USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 638 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 34 THR OG1 : rot -8:sc= -1.42! USER MOD Set 1.2: A 36 ASN : amide:sc= -5.61! C(o=-7!,f=-13!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -5.79! C(o=-5.8!,f=-12!) USER MOD Single : A 19 MET CE :methyl -143:sc= -0.191 (180deg=-0.755) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.139) USER MOD Single : A 24 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.00099) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -2.32 X(o=-2.3,f=-2.7) USER MOD Single : A 29 ASN : amide:sc= -0.994 X(o=-0.99,f=-1.3) USER MOD Single : A 30 SER OG : rot -160:sc= -0.509 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 39 THR OG1 : rot 171:sc= -2.06! USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -64:sc= 1.07 USER MOD Single : A 48 SER OG : rot -64:sc= 0.522 USER MOD Single : A 51 THR OG1 : rot -25:sc= 1.06 USER MOD Single : A 54 SER OG : rot 124:sc= 0.491 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 1.13 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.109 K(o=-0.11,f=-2!) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= -3.16! (180deg=-3.74!) USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0.0425 (180deg=-0.0238) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= 0.637 (180deg=0.176) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N CYS A 2 5.743 -1.890 1.403 1.00 0.00 N ATOM 13 CA CYS A 2 6.352 -3.207 1.207 1.00 0.00 C ATOM 14 C CYS A 2 6.736 -3.838 2.550 1.00 0.00 C ATOM 15 O CYS A 2 7.809 -3.567 3.092 1.00 0.00 O ATOM 16 CB CYS A 2 7.594 -3.075 0.315 1.00 0.00 C ATOM 17 SG CYS A 2 7.148 -3.267 -1.431 1.00 0.00 S ATOM 0 HA CYS A 2 5.623 -3.856 0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.060 -2.102 0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.330 -3.829 0.593 1.00 0.00 H new ATOM 22 N TYR A 3 5.854 -4.689 3.070 1.00 0.00 N ATOM 23 CA TYR A 3 6.092 -5.374 4.347 1.00 0.00 C ATOM 24 C TYR A 3 5.980 -6.888 4.175 1.00 0.00 C ATOM 25 O TYR A 3 5.778 -7.385 3.067 1.00 0.00 O ATOM 26 CB TYR A 3 5.087 -4.889 5.393 1.00 0.00 C ATOM 27 CG TYR A 3 3.713 -4.816 4.775 1.00 0.00 C ATOM 28 CD1 TYR A 3 3.393 -3.759 3.915 1.00 0.00 C ATOM 29 CD2 TYR A 3 2.756 -5.797 5.064 1.00 0.00 C ATOM 30 CE1 TYR A 3 2.120 -3.681 3.343 1.00 0.00 C ATOM 31 CE2 TYR A 3 1.482 -5.719 4.491 1.00 0.00 C ATOM 32 CZ TYR A 3 1.164 -4.661 3.631 1.00 0.00 C ATOM 33 OH TYR A 3 -0.094 -4.587 3.067 1.00 0.00 O ATOM 0 H TYR A 3 4.965 -4.924 2.629 1.00 0.00 H new ATOM 0 HA TYR A 3 7.102 -5.139 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.078 -5.567 6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.381 -3.909 5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.131 -3.002 3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.001 -6.613 5.728 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.875 -2.865 2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.743 -6.475 4.712 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.634 -5.346 3.371 1.00 0.00 H new ATOM 43 N PHE A 4 6.139 -7.617 5.282 1.00 0.00 N ATOM 44 CA PHE A 4 6.083 -9.083 5.254 1.00 0.00 C ATOM 45 C PHE A 4 5.012 -9.632 6.186 1.00 0.00 C ATOM 46 O PHE A 4 4.998 -9.347 7.383 1.00 0.00 O ATOM 47 CB PHE A 4 7.434 -9.644 5.688 1.00 0.00 C ATOM 48 CG PHE A 4 8.496 -9.236 4.695 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.563 -9.865 3.448 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.415 -8.231 5.024 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.547 -9.489 2.527 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.399 -7.855 4.103 1.00 0.00 C ATOM 53 CZ PHE A 4 10.466 -8.483 2.854 1.00 0.00 C ATOM 0 H PHE A 4 6.307 -7.219 6.206 1.00 0.00 H new ATOM 0 HA PHE A 4 5.838 -9.384 4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.690 -9.275 6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.383 -10.731 5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.855 -10.641 3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.364 -7.747 5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.598 -9.974 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.107 -7.080 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.225 -8.193 2.143 1.00 0.00 H new ATOM 63 N ILE A 5 4.128 -10.446 5.616 1.00 0.00 N ATOM 64 CA ILE A 5 3.049 -11.082 6.367 1.00 0.00 C ATOM 65 C ILE A 5 3.284 -12.607 6.387 1.00 0.00 C ATOM 66 O ILE A 5 3.160 -13.253 5.350 1.00 0.00 O ATOM 67 CB ILE A 5 1.699 -10.780 5.682 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.185 -9.406 6.130 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.668 -11.858 6.048 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.019 -9.002 5.275 1.00 0.00 C ATOM 0 H ILE A 5 4.139 -10.683 4.624 1.00 0.00 H new ATOM 0 HA ILE A 5 3.031 -10.697 7.386 1.00 0.00 H new ATOM 0 HB ILE A 5 1.845 -10.778 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.902 -9.438 7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.976 -8.662 6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.281 -11.635 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.027 -12.832 5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.525 -11.873 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.382 -8.025 