.00 C ATOM 677 O LYS A 46 1.402 12.183 -1.220 1.00 0.00 O ATOM 678 CB LYS A 46 -1.121 13.874 -1.278 1.00 0.00 C ATOM 679 CG LYS A 46 -0.559 15.296 -1.304 1.00 0.00 C ATOM 680 CD LYS A 46 -1.558 16.270 -1.933 1.00 0.00 C ATOM 681 CE LYS A 46 -0.845 17.505 -2.487 1.00 0.00 C ATOM 682 NZ LYS A 46 -1.263 17.762 -3.883 1.00 0.00 N ATOM 0 H LYS A 46 -1.371 11.273 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.631 13.609 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.205 13.905 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.911 13.414 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.323 15.616 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.374 15.312 -1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.103 15.771 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.293 16.574 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.073 18.372 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.234 17.358 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.770 18.604 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.023 16.940 -4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.290 17.923 -3.914 1.00 0.00 H new ATOM 696 N TYR A 47 1.747 13.188 -3.216 1.00 0.00 N ATOM 697 CA TYR A 47 3.188 13.004 -3.186 1.00 0.00 C ATOM 698 C TYR A 47 3.880 14.198 -2.525 1.00 0.00 C ATOM 699 O TYR A 47 3.764 15.327 -2.999 1.00 0.00 O ATOM 700 CB TYR A 47 3.632 12.916 -4.647 1.00 0.00 C ATOM 701 CG TYR A 47 2.959 11.792 -5.436 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.128 10.478 -5.047 1.00 0.00 C ATOM 703 CD2 TYR A 47 2.181 12.091 -6.536 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.493 9.420 -5.790 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.547 11.033 -7.279 1.00 0.00 C ATOM 706 CZ TYR A 47 1.734 9.750 -6.869 1.00 0.00 C ATOM 707 OH TYR A 47 1.135 8.750 -7.571 1.00 0.00 O ATOM 0 H TYR A 47 1.395 13.664 -4.047 1.00 0.00 H new ATOM 0 HA TYR A 47 3.449 12.113 -2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.422 13.866 -5.138 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.712 12.772 -4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.736 10.244 -4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.048 13.119 -6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.617 8.388 -5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.937 11.253 -8.142 1.00 0.00 H new ATOM 0 HH TYR A 47 0.624 9.133 -8.315 1.00 0.00 H new ATOM 717 N THR A 48 4.585 13.907 -1.441 1.00 0.00 N ATOM 718 CA THR A 48 5.295 14.943 -0.711 1.00 0.00 C ATOM 719 C THR A 48 6.805 14.799 -0.916 1.00 0.00 C ATOM 720 O THR A 48 7.408 13.829 -0.459 1.00 0.00 O ATOM 721 CB THR A 48 4.871 14.862 0.757 1.00 0.00 C ATOM 722 OG1 THR A 48 3.508 15.276 0.747 1.00 0.00 O ATOM 723 CG2 THR A 48 5.572 15.908 1.627 1.00 0.00 C ATOM 0 H THR A 48 4.679 12.969 -1.051 1.00 0.00 H new ATOM 0 HA THR A 48 5.040 15.935 -1.084 1.00 0.00 H new ATOM 0 HB THR A 48 5.086 13.866 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.004 14.759 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.236 15.807 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.650 15.757 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.330 16.906 1.262 1.00 0.00 H new ATOM 731 N GLN A 49 7.372 15.779 -1.604 1.00 0.00 N ATOM 732 CA GLN A 49 8.800 15.775 -1.875 1.00 0.00 C ATOM 733 C GLN A 49 9.574 16.264 -0.649 1.00 0.00 C ATOM 734 O GLN A 49 9.310 17.350 -0.137 1.00 0.00 O ATOM 735 CB GLN A 49 9.127 16.623 -3.105 1.00 0.00 C ATOM 736 CG GLN A 49 10.591 16.452 -3.516 1.00 0.00 C ATOM 737 CD GLN A 49 11.357 17.769 -3.378 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.846 18.845 -3.643 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.608 17.625 -2.950 1.00 0.00 N ATOM 0 H GLN A 49 6.868 16.581 -1.982 1.00 0.00 H new ATOM 0 HA GLN A 49 9.107 14.751 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.478 16.336 -3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.926 17.673 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.060 15.688 -2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.644 16.102 -4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.973 16.695 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.202 18.445 -2.825 1.00 0.00 H new ATOM 748 N VAL A 50 10.515 15.438 -0.215 1.00 0.00 N ATOM 749 CA VAL A 50 11.330 15.773 0.940 1.00 0.00 C ATOM 750 C VAL A 50 12.809 15.638 0.572 1.00 0.00 C ATOM 751 O VAL A 50 13.141 15.192 -0.525 1.00 0.00 O ATOM 752 CB VAL A 50 10.929 14.903 2.133 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.536 15.280 2.643 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.997 13.417 1.776 1.00 0.00 C ATOM 0 H VAL A 50 10.731 14.538 -0.643 1.00 0.00 H new ATOM 0 HA VAL A 50 11.163 16.808 1.238 1.00 0.00 H new ATOM 0 HB VAL A 50 11.642 15.088 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.275 14.647 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.533 16.324 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.806 15.138 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.707 12.821 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.318 13.210 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.015 13.159 1.483 1.00 0.00 H new ATOM 764 N GLY A 51 13.657 16.031 1.511 1.00 0.00 N ATOM 765 CA GLY A 51 15.093 15.959 1.299 1.00 0.00 C ATOM 766 C GLY A 51 15.524 16.871 0.148 1.00 0.00 C ATOM 767 O GLY A 51 14.686 17.493 -0.503 1.00 0.00 O ATOM 0 H GLY A 51 13.378 16.400 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.614 16.249 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.381 14.931 1.080 1.00 0.00 H new ATOM 771 N PRO A 52 16.865 16.922 -0.073 1.00 0.00 N ATOM 772 CA PRO A 52 17.417 17.747 -1.135 1.00 0.00 C ATOM 773 C PRO A 52 17.180 17.109 -2.505 1.00 0.00 C ATOM 774 O PRO A 52 16.873 15.921 -2.596 1.00 0.00 O ATOM 775 CB PRO A 52 18.891 17.892 -0.794 1.00 0.00 C ATOM 776 CG PRO A 52 19.206 16.768 0.181 1.00 0.00 C ATOM 777 CD PRO A 52 17.887 16.199 0.677 1.00 0.00 C ATOM 0 HA PRO A 52 16.939 18.724 -1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.508 17.817 -1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.095 18.865 -0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.797 15.993 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.799 17.142 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.826 15.126 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.770 16.348 1.750 1.00 0.00 H new ATOM 785 N ASP A 53 17.331 17.926 -3.537 1.00 0.00 N ATOM 786 CA ASP A 53 17.137 17.456 -4.898 1.00 0.00 C ATOM 787 C ASP A 53 18.097 16.297 -5.174 1.00 0.00 C ATOM 788 O ASP A 53 17.670 15.214 -5.571 1.00 0.00 O ATOM 789 CB ASP A 53 17.430 18.565 -5.910 1.00 0.00 C ATOM 790 CG ASP A 53 17.297 18.153 -7.378 1.00 0.00 C ATOM 791 OD1 ASP A 53 16.263 17.529 -7.700 1.00 0.00 O ATOM 792 OD2 ASP A 53 18.232 18.471 -8.144 1.00 0.00 O ATOM 0 H ASP A 53 17.585 18.911 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 53 16.099 17.139 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.753 19.398 -5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.443 18.932 -5.742 1.00 0.00 H new ATOM 797 N HIS A 54 19.376 16.565 -4.955 1.00 0.00 N ATOM 798 CA HIS A 54 20.400 15.559 -5.175 1.00 0.00 C ATOM 799 C HIS A 54 19.924 14.213 -4.624 1.00 0.00 C ATOM 800 O HIS A 54 20.216 13.165 -5.197 1.00 0.00 O ATOM 801 CB HIS A 54 21.737 16.004 -4.580 1.00 0.00 C ATOM 802 CG HIS A 54 21.958 