USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 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 92 SER OG : rot 104:sc= 0.14 USER MOD Set 1.2: A 96 GLN : amide:sc= -2.25! K(o=-2.1!,f=-1.2) USER MOD Set 2.1: A 24 THR OG1 : rot -113:sc= 0.308! USER MOD Set 2.2: A 27 ASN : amide:sc= -2.24! C(o=-1.9!,f=-15!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 34 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.77) USER MOD Single : A 35 TYR OH : rot 0:sc= -2.4! USER MOD Single : A 37 GLN : amide:sc= -0.355 K(o=-0.36,f=-2!) 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= -0.23 K(o=-0.23,f=-1.5!) USER MOD Single : A 45 TYR OH : rot 89:sc= -6.79! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.567 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.61! K(o=-2.6!,f=-2.1) USER MOD Single : A 54 HIS : no HD1:sc= -5.81! K(o=-5.8!,f=-4) USER MOD Single : A 55 ASN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 57 SER OG : rot 180:sc=-0.000637 USER MOD Single : A 62 MET CE :methyl -137:sc= -6.61 (180deg=-13.8!) USER MOD Single : A 63 THR OG1 : rot -79:sc= 0.266! 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 X(o=0,f=-0.2) USER MOD Single : A 78 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-2!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -2.98! C(o=-3!,f=-18!) 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= -7.12! C(o=-7.1!,f=-17!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 103:sc= 0.0833 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -2.082 -10.077 0.642 1.00 0.00 N ATOM 277 CA TRP A 23 -2.212 -8.752 0.060 1.00 0.00 C ATOM 278 C TRP A 23 -0.805 -8.209 -0.196 1.00 0.00 C ATOM 279 O TRP A 23 -0.148 -7.719 0.721 1.00 0.00 O ATOM 280 CB TRP A 23 -3.051 -7.839 0.956 1.00 0.00 C ATOM 281 CG TRP A 23 -4.557 -8.099 0.873 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.384 -8.476 1.857 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.385 -7.985 -0.303 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.680 -8.613 1.403 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.681 -8.305 0.048 1.00 0.00 C ATOM 286 CE3 TRP A 23 -5.051 -7.623 -1.620 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.746 -8.295 -0.861 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -6.127 -7.619 -2.516 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.437 -7.938 -2.178 1.00 0.00 C ATOM 0 HA TRP A 23 -2.746 -8.798 -0.889 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.727 -7.964 1.989 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.856 -6.802 0.684 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.075 -8.651 2.877 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.489 -8.890 1.960 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.044 -7.368 -1.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.752 -8.549 -0.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.925 -7.349 -3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.213 -7.910 -2.929 1.00 0.00 H new ATOM 300 N THR A 24 -0.383 -8.313 -1.448 1.00 0.00 N ATOM 301 CA THR A 24 0.934 -7.838 -1.837 1.00 0.00 C ATOM 302 C THR A 24 0.852 -6.398 -2.349 1.00 0.00 C ATOM 303 O THR A 24 -0.146 -6.005 -2.950 1.00 0.00 O ATOM 304 CB THR A 24 1.505 -8.817 -2.865 1.00 0.00 C ATOM 305 OG1 THR A 24 0.785 -8.525 -4.060 1.00 0.00 O ATOM 306 CG2 THR A 24 1.140 -10.270 -2.556 1.00 0.00 C ATOM 0 H THR A 24 -0.931 -8.720 -2.206 1.00 0.00 H new ATOM 0 HA THR A 24 1.612 -7.808 -0.984 1.00 0.00 H new ATOM 0 HB THR A 24 2.590 -8.715 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.209 -9.284 -4.289 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.570 -10.923 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.534 -10.544 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.056 -10.380 -2.554 1.00 0.00 H new ATOM 314 N LEU A 25 1.915 -5.651 -2.090 1.00 0.00 N ATOM 315 CA LEU A 25 1.977 -4.264 -2.517 1.00 0.00 C ATOM 316 C LEU A 25 1.214 -4.106 -3.835 1.00 0.00 C ATOM 317 O LEU A 25 0.460 -3.150 -4.009 1.00 0.00 O ATOM 318 CB LEU A 25 3.429 -3.788 -2.586 1.00 0.00 C ATOM 319 CG LEU A 25 4.004 -3.198 -1.297 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.509 -3.455 -1.199 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.667 -1.710 -1.177 1.00 0.00 C ATOM 0 H LEU A 25 2.740 -5.980 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 25 1.490 -3.619 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.053 -4.630 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.507 -3.037 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 25 3.536 -3.703 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.892 -3.025 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.696 -4.529 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.013 -2.994 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.087 -1.315 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.089 -1.172 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.585 -1.582 -1.167 1.00 0.00 H new ATOM 333 N GLU A 26 1.438 -5.058 -4.728 1.00 0.00 N ATOM 334 CA GLU A 26 0.782 -5.037 -6.025 1.00 0.00 C ATOM 335 C GLU A 26 -0.727 -5.226 -5.859 1.00 0.00 C ATOM 336 O GLU A 26 -1.509 -4.342 -6.205 1.00 0.00 O ATOM 337 CB GLU A 26 1.369 -6.100 -6.954 1.00 0.00 C ATOM 338 CG GLU A 26 2.592 -5.562 -7.699 1.00 0.00 C ATOM 339 CD GLU A 26 3.313 -6.683 -8.452 1.00 0.00 C ATOM 340 OE1 GLU A 26 3.770 -7.624 -7.767 1.00 0.00 O ATOM 341 OE2 GLU A 26 3.391 -6.574 -9.694 1.00 0.00 O ATOM 0 H GLU A 26 2.064 -5.849 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 26 0.958 -4.064 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.650 -6.980 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.613 -6.419 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.283 -4.788 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.277 -5.095 -6.991 1.00 0.00 H new ATOM 348 N ASN A 27 -1.091 -6.385 -5.329 1.00 0.00 N ATOM 349 CA ASN A 27 -2.493 -6.702 -5.113 1.00 0.00 C ATOM 350 C ASN A 27 -3.189 -5.501 -4.470 1.00 0.00 C ATOM 351 O ASN A 27 -4.126 -4.944 -5.039 1.00 0.00 O ATOM 352 CB ASN A 27 -2.648 -7.898 -4.172 1.00 0.00 C ATOM 353 CG ASN A 27 -1.997 -9.150 -4.764 1.00 0.00 C ATOM 354 OD1 ASN A 27 -1.193 -9.819 -4.136 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.387 -9.427 -6.005 1.00 0.00 N ATOM 0 H ASN A 27 -0.439 -7.116 -5.043 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.938 -6.943 -6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.193 -7.668 -3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.706 -8.086 -3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.009 -10.242 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.064 -8.825 -6.473 1.00 0.00 H new ATOM 362 N ALA A 28 -2.705 -5.138 -3.291 1.00 0.00 N ATOM 363 CA ALA A 28 -3.269 -4.013 -2.564 1.00 0.00 C ATOM 364 C ALA A 28 -3.661 -2.915 -3.556 1.00 0.00 C ATOM 365 O ALA A 28 -4.840 -2.600 -3.705 1.00 0.00 O ATOM 366 CB ALA A 28 -2.264 -3.524 -1.520 1.00 0.00 C ATOM 0 H ALA A 28 -1.928 -5.603 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.171 -4.314 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.687 -2.680 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.042 -4.332 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.346 -3.211 -2.017 1.00 0.00 H new ATOM 372 N LYS A 29 -2.648 -2.363 -4.208 1.00 0.00 N ATOM 373 CA LYS A 29 -2.872 -1.308 -5.181 1.00 0.00 C ATOM 374 C LYS A 29 -4.074 -1.671 -6.055 1.00 0.00 C ATOM 375 O LYS A 29 -5.147 -1.085 -5.916 1.00 0.00 O ATOM 376 CB LYS A 29 -1.594 -1.033 -5.977 1.00 0.00 C ATOM 377 CG LYS A 29 -1.158 0.426 -5.826 1.00 0.00 C ATOM 378 CD LYS A 29 -0.204 0.832 -6.952 1.00 0.00 C ATOM 379 CE LYS A 29 0.015 2.346 -6.966 1.00 0.00 C ATOM 380 NZ LYS A 29 -0.891 2.992 -7.941 1.00 0.00 N ATOM 0 H LYS A 29 -1.671 -2.627 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.115 -0.372 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.797 -1.692 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.761 -1.259 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.034 1.074 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.669 0.565 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.752 0.324 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.610 0.511 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.162 2.754 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.051 2.567 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.729 4.019 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.703 2.615 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.878 2.796 -7.680 1.00 0.00 H new ATOM 394 N ALA A 30 -3.855 -2.637 -6.935 1.00 0.00 N ATOM 395 CA ALA A 30 -4.907 -3.086 -7.832 1.00 0.00 C ATOM 396 C ALA A 30 -6.230 -3.151 -7.066 1.00 0.00 C ATOM 397 O ALA A 30 -7.291 -2.886 -7.628 1.00 0.00 O ATOM 398 CB ALA A 30 -4.518 -4.434 -8.440 1.00 0.00 C ATOM 0 H ALA A 30 -2.964 -3.122 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.037 -2.383 -8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.307 -4.771 -9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.587 -4.327 -8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.382 -5.166 -7.644 1.00 0.00 H new ATOM 404 N ARG A 31 -6.123 -3.506 -5.793 1.00 0.00 N ATOM 405 CA ARG A 31 -7.298 -3.610 -4.944 1.00 0.00 C ATOM 406 C ARG A 31 -7.950 -2.237 -4.771 1.00 0.00 C ATOM 407 O ARG A 31 -9.078 -2.021 -5.211 1.00 0.00 O ATOM 408 CB ARG A 31 -6.935 -4.172 -3.569 1.00 0.00 C ATOM 409 CG ARG A 31 -7.857 -5.334 -3.191 1.00 0.00 C ATOM 410 CD ARG A 31 -9.323 -4.973 -3.440 1.00 0.00 C ATOM 411 NE ARG A 31 -10.154 -5.420 -2.300 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.493 -5.378 -2.285 1.00 0.00 C ATOM 413 NH1 ARG A 31 -12.161 -4.911 -3.348 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.165 -5.804 -1.206 1.00 0.00 N ATOM 0 H ARG A 31 -5.241 -3.725 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.999 -4.290 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.899 -4.511 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.010 -3.385 -2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.592 -6.217 -3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.715 -5.589 -2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.423 -3.896 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.671 -5.442 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.678 -5.783 -1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.650 -4.587 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.180 -4.879 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.657 -6.160 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.184 -5.772 -1.195 1.00 0.00 H new ATOM 428 N LEU A 32 -7.212 -1.344 -4.127 1.00 0.00 N ATOM 429 CA LEU A 32 -7.705 0.002 -3.890 1.00 0.00 C ATOM 430 C LEU A 32 -8.433 0.502 -5.139 1.00 0.00 C ATOM 431 O LEU A 32 -9.605 0.871 -5.073 1.00 0.00 O ATOM 432 CB LEU A 32 -6.566 0.917 -3.435 1.00 0.00 C ATOM 433 CG LEU A 32 -6.984 2.205 -2.722 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.811 1.897 -1.472 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.767 3.076 -2.404 1.00 0.00 C ATOM 0 H LEU A 32 -6.277 -1.526 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.430 0.004 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.916 0.351 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.971 1.185 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.621 2.777 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.095 2.830 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.709 1.348 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.219 1.293 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.092 3.985 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.084 2.525 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.256 3.340 -3.330 1.00 0.00 H new ATOM 447 N ASN A 33 -7.709 0.498 -6.249 1.00 0.00 N ATOM 448 CA ASN A 33 -8.272 0.946 -7.511 1.00 0.00 C ATOM 449 C ASN A 33 -9.649 0.309 -7.706 1.00 0.00 C ATOM 450 O ASN A 33 -10.597 0.982 -8.109 1.00 0.00 O ATOM 451 CB ASN A 33 -7.387 0.529 -8.688 1.00 0.00 C ATOM 452 CG ASN A 33 -6.360 1.614 -9.013 1.00 0.00 C ATOM 453 OD1 ASN A 33 -5.810 2.267 -8.141 1.00 0.00 O ATOM 454 ND2 ASN A 33 -6.131 1.771 -10.314 1.00 0.00 N ATOM 0 H ASN A 33 -6.737 0.192 -6.300 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.344 2.033 -7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.874 -0.403 -8.450 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.007 0.336 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.461 2.471 -10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.625 1.191 -10.992 1.00 0.00 H new ATOM 461 N GLN A 34 -9.716 -0.981 -7.409 1.00 0.00 N ATOM 462 CA GLN A 34 -10.962 -1.716 -7.547 1.00 0.00 C ATOM 463 C GLN A 34 -11.991 -1.211 -6.533 1.00 0.00 C ATOM 464 O GLN A 34 -13.163 -1.041 -6.865 1.00 0.00 O ATOM 465 CB GLN A 34 -10.731 -3.220 -7.390 1.00 0.00 C ATOM 466 CG GLN A 34 -10.515 -3.886 -8.750 1.00 0.00 C ATOM 467 CD GLN A 34 -11.778 -4.619 -9.209 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.487 -5.233 -8.430 1.00 0.00 O ATOM 469 NE2 GLN A 34 -12.017 -4.519 -10.513 1.00 0.00 N ATOM 0 H GLN A 34 -8.928 -1.535 -7.074 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.354 -1.544 -8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.863 -3.394 -6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.588 -3.673 -6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.239 -3.133 -9.488 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.685 -4.589 -8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.381 -3.989 -11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.836 -4.973 -10.918 1.00 0.00 H new ATOM 478 N TYR A 35 -11.515 -0.985 -5.317 1.00 0.00 N ATOM 479 CA TYR A 35 -12.379 -0.503 -4.253 1.00 0.00 C ATOM 480 C TYR A 35 -12.936 0.883 -4.585 1.00 0.00 C ATOM 481 O TYR A 35 -14.041 1.228 -4.167 1.00 0.00 O ATOM 482 CB TYR A 35 -11.497 -0.401 -3.007 1.00 0.00 C ATOM 483 CG TYR A 35 -12.182 0.266 -1.813 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.224 -0.372 -1.170 1.00 0.00 C ATOM 485 CD2 TYR A 35 -11.759 1.505 -1.378 1.00 0.00 C ATOM 486 CE1 TYR A 35 -13.869 0.255 -0.046 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.404 2.133 -0.254 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.427 1.477 0.357 1.00 0.00 C ATOM 489 OH TYR A 35 -14.036 2.070 1.419 1.00 0.00 O ATOM 0 H TYR A 35 -10.542 -1.127 -5.045 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.226 -1.175 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.178 -1.402 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.597 0.161 -3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.555 -1.342 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -10.944 2.004 -1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.685 -0.233 0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.083 3.103 0.096 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.749 1.488 1.754 1.00 0.00 H new ATOM 499 N PHE A 36 -12.146 1.640 -5.332 1.00 0.00 N ATOM 500 CA PHE A 36 -12.547 2.980 -5.724 1.00 0.00 C ATOM 501 C PHE A 36 -13.421 2.946 -6.979 1.00 0.00 C ATOM 502 O PHE A 36 -14.210 3.860 -7.215 1.00 0.00 O ATOM 503 CB PHE A 36 -11.265 3.758 -6.031 1.00 0.00 C ATOM 504 CG PHE A 36 -10.425 4.086 -4.795 1.00 0.00 C ATOM 505 CD1 PHE A 36 -10.908 3.814 -3.553 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.196 4.650 -4.938 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.129 4.119 -2.406 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.417 4.955 -3.791 1.00 0.00 C ATOM 509 CZ PHE A 36 -8.900 4.683 -2.549 1.00 0.00 C ATOM 0 H PHE A 36 -11.230 1.351 -5.676 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.124 3.445 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.658 3.178 -6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.528 4.687 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.884 3.366 -3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.812 4.866 -5.924 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.513 3.903 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.441 5.403 -3.905 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.307 4.915 -1.676 1.00 0.00 H new ATOM 519 N GLN A 37 -13.252 1.883 -7.751 1.00 0.00 N ATOM 520 CA GLN A 37 -14.016 1.718 -8.976 1.00 0.00 C ATOM 521 C GLN A 37 -15.349 1.027 -8.680 1.00 0.00 C ATOM 522 O GLN A 37 -16.350 1.292 -9.345 1.00 0.00 O ATOM 523 CB GLN A 37 -13.215 0.939 -10.021 1.00 0.00 C ATOM 524 CG GLN A 37 -12.253 1.861 -10.773 1.00 0.00 C ATOM 525 CD GLN A 37 -12.606 1.925 -12.261 1.00 0.00 C ATOM 526 OE1 GLN A 37 -13.264 1.055 -12.807 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.135 3.002 -12.882 1.00 0.00 N ATOM 0 H GLN A 37 -12.597 1.127 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.224 2.706 -9.388 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.654 0.141 -9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.896 0.464 -10.727 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.292 2.862 -10.343 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.231 1.502 -10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.591 3.692 -12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.318 3.138 -13.876 1.00 0.00 H new ATOM 536 N LYS A 38 -15.320 0.156 -7.683 1.00 0.00 N ATOM 537 CA LYS A 38 -16.513 -0.574 -7.291 1.00 0.00 C ATOM 538 C LYS A 38 -17.446 0.359 -6.517 1.00 0.00 C ATOM 539 O LYS A 38 -18.610 0.521 -6.880 1.00 0.00 O ATOM 540 CB LYS A 38 -16.138 -1.843 -6.524 1.00 0.00 C ATOM 541 CG LYS A 38 -16.209 -3.074 -7.430 1.00 0.00 C ATOM 542 CD LYS A 38 -17.633 -3.291 -7.947 1.00 0.00 C ATOM 543 CE LYS A 38 -17.664 -3.303 -9.477 1.00 0.00 C ATOM 544 NZ LYS A 38 -19.056 -3.192 -9.968 1.00 0.00 N ATOM 0 H LYS A 38 -14.488 -0.061 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.058 -0.912 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.131 -1.743 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.811 -1.972 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.527 -2.951 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.880 -3.955 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.023 -4.234 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.284 -2.501 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.068 -2.477 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.213 -4.223 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.059 -3.202 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.614 -3.994 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.474 -2.302 -9.629 1.00 0.00 H new ATOM 558 N GLU A 39 -16.900 0.950 -5.465 1.00 0.00 N ATOM 559 CA GLU A 39 -17.669 1.864 -4.636 1.00 0.00 C ATOM 560 C GLU A 39 -17.858 3.201 -5.355 1.00 0.00 C ATOM 561 O GLU A 39 -18.711 4.000 -4.972 1.00 0.00 O ATOM 562 CB GLU A 39 -17.000 2.063 -3.274 1.00 0.00 C ATOM 563 CG GLU A 39 -17.462 1.000 -2.276 1.00 0.00 C ATOM 564 CD GLU A 39 -18.825 1.361 -1.682 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.735 1.655 -2.487 1.00 0.00 O ATOM 566 OE2 GLU A 39 -18.926 1.335 -0.436 1.00 0.00 O ATOM 0 H GLU A 39 -15.934 0.814 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.652 1.426 -4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.917 2.015 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.237 3.055 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.523 0.032 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.727 0.903 -1.477 1.00 0.00 H new ATOM 573 N LYS A 40 -17.049 3.402 -6.385 1.00 0.00 N ATOM 574 CA LYS A 40 -17.118 4.629 -7.161 1.00 0.00 C ATOM 575 C LYS A 40 -16.429 5.756 -6.388 1.00 0.00 C ATOM 576 O LYS A 40 -16.623 6.931 -6.693 1.00 0.00 O ATOM 577 CB LYS A 40 -18.566 4.941 -7.544 1.00 0.00 C ATOM 578 CG LYS A 40 -19.286 3.684 -8.037 1.00 0.00 C ATOM 579 CD LYS A 40 -19.026 3.453 -9.527 1.00 0.00 C ATOM 580 CE LYS A 40 -19.973 2.391 -10.090 1.00 0.00 C ATOM 581 NZ LYS A 40 -19.792 2.259 -11.553 1.00 0.00 N ATOM 0 H LYS A 40 -16.343 2.737 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.582 4.514 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.093 5.352 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.584 5.704 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.947 2.819 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.357 3.782 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.157 4.388 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.993 3.140 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.783 1.433 -9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.005 2.661 -9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.442 1.534 -11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.995 3.170 -12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.811 1.980 -11.758 1.00 0.00 H new ATOM 595 N ILE A 41 -15.640 5.357 -5.401 1.00 0.00 N ATOM 596 CA ILE A 41 -14.922 6.318 -4.582 1.00 0.00 C ATOM 597 C ILE A 41 -13.763 6.905 -5.390 1.00 0.00 C ATOM 598 O ILE A 41 -13.374 6.351 -6.417 1.00 0.00 O ATOM 599 CB ILE A 41 -14.489 5.679 -3.261 1.00 0.00 C ATOM 600 CG1 ILE A 41 -15.702 5.193 -2.464 1.00 0.00 C ATOM 601 CG2 ILE A 41 -13.617 6.638 -2.448 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.334 4.000 -1.580 1.00 0.00 C