5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.279 -8.952 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.812 -9.740 5.392 1.00 0.00 H new ATOM 82 N PRO A 6 3.595 -13.210 7.514 1.00 0.00 N ATOM 83 CA PRO A 6 3.804 -14.689 7.568 1.00 0.00 C ATOM 84 C PRO A 6 2.609 -15.457 7.004 1.00 0.00 C ATOM 85 O PRO A 6 1.540 -14.890 6.775 1.00 0.00 O ATOM 86 CB PRO A 6 3.991 -14.993 9.064 1.00 0.00 C ATOM 87 CG PRO A 6 4.402 -13.698 9.691 1.00 0.00 C ATOM 88 CD PRO A 6 3.797 -12.581 8.836 1.00 0.00 C ATOM 0 HA PRO A 6 4.657 -14.997 6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.067 -15.367 9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.750 -15.760 9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.044 -13.635 10.719 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.488 -13.613 9.726 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.857 -12.223 9.255 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.465 -11.722 8.771 1.00 0.00 H new ATOM 96 N ASN A 7 2.802 -16.755 6.797 1.00 0.00 N ATOM 97 CA ASN A 7 1.735 -17.604 6.279 1.00 0.00 C ATOM 98 C ASN A 7 0.572 -17.627 7.262 1.00 0.00 C ATOM 99 O ASN A 7 -0.592 -17.568 6.869 1.00 0.00 O ATOM 100 CB ASN A 7 2.260 -19.029 6.069 1.00 0.00 C ATOM 101 CG ASN A 7 3.021 -19.121 4.755 1.00 0.00 C ATOM 102 OD1 ASN A 7 3.671 -18.161 4.343 1.00 0.00 O ATOM 103 ND2 ASN A 7 2.974 -20.227 4.066 1.00 0.00 N ATOM 0 H ASN A 7 3.681 -17.240 6.978 1.00 0.00 H new ATOM 0 HA ASN A 7 1.392 -17.203 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.913 -19.309 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.429 -19.734 6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.477 -20.299 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.434 -21.020 4.411 1.00 0.00 H new ATOM 252 N CYS A 18 -1.746 -19.505 0.830 1.00 0.00 N ATOM 253 CA CYS A 18 -1.879 -18.088 0.499 1.00 0.00 C ATOM 254 C CYS A 18 -3.126 -17.860 -0.356 1.00 0.00 C ATOM 255 O CYS A 18 -3.072 -17.945 -1.582 1.00 0.00 O ATOM 256 CB CYS A 18 -0.633 -17.604 -0.259 1.00 0.00 C ATOM 257 SG CYS A 18 -0.030 -18.911 -1.355 1.00 0.00 S ATOM 0 HA CYS A 18 -1.976 -17.521 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.873 -16.713 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.147 -17.323 0.449 1.00 0.00 H new ATOM 262 N MET A 19 -4.246 -17.556 0.302 1.00 0.00 N ATOM 263 CA MET A 19 -5.507 -17.298 -0.398 1.00 0.00 C ATOM 264 C MET A 19 -5.889 -15.831 -0.240 1.00 0.00 C ATOM 265 O MET A 19 -5.858 -15.289 0.865 1.00 0.00 O ATOM 266 CB MET A 19 -6.614 -18.185 0.176 1.00 0.00 C ATOM 267 CG MET A 19 -7.895 -17.995 -0.637 1.00 0.00 C ATOM 268 SD MET A 19 -9.166 -19.142 -0.034 1.00 0.00 S ATOM 269 CE MET A 19 -9.491 -20.012 -1.591 1.00 0.00 C ATOM 0 H MET A 19 -4.306 -17.482 1.318 1.00 0.00 H new ATOM 0 HA MET A 19 -5.382 -17.527 -1.456 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.307 -19.230 0.150 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.793 -17.931 1.221 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.246 -16.967 -0.549 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.698 -18.175 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.554 -20.240 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.196 -19.380 -2.429 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.918 -20.939 -1.616 1.00 0.00 H new ATOM 279 N ASP A 20 -6.237 -15.189 -1.350 1.00 0.00 N ATOM 280 CA ASP A 20 -6.610 -13.782 -1.315 1.00 0.00 C ATOM 281 C ASP A 20 -7.991 -13.601 -0.697 1.00 0.00 C ATOM 282 O ASP A 20 -8.731 -14.565 -0.504 1.00 0.00 O ATOM 283 CB ASP A 20 -6.593 -13.197 -2.729 1.00 0.00 C ATOM 284 CG ASP A 20 -6.816 -11.690 -2.670 1.00 0.00 C ATOM 285 OD1 ASP A 20 -6.050 -11.025 -1.992 1.00 0.00 O ATOM 286 OD2 ASP A 20 -7.748 -11.224 -3.303 1.00 0.00 O ATOM 0 H ASP A 20 -6.268 -15.616 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.883 -13.253 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.639 -13.414 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.369 -13.665 -3.335 1.00 0.00 H new ATOM 291 N LEU A 21 -8.323 -12.355 -0.379 1.00 0.00 N ATOM 292 CA LEU A 21 -9.608 -12.032 0.233 1.00 0.00 C ATOM 293 C LEU A 21 -10.771 -12.374 -0.702 1.00 0.00 C ATOM 294 O LEU A 21 -11.862 -12.714 -0.247 1.00 0.00 O ATOM 295 CB LEU A 21 -9.648 -10.537 0.596 1.00 0.00 C ATOM 296 CG LEU A 21 -8.922 -10.301 1.927 1.00 0.00 C ATOM 297 CD1 LEU A 21 -7.456 -10.723 1.797 1.00 0.00 C ATOM 298 CD2 LEU A 21 -8.996 -8.814 2.293 1.00 0.00 C ATOM 0 H LEU A 21 -7.718 -11.549 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.716 -12.632 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.178 -9.950 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.682 -10.200 0.671 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.399 -10.893 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.943 -10.554 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.403 -11.781 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.976 -10.135 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.480 -8.646 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.521 -8.223 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.040 -8.515 2.391 1.00 0.00 H new ATOM 310 N LYS A 22 -10.531 -12.291 -2.005 1.00 0.00 N ATOM 311 CA LYS A 22 -11.570 -12.604 -2.983 1.00 0.00 C ATOM 312 C LYS