15.548 -3.157 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.266 14.319 -2.653 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.866 16.403 -2.073 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.359 14.418 -1.333 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.111 15.710 -0.971 1.00 0.00 N flip ATOM 0 H HIS A 54 19.726 17.465 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 54 20.569 15.435 -6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.546 15.622 -5.203 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.795 17.092 -4.615 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.634 17.457 -2.118 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.593 13.609 -0.657 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.114 16.077 -0.019 1.00 0.00 H new ATOM 814 N ASN A 55 19.199 14.286 -3.518 1.00 0.00 N ATOM 815 CA ASN A 55 18.679 13.087 -2.883 1.00 0.00 C ATOM 816 C ASN A 55 17.352 13.413 -2.195 1.00 0.00 C ATOM 817 O ASN A 55 17.327 13.736 -1.008 1.00 0.00 O ATOM 818 CB ASN A 55 19.647 12.564 -1.819 1.00 0.00 C ATOM 819 CG ASN A 55 19.346 11.104 -1.474 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.286 10.576 -1.768 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.334 10.484 -0.836 1.00 0.00 N ATOM 0 H ASN A 55 18.959 15.157 -3.045 1.00 0.00 H new ATOM 0 HA ASN A 55 18.545 12.328 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.672 12.652 -2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.571 13.177 -0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.230 9.507 -0.562 1.00 0.00 H new ATOM 0 HD22 ASN A 55 21.196 10.985 -0.621 1.00 0.00 H new ATOM 828 N ARG A 56 16.282 13.318 -2.969 1.00 0.00 N ATOM 829 CA ARG A 56 14.954 13.599 -2.449 1.00 0.00 C ATOM 830 C ARG A 56 14.083 12.343 -2.512 1.00 0.00 C ATOM 831 O ARG A 56 14.440 11.367 -3.171 1.00 0.00 O ATOM 832 CB ARG A 56 14.279 14.720 -3.241 1.00 0.00 C ATOM 833 CG ARG A 56 14.399 14.477 -4.747 1.00 0.00 C ATOM 834 CD ARG A 56 13.203 15.070 -5.495 1.00 0.00 C ATOM 835 NE ARG A 56 13.674 15.997 -6.549 1.00 0.00 N ATOM 836 CZ ARG A 56 12.861 16.719 -7.332 1.00 0.00 C ATOM 837 NH1 ARG A 56 11.533 16.626 -7.185 1.00 0.00 N ATOM 838 NH2 ARG A 56 13.377 17.535 -8.261 1.00 0.00 N ATOM 0 H ARG A 56 16.307 13.050 -3.953 1.00 0.00 H new ATOM 0 HA ARG A 56 15.064 13.917 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.227 14.785 -2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.736 15.676 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.322 14.922 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.460 13.406 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.610 14.271 -5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.553 15.599 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 56 14.680 16.092 -6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.140 16.006 -6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.914 17.176 -7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.388 17.606 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.758 18.085 -8.857 1.00 0.00 H new ATOM 852 N SER A 57 12.957 12.407 -1.817 1.00 0.00 N ATOM 853 CA SER A 57 12.032 11.287 -1.785 1.00 0.00 C ATOM 854 C SER A 57 10.590 11.799 -1.783 1.00 0.00 C ATOM 855 O SER A 57 10.248 12.698 -1.015 1.00 0.00 O ATOM 856 CB SER A 57 12.282 10.400 -0.564 1.00 0.00 C ATOM 857 OG SER A 57 13.657 10.383 -0.190 1.00 0.00 O ATOM 0 H SER A 57 12.664 13.218 -1.271 1.00 0.00 H new ATOM 0 HA SER A 57 12.195 10.683 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.683 10.758 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.952 9.384 -0.780 1.00 0.00 H new ATOM 0 HG SER A 57 13.776 9.807 0.594 1.00 0.00 H new ATOM 863 N PHE A 58 9.783 11.206 -2.650 1.00 0.00 N ATOM 864 CA PHE A 58 8.386 11.591 -2.757 1.00 0.00 C ATOM 865 C PHE A 58 7.511 10.744 -1.830 1.00 0.00 C ATOM 866 O PHE A 58 7.279 9.566 -2.096 1.00 0.00 O ATOM 867 CB PHE A 58 7.963 11.342 -4.206 1.00 0.00 C ATOM 868 CG PHE A 58 8.466 12.398 -5.192 1.00 0.00 C ATOM 869 CD1 PHE A 58 8.108 13.701 -5.034 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.272 12.035 -6.226 1.00 0.00 C ATOM 871 CE1 PHE A 58 8.575 14.681 -5.949 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.739 13.016 -7.141 1.00 0.00 C ATOM 873 CZ PHE A 58 9.380 14.318 -6.983 1.00 0.00 C ATOM 0 H PHE A 58 10.070 10.461 -3.285 1.00 0.00 H new ATOM 0 HA PHE A 58 8.265 12.636 -2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.330 10.364 -4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.875 11.304 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.469 13.990 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.557 11.001 -6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.291 15.715 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.379 12.728 -7.962 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.734 15.064 -7.679 1.00 0.00 H new ATOM 883 N ILE A 59 7.051 11.378 -0.762 1.00 0.00 N ATOM 884 CA ILE A 59 6.207 10.697 0.206 1.00 0.00 C ATOM 885 C ILE A 59 4.776 10.629 -0.331 1.00 0.00 C ATOM 886 O ILE A 59 4.120 11.657 -0.494 1.00 0.00 O ATOM 887 CB ILE A 59 6.318 11.366 1.577 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.552 10.868 2.332 1.00 0.00 C ATOM 889 CG2 ILE A 59 5.034 11.173 2.387 1.00 0.00 C ATOM 890 CD1 ILE A 59 8.023 11.902 3.356 1.00 0.00 C ATOM 0 H ILE A 59 7.246 12.355 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 59 6.543 9.670 0.350 1.00 0.00 H new ATOM 0 HB ILE A 59 6.445 12.438 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.320 9.930 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.355 10.659 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.140 11.658 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.195 11.615 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.852 10.108 2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.901 11.523 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.278 12.830 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.226 12.091 4.075 1.00 0.00 H new ATOM 902 N ALA A 60 4.333 9.408 -0.591 1.00 0.00 N ATOM 903 CA ALA A 60 2.991 9.192 -1.106 1.00 0.00 C ATOM 904 C ALA A 60 2.031 8.968 0.064 1.00 0.00 C ATOM 905 O ALA A 60 2.104 7.946 0.745 1.00 0.00 O ATOM 906 CB ALA A 60 3.003 8.016 -2.084 1.00 0.00 C ATOM 0 H ALA A 60 4.879 8.558 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 60 2.644 10.068 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.997 7.854 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.678 8.237 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.343 7.118 -1.569 1.00 0.00 H new ATOM 912 N GLU A 61 1.152 9.940 0.261 1.00 0.00 N ATOM 913 CA GLU A 61 0.178 9.862 1.336 1.00 0.00 C ATOM 914 C GLU A 61 -1.242 9.899 0.769 1.00 0.00 C ATOM 915 O GLU A 61 -1.507 10.597 -0.209 1.00 0.00 O ATOM 916 CB GLU A 61 0.392 10.985 2.353 1.00 0.00 C ATOM 917 CG GLU A 61 -0.024 12.337 1.771 1.00 0.00 C ATOM 918 CD GLU A 61 0.345 13.479 2.721 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.563 13.710 2.885 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.599 14.095 3.261 1.00 0.00 O ATOM 0 H GLU A 61 1.094 10.786 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 61 0.316 8.914 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.186 10.780 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.441 11.019 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.464 12.488 