ATOM 0 H ILE A 41 -15.482 4.381 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.574 7.148 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.880 4.804 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.084 6.005 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.502 4.910 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.323 6.159 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.726 6.894 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.180 7.545 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.213 3.674 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -14.975 3.182 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.551 4.293 -0.881 1.00 0.00 H new ATOM 614 N GLN A 42 -13.243 8.019 -4.895 1.00 0.00 N ATOM 615 CA GLN A 42 -12.136 8.687 -5.558 1.00 0.00 C ATOM 616 C GLN A 42 -11.057 9.064 -4.541 1.00 0.00 C ATOM 617 O GLN A 42 -11.347 9.707 -3.533 1.00 0.00 O ATOM 618 CB GLN A 42 -12.620 9.919 -6.326 1.00 0.00 C ATOM 619 CG GLN A 42 -13.602 10.738 -5.486 1.00 0.00 C ATOM 620 CD GLN A 42 -15.016 10.661 -6.066 1.00 0.00 C ATOM 621 OE1 GLN A 42 -15.361 9.758 -6.809 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.811 11.657 -5.686 1.00 0.00 N ATOM 0 H GLN A 42 -13.568 8.476 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.701 7.997 -6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.767 10.539 -6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.101 9.608 -7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.605 10.369 -4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.276 11.777 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.458 12.382 -5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.774 11.696 -6.019 1.00 0.00 H new ATOM 631 N GLY A 43 -9.835 8.647 -4.839 1.00 0.00 N ATOM 632 CA GLY A 43 -8.712 8.932 -3.963 1.00 0.00 C ATOM 633 C GLY A 43 -7.418 9.087 -4.764 1.00 0.00 C ATOM 634 O GLY A 43 -7.128 8.279 -5.645 1.00 0.00 O ATOM 0 H GLY A 43 -9.598 8.114 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.907 9.845 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.600 8.128 -3.236 1.00 0.00 H new ATOM 638 N GLU A 44 -6.674 10.131 -4.430 1.00 0.00 N ATOM 639 CA GLU A 44 -5.417 10.402 -5.107 1.00 0.00 C ATOM 640 C GLU A 44 -4.269 10.450 -4.097 1.00 0.00 C ATOM 641 O GLU A 44 -4.398 11.054 -3.033 1.00 0.00 O ATOM 642 CB GLU A 44 -5.496 11.703 -5.909 1.00 0.00 C ATOM 643 CG GLU A 44 -5.781 12.895 -4.993 1.00 0.00 C ATOM 644 CD GLU A 44 -6.338 14.077 -5.789 1.00 0.00 C ATOM 645 OE1 GLU A 44 -7.274 13.837 -6.582 1.00 0.00 O ATOM 646 OE2 GLU A 44 -5.816 15.195 -5.586 1.00 0.00 O ATOM 0 H GLU A 44 -6.918 10.800 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.223 9.591 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.558 11.864 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.280 11.623 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.494 12.603 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.865 13.194 -4.484 1.00 0.00 H new ATOM 653 N TYR A 45 -3.173 9.804 -4.465 1.00 0.00 N ATOM 654 CA TYR A 45 -2.003 9.764 -3.604 1.00 0.00 C ATOM 655 C TYR A 45 -1.296 11.121 -3.576 1.00 0.00 C ATOM 656 O TYR A 45 -0.881 11.630 -4.616 1.00 0.00 O ATOM 657 CB TYR A 45 -1.062 8.725 -4.217 1.00 0.00 C ATOM 658 CG TYR A 45 -1.477 7.277 -3.952 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.638 7.008 -3.256 1.00 0.00 C ATOM 660 CD2 TYR A 45 -0.690 6.239 -4.408 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.028 5.645 -3.005 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.080 4.876 -4.158 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.230 4.646 -3.469 1.00 0.00 C ATOM 664 OH TYR A 45 -2.599 3.358 -3.233 1.00 0.00 O ATOM 0 H TYR A 45 -3.070 9.304 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.288 9.517 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.011 8.886 -5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.058 8.882 -3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.254 7.820 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.219 6.449 -4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.934 5.421 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.473 4.055 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.175 3.044 -3.961 1.00 0.00 H new ATOM 674 N LYS A 46 -1.182 11.669 -2.375 1.00 0.00 N ATOM 675 CA LYS A 46 -0.533 12.957 -2.199 1.00 0.00 C ATOM 676 C LYS A 46 0.971 12.744 -2.014 1.00 0.00 C ATOM 677 O LYS A 46 1.413 12.297 -0.957 1.00 0.00 O ATOM 678 CB LYS A 46 -1.189 13.735 -1.056 1.00 0.00 C ATOM 679 CG LYS A 46 -0.679 15.177 -1.011 1.00 0.00 C ATOM 680 CD LYS A 46 -1.553 16.095 -1.868 1.00 0.00 C ATOM 681 CE LYS A 46 -2.541 16.878 -1.001 1.00 0.00 C ATOM 682 NZ LYS A 46 -3.929 16.449 -1.282 1.00 0.00 N ATOM 0 H LYS A 46 -1.528 11.245 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.661 13.573 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.272 13.732 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.979 13.241 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.673 15.532 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.351 15.214 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.922 16.789 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.099 15.502 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.312 16.722 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.438 17.946 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.587 16.990 -0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.149 16.620 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.028 15.435 -1.074 1.00 0.00 H new ATOM 696 N TYR A 47 1.716 13.075 -3.058 1.00 0.00 N ATOM 697 CA TYR A 47 3.161 12.926 -3.024 1.00 0.00 C ATOM 698 C TYR A 47 3.831 14.197 -2.500 1.00 0.00 C ATOM 699 O TYR A 47 3.711 15.261 -3.105 1.00 0.00 O ATOM 700 CB TYR A 47 3.595 12.695 -4.473 1.00 0.00 C ATOM 701 CG TYR A 47 3.014 11.428 -5.103 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.590 10.201 -4.841 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.914 11.511 -5.933 1.00 0.00 C ATOM 704 CE1 TYR A 47 3.043 9.008 -5.434 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.368 10.318 -6.526 1.00 0.00 C ATOM 706 CZ TYR A 47 1.959 9.125 -6.247 1.00 0.00 C ATOM 707 OH TYR A 47 1.442 7.998 -6.807 1.00 0.00 O ATOM 0 H TYR A 47 1.346 13.446 -3.933 1.00 0.00 H new ATOM 0 HA TYR A 47 3.447 12.105 -2.366 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.297 13.556 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.683 12.641 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.450 10.136 -4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.463 12.471 -6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.484 8.042 -5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.508 10.369 -7.178 1.00 0.00 H new ATOM 0 HH TYR A 47 0.670 8.233 -7.363 1.00 0.00 H new ATOM 717 N THR A 48 4.521 14.044 -1.379 1.00 0.00 N ATOM 718 CA THR A 48 5.211 15.167 -0.766 1.00 0.00 C ATOM 719 C THR A 48 6.725 15.005 -0.910 1.00 0.00 C ATOM 720 O THR A 48 7.320 14.122 -0.295 1.00 0.00 O ATOM 721 CB THR A 48 4.746 15.270 0.688 1.00 0.00 C ATOM 722 OG1 THR A 48 3.428 15.801 0.595 1.00 0.00 O ATOM 723 CG2 THR A 48 5.520 16.328 1.476 1.00 0.00 C ATOM 0 H THR A 48 4.617 13.160 -0.879 1.00 0.00 H new ATOM 0 HA THR A 48 4.967 16.103 -1.268 1.00 0.00 H new ATOM 0 HB THR A 48 4.858 14.301 1.174 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.050 15.899 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.151 16.360 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.580 16.075 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.381 17.303 1.009 1.00 0.00 H new ATOM 731 N GLN A 49 7.306 15.873 -1.726 1.00 0.00 N ATOM 732 CA GLN A 49 8.739 15.838 -1.959 1.00 0.00 C ATOM 733 C GLN A 49 9.489 16.375 -0.737 1.00 0.00 C ATOM 734 O GLN A 49 9.157 17.440 -0.220 1.00 0.00 O ATOM 735 CB GLN A 49 9.110 16.624 -3.218 1.00 0.00 C ATOM 736 CG GLN A 49 10.599 16.479 -3.537 1.00 0.00 C ATOM 737 CD GLN A 49 11.254 17.848 -3.731 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.642 18.798 -4.190 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.530 17.895 -3.357 1.00 0.00 N ATOM 0 H GLN A 49 6.809 16.605 -2.234 1.00 0.00 H new ATOM 0 HA GLN A 49 9.036 14.801 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.518 16.268 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.865 17.677 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.097 15.945 -2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.725 15.881 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.982 17.062 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.056 18.764 -3.447 1.00 0.00 H new ATOM 748 N VAL A 50 10.485 15.612 -0.312 1.00 0.00 N ATOM 749 CA VAL A 50 11.284 15.998 0.839 1.00 0.00 C ATOM 750 C VAL A 50 12.766 15.802 0.514 1.00 0.00 C ATOM 751 O VAL A 50 13.108 15.231 -0.521 1.00 0.00 O ATOM 752 CB VAL A 50 10.834 15.215 2.074 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.444 15.662 2.531 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.866 13.708 1.810 1.00 0.00 C ATOM 0 H VAL A 50 10.757 14.729 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 50 11.138 17.053 1.069 1.00 0.00 H new ATOM 0 HB VAL A 50 11.536 15.429 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.149 15.090 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.466 16.723 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.725 15.492 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.542 13.175 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.198 13.469 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.881 13.405 1.555 1.00 0.00 H new ATOM 764 N GLY A 51 13.606 16.287 1.417 1.00 0.00 N ATOM 765 CA GLY A 51 15.044 16.172 1.239 1.00 0.00 C ATOM 766 C GLY A 51 15.526 17.056 0.087 1.00 0.00 C ATOM 767 O GLY A 51 14.721 17.694 -0.590 1.00 0.00 O ATOM 0 H GLY A 51 13.319 16.760 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.552 16.459 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.308 15.133 1.040 1.00 0.00 H new ATOM 771 N PRO A 52 16.872 17.066 -0.105 1.00 0.00 N ATOM 772 CA PRO A 52 17.471 17.861 -1.164 1.00 0.00 C ATOM 773 C PRO A 52 17.245 17.212 -2.531 1.00 0.00 C ATOM 774 O PRO A 52 16.975 16.015 -2.618 1.00 0.00 O ATOM 775 CB PRO A 52 18.941 17.967 -0.792 1.00 0.00 C ATOM 776 CG PRO A 52 19.201 16.847 0.202 1.00 0.00 C ATOM 777 CD PRO A 52 17.856 16.323 0.676 1.00 0.00 C ATOM 0 HA PRO A 52 17.024 18.851 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.575 17.863 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.163 18.939 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.779 