A 22 -11.933 -14.086 -2.926 1.00 0.00 C ATOM 313 O LYS A 22 -13.096 -14.458 -3.088 1.00 0.00 O ATOM 314 CB LYS A 22 -11.089 -12.252 -4.395 1.00 0.00 C ATOM 315 CG LYS A 22 -10.797 -10.747 -4.512 1.00 0.00 C ATOM 316 CD LYS A 22 -12.103 -9.954 -4.659 1.00 0.00 C ATOM 317 CE LYS A 22 -11.777 -8.477 -4.879 1.00 0.00 C ATOM 318 NZ LYS A 22 -13.045 -7.711 -5.041 1.00 0.00 N ATOM 0 H LYS A 22 -9.636 -12.013 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.454 -12.013 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.190 -12.821 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.847 -12.538 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.256 -10.406 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.154 -10.561 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.683 -10.339 -5.498 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.717 -10.073 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.209 -8.088 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.152 -8.359 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.846 -6.807 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.713 -8.264 -5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.461 -7.527 -4.106 1.00 0.00 H new ATOM 332 N GLY A 23 -10.924 -14.929 -2.717 1.00 0.00 N ATOM 333 CA GLY A 23 -11.122 -16.381 -2.661 1.00 0.00 C ATOM 334 C GLY A 23 -10.336 -17.048 -3.785 1.00 0.00 C ATOM 335 O GLY A 23 -10.626 -18.174 -4.190 1.00 0.00 O ATOM 0 H GLY A 23 -9.957 -14.633 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.793 -16.766 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.182 -16.618 -2.755 1.00 0.00 H new ATOM 339 N ASN A 24 -9.343 -16.321 -4.288 1.00 0.00 N ATOM 340 CA ASN A 24 -8.501 -16.809 -5.379 1.00 0.00 C ATOM 341 C ASN A 24 -7.212 -17.417 -4.837 1.00 0.00 C ATOM 342 O ASN A 24 -6.597 -16.882 -3.918 1.00 0.00 O ATOM 343 CB ASN A 24 -8.163 -15.653 -6.323 1.00 0.00 C ATOM 344 CG ASN A 24 -9.436 -15.127 -6.978 1.00 0.00 C ATOM 345 OD1 ASN A 24 -9.455 -14.005 -7.483 1.00 0.00 O ATOM 346 ND2 ASN A 24 -10.508 -15.871 -6.994 1.00 0.00 N ATOM 0 H ASN A 24 -9.100 -15.387 -3.957 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.049 -17.580 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.671 -14.853 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.463 -15.989 -7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.364 -15.523 -7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.490 -16.801 -6.575 1.00 0.00 H new ATOM 353 N LYS A 25 -6.811 -18.543 -5.425 1.00 0.00 N ATOM 354 CA LYS A 25 -5.590 -19.232 -5.011 1.00 0.00 C ATOM 355 C LYS A 25 -4.418 -18.777 -5.870 1.00 0.00 C ATOM 356 O LYS A 25 -4.597 -18.403 -7.028 1.00 0.00 O ATOM 357 CB LYS A 25 -5.775 -20.743 -5.157 1.00 0.00 C ATOM 358 CG LYS A 25 -6.836 -21.226 -4.162 1.00 0.00 C ATOM 359 CD LYS A 25 -7.130 -22.716 -4.391 1.00 0.00 C ATOM 360 CE LYS A 25 -6.015 -23.577 -3.785 1.00 0.00 C ATOM 361 NZ LYS A 25 -6.437 -25.006 -3.790 1.00 0.00 N ATOM 0 H LYS A 25 -7.313 -18.997 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.384 -18.991 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.078 -20.986 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.830 -21.255 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.488 -21.068 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.750 -20.644 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.087 -22.978 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.215 -22.917 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.095 -23.456 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.802 -23.252 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.682 -25.592 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.304 -25.114 -3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.619 -25.311 -4.768 1.00 0.00 H new ATOM 375 N HIS A 26 -3.212 -18.813 -5.302 1.00 0.00 N ATOM 376 CA HIS A 26 -2.016 -18.400 -6.037 1.00 0.00 C ATOM 377 C HIS A 26 -0.813 -19.280 -5.648 1.00 0.00 C ATOM 378 O HIS A 26 -0.482 -19.377 -4.468 1.00 0.00 O ATOM 379 CB HIS A 26 -1.697 -16.937 -5.721 1.00 0.00 C ATOM 380 CG HIS A 26 -2.948 -16.113 -5.858 1.00 0.00 C ATOM 381 ND1 HIS A 26 -3.559 -15.896 -7.084 1.00 0.00 N ATOM 382 CD2 HIS A 26 -3.714 -15.447 -4.934 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.643 -15.129 -6.866 1.00 0.00 C ATOM 384 NE2 HIS A 26 -4.784 -14.827 -5.573 1.00 0.00 N ATOM 0 H HIS A 26 -3.038 -19.121 -4.345 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.207 -18.514 -7.104 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.300 -16.850 -4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.928 -16.566 -6.399 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -3.244 -16.253 -7.986 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.517 -15.410 -3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -5.317 -14.798 -7.642 1.00 0.00 H new ATOM 393 N PRO A 27 -0.151 -19.918 -6.596 1.00 0.00 N ATOM 394 CA PRO A 27 1.027 -20.790 -6.298 1.00 0.00 C ATOM 395 C PRO A 27 2.280 -19.965 -6.007 1.00 0.00 C ATOM 396 O PRO A 27 2.224 -18.741 -5.950 1.00 0.00 O ATOM 397 CB PRO A 27 1.183 -21.620 -7.577 1.00 0.00 C ATOM 398 CG PRO A 27 0.693 -20.726 -8.666 1.00 0.00 C ATOM 399 CD PRO A 27 -0.435 -19.891 -8.049 1.00 0.00 C ATOM 0 HA PRO A 27 0.886 -21.403 -5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.222 -21.909 -7.738 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.600 -22.540 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.494 -20.087 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.330 -21.306 -9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.434 -18.872 -8.436 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.414 -20.316 -8.272 1.00 0.00 H new ATOM 407 N ILE A 28 3.411 -20.638 -5.830 1.00 0.00 N ATOM 408 CA ILE A 28 4.656 -19.927 -5.568 1.00 0.00 C ATOM 409 C ILE A 28 5.094 -19.180 -6.824 1.00 0.00 C ATOM 410 O ILE A 28 4.822 -19.623 -7.937 1.00 0.00 O ATOM 411 CB ILE A 28 5.761 -20.902 -5.153 1.00 0.00 C ATOM 412 CG1 ILE A 28 5.281 -21.786 -3.990 1.00 0.00 C ATOM 413 CG2 ILE A 28 7.010 -20.120 -4.731 1.00 0.00 C ATOM 414 CD1 ILE A 28 4.822 -20.928 -2.801 1.00 0.00 C ATOM 0 H ILE A 28 3.492 -21.654 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 28 4.484 -19.222 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 28 6.006 -21.541 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.460 -22.420 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.087 -22.449 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.794 -20.818 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.359 -19.514 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.766 -19.472 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.487 -21.577 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.653 -20.314 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.000 -20.284 -3.113 1.00 0.00 H new ATOM 426 N ASN A 29 5.766 -18.049 -6.625 1.00 0.00 N ATOM 427 CA ASN A 29 6.254 -17.222 -7.733 1.00 0.00 C ATOM 428 C ASN A 29 5.112 -16.477 -8.420 1.00 0.00 C ATOM 429 O ASN A 29 5.349 -15.651 -9.302 1.00 0.00 O ATOM 430 CB ASN A 29 7.004 -18.075 -8.761 1.00 0.00 C ATOM 431 CG ASN A 29 7.982 -19.004 -8.050 1.00 0.00 C ATOM 432 OD1 ASN A 29 8.816 -18.547 -7.270 1.00 0.00 O ATOM 433 ND2 ASN A 29 7.927 -20.291 -8.270 1.00 0.00 N ATOM 0 H ASN A 29 5.988 -17.679 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 29 6.940 -16.488 -7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.295 -18.659 -9.348 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.541 -17.432 -9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.576 -20.918 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.235 -20.669 -8.917 1.00 0.00 H new ATOM 440 N SER A 30 3.876 -16.751 -8.004 1.00 0.00 N ATOM 441 CA SER A 30 2.715 -16.072 -8.583 1.00 0.00 C ATOM 442 C SER A 30 2.327 -14.888 -7.707 1.00 0.00 C ATOM 443 O SER A 30 2.429 -14.951 -6.482 1.00 0.00 O ATOM 444 CB SER A 30 1.532 -17.036 -8.701 1.00 0.00 C ATOM 445 OG SER A 30 1.742 -17.898 -9.811 1.00 0.00 O ATOM 0 H SER A 30 3.653 -17.430 -7.277 1.00 0.00 H new ATOM 0 HA SER A 30 2.977 -15.719 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.430 -17.620 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.604 -16.478 -8.828 1.00 0.00 H new ATOM 0 HG SER A 30 0.887 -18.288 -10.089 1.00 0.00 H new ATOM 451 N GLU A 31 1.879 -13.808 -8.340 1.00 0.00 N ATOM 452 CA GLU A 31 1.472 -12.604 -7.613 1.00 0.00 C ATOM 453 C GLU A 31 0.036 -12.253 -7.967 1.00 0.00 C ATOM 454 O GLU A 31 -0.429 -12.548 -9.069 1.00 0.00 O ATOM 455 CB GLU A 31 2.388 -11.438 -7.983 1.00 0.00 C ATOM 456 CG GLU A 31 3.830 -11.787 -7.614 1.00 0.00 C ATOM 457 CD GLU A 31 4.761 -10.644 -8.002 1.00 0.00 C ATOM 458 OE1 GLU A 31 4.262 -9.624 -8.450 1.00 0.00 O ATOM 459 OE2 GLU A 31 5.962 -10.805 -7.850 1.00 0.00 O ATOM 0 H GLU A 31 1.788 -13.739 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 31 1.546 -12.793 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.315 -11.228 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.075 -10.535 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.903 -11.979 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.133 -12.702 -8.123 1.00 0.00 H new ATOM 466 N TRP A 32 -0.674 -11.627 -7.030 1.00 0.00 N ATOM 467 CA TRP A 32 -2.066 -11.247 -7.259 1.00 0.00 C ATOM 468 C TRP A 32 -2.323 -9.838 -6.742 1.00 0.00 C ATOM 469 O TRP A 32 -1.668 -9.380 -5.805 1.00 0.00 O ATOM 470 CB TRP A 32 -2.994 -12.229 -6.543 1.00 0.00 C ATOM 471 CG TRP A 32 -2.667 -12.255 -5.083 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.350 -11.587 -4.124 1.00 0.00 C ATOM 473 CD2 TRP A 32 -1.598 -12.971 -4.398 1.00 0.00 C ATOM 474 NE1 TRP A 32 -2.769 -11.846 -2.896 1.00 0.00 N ATOM 475 CE2 TRP A 32 -1.685 -12.695 -3.012 1.00 0.00 C ATOM 476 CE3 TRP A 32 -0.571 -13.824 -4.838 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -0.785 -13.248 -2.097 1.00 0.00 C ATOM 478 CZ3 TRP A 32 0.335 -14.380 -3.922 1.00 0.00 C ATOM 479 CH2 TRP A 32 0.227 -14.091 -2.553 1.00 0.00 C ATOM 0 H TRP A 32 -0.311 -11.374 -6.111 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.263 -11.273 -8.331 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.033 -11.934 -6.688 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.883 -13.226 -6.969 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.209 -10.954 -4.291 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.100 -11.458 -2.013 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.479 -14.053 -5.