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.099 12.344 1.589 1.00 0.00 H new ATOM 927 N MET A 62 -2.120 9.139 1.408 1.00 0.00 N ATOM 928 CA MET A 62 -3.507 9.076 0.979 1.00 0.00 C ATOM 929 C MET A 62 -4.439 8.840 2.170 1.00 0.00 C ATOM 930 O MET A 62 -4.051 8.206 3.150 1.00 0.00 O ATOM 931 CB MET A 62 -3.678 7.943 -0.035 1.00 0.00 C ATOM 932 CG MET A 62 -5.152 7.569 -0.197 1.00 0.00 C ATOM 933 SD MET A 62 -5.315 6.205 -1.336 1.00 0.00 S ATOM 934 CE MET A 62 -5.597 7.100 -2.854 1.00 0.00 C ATOM 0 H MET A 62 -1.898 8.562 2.219 1.00 0.00 H new ATOM 0 HA MET A 62 -3.769 10.029 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.269 8.248 -0.998 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.112 7.070 0.291 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.575 7.298 0.770 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.715 8.428 -0.562 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.896 6.403 -3.637 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.387 7.835 -2.701 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.680 7.609 -3.152 1.00 0.00 H new ATOM 944 N THR A 63 -5.649 9.363 2.046 1.00 0.00 N ATOM 945 CA THR A 63 -6.639 9.217 3.100 1.00 0.00 C ATOM 946 C THR A 63 -8.010 8.892 2.503 1.00 0.00 C ATOM 947 O THR A 63 -8.353 9.376 1.425 1.00 0.00 O ATOM 948 CB THR A 63 -6.630 10.498 3.937 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.308 10.557 4.466 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.523 10.394 5.175 1.00 0.00 C ATOM 0 H THR A 63 -5.967 9.889 1.232 1.00 0.00 H new ATOM 0 HA THR A 63 -6.398 8.380 3.756 1.00 0.00 H new ATOM 0 HB THR A 63 -6.958 11.336 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.296 10.159 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.481 11.329 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.551 10.201 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.175 9.577 5.807 1.00 0.00 H new ATOM 958 N ILE A 64 -8.756 8.073 3.229 1.00 0.00 N ATOM 959 CA ILE A 64 -10.082 7.676 2.785 1.00 0.00 C ATOM 960 C ILE A 64 -11.011 7.571 3.996 1.00 0.00 C ATOM 961 O ILE A 64 -10.549 7.417 5.125 1.00 0.00 O ATOM 962 CB ILE A 64 -10.007 6.394 1.954 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.992 5.414 2.547 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.710 6.707 0.486 1.00 0.00 C ATOM 965 CD1 ILE A 64 -9.268 3.986 2.075 1.00 0.00 C ATOM 0 H ILE A 64 -8.468 7.673 4.122 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.505 8.433 2.124 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.982 5.909 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.984 5.709 2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.034 5.456 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.662 5.778 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.501 7.339 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.755 7.228 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.532 3.310 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.268 3.686 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.201 3.943 0.988 1.00 0.00 H new ATOM 977 N TYR A 65 -12.303 7.659 3.719 1.00 0.00 N ATOM 978 CA TYR A 65 -13.301 7.576 4.772 1.00 0.00 C ATOM 979 C TYR A 65 -14.231 6.380 4.553 1.00 0.00 C ATOM 980 O TYR A 65 -14.709 6.156 3.443 1.00 0.00 O ATOM 981 CB TYR A 65 -14.119 8.866 4.680 1.00 0.00 C ATOM 982 CG TYR A 65 -15.374 8.870 5.556 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.489 8.153 5.168 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.392 9.590 6.733 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.670 8.158 5.992 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.573 9.594 7.557 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.654 8.878 7.146 1.00 0.00 C ATOM 988 OH TYR A 65 -18.769 8.882 7.924 1.00 0.00 O ATOM 0 H TYR A 65 -12.682 7.787 2.781 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.824 7.452 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.486 9.707 4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.412 9.025 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.475 7.589 4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.520 10.151 7.036 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.549 7.602 5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.600 10.153 8.481 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.613 9.437 8.716 1.00 0.00 H new ATOM 998 N ILE A 66 -14.459 5.644 5.631 1.00 0.00 N ATOM 999 CA ILE A 66 -15.322 4.477 5.571 1.00 0.00 C ATOM 1000 C ILE A 66 -16.651 4.795 6.259 1.00 0.00 C ATOM 1001 O ILE A 66 -16.685 5.067 7.458 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.609 3.253 6.149 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.181 3.145 5.610 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.416 1.978 5.895 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.177 3.066 4.082 1.00 0.00 C ATOM 0 H ILE A 66 -14.061 5.833 6.551 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.550 4.225 4.535 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.536 3.378 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.600 4.008 5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.698 2.260 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.887 1.123 6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.395 2.067 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.542 1.835 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.150 2.990 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.739 2.189 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.639 3.963 3.670 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.714 4.752 5.469 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.043 5.033 5.987 1.00 0.00 C ATOM 1019 C LYS A 67 -19.550 3.817 6.765 1.00 0.00 C ATOM 1020 O LYS A 67 -20.202 3.963 7.797 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.976 5.473 4.857 1.00 0.00 C ATOM 1022 CG LYS A 67 -19.963 4.461 3.709 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.519 5.120 2.402 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.444 4.728 1.248 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.260 3.301 0.899 1.00 0.00 N ATOM 0 H LYS A 67 -17.682 4.527 4.475 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.011 5.868 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.991 5.581 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.669 6.451 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.291 3.638 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -20.958 4.033 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.517 6.204 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.496 4.823 2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.482 4.909 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.235 5.351 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.895 3.051 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.274 3.138 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.482 2.710 1.726 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.231 2.643 6.239 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.646 1.402 6.871 1.00 0.00 C ATOM 1041 C GLN A 68 -19.065 1.306 8.283 1.00 0.00 C ATOM 1042 O GLN A 68 -19.497 0.474 9.080 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.238 0.193 6.026 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.720 0.137 5.848 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.287 -1.207 5.258 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.264 -1.408 4.055 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -16.946 -2.113 6.170 1.00 0.00 N ATOM 0 H GLN A 68 -18.690 2.525 5.382 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.733 1.401 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.586 -0.723 6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.721 0.247 5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.397 0.947 5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.231 0.290 6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.988 -1.879 7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.642 -3.042 5.878 1.00 0.00 H new ATOM 1056 N LEU A 69 -18.095 2.168 8.550 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.451 2.190 9.852 1.00 0.00 C ATOM 1058 C LEU A 69 -17.864 3.460 10.599 1.00 0.00 C ATOM 1059 O LEU A 69 -18.054 3.436 11.813 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.937 2.029 9.703 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.461 0.724 9.061 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.998 0.444 9.408 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.375 -0.441 9.446 1.00 0.00 C ATOM 0 H LEU A 69 -17.739 2.856 7.887 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.781 1.344 10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.560 2.862 9.109 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.484 2.111 10.691 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.519 0.835 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.685 -0.489 8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.375 1.260 9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.890 0.361 10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.015 -1.357 8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.372 -0.563 10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.390 -0.235 9.107 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.989 4.540 9.841 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.376 5.817 10.415 1.00 0.00 C ATOM 1077 C GLY A 70 -17.151 6.698 10.667 1.00 0.00 C ATOM 1078 O GLY A 70 -17.271 7.794 11.212 1.00 0.00 O ATOM 0 H GLY A 70 -17.829 4.556 8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.064 6.329 9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.909 5.652 11.351 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.999 6.187 10.258 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.753 6.913 10.432 1.00 0.00 C ATOM 1084 C ARG A 71 -13.933 6.878 9.141 1.00 0.00 C ATOM 1085 O ARG A 71 -14.414 6.415 8.108 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.923 6.319 11.572 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.557 4.862 11.281 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.147 4.757 10.697 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.289 3.945 11.588 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.614 4.438 12.636 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.695 5.742 12.931 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -9.860 3.626 13.389 1.00 0.00 N ATOM 0 H ARG A 71 -15.903 5.278 9.806 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.003 7.945 10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.015 6.906 11.709 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.484 6.378 12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.619 4.278 12.199 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.277 4.435 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.188 4.304 9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.720 5.752 10.575 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.206 2.947 11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.270 6.360 12.358 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.181 6.117 13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.800 2.633 13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.346 4.001 14.186 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.708 7.373 9.242 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.816 7.404 8.095 1.00 0.00 C ATOM 1108 C ARG A 72 -10.399 7.010 8.514 1.00 0.00 C ATOM 1109 O ARG A 72 -10.036 7.135 9.682 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.785 8.795 7.459 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.602 9.880 8.522 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.359 10.725 8.234 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.512 10.808 9.445 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.851 11.482 10.553 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.019 12.136 10.609 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -9.020 11.503 11.604 1.00 0.00 N ATOM 0 H ARG A 72 -12.312 7.756 10.101 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.193 6.691 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.972 8.850 6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.712 8.969 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.484 10.521 8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.513 9.419 9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.792 10.285 7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.654 11.725 7.917 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.615 10.322 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.651 12.121 9.808 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.276 12.649 11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.130 11.006 11.561 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.277 12.016 12.447 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.635 6.542 7.537 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.266 6.129 7.790 1.00 0.00 C ATOM 1132 C ILE A 73 -7.312 7.032 7.005 1.00 0.00 C ATOM 1133 O ILE A 73 -7.751 7.873 6.222 1.00 0.00 O ATOM 1134 CB ILE A 73 -8.090 4.639 7.488 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.875 4.238 6.237 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.468 3.786 8.701 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -8.803 2.727 6.007 1.00 0.00 C ATOM 0 H ILE A 73 -9.939 6.440 6.569 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.022 6.247 8.846 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.036 4.453 7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.916 4.544 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.475 4.761 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.334 2.731 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.830 4.050 9.544 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.510 3.969 8.964 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.369 2.468 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.763 2.428 5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.226 2.208 6.867 1.00 0.00 H new ATOM 1149 N PHE A 74 -6.025 6.826 7.240 1.00 0.00 N ATOM 1150 CA PHE A 74 -5.005 7.611 6.565 1.00 0.00 C ATOM 1151 C PHE A 74 -3.717 6.804 6.391 1.00 0.00 C ATOM 1152 O PHE A 74 -3.514 5.798 7.070 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.717 8.826 7.449 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.361 9.482 7.182 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.215 8.855 7.564 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.300 10.691 6.564 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -0.957 9.464 7.316 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.041 