16.049 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.787 17.213 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.767 15.250 0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.721 16.489 1.745 1.00 0.00 H new ATOM 785 N ASP A 53 17.365 18.031 -3.566 1.00 0.00 N ATOM 786 CA ASP A 53 17.178 17.552 -4.925 1.00 0.00 C ATOM 787 C ASP A 53 18.117 16.372 -5.179 1.00 0.00 C ATOM 788 O ASP A 53 17.671 15.291 -5.563 1.00 0.00 O ATOM 789 CB ASP A 53 17.505 18.645 -5.944 1.00 0.00 C ATOM 790 CG ASP A 53 17.420 18.210 -7.409 1.00 0.00 C ATOM 791 OD1 ASP A 53 18.110 17.225 -7.749 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.667 18.873 -8.154 1.00 0.00 O ATOM 0 H ASP A 53 17.589 19.023 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 53 16.135 17.255 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.823 19.481 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.512 19.014 -5.748 1.00 0.00 H new ATOM 797 N HIS A 54 19.399 16.618 -4.955 1.00 0.00 N ATOM 798 CA HIS A 54 20.405 15.588 -5.155 1.00 0.00 C ATOM 799 C HIS A 54 19.890 14.255 -4.608 1.00 0.00 C ATOM 800 O HIS A 54 20.118 13.205 -5.207 1.00 0.00 O ATOM 801 CB HIS A 54 21.741 16.006 -4.537 1.00 0.00 C ATOM 802 CG HIS A 54 21.921 15.562 -3.105 1.00 0.00 C ATOM 803 ND1 HIS A 54 21.805 16.428 -2.031 1.00 0.00 N ATOM 804 CD2 HIS A 54 22.208 14.336 -2.581 1.00 0.00 C ATOM 805 CE1 HIS A 54 22.016 15.743 -0.917 1.00 0.00 C ATOM 806 NE2 HIS A 54 22.267 14.447 -1.260 1.00 0.00 N ATOM 0 H HIS A 54 19.765 17.515 -4.637 1.00 0.00 H new ATOM 0 HA HIS A 54 20.590 15.457 -6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.552 15.596 -5.139 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.827 17.092 -4.584 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.361 13.428 -3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 54 21.993 16.141 0.087 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.467 13.688 -0.608 1.00 0.00 H new ATOM 814 N ASN A 55 19.206 14.340 -3.477 1.00 0.00 N ATOM 815 CA ASN A 55 18.658 13.154 -2.843 1.00 0.00 C ATOM 816 C ASN A 55 17.318 13.502 -2.190 1.00 0.00 C ATOM 817 O ASN A 55 17.270 13.844 -1.009 1.00 0.00 O ATOM 818 CB ASN A 55 19.593 12.630 -1.752 1.00 0.00 C ATOM 819 CG ASN A 55 19.238 11.192 -1.369 1.00 0.00 C ATOM 820 OD1 ASN A 55 19.817 10.232 -1.851 1.00 0.00 O ATOM 821 ND2 ASN A 55 18.256 11.096 -0.477 1.00 0.00 N ATOM 0 H ASN A 55 19.019 15.213 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 55 18.534 12.389 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.625 12.673 -2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.527 13.271 -0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 55 17.946 10.179 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 55 17.813 11.940 -0.113 1.00 0.00 H new ATOM 828 N ARG A 56 16.265 13.404 -2.987 1.00 0.00 N ATOM 829 CA ARG A 56 14.929 13.705 -2.501 1.00 0.00 C ATOM 830 C ARG A 56 14.046 12.457 -2.567 1.00 0.00 C ATOM 831 O ARG A 56 14.438 11.445 -3.146 1.00 0.00 O ATOM 832 CB ARG A 56 14.282 14.822 -3.324 1.00 0.00 C ATOM 833 CG ARG A 56 13.917 14.329 -4.725 1.00 0.00 C ATOM 834 CD ARG A 56 13.106 15.383 -5.483 1.00 0.00 C ATOM 835 NE ARG A 56 13.973 16.089 -6.452 1.00 0.00 N ATOM 836 CZ ARG A 56 13.516 16.879 -7.432 1.00 0.00 C ATOM 837 NH1 ARG A 56 12.198 17.070 -7.580 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.377 17.480 -8.265 1.00 0.00 N ATOM 0 H ARG A 56 16.309 13.121 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 56 15.020 14.036 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.387 15.181 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.967 15.667 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.825 14.095 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.342 13.406 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.275 14.908 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.675 16.097 -4.781 1.00 0.00 H new ATOM 0 HE ARG A 56 14.982 15.966 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.542 16.614 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.851 17.672 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.380 17.336 -8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.029 18.082 -9.011 1.00 0.00 H new ATOM 852 N SER A 57 12.872 12.569 -1.965 1.00 0.00 N ATOM 853 CA SER A 57 11.931 11.462 -1.947 1.00 0.00 C ATOM 854 C SER A 57 10.499 11.993 -1.847 1.00 0.00 C ATOM 855 O SER A 57 10.233 12.933 -1.099 1.00 0.00 O ATOM 856 CB SER A 57 12.225 10.507 -0.789 1.00 0.00 C ATOM 857 OG SER A 57 12.541 11.206 0.412 1.00 0.00 O ATOM 0 H SER A 57 12.550 13.410 -1.486 1.00 0.00 H new ATOM 0 HA SER A 57 12.041 10.905 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.360 9.866 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.056 9.855 -1.059 1.00 0.00 H new ATOM 0 HG SER A 57 12.721 10.561 1.128 1.00 0.00 H new ATOM 863 N PHE A 58 9.615 11.369 -2.611 1.00 0.00 N ATOM 864 CA PHE A 58 8.218 11.767 -2.617 1.00 0.00 C ATOM 865 C PHE A 58 7.410 10.949 -1.608 1.00 0.00 C ATOM 866 O PHE A 58 7.418 9.719 -1.651 1.00 0.00 O ATOM 867 CB PHE A 58 7.681 11.493 -4.024 1.00 0.00 C ATOM 868 CG PHE A 58 8.147 12.502 -5.075 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.597 13.745 -5.115 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.111 12.157 -5.969 1.00 0.00 C ATOM 871 CE1 PHE A 58 8.029 14.682 -6.090 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.544 13.093 -6.945 1.00 0.00 C ATOM 873 CZ PHE A 58 8.993 14.337 -6.985 1.00 0.00 C ATOM 0 H PHE A 58 9.839 10.590 -3.230 1.00 0.00 H new ATOM 0 HA PHE A 58 8.130 12.819 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.990 10.494 -4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.591 11.494 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.831 14.019 -4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.548 11.170 -5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.592 15.669 -6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.310 12.818 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.321 15.050 -7.727 1.00 0.00 H new ATOM 883 N ILE A 59 6.731 11.664 -0.723 1.00 0.00 N ATOM 884 CA ILE A 59 5.920 11.020 0.296 1.00 0.00 C ATOM 885 C ILE A 59 4.471 10.938 -0.188 1.00 0.00 C ATOM 886 O ILE A 59 3.754 11.938 -0.183 1.00 0.00 O ATOM 887 CB ILE A 59 6.080 11.734 1.639 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.384 11.323 2.327 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.862 11.498 2.534 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.641 12.176 3.570 1.00 0.00 C ATOM 0 H ILE A 59 6.726 12.683 -0.691 1.00 0.00 H new ATOM 0 HA ILE A 59 6.259 9.998 0.463 1.00 0.00 H new ATOM 0 HB ILE A 59 6.139 12.806 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.335 10.271 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.216 11.429 1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.002 12.017 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.968 11.879 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.747 10.430 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.574 11.863 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.713 13.225 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.819 12.049 4.275 1.00 0.00 H new ATOM 902 N ALA A 60 4.083 9.739 -0.596 1.00 0.00 N ATOM 903 CA ALA A 60 2.732 9.514 -1.082 1.00 0.00 C ATOM 904 C ALA A 60 1.813 9.207 0.102 1.00 0.00 C ATOM 905 O ALA A 60 1.924 8.150 0.720 1.00 0.00 O ATOM 906 CB ALA A 60 2.743 8.389 -2.119 1.00 0.00 C ATOM 0 H ALA A 60 4.681 8.912 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 60 2.348 10.407 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.730 8.220 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.387 8.669 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.121 7.475 -1.660 1.00 0.00 H new ATOM 912 N GLU A 61 0.925 10.150 0.381 1.00 0.00 N ATOM 913 CA GLU A 61 -0.013 9.993 1.480 1.00 0.00 C ATOM 914 C GLU A 61 -1.448 10.175 0.982 1.00 0.00 C ATOM 915 O GLU A 61 -1.730 11.092 0.212 1.00 0.00 O ATOM 916 CB GLU A 61 0.303 10.971 2.614 1.00 0.00 C ATOM 917 CG GLU A 61 0.197 12.420 2.134 1.00 0.00 C ATOM 918 CD GLU A 61 1.089 13.340 2.969 1.00 0.00 C ATOM 919 OE1 GLU A 61 2.323 13.164 2.884 1.00 0.00 O ATOM 920 OE2 GLU A 61 0.516 14.199 3.674 1.00 0.00 O ATOM 0 H GLU A 61 0.835 11.025 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 61 0.087 8.983 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.386 10.807 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.308 10.782 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.486 12.481 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.839 12.754 2.200 1.00 0.00 H new ATOM 927 N MET A 62 -2.317 9.287 1.442 1.00 0.00 N ATOM 928 CA MET A 62 -3.716 9.338 1.053 1.00 0.00 C ATOM 929 C MET A 62 -4.627 9.018 2.240 1.00 0.00 C ATOM 930 O MET A 62 -4.315 8.145 3.049 1.00 0.00 O ATOM 931 CB MET A 62 -3.970 8.332 -0.071 1.00 0.00 C ATOM 932 CG MET A 62 -5.460 8.254 -0.410 1.00 0.00 C ATOM 933 SD MET A 62 -5.744 8.870 -2.061 1.00 0.00 S ATOM 934 CE MET A 62 -5.756 7.333 -2.968 1.00 0.00 C ATOM 0 H MET A 62 -2.079 8.528 2.081 1.00 0.00 H new ATOM 0 HA MET A 62 -3.941 10.347 0.708 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.406 8.622 -0.958 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.609 7.348 0.228 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.805 7.223 -0.333 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.036 8.837 0.309 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.187 7.450 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.304 6.549 -2.361 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.784 7.060 -3.208 1.00 0.00 H new ATOM 944 N THR A 63 -5.734 9.743 2.308 1.00 0.00 N ATOM 945 CA THR A 63 -6.692 9.547 3.382 1.00 0.00 C ATOM 946 C THR A 63 -8.071 9.211 2.812 1.00 0.00 C ATOM 947 O THR A 63 -8.627 9.979 2.029 1.00 0.00 O ATOM 948 CB THR A 63 -6.685 10.803 4.256 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.333 11.249 4.212 1.00 0.00 O ATOM 950 CG2 THR A 63 -6.927 10.489 5.734 1.00 0.00 C ATOM 0 H THR A 63 -5.989 10.467 1.636 1.00 0.00 H new ATOM 0 HA THR A 63 -6.418 8.697 4.007 1.00 0.00 H new ATOM 0 HB THR A 63 -7.449 11.495 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.790 10.710 4.824 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.912 11.414 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.897 10.006 5.849 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.144 9.823 6.097 1.00 0.00 H new ATOM 958 N ILE A 64 -8.584 8.062 3.228 1.00 0.00 N ATOM 959 CA ILE A 64 -9.888 7.615 2.768 1.00 0.00 C ATOM 960 C ILE A 64 -10.792 7.366 3.977 