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.873 -13.024 -1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.120 -15.034 -4.273 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.928 -14.522 -1.853 1.00 0.00 H new ATOM 490 N GLN A 33 -3.283 -9.152 -7.362 1.00 0.00 N ATOM 491 CA GLN A 33 -3.636 -7.784 -6.968 1.00 0.00 C ATOM 492 C GLN A 33 -5.020 -7.760 -6.327 1.00 0.00 C ATOM 493 O GLN A 33 -5.943 -8.429 -6.794 1.00 0.00 O ATOM 494 CB GLN A 33 -3.622 -6.869 -8.192 1.00 0.00 C ATOM 495 CG GLN A 33 -2.184 -6.699 -8.688 1.00 0.00 C ATOM 496 CD GLN A 33 -2.168 -5.836 -9.945 1.00 0.00 C ATOM 497 OE1 GLN A 33 -3.210 -5.331 -10.363 1.00 0.00 O ATOM 498 NE2 GLN A 33 -1.045 -5.637 -10.576 1.00 0.00 N ATOM 0 H GLN A 33 -3.831 -9.519 -8.140 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.903 -7.429 -6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.243 -7.292 -8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.047 -5.898 -7.938 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.574 -6.237 -7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.745 -7.674 -8.900 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.183 -6.057 -10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.028 -5.062 -11.418 1.00 0.00 H new ATOM 507 N THR A 34 -5.151 -6.992 -5.248 1.00 0.00 N ATOM 508 CA THR A 34 -6.423 -6.885 -4.530 1.00 0.00 C ATOM 509 C THR A 34 -7.226 -5.682 -5.011 1.00 0.00 C ATOM 510 O THR A 34 -6.731 -4.858 -5.780 1.00 0.00 O ATOM 511 CB THR A 34 -6.159 -6.756 -3.031 1.00 0.00 C ATOM 512 OG1 THR A 34 -5.831 -5.409 -2.725 1.00 0.00 O ATOM 513 CG2 THR A 34 -4.993 -7.663 -2.643 1.00 0.00 C ATOM 0 H THR A 34 -4.395 -6.435 -4.851 1.00 0.00 H new ATOM 0 HA THR A 34 -7.003 -7.787 -4.728 1.00 0.00 H new ATOM 0 HB THR A 34 -7.050 -7.049 -2.476 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.718 -4.903 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.802 -7.573 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.241 -8.697 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.102 -7.367 -3.197 1.00 0.00 H new ATOM 521 N ASP A 35 -8.470 -5.589 -4.549 1.00 0.00 N ATOM 522 CA ASP A 35 -9.339 -4.484 -4.932 1.00 0.00 C ATOM 523 C ASP A 35 -8.922 -3.219 -4.202 1.00 0.00 C ATOM 524 O ASP A 35 -9.388 -2.958 -3.097 1.00 0.00 O ATOM 525 CB ASP A 35 -10.787 -4.812 -4.567 1.00 0.00 C ATOM 526 CG ASP A 35 -11.741 -3.856 -5.277 1.00 0.00 C ATOM 527 OD1 ASP A 35 -11.337 -3.270 -6.269 1.00 0.00 O ATOM 528 OD2 ASP A 35 -12.861 -3.723 -4.817 1.00 0.00 O ATOM 0 H ASP A 35 -8.896 -6.263 -3.912 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.256 -4.331 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.016 -5.840 -4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.923 -4.738 -3.488 1.00 0.00 H new ATOM 533 N ASN A 36 -8.051 -2.444 -4.843 1.00 0.00 N ATOM 534 CA ASN A 36 -7.546 -1.186 -4.283 1.00 0.00 C ATOM 535 C ASN A 36 -6.188 -0.860 -4.911 1.00 0.00 C ATOM 536 O ASN A 36 -6.096 -0.563 -6.101 1.00 0.00 O ATOM 537 CB ASN A 36 -7.395 -1.282 -2.752 1.00 0.00 C ATOM 538 CG ASN A 36 -6.777 -2.627 -2.388 1.00 0.00 C ATOM 539 OD1 ASN A 36 -5.823 -3.063 -3.031 1.00 0.00 O ATOM 540 ND2 ASN A 36 -7.268 -3.319 -1.399 1.00 0.00 N ATOM 0 H ASN A 36 -7.674 -2.667 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.262 -0.396 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.767 -0.470 -2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.368 -1.174 -2.272 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.861 -4.223 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.059 -2.957 -0.866 1.00 0.00 H new ATOM 547 N CYS A 37 -5.141 -0.917 -4.093 1.00 0.00 N ATOM 548 CA CYS A 37 -3.794 -0.633 -4.551 1.00 0.00 C ATOM 549 C CYS A 37 -2.785 -1.354 -3.671 1.00 0.00 C ATOM 550 O CYS A 37 -1.897 -0.735 -3.083 1.00 0.00 O ATOM 551 CB CYS A 37 -3.536 0.883 -4.537 1.00 0.00 C ATOM 552 SG CYS A 37 -2.326 1.289 -5.820 1.00 0.00 S ATOM 0 H CYS A 37 -5.206 -1.159 -3.104 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.684 -0.991 -5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.466 1.424 -4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.166 1.193 -3.560 1.00 0.00 H new ATOM 557 N GLU A 38 -2.909 -2.683 -3.607 1.00 0.00 N ATOM 558 CA GLU A 38 -1.990 -3.505 -2.826 1.00 0.00 C ATOM 559 C GLU A 38 -1.666 -4.761 -3.628 1.00 0.00 C ATOM 560 O GLU A 38 -2.505 -5.247 -4.387 1.00 0.00 O ATOM 561 CB GLU A 38 -2.621 -3.899 -1.486 1.00 0.00 C ATOM 562 CG GLU A 38 -3.289 -2.679 -0.847 1.00 0.00 C ATOM 563 CD GLU A 38 -3.888 -3.060 0.502 1.00 0.00 C ATOM 564 OE1 GLU A 38 -4.516 -4.104 0.577 1.00 0.00 O ATOM 565 OE2 GLU A 38 -3.710 -2.305 1.444 1.00 0.00 O ATOM 0 H GLU A 38 -3.638 -3.209 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.082 -2.938 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.356 -4.689 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.858 -4.298 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.559 -1.880 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.068 -2.295 -1.505 1.00 0.00 H new ATOM 572 N THR A 39 -0.454 -5.290 -3.471 1.00 0.00 N ATOM 573 CA THR A 39 -0.059 -6.499 -4.210 1.00 0.00 C ATOM 574 C THR A 39 0.758 -7.434 -3.328 1.00 0.00 C ATOM 575 O THR A 39 1.795 -7.046 -2.789 1.00 0.00 O ATOM 576 CB THR A 39 0.759 -6.107 -5.444 1.00 0.00 C ATOM 577 OG1 THR A 39 -0.019 -5.249 -6.265 1.00 0.00 