11.300 6.317 1.00 0.00 C ATOM 1159 CZ PHE A 74 -0.896 10.673 6.698 1.00 0.00 C ATOM 0 H PHE A 74 -5.665 6.126 7.889 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.355 7.903 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.503 9.566 7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.762 8.521 8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.263 7.895 8.056 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.209 11.189 6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.048 8.966 7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.993 12.261 5.827 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.062 11.136 6.510 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.880 7.275 5.479 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.617 6.610 5.207 1.00 0.00 C ATOM 1171 C ALA A 75 -0.602 7.638 4.703 1.00 0.00 C ATOM 1172 O ALA A 75 -0.981 8.710 4.234 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.843 5.474 4.208 1.00 0.00 C ATOM 0 H ALA A 75 -3.052 8.110 4.919 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.212 6.167 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.896 4.975 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.548 4.756 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.246 5.880 3.280 1.00 0.00 H new ATOM 1179 N ARG A 76 0.667 7.274 4.816 1.00 0.00 N ATOM 1180 CA ARG A 76 1.739 8.151 4.377 1.00 0.00 C ATOM 1181 C ARG A 76 3.091 7.450 4.522 1.00 0.00 C ATOM 1182 O ARG A 76 3.604 7.308 5.631 1.00 0.00 O ATOM 1183 CB ARG A 76 1.755 9.449 5.186 1.00 0.00 C ATOM 1184 CG ARG A 76 2.826 10.408 4.663 1.00 0.00 C ATOM 1185 CD ARG A 76 3.894 10.670 5.728 1.00 0.00 C ATOM 1186 NE ARG A 76 3.682 12.001 6.340 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.129 12.349 7.554 1.00 0.00 C ATOM 1188 NH1 ARG A 76 4.816 11.468 8.293 1.00 0.00 N ATOM 1189 NH2 ARG A 76 3.890 13.580 8.028 1.00 0.00 N ATOM 0 H ARG A 76 0.977 6.384 5.205 1.00 0.00 H new ATOM 0 HA ARG A 76 1.562 8.392 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.777 9.927 5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.944 9.225 6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.292 9.988 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.363 11.350 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.852 9.897 6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.886 10.620 5.280 1.00 0.00 H new ATOM 0 HE ARG A 76 3.163 12.697 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.999 10.532 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.156 11.733 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.368 14.251 7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.230 13.846 8.952 1.00 0.00 H new ATOM 1203 N GLU A 77 3.629 7.031 3.386 1.00 0.00 N ATOM 1204 CA GLU A 77 4.912 6.349 3.373 1.00 0.00 C ATOM 1205 C GLU A 77 5.885 7.065 2.433 1.00 0.00 C ATOM 1206 O GLU A 77 5.505 8.011 1.745 1.00 0.00 O ATOM 1207 CB GLU A 77 4.748 4.880 2.977 1.00 0.00 C ATOM 1208 CG GLU A 77 3.915 4.123 4.013 1.00 0.00 C ATOM 1209 CD GLU A 77 4.701 3.927 5.312 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.838 3.415 5.215 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.149 4.295 6.371 1.00 0.00 O ATOM 0 H GLU A 77 3.200 7.151 2.468 1.00 0.00 H new ATOM 0 HA GLU A 77 5.326 6.376 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.268 4.814 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.729 4.413 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.997 4.673 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.622 3.153 3.611 1.00 0.00 H new ATOM 1218 N HIS A 78 7.119 6.585 2.434 1.00 0.00 N ATOM 1219 CA HIS A 78 8.149 7.167 1.590 1.00 0.00 C ATOM 1220 C HIS A 78 8.669 6.111 0.612 1.00 0.00 C ATOM 1221 O HIS A 78 9.333 5.158 1.017 1.00 0.00 O ATOM 1222 CB HIS A 78 9.261 7.787 2.438 1.00 0.00 C ATOM 1223 CG HIS A 78 9.650 6.960 3.640 1.00 0.00 C ATOM 1224 ND1 HIS A 78 10.511 5.879 3.559 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.290 7.067 4.951 1.00 0.00 C ATOM 1226 CE1 HIS A 78 10.653 5.366 4.772 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.895 6.103 5.633 1.00 0.00 N ATOM 0 H HIS A 78 7.430 5.799 3.006 1.00 0.00 H new ATOM 0 HA HIS A 78 7.724 7.980 1.001 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.141 7.936 1.812 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.940 8.772 2.776 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.960 5.536 2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.625 7.811 5.364 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.262 4.513 5.033 1.00 0.00 H new ATOM 1235 N GLY A 79 8.347 6.316 -0.657 1.00 0.00 N ATOM 1236 CA GLY A 79 8.773 5.394 -1.696 1.00 0.00 C ATOM 1237 C GLY A 79 9.812 6.043 -2.613 1.00 0.00 C ATOM 1238 O GLY A 79 9.708 7.225 -2.936 1.00 0.00 O ATOM 0 H GLY A 79 7.796 7.107 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.194 4.497 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.911 5.079 -2.283 1.00 0.00 H new ATOM 1242 N SER A 80 10.791 5.241 -3.005 1.00 0.00 N ATOM 1243 CA SER A 80 11.848 5.722 -3.878 1.00 0.00 C ATOM 1244 C SER A 80 11.242 6.387 -5.116 1.00 0.00 C ATOM 1245 O SER A 80 11.636 7.492 -5.486 1.00 0.00 O ATOM 1246 CB SER A 80 12.783 4.584 -4.291 1.00 0.00 C ATOM 1247 OG SER A 80 13.672 4.216 -3.241 1.00 0.00 O ATOM 0 H SER A 80 10.874 4.261 -2.734 1.00 0.00 H new ATOM 0 HA SER A 80 12.436 6.457 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.191 3.717 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.360 4.888 -5.165 1.00 0.00 H new ATOM 0 HG SER A 80 14.251 3.486 -3.544 1.00 0.00 H new ATOM 1253 N ASN A 81 10.295 5.686 -5.721 1.00 0.00 N ATOM 1254 CA ASN A 81 9.631 6.194 -6.909 1.00 0.00 C ATOM 1255 C ASN A 81 8.125 6.270 -6.653 1.00 0.00 C ATOM 1256 O ASN A 81 7.560 5.404 -5.986 1.00 0.00 O ATOM 1257 CB ASN A 81 9.861 5.270 -8.107 1.00 0.00 C ATOM 1258 CG ASN A 81 9.713 3.802 -7.703 1.00 0.00 C ATOM 1259 OD1 ASN A 81 8.772 3.121 -8.076 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.692 3.354 -6.922 1.00 0.00 N ATOM 0 H ASN A 81 9.971 4.770 -5.411 1.00 0.00 H new ATOM 0 HA ASN A 81 10.042 7.179 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.148 5.507 -8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.857 5.440 -8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.684 2.387 -6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.451 3.978 -6.647 1.00 0.00 H new ATOM 1267 N LYS A 82 7.516 7.314 -7.197 1.00 0.00 N ATOM 1268 CA LYS A 82 6.086 7.514 -7.036 1.00 0.00 C ATOM 1269 C LYS A 82 5.370 6.167 -7.154 1.00 0.00 C ATOM 1270 O LYS A 82 4.509 5.844 -6.338 1.00 0.00 O ATOM 1271 CB LYS A 82 5.578 8.568 -8.022 1.00 0.00 C ATOM 1272 CG LYS A 82 5.859 9.981 -7.506 1.00 0.00 C ATOM 1273 CD LYS A 82 4.965 11.008 -8.205 1.00 0.00 C ATOM 1274 CE LYS A 82 5.803 12.032 -8.972 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.731 11.776 -10.428 1.00 0.00 N ATOM 0 H LYS A 82 7.987 8.030 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 82 5.866 7.907 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.059 8.428 -8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.507 8.440 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.690 10.019 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.907 10.232 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.288 10.499 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.346 11.519 