1.00 0.00 C ATOM 961 O ILE A 64 -10.337 6.863 5.003 1.00 0.00 O ATOM 962 CB ILE A 64 -9.744 6.401 1.847 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.625 5.477 2.329 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.542 6.836 0.394 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.805 4.062 1.774 1.00 0.00 C ATOM 0 H ILE A 64 -8.120 7.428 3.878 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.366 8.388 2.166 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.672 5.831 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.660 5.875 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.618 5.446 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.442 5.954 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.401 7.423 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.639 7.441 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.996 3.425 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.760 3.658 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.787 4.093 0.685 1.00 0.00 H new ATOM 977 N TYR A 65 -12.056 7.729 3.815 1.00 0.00 N ATOM 978 CA TYR A 65 -13.028 7.551 4.881 1.00 0.00 C ATOM 979 C TYR A 65 -13.964 6.379 4.579 1.00 0.00 C ATOM 980 O TYR A 65 -14.411 6.213 3.445 1.00 0.00 O ATOM 981 CB TYR A 65 -13.846 8.843 4.925 1.00 0.00 C ATOM 982 CG TYR A 65 -15.081 8.767 5.824 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.211 8.104 5.390 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.066 9.361 7.070 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.374 8.032 6.236 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.229 9.289 7.916 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.326 8.628 7.457 1.00 0.00 C ATOM 988 OH TYR A 65 -18.424 8.560 8.257 1.00 0.00 O ATOM 0 H TYR A 65 -12.430 8.145 2.962 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.527 7.340 5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.206 9.654 5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.161 9.096 3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.223 7.639 4.415 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.182 9.880 7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.264 7.516 5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.230 9.749 8.893 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.245 9.029 9.099 1.00 0.00 H new ATOM 998 N ILE A 66 -14.232 5.596 5.614 1.00 0.00 N ATOM 999 CA ILE A 66 -15.107 4.444 5.474 1.00 0.00 C ATOM 1000 C ILE A 66 -16.407 4.701 6.237 1.00 0.00 C ATOM 1001 O ILE A 66 -16.389 4.903 7.450 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.383 3.166 5.903 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -12.973 3.109 5.311 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.205 1.925 5.549 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.023 3.015 3.785 1.00 0.00 C ATOM 0 H ILE A 66 -13.859 5.737 6.553 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.376 4.294 4.428 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.276 3.182 6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.415 3.997 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.440 2.248 5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.668 1.031 5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.168 1.969 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.366 1.890 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.008 2.976 3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.561 2.113 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.536 3.889 3.383 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.505 4.685 5.495 1.00 0.00 N ATOM 1018 CA LYS A 67 -18.812 4.913 6.087 1.00 0.00 C ATOM 1019 C LYS A 67 -19.291 3.629 6.767 1.00 0.00 C ATOM 1020 O LYS A 67 -19.908 3.678 7.830 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.787 5.455 5.040 1.00 0.00 C ATOM 1022 CG LYS A 67 -19.832 4.546 3.811 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.435 5.312 2.547 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.420 5.039 1.409 1.00 0.00 C ATOM 1025 NZ LYS A 67 -19.998 3.852 0.632 1.00 0.00 N ATOM 0 H LYS A 67 -17.516 4.518 4.489 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.751 5.679 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.784 5.536 5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.486 6.460 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.159 3.701 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -20.836 4.138 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.406 6.381 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.430 5.020 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.419 4.879 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.478 5.908 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.677 3.681 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.054 4.019 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.966 3.021 1.257 1.00 0.00 H new ATOM 1039 N GLN A 68 -18.988 2.510 6.127 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.379 1.215 6.656 1.00 0.00 C ATOM 1041 C GLN A 68 -18.742 0.987 8.028 1.00 0.00 C ATOM 1042 O GLN A 68 -19.191 0.134 8.792 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.009 0.091 5.686 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.512 0.111 5.370 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.118 -1.090 4.508 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -16.602 -2.087 4.987 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.388 -0.941 3.215 1.00 0.00 N ATOM 0 H GLN A 68 -18.476 2.473 5.246 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.463 1.206 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.280 -0.872 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.581 0.198 4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.259 1.035 4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.940 0.100 6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.821 -0.080 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.162 -1.687 2.558 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.705 1.766 8.300 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.001 1.661 9.566 1.00 0.00 C ATOM 1058 C LEU A 69 -17.384 2.843 10.458 1.00 0.00 C ATOM 1059 O LEU A 69 -17.530 2.690 11.670 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.494 1.529 9.333 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.041 0.291 8.556 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.581 -0.046 8.864 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -15.972 -0.894 8.823 1.00 0.00 C ATOM 0 H LEU A 69 -17.336 2.473 7.664 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.299 0.754 10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.150 2.415 8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.995 1.528 10.302 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.101 0.515 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.285 -0.930 8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.946 0.794 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.470 -0.243 9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.628 -1.761 8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.967 -1.128 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.985 -0.638 8.513 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.536 3.997 9.824 1.00 0.00 N ATOM 1076 CA GLY A 70 -17.899 5.205 10.544 1.00 0.00 C ATOM 1077 C GLY A 70 -16.663 6.052 10.853 1.00 0.00 C ATOM 1078 O GLY A 70 -16.755 7.058 11.555 1.00 0.00 O ATOM 0 H GLY A 70 -17.414 4.120 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.604 5.788 9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.405 4.941 11.473 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.535 5.614 10.313 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.282 6.319 10.522 1.00 0.00 C ATOM 1084 C ARG A 71 -13.517 6.445 9.203 1.00 0.00 C ATOM 1085 O ARG A 71 -14.047 6.121 8.141 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.405 5.593 11.545 1.00 0.00 C ATOM 1087 CG ARG A 71 -12.859 4.285 10.969 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.414 4.455 10.498 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.556 3.417 11.111 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.098 3.468 12.369 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.412 4.507 13.155 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -9.325 2.481 12.842 1.00 0.00 N ATOM 0 H ARG A 71 -15.463 4.779 9.731 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.520 7.312 10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.577 6.237 11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.985 5.385 12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -12.909 3.502 11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.482 3.963 10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.366 4.383 9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.049 5.446 10.768 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.297 2.612 10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.000 5.259 12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.063 4.546 14.113 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.085 1.690 12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.977 2.521 13.800 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.283 6.915 9.314 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.440 7.087 8.143 1.00 0.00 C ATOM 1108 C ARG A 72 -9.998 6.691 8.464 1.00 0.00 C ATOM 1109 O ARG A 72 -9.540 6.864 9.593 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.467 8.537 7.654 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.273 9.512 8.817 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.043 10.394 8.594 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.321 11.774 9.049 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.214 12.590 8.472 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.922 12.169 7.415 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.401 13.827 8.953 1.00 0.00 N ATOM 0 H ARG A 72 -11.847 7.182 10.197 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.830 6.442 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.683 8.689 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.417 8.740 7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.159 10.138 8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.162 8.956 9.748 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.190 9.988 9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.775 10.398 7.538 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.800 12.127 9.852 