O ATOM 578 CG2 THR A 39 1.143 -7.358 -6.236 1.00 0.00 C ATOM 0 H THR A 39 0.264 -4.913 -2.852 1.00 0.00 H new ATOM 0 HA THR A 39 -0.963 -7.022 -4.521 1.00 0.00 H new ATOM 0 HB THR A 39 1.667 -5.594 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.543 -4.879 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.724 -7.070 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.739 -8.019 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.240 -7.878 -6.555 1.00 0.00 H new ATOM 586 N CYS A 40 0.277 -8.673 -3.179 1.00 0.00 N ATOM 587 CA CYS A 40 0.960 -9.668 -2.345 1.00 0.00 C ATOM 588 C CYS A 40 1.518 -10.818 -3.177 1.00 0.00 C ATOM 589 O CYS A 40 1.011 -11.135 -4.255 1.00 0.00 O ATOM 590 CB CYS A 40 0.001 -10.201 -1.276 1.00 0.00 C ATOM 591 SG CYS A 40 -0.435 -8.874 -0.114 1.00 0.00 S ATOM 0 H CYS A 40 -0.578 -9.010 -3.622 1.00 0.00 H new ATOM 0 HA CYS A 40 1.804 -9.176 -1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.900 -10.593 -1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.466 -11.028 -0.739 1.00 0.00 H new ATOM 596 N THR A 41 2.580 -11.432 -2.651 1.00 0.00 N ATOM 597 CA THR A 41 3.253 -12.555 -3.319 1.00 0.00 C ATOM 598 C THR A 41 3.348 -13.762 -2.384 1.00 0.00 C ATOM 599 O THR A 41 3.647 -13.615 -1.203 1.00 0.00 O ATOM 600 CB THR A 41 4.666 -12.136 -3.741 1.00 0.00 C ATOM 601 OG1 THR A 41 4.593 -10.974 -4.553 1.00 0.00 O ATOM 602 CG2 THR A 41 5.336 -13.270 -4.525 1.00 0.00 C ATOM 0 H THR A 41 2.997 -11.170 -1.758 1.00 0.00 H new ATOM 0 HA THR A 41 2.669 -12.831 -4.197 1.00 0.00 H new ATOM 0 HB THR A 41 5.257 -11.922 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.496 -10.705 -4.821 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.339 -12.964 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.398 -14.159 -3.897 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.748 -13.494 -5.415 1.00 0.00 H new ATOM 610 N CYS A 42 3.094 -14.955 -2.926 1.00 0.00 N ATOM 611 CA CYS A 42 3.155 -16.187 -2.133 1.00 0.00 C ATOM 612 C CYS A 42 4.535 -16.834 -2.239 1.00 0.00 C ATOM 613 O CYS A 42 5.097 -16.946 -3.328 1.00 0.00 O ATOM 614 CB CYS A 42 2.097 -17.184 -2.629 1.00 0.00 C ATOM 615 SG CYS A 42 1.958 -18.562 -1.460 1.00 0.00 S ATOM 0 H CYS A 42 2.845 -15.095 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 42 2.962 -15.928 -1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.134 -16.685 -2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.370 -17.558 -3.616 1.00 0.00 H new ATOM 620 N TYR A 43 5.055 -17.290 -1.100 1.00 0.00 N ATOM 621 CA TYR A 43 6.355 -17.970 -1.049 1.00 0.00 C ATOM 622 C TYR A 43 6.196 -19.298 -0.316 1.00 0.00 C ATOM 623 O TYR A 43 5.093 -19.657 0.100 1.00 0.00 O ATOM 624 CB TYR A 43 7.417 -17.120 -0.340 1.00 0.00 C ATOM 625 CG TYR A 43 7.768 -15.919 -1.189 1.00 0.00 C ATOM 626 CD1 TYR A 43 8.656 -16.058 -2.264 1.00 0.00 C ATOM 627 CD2 TYR A 43 7.209 -14.667 -0.900 1.00 0.00 C ATOM 628 CE1 TYR A 43 8.986 -14.946 -3.049 1.00 0.00 C ATOM 629 CE2 TYR A 43 7.540 -13.558 -1.686 1.00 0.00 C ATOM 630 CZ TYR A 43 8.427 -13.696 -2.759 1.00 0.00 C ATOM 631 OH TYR A 43 8.749 -12.600 -3.531 1.00 0.00 O ATOM 0 H TYR A 43 4.595 -17.202 -0.194 1.00 0.00 H new ATOM 0 HA TYR A 43 6.690 -18.135 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.045 -16.793 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.309 -17.718 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.086 -17.023 -2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.524 -14.558 -0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.671 -15.053 -3.877 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.110 -12.593 -1.464 1.00 0.00 H new ATOM 0 HH TYR A 43 8.274 -11.812 -3.195 1.00 0.00 H new ATOM 641 N GLU A 44 7.288 -20.030 -0.178 1.00 0.00 N ATOM 642 CA GLU A 44 7.248 -21.328 0.486 1.00 0.00 C ATOM 643 C GLU A 44 6.518 -21.257 1.825 1.00 0.00 C ATOM 644 O GLU A 44 5.583 -22.023 2.068 1.00 0.00 O ATOM 645 CB GLU A 44 8.675 -21.824 0.719 1.00 0.00 C ATOM 646 CG GLU A 44 9.331 -22.156 -0.623 1.00 0.00 C ATOM 647 CD GLU A 44 8.643 -23.360 -1.255 1.00 0.00 C ATOM 648 OE1 GLU A 44 8.534 -24.376 -0.586 1.00 0.00 O ATOM 649 OE2 GLU A 44 8.232 -23.250 -2.397 1.00 0.00 O ATOM 0 H GLU A 44 8.210 -19.752 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 44 6.704 -22.017 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.255 -21.062 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.664 -22.707 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.266 -21.297 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.390 -22.367 -0.477 1.00 0.00 H new ATOM 656 N THR A 45 6.956 -20.354 2.702 1.00 0.00 N ATOM 657 CA THR A 45 6.335 -20.221 4.025 1.00 0.00 C ATOM 658 C THR A 45 6.240 -18.755 4.450 1.00 0.00 C ATOM 659 O THR A 45 6.412 -18.433 5.625 1.00 0.00 O ATOM 660 CB THR A 45 7.161 -21.000 5.054 1.00 0.00 C ATOM 661 OG1 THR A 45 6.694 -20.704 6.361 1.00 0.00 O ATOM 662 CG2 THR A 45 8.633 -20.606 4.931 1.00 0.00 C ATOM 0 H THR A 45 7.728 -19.710 2.527 1.00 0.00 H new ATOM 0 HA THR A 45 5.324 -20.625 3.971 1.00 0.00 H new ATOM 0 HB THR A 45 7.057 -22.069 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.841 -19.754 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.220 -21.160 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.990 -20.840 