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.445 13.039 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.840 11.984 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.306 12.480 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.094 10.823 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.743 11.845 -10.744 1.00 0.00 H new ATOM 1289 N LYS A 83 5.754 5.417 -8.177 1.00 0.00 N ATOM 1290 CA LYS A 83 5.160 4.112 -8.412 1.00 0.00 C ATOM 1291 C LYS A 83 5.171 3.309 -7.110 1.00 0.00 C ATOM 1292 O LYS A 83 4.123 2.874 -6.636 1.00 0.00 O ATOM 1293 CB LYS A 83 5.860 3.406 -9.575 1.00 0.00 C ATOM 1294 CG LYS A 83 4.861 3.038 -10.674 1.00 0.00 C ATOM 1295 CD LYS A 83 4.939 4.026 -11.840 1.00 0.00 C ATOM 1296 CE LYS A 83 5.302 3.311 -13.142 1.00 0.00 C ATOM 1297 NZ LYS A 83 6.728 2.915 -13.137 1.00 0.00 N ATOM 0 H LYS A 83 6.469 5.688 -8.852 1.00 0.00 H new ATOM 0 HA LYS A 83 4.118 4.217 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.635 4.054 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.356 2.505 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.065 2.029 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.851 3.032 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.982 4.534 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.683 4.793 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.674 2.429 -13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.103 3.966 -13.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.957 2.431 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.323 3.762 -13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.907 2.273 -12.339 1.00 0.00 H new ATOM 1311 N LEU A 84 6.368 3.137 -6.568 1.00 0.00 N ATOM 1312 CA LEU A 84 6.529 2.394 -5.330 1.00 0.00 C ATOM 1313 C LEU A 84 5.780 3.114 -4.207 1.00 0.00 C ATOM 1314 O LEU A 84 4.931 2.522 -3.543 1.00 0.00 O ATOM 1315 CB LEU A 84 8.012 2.164 -5.032 1.00 0.00 C ATOM 1316 CG LEU A 84 8.459 2.445 -3.595 1.00 0.00 C ATOM 1317 CD1 LEU A 84 7.558 1.725 -2.591 1.00 0.00 C ATOM 1318 CD2 LEU A 84 9.934 2.089 -3.401 1.00 0.00 C ATOM 0 H LEU A 84 7.235 3.500 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 84 6.089 1.401 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.254 1.128 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.599 2.791 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 84 8.359 3.514 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.897 1.941 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.531 2.070 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.603 0.650 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.226 2.298 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.084 1.030 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.544 2.685 -4.080 1.00 0.00 H new ATOM 1330 N ALA A 85 6.123 4.382 -4.029 1.00 0.00 N ATOM 1331 CA ALA A 85 5.494 5.189 -2.997 1.00 0.00 C ATOM 1332 C ALA A 85 3.998 4.872 -2.950 1.00 0.00 C ATOM 1333 O ALA A 85 3.508 4.318 -1.967 1.00 0.00 O ATOM 1334 CB ALA A 85 5.768 6.669 -3.269 1.00 0.00 C ATOM 0 H ALA A 85 6.828 4.870 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 85 5.912 4.955 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.296 7.275 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.843 6.847 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.360 6.942 -4.242 1.00 0.00 H new ATOM 1340 N ALA A 86 3.313 5.238 -4.024 1.00 0.00 N ATOM 1341 CA ALA A 86 1.883 5.000 -4.117 1.00 0.00 C ATOM 1342 C ALA A 86 1.566 3.607 -3.568 1.00 0.00 C ATOM 1343 O ALA A 86 0.687 3.456 -2.720 1.00 0.00 O ATOM 1344 CB ALA A 86 1.430 5.171 -5.568 1.00 0.00 C ATOM 0 H ALA A 86 3.722 5.698 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 86 1.333 5.725 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.357 4.992 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.651 6.185 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.958 4.458 -6.201 1.00 0.00 H new ATOM 1350 N GLN A 87 2.297 2.626 -4.073 1.00 0.00 N ATOM 1351 CA GLN A 87 2.105 1.251 -3.644 1.00 0.00 C ATOM 1352 C GLN A 87 2.032 1.177 -2.118 1.00 0.00 C ATOM 1353 O GLN A 87 1.000 0.809 -1.559 1.00 0.00 O ATOM 1354 CB GLN A 87 3.214 0.347 -4.185 1.00 0.00 C ATOM 1355 CG GLN A 87 2.644 -0.724 -5.117 1.00 0.00 C ATOM 1356 CD GLN A 87 3.606 -1.907 -5.247 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.212 -3.061 -5.257 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.885 -1.556 -5.345 1.00 0.00 N ATOM 0 H GLN A 87 3.024 2.755 -4.776 1.00 0.00 H new ATOM 0 HA GLN A 87 1.160 0.893 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.948 0.948 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.737 -0.129 -3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.685 -1.071 -4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.457 -0.293 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.146 -0.570 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.605 -2.273 -5.435 1.00 0.00 H new ATOM 1367 N SER A 88 3.142 1.532 -1.486 1.00 0.00 N ATOM 1368 CA SER A 88 3.217 1.510 -0.036 1.00 0.00 C ATOM 1369 C SER A 88 1.939 2.099 0.564 1.00 0.00 C ATOM 1370 O SER A 88 1.252 1.439 1.341 1.00 0.00 O ATOM 1371 CB SER A 88 4.441 2.280 0.464 1.00 0.00 C ATOM 1372 OG SER A 88 5.564 1.426 0.664 1.00 0.00 O ATOM 0 H SER A 88 3.996 1.836 -1.953 1.00 0.00 H new ATOM 0 HA SER A 88 3.317 0.473 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.700 3.056 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.196 2.782 1.400 1.00 0.00 H new ATOM 0 HG SER A 88 6.325 1.955 0.981 1.00 0.00 H new ATOM 1378 N CYS A 89 1.658 3.336 0.179 1.00 0.00 N ATOM 1379 CA CYS A 89 0.474 4.021 0.668 1.00 0.00 C ATOM 1380 C CYS A 89 -0.720 3.074 0.534 1.00 0.00 C ATOM 1381 O CYS A 89 -1.352 2.721 1.529 1.00 0.00 O ATOM 1382 CB CYS A 89 0.240 5.342 -0.068 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.675 6.505 1.009 1.00 0.00 S ATOM 0 H CYS A 89 2.230 3.881 -0.466 1.00 0.00 H new ATOM 0 HA CYS A 89 0.611 4.284 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.195 5.779 -0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.323 5.163 -0.984 1.00 0.00 H new ATOM 0 HG CYS A 89 0.014 6.731 2.088 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.992 2.688 -0.704 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.099 1.788 -0.981 1.00 0.00 C ATOM 1391 C ALA A 90 -2.139 0.693 0.086 1.00 0.00 C ATOM 1392 O ALA A 90 -3.102 0.597 0.846 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.953 1.220 -2.394 1.00 0.00 C ATOM 0 H ALA A 90 -0.465 2.982 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.048 2.322 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.783 0.545 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.959 2.036 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.013 0.674 -2.471 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.082 -0.106 0.109 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.985 -1.191 1.071 1.00 0.00 C ATOM 1401 C LEU A 91 -1.379 -0.675 2.457 1.00 0.00 C ATOM 1402 O LEU A 91 -2.109 -1.344 3.187 1.00 0.00 O ATOM 1403 CB LEU A 91 0.406 -1.826 1.023 1.00 0.00 C ATOM 1404 CG LEU A 91 0.649 -2.982 1.996 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.197 -4.200 1.621 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.139 -3.322 2.081 1.00 0.00 C ATOM 0 H LEU A 91 -0.286 -0.024 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.683 -1.989 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.585 -2.186 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.145 -1.050 1.220 1.00 0.00 H new ATOM 0 HG LEU A 91 0.334 -2.665 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.006 -5.007 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.253 -3.933 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.064 -4.529 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.285 -4.146 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.503 -3.612 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.692 -2.450 2.429 1.00 0.00 H new ATOM 1418 N SER A 92 -0.878 0.509 2.777 1.00 0.00 N ATOM 1419 CA SER A 92 -1.168 1.122 4.062 1.00 0.00 C ATOM 1420 C SER A 92 -2.676 1.110 4.318 1.00 0.00 C ATOM 1421 O SER A 92 -3.130 0.632 5.356 1.00 0.00 O ATOM 1422 CB SER A 92 -0.630 2.552 4.124 1.00 0.00 C ATOM 1423 OG SER A 92 -0.382 2.972 5.463 1.00 0.00 O ATOM 0 H SER A 92 -0.273 1.060 2.168 1.00 0.00 H new ATOM 0 HA SER A 92 -0.669 0.542 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.292 2.618 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.346 3.229 3.658 1.00 0.00 H new ATOM 0 HG SER A 92 0.240 3.729 5.458 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.412 1.643 3.354 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.860 1.701 3.462 1.00 0.00 C ATOM 1431 C LEU A 93 -5.427 0.280 3.422 1.00 0.00 C ATOM 1432 O LEU A 93 -6.307 -0.063 4.209 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.441 2.625 2.390 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.933 4.069 2.402 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.834 4.603 3.832 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.605 4.189 1.652 1.00 0.00 C ATOM 0 H LEU A 93 -3.033 2.039 2.494 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.154 2.136 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.227 2.194 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.525 2.641 2.501 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.657 4.691 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.471 5.630 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.818 4.575 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.142 3.985 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.266 5.225 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.859 3.552 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.742 3.875 0.617 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.899 -0.507 2.496 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.342 -1.883 2.343 1.00 0.00 C ATOM 1450 C VAL A 94 -5.295 -2.583 3.702 1.00 0.00 C ATOM 1451 O VAL A 94 -6.241 -3.271 4.083 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.499 -2.588 1.278 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -4.951 -4.038 1.093 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.543 -1.826 -0.048 1.00 0.00 C ATOM 0 H VAL A 94 -4.169 -0.219 1.844 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.375 -1.916 1.996 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.465 -2.601 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.336 -4.516 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.844 -4.575 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.995 -4.057 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.936 -2.348 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.573 -1.767 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.151 -0.819 0.098 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.184 -2.384 4.397 1.00 0.00 N ATOM 1465 CA ARG A 95 -4.002 -2.988 5.706 1.00 0.00 C ATOM 1466 C ARG A 95 -5.096 -2.515 6.666 1.00 0.00 C ATOM 1467 O ARG A 95 -5.998 -3.278 7.008 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.633 -2.635 6.289 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.506 -3.237 5.448 1.00 0.00 C ATOM 1470 CD ARG A 95 -1.304 -4.717 5.779 1.00 0.00 C ATOM 1471 NE ARG A 95 -0.144 -4.880 6.683 1.00 0.00 N ATOM 1472 CZ ARG A 95 0.337 -6.065 7.081 1.00 0.00 C ATOM 1473 NH1 ARG A 95 -0.239 -7.198 6.659 1.00 0.00 N ATOM 1474 NH2 ARG A 95 1.395 -6.117 7.903 1.00 0.00 N ATOM 0 H ARG A 95 -3.401 -1.813 4.078 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.064 -4.069 5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.521 -1.552 6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.564 -3.003 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.739 -3.126 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.580 -2.691 5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.201 -5.119 6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.144 -5.284 4.862 1.00 0.00 H new ATOM 0 HE ARG A 95 0.318 -4.037 7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.044 -7.159 6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.128 -8.100 6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.833 -5.254 8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.761 -7.019 8.206 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.979 -1.260 7.072 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.946 -0.676 7.986 1.00 0.00 C ATOM 1490 C GLN A 96 -7.368 -1.067 7.575 1.00 0.00 C ATOM 1491 O GLN A 96 -8.222 -1.303 8.428 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.793 0.845 8.049 1.00 0.00 C ATOM 1493 CG GLN A 96 -5.690 1.444 6.646 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.873 2.738 6.660 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -5.317 3.788 6.226 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -3.657 2.603 7.183 1.00 0.00 N ATOM 0 H GLN A 96 -4.229 -0.631 6.785 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.755 -1.069 8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.646 1.278 8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.903 1.101 8.624 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.225 0.724 5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.689 1.645 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.348 1.694 7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.034 3.408 7.239 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.577 -1.123 6.268 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.880 -1.481 5.733 1.00 0.00 C ATOM 1507 C LEU A 97 -9.262 -2.878 6.227 1.00 0.00 C ATOM 1508 O LEU A 97 -10.298 -3.052 6.867 1.00 0.00 O ATOM 1509 CB LEU A 97 -8.890 -1.343 4.209 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.100 0.071 3.666 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.631 0.176 2.213 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.556 0.511 3.831 1.00 0.00 C ATOM 0 H LEU A 97 -6.866 -0.926 5.564 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.644 -0.794 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.944 -1.722 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.676 -1.984 3.811 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.488 0.756 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.792 1.192 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.570 -0.066 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.197 -0.522 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.678 1.520 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.207 -0.173 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.822 0.500 4.888 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.406 -3.838 5.909 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.641 -5.214 6.312 1.00 0.00 C ATOM 1526 C TYR A 98 -8.803 -5.321 7.830 1.00 0.00 C ATOM 1527 O TYR A 98 -9.823 -5.807 8.316 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.397 -5.997 5.887 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.291 -7.386 6.518 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -6.734 -7.534 7.772 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -7.752 -8.492 5.833 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -6.634 -8.842 8.366 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -7.652 -9.801 6.427 1.00 0.00 C ATOM 1534 CZ TYR A 98 -7.097 -9.911 7.664 1.00 0.00 C ATOM 1535 OH TYR A 98 -7.003 -11.146 8.225 1.00 0.00 O ATOM 0 H TYR A 98 -7.549 -3.690 5.377 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.553 -5.597 5.854 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.399 -6.101 4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.510 -5.421 6.150 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -6.373 -6.669 8.308 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.188 -8.376 4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.201 -8.971 9.347 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -8.009 -10.675 5.902 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.374 -11.813 7.611 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.782 -4.859 8.536 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.797 -4.896 9.988 1.00 0.00 C ATOM 1547 C HIS A 99 -9.194 -4.531 10.496 1.00 0.00 C ATOM 1548 O HIS A 99 -9.865 -5.351 11.121 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.703 -3.998 10.567 1.00 0.00 C ATOM 1550 CG HIS A 99 -7.212 -2.949 11.526 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -8.075 -3.242 12.568 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.971 -1.608 11.592 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.335 -2.121 13.224 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.651 -1.109 12.617 1.00 0.00 N ATOM 0 H HIS A 99 -6.938 -4.457 8.129 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.575 -5.906 10.331 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.971 -4.621 11.081 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.182 -3.504 9.747 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.335 -1.047 10.923 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.976 -2.025 14.088 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.660 -0.130 12.903 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.590 -3.300 10.208 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.894 -2.816 10.627 1.00 0.00 C ATOM 1564 C LEU A 100 -11.968 -3.815 10.192 1.00 0.00 C ATOM 1565 O LEU A 100 -12.835 -4.184 10.983 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.130 -1.395 10.110 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.385 -0.281 10.847 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.044 0.871 9.900 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -11.177 0.196 12.066 1.00 0.00 C ATOM 0 H LEU A 100 -9.030 -2.623 9.689 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.943 -2.747 11.714 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.846 -1.361 9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.198 -1.185 10.159 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.442 -0.687 11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.515 1.649 10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.411 0.503 9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.963 1.283 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.625 0.988 12.572 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.146 0.578 11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.326 -0.638 12.752 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.875 -4.225 8.935 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.828 -5.174 8.385 1.00 0.00 C ATOM 1583 C GLY A 101 -13.574 -4.573 7.192 1.00 0.00 C ATOM 1584 O GLY A 101 -14.804 -4.584 7.155 1.00 0.00 O ATOM 0 H GLY A 101 -11.154 -3.917 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.307 -6.079 8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.542 -5.466 9.155 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.799 -4.064 6.246 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.371 -3.460 5.055 1.00 0.00 C ATOM 1590 C VAL A 102 -13.103 -4.365 3.851 1.00 0.00 C ATOM 1591 O VAL A 102 -14.000 -4.617 3.048 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.823 -2.043 4.872 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.477 -1.353 3.673 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.003 -1.216 6.146 1.00 0.00 C ATOM 0 H VAL A 102 -11.780 -4.057 6.280 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.452 -3.365 5.156 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.754 -2.121 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.070 -0.348 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.274 -1.926 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.554 -1.293 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.605 -0.214 5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.063 -1.151 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.469 -1.693 6.968 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.865 -4.829 3.763 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.469 -5.701 2.671 1.00 0.00 C ATOM 1606 C ILE A 103 -11.388 -7.142 3.177 1.00 0.00 C ATOM 1607 O ILE A 103 -11.602 -7.401 4.361 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.172 -5.200 2.030 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.132 -4.854 3.097 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.443 -4.024 1.091 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.751 -4.648 2.470 1.00 0.00 C ATOM 0 H ILE A 103 -11.123 -4.617 4.430 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.218 -5.684 1.879 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.757 -6.006 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.434 -3.950 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.084 -5.654 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.505 -3.688 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.124 -4.339 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.893 -3.206 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.030 -4.403 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.441 -5.562 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.797 -3.832 1.749 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.079 -8.043 2.256 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.967 -9.451 2.595 1.00 0.00 C ATOM 1625 C GLU A 104 -9.648 -10.021 2.069 1.00 0.00 C ATOM 1626 O GLU A 104 -9.173 -9.618 1.008 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.160 -10.241 2.054 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.302 -10.054 0.542 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.672 -9.473 0.187 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.078 -8.514 0.878 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.283 -10.002 -0.767 1.00 0.00 O ATOM 0 H GLU A 104 -10.903 -7.825 1.275 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.973 -9.545 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.034 -11.299 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.073 -9.914 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.517 -9.391 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.168 -11.012 0.039 1.00 0.00 H new