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.781 11.227 7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.602 12.790 6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.864 14.148 9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.081 14.448 8.514 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.323 6.167 7.452 1.00 0.00 N ATOM 1131 CA ILE A 73 -7.942 5.745 7.613 1.00 0.00 C ATOM 1132 C ILE A 73 -7.034 6.658 6.786 1.00 0.00 C ATOM 1133 O ILE A 73 -7.454 7.195 5.763 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.792 4.260 7.274 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.504 3.923 5.962 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.276 3.383 8.430 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -8.246 2.470 5.556 1.00 0.00 C ATOM 0 H ILE A 73 -9.706 6.025 6.518 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.633 5.844 8.654 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.733 4.047 7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.576 4.089 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.158 4.592 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.159 2.333 8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.688 3.599 9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.327 3.591 8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.763 2.256 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.175 2.314 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.615 1.803 6.335 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.806 6.806 7.262 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.836 7.645 6.580 1.00 0.00 C ATOM 1151 C PHE A 74 -3.547 6.872 6.294 1.00 0.00 C ATOM 1152 O PHE A 74 -3.192 5.955 7.033 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.519 8.813 7.515 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.267 9.602 7.124 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.035 9.125 7.445 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.387 10.780 6.456 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -0.873 9.856 7.082 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.226 11.512 6.093 1.00 0.00 C ATOM 1159 CZ PHE A 74 -0.993 11.035 6.414 1.00 0.00 C ATOM 0 H PHE A 74 -5.461 6.359 8.112 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.243 7.985 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.372 9.491 7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.393 8.430 8.528 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.940 8.190 7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.366 11.159 6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.106 9.476 7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.322 12.448 5.562 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.110 11.592 6.139 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.882 7.269 5.219 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.640 6.625 4.827 1.00 0.00 C ATOM 1171 C ALA A 75 -0.613 7.694 4.448 1.00 0.00 C ATOM 1172 O ALA A 75 -0.975 8.757 3.944 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.912 5.646 3.683 1.00 0.00 C ATOM 0 H ALA A 75 -3.180 8.029 4.607 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.227 6.051 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.980 5.163 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.625 4.890 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.325 6.187 2.832 1.00 0.00 H new ATOM 1179 N ARG A 76 0.647 7.377 4.705 1.00 0.00 N ATOM 1180 CA ARG A 76 1.729 8.297 4.397 1.00 0.00 C ATOM 1181 C ARG A 76 3.060 7.546 4.325 1.00 0.00 C ATOM 1182 O ARG A 76 3.824 7.536 5.289 1.00 0.00 O ATOM 1183 CB ARG A 76 1.830 9.400 5.452 1.00 0.00 C ATOM 1184 CG ARG A 76 2.948 10.387 5.108 1.00 0.00 C ATOM 1185 CD ARG A 76 3.895 10.578 6.294 1.00 0.00 C ATOM 1186 NE ARG A 76 3.930 12.004 6.689 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.874 12.543 7.472 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.867 11.780 7.947 1.00 0.00 N ATOM 1189 NH2 ARG A 76 4.826 13.847 7.779 1.00 0.00 N ATOM 0 H ARG A 76 0.943 6.495 5.123 1.00 0.00 H new ATOM 0 HA ARG A 76 1.513 8.753 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.880 9.930 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.019 8.957 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.507 10.022 4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.516 11.347 4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.566 9.967 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.897 10.241 6.028 1.00 0.00 H new ATOM 0 HE ARG A 76 3.189 12.614 6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.905 10.788 7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.585 12.191 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.071 14.429 7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.545 14.257 8.375 1.00 0.00 H new ATOM 1203 N GLU A 77 3.297 6.936 3.173 1.00 0.00 N ATOM 1204 CA GLU A 77 4.522 6.184 2.962 1.00 0.00 C ATOM 1205 C GLU A 77 5.586 7.074 2.315 1.00 0.00 C ATOM 1206 O GLU A 77 5.272 7.902 1.462 1.00 0.00 O ATOM 1207 CB GLU A 77 4.262 4.936 2.116 1.00 0.00 C ATOM 1208 CG GLU A 77 3.142 4.087 2.722 1.00 0.00 C ATOM 1209 CD GLU A 77 3.709 3.028 3.669 1.00 0.00 C ATOM 1210 OE1 GLU A 77 4.741 2.428 3.298 1.00 0.00 O ATOM 1211 OE2 GLU A 77 3.097 2.841 4.743 1.00 0.00 O ATOM 0 H GLU A 77 2.661 6.947 2.376 1.00 0.00 H new ATOM 0 HA GLU A 77 4.893 5.853 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.993 5.230 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.174 4.344 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.446 4.729 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.576 3.603 1.926 1.00 0.00 H new ATOM 1218 N HIS A 78 6.823 6.871 2.745 1.00 0.00 N ATOM 1219 CA HIS A 78 7.934 7.644 2.218 1.00 0.00 C ATOM 1220 C HIS A 78 8.742 6.784 1.244 1.00 0.00 C ATOM 1221 O HIS A 78 9.959 6.664 1.378 1.00 0.00 O ATOM 1222 CB HIS A 78 8.787 8.214 3.353 1.00 0.00 C ATOM 1223 CG HIS A 78 8.077 8.270 4.685 1.00 0.00 C ATOM 1224 ND1 HIS A 78 8.621 7.749 5.847 1.00 0.00 N ATOM 1225 CD2 HIS A 78 6.864 8.790 5.027 1.00 0.00 C ATOM 1226 CE1 HIS A 78 7.765 7.952 6.837 1.00 0.00 C ATOM 1227 NE2 HIS A 78 6.676 8.597 6.327 1.00 0.00 N ATOM 0 H HIS A 78 7.080 6.182 3.452 1.00 0.00 H new ATOM 0 HA HIS A 78 7.553 8.501 1.662 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.687 7.608 3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.110 9.219 3.082 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.527 7.287 5.927 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.173 9.276 4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.904 7.659 7.867 1.00 0.00 H new ATOM 1235 N GLY A 79 8.032 6.206 0.286 1.00 0.00 N ATOM 1236 CA GLY A 79 8.667 5.361 -0.710 1.00 0.00 C ATOM 1237 C GLY A 79 9.807 6.101 -1.412 1.00 0.00 C ATOM 1238 O GLY A 79 10.037 7.282 -1.154 1.00 0.00 O ATOM 0 H GLY A 79 7.023 6.307 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.053 4.459 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.928 5.042 -1.446 1.00 0.00 H new ATOM 1242 N SER A 80 10.492 5.377 -2.286 1.00 0.00 N ATOM 1243 CA SER A 80 11.602 5.951 -3.027 1.00 0.00 C ATOM 1244 C SER A 80 11.077 6.754 -4.219 1.00 0.00 C ATOM 1245 O SER A 80 11.269 7.967 -4.288 1.00 0.00 O ATOM 1246 CB SER A 80 12.567 4.864 -3.503 1.00 0.00 C ATOM 1247 OG SER A 80 13.856 4.997 -2.910 1.00 0.00 O ATOM 0 H SER A 80 10.299 4.398 -2.497 1.00 0.00 H new ATOM 0 HA SER A 80 12.149 6.618 -2.361 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.156 3.884 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.660 4.912 -4.588 1.00 0.00 H new ATOM 0 HG SER A 80 14.442 4.283 -3.238 1.00 0.00 H new ATOM 1253 N ASN A 81 10.423 6.044 -5.127 1.00 0.00 N ATOM 1254 CA ASN A 81 9.869 6.675 -6.313 1.00 0.00 C ATOM 1255 C ASN A 81 8.344 6.716 -6.197 1.00 0.00 C ATOM 1256 O ASN A 81 7.757 5.977 -5.409 1.00 0.00 O ATOM 1257 CB ASN A 81 10.227 5.887 -7.574 1.00 0.00 C ATOM 1258 CG ASN A 81 9.599 4.492 -7.546 1.00 0.00 C ATOM 1259 OD1 ASN A 81 8.391 4.326 -7.549 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.486 3.501 -7.518 1.00 0.00 N ATOM 0 H ASN A 81 10.264 5.038 -5.065 1.00 0.00 H new ATOM 0 HA ASN A 81 10.285 7.680 -6.387 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.881 6.428 -8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.310 5.800 -7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.168 2.532 -7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.484 3.710 -7.517 1.00 0.00 H new ATOM 1267 N LYS A 82 7.745 7.588 -6.995 1.00 0.00 N ATOM 1268 CA LYS A 82 6.300 7.735 -6.993 1.00 0.00 C ATOM 1269 C LYS A 82 5.650 6.351 -6.937 1.00 0.00 C ATOM 1270 O LYS A 82 4.895 6.052 -6.014 1.00 0.00 O ATOM 1271 CB LYS A 82 5.845 8.581 -8.184 1.00 0.00 C ATOM 1272 CG LYS A 82 5.956 10.074 -7.871 1.00 0.00 C ATOM 1273 CD LYS A 82 5.236 10.911 -8.931 1.00 0.00 C ATOM 1274 CE LYS A 82 4.952 12.323 -8.414 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.789 13.314 -9.125 1.00 0.00 N ATOM 0 H LYS A 82 8.235 8.200 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 82 5.974 8.276 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.453 8.343 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.814 8.335 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.527 10.276 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.006 10.363 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.846 10.966 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.300 10.426 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.898 12.562 -8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.151 12.371 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.583 14.267 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.794 13.094 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.579 13.279 -10.143 1.00 0.00 H new ATOM 1289 N LYS A 83 5.969 5.543 -7.938 1.00 0.00 N ATOM 1290 CA LYS A 83 5.426 4.197 -8.015 1.00 0.00 C ATOM 1291 C LYS A 83 5.439 3.566 -6.621 1.00 0.00 C ATOM 1292 O LYS A 83 4.391 3.414 -5.995 1.00 0.00 O ATOM 1293 CB LYS A 83 6.175 3.377 -9.068 1.00 0.00 C ATOM 1294 CG LYS A 83 5.339 3.224 -10.340 1.00 0.00 C ATOM 1295 CD LYS A 83 5.714 4.288 -11.374 1.00 0.00 C ATOM 1296 CE LYS A 83 6.169 3.642 -12.684 1.00 0.00 C ATOM 1297 NZ LYS A 83 6.534 4.680 -13.674 1.00 0.00 N ATOM 0 H LYS A 83 6.596 5.794 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 83 4.387 4.223 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.121 3.862 -9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.414 2.393 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.492 2.231 -10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.280 3.307 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.858 4.936 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.510 4.919 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.024 2.992 -12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.372 3.015 -13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.841 4.225 -14.