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.740 -19.537 5.114 1.00 0.00 H new ATOM 670 N GLU A 46 5.952 -17.872 3.496 1.00 0.00 N ATOM 671 CA GLU A 46 5.825 -16.447 3.805 1.00 0.00 C ATOM 672 C GLU A 46 5.077 -15.723 2.688 1.00 0.00 C ATOM 673 O GLU A 46 5.036 -16.185 1.549 1.00 0.00 O ATOM 674 CB GLU A 46 7.216 -15.818 3.974 1.00 0.00 C ATOM 675 CG GLU A 46 7.076 -14.384 4.498 1.00 0.00 C ATOM 676 CD GLU A 46 8.450 -13.810 4.826 1.00 0.00 C ATOM 677 OE1 GLU A 46 9.389 -14.584 4.910 1.00 0.00 O ATOM 678 OE2 GLU A 46 8.542 -12.606 4.992 1.00 0.00 O ATOM 0 H GLU A 46 5.804 -18.112 2.516 1.00 0.00 H new ATOM 0 HA GLU A 46 5.264 -16.347 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.812 -16.412 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.743 -15.817 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.582 -13.762 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.447 -14.373 5.388 1.00 0.00 H new ATOM 685 N ILE A 47 4.502 -14.572 3.019 1.00 0.00 N ATOM 686 CA ILE A 47 3.779 -13.758 2.043 1.00 0.00 C ATOM 687 C ILE A 47 4.255 -12.318 2.131 1.00 0.00 C ATOM 688 O ILE A 47 4.315 -11.739 3.212 1.00 0.00 O ATOM 689 CB ILE A 47 2.268 -13.833 2.297 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.770 -15.265 2.011 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.537 -12.845 1.373 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.443 -15.513 2.741 1.00 0.00 C ATOM 0 H ILE A 47 4.522 -14.178 3.960 1.00 0.00 H new ATOM 0 HA ILE A 47 3.978 -14.142 1.043 1.00 0.00 H new ATOM 0 HB ILE A 47 2.064 -13.575 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.637 -15.405 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.515 -15.990 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.464 -12.901 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.887 -11.832 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.741 -13.100 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.098 -16.526 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.590 -15.392 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.303 -14.798 2.394 1.00 0.00 H new ATOM 704 N SER A 48 4.570 -11.735 0.980 1.00 0.00 N ATOM 705 CA SER A 48 5.012 -10.347 0.925 1.00 0.00 C ATOM 706 C SER A 48 3.830 -9.492 0.523 1.00 0.00 C ATOM 707 O SER A 48 2.879 -10.000 -0.056 1.00 0.00 O ATOM 708 CB SER A 48 6.141 -10.187 -0.090 1.00 0.00 C ATOM 709 OG SER A 48 7.324 -10.782 0.427 1.00 0.00 O ATOM 0 H SER A 48 4.528 -12.201 0.074 1.00 0.00 H new ATOM 0 HA SER A 48 5.389 -10.039 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.866 -10.657 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.312 -9.131 -0.298 1.00 0.00 H new ATOM 0 HG SER A 48 7.609 -10.298 1.230 1.00 0.00 H new ATOM 715 N CYS A 49 3.887 -8.206 0.840 1.00 0.00 N ATOM 716 CA CYS A 49 2.788 -7.304 0.503 1.00 0.00 C ATOM 717 C CYS A 49 3.248 -5.861 0.412 1.00 0.00 C ATOM 718 O CYS A 49 3.934 -5.357 1.296 1.00 0.00 O ATOM 719 CB CYS A 49 1.671 -7.424 1.543 1.00 0.00 C ATOM 720 SG CYS A 49 0.884 -9.053 1.413 1.00 0.00 S ATOM 0 H CYS A 49 4.670 -7.766 1.323 1.00 0.00 H new ATOM 0 HA CYS A 49 2.412 -7.598 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.078 -7.285 2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.931 -6.639 1.388 1.00 0.00 H new ATOM 725 N CYS A 50 2.836 -5.199 -0.664 1.00 0.00 N ATOM 726 CA CYS A 50 3.175 -3.798 -0.885 1.00 0.00 C ATOM 727 C CYS A 50 1.911 -3.026 -1.216 1.00 0.00 C ATOM 728 O CYS A 50 1.087 -3.469 -2.012 1.00 0.00 O ATOM 729 CB CYS A 50 4.209 -3.662 -2.018 1.00 0.00 C ATOM 730 SG CYS A 50 5.371 -2.327 -1.624 1.00 0.00 S ATOM 0 H CYS A 50 2.264 -5.613 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 50 3.620 -3.387 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.748 -4.601 -2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.705 -3.452 -2.961 1.00 0.00 H new ATOM 735 N THR A 51 1.765 -1.882 -0.580 1.00 0.00 N ATOM 736 CA THR A 51 0.590 -1.046 -0.780 1.00 0.00 C ATOM 737 C THR A 51 0.735 -0.188 -2.022 1.00 0.00 C ATOM 738 O THR A 51 -0.058 0.720 -2.269 1.00 0.00 O ATOM 739 CB THR A 51 0.376 -0.185 0.449 1.00 0.00 C ATOM 740 OG1 THR A 51 -0.752 0.658 0.254 1.00 0.00 O ATOM 741 CG2 THR A 51 1.619 0.664 0.722 1.00 0.00 C ATOM 0 H THR A 51 2.444 -1.506 0.082 1.00 0.00 H new ATOM 0 HA THR A 51 -0.280 -1.685 -0.928 1.00 0.00 H new ATOM 0 HB THR A 51 0.197 -0.832 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.888 0.806 -0.705 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.453 1.278 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.476 0.011 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.815 1.308 -0.135 1.00 0.00 H new ATOM 749 N LEU A 52 1.751 -0.501 -2.809 1.00 0.00 N ATOM 750 CA LEU A 52 2.010 0.217 -4.053 1.00 0.00 C ATOM 751 C LEU A 52 2.041 1.734 -3.844 1.00 0.00 C ATOM 752 O LEU A 52 2.221 2.492 -4.799 1.00 0.00 O ATOM 753 CB LEU A 52 0.908 -0.129 -5.064 1.00 0.00 C ATOM 754 CG LEU A 52 0.990 -1.625 -5.454 1.00 0.00 C ATOM 755 CD1 LEU A 52 -0.389 -2.132 -5.919 1.00 0.00 C ATOM 756 CD2 LEU A 52 2.009 -1.817 -6.588 1.00 0.00 C ATOM 0 H LEU A 52 2.414 -1.250 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 52 2.989 -0.088 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.070 0.089 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.012 0.492 