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.709 5.284 -13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.309 5.262 -13.297 1.00 0.00 H new ATOM 1311 N LEU A 84 6.636 3.217 -6.175 1.00 0.00 N ATOM 1312 CA LEU A 84 6.799 2.606 -4.867 1.00 0.00 C ATOM 1313 C LEU A 84 5.870 3.297 -3.867 1.00 0.00 C ATOM 1314 O LEU A 84 4.936 2.682 -3.354 1.00 0.00 O ATOM 1315 CB LEU A 84 8.270 2.618 -4.449 1.00 0.00 C ATOM 1316 CG LEU A 84 9.145 1.512 -5.041 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.605 1.680 -4.615 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.599 0.129 -4.681 1.00 0.00 C ATOM 0 H LEU A 84 7.503 3.346 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 84 6.510 1.556 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.698 3.581 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.319 2.550 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 84 9.115 1.598 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.205 0.881 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.977 2.644 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.674 1.636 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.240 -0.639 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.580 0.016 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.588 0.023 -5.075 1.00 0.00 H new ATOM 1330 N ALA A 85 6.158 4.567 -3.620 1.00 0.00 N ATOM 1331 CA ALA A 85 5.360 5.348 -2.691 1.00 0.00 C ATOM 1332 C ALA A 85 3.890 4.946 -2.825 1.00 0.00 C ATOM 1333 O ALA A 85 3.242 4.610 -1.835 1.00 0.00 O ATOM 1334 CB ALA A 85 5.583 6.839 -2.954 1.00 0.00 C ATOM 0 H ALA A 85 6.933 5.074 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 85 5.664 5.149 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.984 7.425 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.637 7.079 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.286 7.077 -3.976 1.00 0.00 H new ATOM 1340 N ALA A 86 3.406 4.995 -4.058 1.00 0.00 N ATOM 1341 CA ALA A 86 2.025 4.640 -4.334 1.00 0.00 C ATOM 1342 C ALA A 86 1.759 3.217 -3.839 1.00 0.00 C ATOM 1343 O ALA A 86 1.024 3.019 -2.872 1.00 0.00 O ATOM 1344 CB ALA A 86 1.746 4.798 -5.830 1.00 0.00 C ATOM 0 H ALA A 86 3.946 5.275 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 86 1.345 5.306 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.710 4.532 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.921 5.833 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.409 4.143 -6.395 1.00 0.00 H new ATOM 1350 N GLN A 87 2.371 2.262 -4.524 1.00 0.00 N ATOM 1351 CA GLN A 87 2.210 0.863 -4.166 1.00 0.00 C ATOM 1352 C GLN A 87 2.159 0.707 -2.644 1.00 0.00 C ATOM 1353 O GLN A 87 1.401 -0.110 -2.125 1.00 0.00 O ATOM 1354 CB GLN A 87 3.329 0.011 -4.767 1.00 0.00 C ATOM 1355 CG GLN A 87 2.787 -0.916 -5.856 1.00 0.00 C ATOM 1356 CD GLN A 87 3.518 -2.260 -5.847 1.00 0.00 C ATOM 1357 OE1 GLN A 87 2.950 -3.303 -5.568 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.807 -2.177 -6.165 1.00 0.00 N ATOM 0 H GLN A 87 2.979 2.430 -5.325 1.00 0.00 H new ATOM 0 HA GLN A 87 1.266 0.509 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.099 0.659 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.802 -0.581 -3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.720 -1.078 -5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.901 -0.443 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.220 -1.271 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.382 -3.019 -6.186 1.00 0.00 H new ATOM 1367 N SER A 88 2.977 1.505 -1.972 1.00 0.00 N ATOM 1368 CA SER A 88 3.034 1.466 -0.521 1.00 0.00 C ATOM 1369 C SER A 88 1.761 2.073 0.070 1.00 0.00 C ATOM 1370 O SER A 88 1.101 1.453 0.903 1.00 0.00 O ATOM 1371 CB SER A 88 4.267 2.206 0.002 1.00 0.00 C ATOM 1372 OG SER A 88 5.404 1.351 0.093 1.00 0.00 O ATOM 0 H SER A 88 3.605 2.182 -2.406 1.00 0.00 H new ATOM 0 HA SER A 88 3.110 0.424 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.495 3.043 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.049 2.625 0.984 1.00 0.00 H new ATOM 0 HG SER A 88 6.171 1.861 0.429 1.00 0.00 H new ATOM 1378 N CYS A 89 1.453 3.280 -0.383 1.00 0.00 N ATOM 1379 CA CYS A 89 0.270 3.978 0.090 1.00 0.00 C ATOM 1380 C CYS A 89 -0.901 2.993 0.091 1.00 0.00 C ATOM 1381 O CYS A 89 -1.510 2.748 1.132 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.029 5.219 -0.752 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.869 6.483 0.271 1.00 0.00 S ATOM 0 H CYS A 89 2.003 3.792 -1.073 1.00 0.00 H new ATOM 0 HA CYS A 89 0.440 4.340 1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.898 5.625 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.658 4.950 -1.601 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.018 7.407 0.605 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.181 2.455 -1.087 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.269 1.502 -1.235 1.00 0.00 C ATOM 1391 C ALA A 90 -2.188 0.465 -0.113 1.00 0.00 C ATOM 1392 O ALA A 90 -3.019 0.462 0.795 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.203 0.865 -2.624 1.00 0.00 C ATOM 0 H ALA A 90 -0.674 2.661 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.233 2.003 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.018 0.150 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.293 1.641 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.250 0.350 -2.743 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.181 -0.390 -0.212 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.982 -1.430 0.783 1.00 0.00 C ATOM 1401 C LEU A 91 -1.265 -0.859 2.175 1.00 0.00 C ATOM 1402 O LEU A 91 -1.772 -1.564 3.047 1.00 0.00 O ATOM 1403 CB LEU A 91 0.412 -2.045 0.643 1.00 0.00 C ATOM 1404 CG LEU A 91 0.743 -3.184 1.611 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.062 -4.440 1.274 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.248 -3.458 1.641 1.00 0.00 C ATOM 0 H LEU A 91 -0.494 -0.384 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.684 -2.248 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.523 -2.417 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.151 -1.255 0.776 1.00 0.00 H new ATOM 0 HG LEU A 91 0.452 -2.875 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.192 -5.234 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.127 -4.219 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.175 -4.763 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.456 -4.271 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.587 -3.738 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.775 -2.560 1.965 1.00 0.00 H new ATOM 1418 N SER A 92 -0.926 0.411 2.339 1.00 0.00 N ATOM 1419 CA SER A 92 -1.138 1.084 3.609 1.00 0.00 C ATOM 1420 C SER A 92 -2.627 1.081 3.961 1.00 0.00 C ATOM 1421 O SER A 92 -3.015 0.612 5.030 1.00 0.00 O ATOM 1422 CB SER A 92 -0.605 2.518 3.568 1.00 0.00 C ATOM 1423 OG SER A 92 -0.079 2.927 4.828 1.00 0.00 O ATOM 0 H SER A 92 -0.506 0.992 1.613 1.00 0.00 H new ATOM 0 HA SER A 92 -0.588 0.543 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.173 2.594 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.407 3.195 3.273 1.00 0.00 H new ATOM 0 HG SER A 92 0.900 2.913 4.794 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.421 1.609 3.041 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.859 1.673 3.241 1.00 0.00 C ATOM 1431 C LEU A 93 -5.436 0.256 3.222 1.00 0.00 C ATOM 1432 O LEU A 93 -6.221 -0.110 4.095 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.501 2.612 2.217 1.00 0.00 C ATOM 1434 CG LEU A 93 -5.071 4.079 2.291 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.959 4.545 3.744 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.775 4.310 1.512 1.00 0.00 C ATOM 0 H LEU A 93 -3.096 1.996 2.155 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.089 2.098 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.275 2.238 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.583 2.564 2.338 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.843 4.686 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.652 5.591 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.926 4.439 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.219 3.937 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.492 5.360 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.982 3.692 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.927 4.043 0.466 1.00 0.00 H new ATOM 1448 N VAL A 94 -5.023 -0.503 2.218 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.489 -1.872 2.074 1.00 0.00 C ATOM 1450 C VAL A 94 -5.326 -2.604 3.407 1.00 0.00 C ATOM 1451 O VAL A 94 -6.313 -2.994 4.030 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.752 -2.557 0.921 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.295 -3.968 0.685 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.831 -1.718 -0.356 1.00 0.00 C ATOM 0 H VAL A 94 -4.371 -0.196 1.496 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.549 -1.890 1.821 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.702 -2.644 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.754 -4.433 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.163 -4.564 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.355 -3.913 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.299 -2.228 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.875 -1.584 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.375 -0.744 -0.180 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.073 -2.769 3.806 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.768 -3.447 5.054 1.00 0.00 C ATOM 1466 C ARG A 95 -4.743 -3.008 6.149 1.00 0.00 C ATOM 1467 O ARG A 95 -5.414 -3.840 6.758 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.337 -3.151 5.507 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.320 -3.833 4.589 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.881 -5.181 5.164 1.00 0.00 C ATOM 1471 NE ARG A 95 0.348 -5.011 5.971 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.103 -6.026 6.414 1.00 0.00 C ATOM 1473 NH1 ARG A 95 0.759 -7.289 6.131 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.201 -5.777 7.141 1.00 0.00 N ATOM 0 H ARG A 95 -3.257 -2.445 3.287 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.868 -4.519 4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.167 -2.074 5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.197 -3.496 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.757 -3.980 3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.451 -3.188 4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.676 -5.599 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.700 -5.889 4.355 1.00 0.00 H new ATOM 0 HE ARG A 95 0.639 -4.062 6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.077 -7.478 5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.333 -8.062 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.462 -4.815 7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.775 -6.549 7.478 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.791 -1.702 6.366 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.672 -1.143 7.376 1.00 0.00 C ATOM 1490 C GLN A 96 -7.111 -1.608 7.142 1.00 0.00 C ATOM 1491 O GLN A 96 -7.794 -2.020 8.078 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.586 0.385 7.394 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.592 0.865 8.454 1.00 0.00 C ATOM 1494 CD GLN A 96 -3.224 1.152 7.832 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -2.238 0.486 8.104 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -3.219 2.178 6.986 1.00 0.00 N ATOM 0 H GLN A 96 -4.233 -1.015 5.859 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.348 -1.504 8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.280 0.747 6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.571 0.806 7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.974 1.766 8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.490 0.108 9.232 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.080 2.693 6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.354 2.450 6.520 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.529 -1.525 5.887 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.874 -1.933 5.518 1.00 0.00 C ATOM 1507 C LEU A 97 -9.109 -3.373 5.976 1.00 0.00 C ATOM 1508 O LEU A 97 -10.064 -3.650 6.701 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.107 -1.717 4.022 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.259 -0.263 3.569 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.992 -0.125 2.069 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.629 0.293 3.961 1.00 0.00 C ATOM 0 H LEU A 97 -6.960 -1.181 5.113 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.613 -1.313 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.274 -2.161 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.005 -2.263 3.732 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.509 0.336 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.107 0.918 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.977 -0.455 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.702 -0.739 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.711 1.327 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.411 -0.303 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.742 0.251 5.044 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.223 -4.254 5.534 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.323 -5.659 5.889 1.00 0.00 C ATOM 1526 C TYR A 98 -8.383 -5.838 7.407 1.00 0.00 C ATOM 1527 O TYR A 98 -9.270 -6.518 7.921 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.048 -6.319 5.360 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.861 -7.767 5.817 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -6.456 -8.035 7.109 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -7.096 -8.804 4.939 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -6.280 -9.398 7.540 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -6.920 -10.167 5.369 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.521 -10.397 6.649 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.354 -11.684 7.056 1.00 0.00 O ATOM 0 H TYR A 98 -7.432 -4.021 4.933 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.227 -6.098 5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.062 -6.292 4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.187 -5.733 5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -6.271 -7.223 7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -7.412 -8.594 3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -5.964 -9.622 8.548 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.101 -10.988 4.691 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.563 -12.291 6.315 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.428 -5.215 8.082 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.361 -5.297 9.532 1.00 0.00 C ATOM 1547 C HIS A 99 -8.710 -4.892 10.131 1.00 0.00 C ATOM 1548 O HIS A 99 -9.345 -5.682 10.828 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.198 -4.462 10.070 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.619 -3.359 11.012 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.428 -3.580 12.112 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.333 -2.025 11.007 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -7.616 -2.425 12.733 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -6.937 -1.462 12.046 1.00 0.00 N ATOM 0 H HIS A 99 -6.694 -4.651 7.652 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.163 -6.326 9.834 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.500 -5.120 10.587 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.660 -4.023 9.230 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.719 -1.514 10.280 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.204 -2.273 13.626 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.900 -0.472 12.290 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.106 -3.663 9.838 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.367 -3.144 10.339 1.00 0.00 C ATOM 1564 C LEU A 100 -11.486 -4.137 10.020 1.00 0.00 C ATOM 1565 O LEU A 100 -12.319 -4.435 10.875 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.621 -1.736 9.796 1.00 0.00 C ATOM 1567 CG LEU A 100 -9.814 -0.610 10.445 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -9.565 0.528 9.454 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.492 -0.117 11.725 1.00 0.00 C ATOM 0 H LEU A 100 -8.576 -3.011 9.260 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.332 -3.041 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.410 -1.737 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.681 -1.509 9.912 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.840 -1.008 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.989 1.315 9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.008 0.149 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.519 0.932 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.898 0.683 12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.487 0.258 11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.574 -0.941 12.434 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.469 -4.623 8.788 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.471 -5.577 8.345 1.00 0.00 C ATOM 1583 C GLY A 101 -13.311 -5.000 7.203 1.00 0.00 C ATOM 1584 O GLY A 101 -14.539 -5.030 7.255 1.00 0.00 O ATOM 0 H GLY A 101 -10.776 -4.374 8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.984 -6.495 8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.119 -5.843 9.180 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.614 -4.490 6.199 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.279 -3.907 5.046 1.00 0.00 C ATOM 1590 C VAL A 102 -13.043 -4.795 3.823 1.00 0.00 C ATOM 1591 O VAL A 102 -13.952 -5.013 3.024 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.805 -2.467 4.840 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.357 -1.889 3.536 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.186 -1.589 6.034 1.00 0.00 C ATOM 0 H VAL A 102 -11.595 -4.468 6.160 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.356 -3.860 5.210 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.718 -2.479 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.005 -0.865 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.014 -2.493 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.447 -1.897 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.838 -0.571 5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.269 -1.587 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.723 -1.984 6.938 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.816 -5.284 3.715 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.448 -6.144 2.603 1.00 0.00 C ATOM 1606 C ILE A 103 -11.215 -7.566 3.118 1.00 0.00 C ATOM 1607 O ILE A 103 -11.064 -7.777 4.321 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.252 -5.560 1.848 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.144 -5.141 2.815 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.687 -4.407 0.940 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.884 -4.718 2.056 1.00 0.00 C ATOM 0 H ILE A 103 -11.064 -5.101 4.379 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.260 -6.197 1.877 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.841 -6.339 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.492 -4.316 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.909 -5.968 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.818 -4.010 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.415 -4.770 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.138 -3.619 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.112 -4.425 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.525 -5.552 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.117 -3.875 1.406 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.194 -8.504 2.183 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.982 -9.899 2.527 1.00 0.00 C ATOM 1625 C GLU A 104 -9.583 -10.346 2.097 1.00 0.00 C ATOM 1626 O GLU A 104 -8.926 -9.668 1.308 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.058 -10.788 1.900 1.00 0.00 C ATOM 1628 CG GLU A 104 -11.917 -10.827 0.377 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.290 -10.843 -0.300 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.228 -10.281 0.306 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -13.370 -11.416 -1.408 1.00 0.00 O ATOM 0 H GLU A 104 -11.320 -8.325 1.187 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.058 -10.001 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.980 -11.798 2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.046 -10.414 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.350 -9.960 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.352 -11.712 0.083 1.00 0.00 H new