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 52 1.306 -2.194 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.317 -3.185 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.111 -2.014 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.715 -1.556 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.060 -2.872 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.700 -1.236 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.991 -1.479 -6.256 1.00 0.00 H new ATOM 768 N VAL A 53 1.848 2.181 -2.602 1.00 0.00 N ATOM 769 CA VAL A 53 1.832 3.613 -2.290 1.00 0.00 C ATOM 770 C VAL A 53 3.060 4.023 -1.475 1.00 0.00 C ATOM 771 O VAL A 53 3.660 3.208 -0.773 1.00 0.00 O ATOM 772 CB VAL A 53 0.549 3.930 -1.505 1.00 0.00 C ATOM 773 CG1 VAL A 53 0.650 5.316 -0.861 1.00 0.00 C ATOM 774 CG2 VAL A 53 -0.659 3.881 -2.457 1.00 0.00 C ATOM 0 H VAL A 53 1.701 1.574 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 53 1.856 4.177 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 53 0.420 3.188 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.265 5.528 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.500 5.339 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.787 6.069 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.569 4.106 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.527 4.617 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.737 2.886 -2.895 1.00 0.00 H new ATOM 784 N SER A 54 3.408 5.309 -1.573 1.00 0.00 N ATOM 785 CA SER A 54 4.548 5.865 -0.848 1.00 0.00 C ATOM 786 C SER A 54 4.066 6.620 0.390 1.00 0.00 C ATOM 787 O SER A 54 2.903 7.015 0.473 1.00 0.00 O ATOM 788 CB SER A 54 5.317 6.817 -1.765 1.00 0.00 C ATOM 789 OG SER A 54 4.679 8.087 -1.763 1.00 0.00 O ATOM 0 H SER A 54 2.911 5.986 -2.152 1.00 0.00 H new ATOM 0 HA SER A 54 5.203 5.052 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.348 6.914 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.352 6.416 -2.778 1.00 0.00 H new ATOM 0 HG SER A 54 5.323 8.776 -1.496 1.00 0.00 H new ATOM 795 N THR A 55 4.968 6.813 1.352 1.00 0.00 N ATOM 796 CA THR A 55 4.627 7.522 2.593 1.00 0.00 C ATOM 797 C THR A 55 5.284 8.910 2.641 1.00 0.00 C ATOM 798 O THR A 55 6.485 9.028 2.394 1.00 0.00 O ATOM 799 CB THR A 55 5.102 6.719 3.806 1.00 0.00 C ATOM 800 OG1 THR A 55 4.671 5.371 3.682 1.00 0.00 O ATOM 801 CG2 THR A 55 4.516 7.331 5.079 1.00 0.00 C ATOM 0 H THR A 55 5.935 6.492 1.300 1.00 0.00 H new ATOM 0 HA THR A 55 3.543 7.638 2.616 1.00 0.00 H new ATOM 0 HB THR A 55 6.190 6.745 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.977 4.857 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.853 6.761 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.850 8.364 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.428 7.304 5.028 1.00 0.00 H new ATOM 809 N PRO A 56 4.549 9.957 2.972 1.00 0.00 N ATOM 810 CA PRO A 56 5.126 11.329 3.066 1.00 0.00 C ATOM 811 C PRO A 56 5.887 11.511 4.375 1.00 0.00 C ATOM 812 O PRO A 56 5.367 11.211 5.449 1.00 0.00 O ATOM 813 CB PRO A 56 3.891 12.236 3.023 1.00 0.00 C ATOM 814 CG PRO A 56 2.814 11.424 3.666 1.00 0.00 C ATOM 815 CD PRO A 56 3.105 9.966 3.292 1.00 0.00 C ATOM 0 HA PRO A 56 5.842 11.545 2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.063 13.167 3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.630 12.504 1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.818 11.558 4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.830 11.729 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.875 9.290 4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.506 9.646 2.440 1.00 0.00 H new ATOM 823 N VAL A 57 7.118 12.000 4.283 1.00 0.00 N ATOM 824 CA VAL A 57 7.935 12.212 5.473 1.00 0.00 C ATOM 825 C VAL A 57 8.856 13.410 5.275 1.00 0.00 C ATOM 826 O VAL A 57 9.312 13.678 4.164 1.00 0.00 O ATOM 827 CB VAL A 57 8.758 10.956 5.752 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.518 10.563 4.487 1.00 0.00 C ATOM 829 CG2 VAL A 57 9.748 11.223 6.889 1.00 0.00 C ATOM 0 H VAL A 57 7.570 12.255 3.405 1.00 0.00 H new ATOM 0 HA VAL A 57 7.285 12.415 6.324 1.00 0.00 H new ATOM 0 HB VAL A 57 8.093 10.144 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.107 9.667 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.809 10.365 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.181 11.377 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.331 10.323 7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.417 12.035 6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.201 11.501 7.790 1.00 0.00 H new ATOM 839 N GLY A 58 9.128 14.127 6.358 1.00 0.00 N ATOM 840 CA GLY A 58 9.998 15.295 6.289 1.00 0.00 C ATOM 841 C GLY A 58 9.215 16.526 5.850 1.00 0.00 C ATOM 842 O GLY A 58 9.700 17.332 5.057 1.00 0.00 O ATOM 0 H GLY A 58 8.762 13.923 7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.451 15.475 7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.812 15.107 5.589 1.00 0.00 H new ATOM 846 N TYR A 59 7.999 16.664 6.371 1.00 0.00 N ATOM 847 CA TYR A 59 7.150 17.804 6.026 1.00 0.00 C ATOM 848 C TYR A 59 6.387 18.280 7.255 1.00 0.00 C ATOM 849 O TYR A 59 6.279 17.563 8.250 1.00 0.00 O ATOM 850 CB TYR A 59 6.163 17.413 4.919 1.00 0.00 C ATOM 851 CG TYR A 59 5.131 16.445 5.453 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.496 15.133 5.774 1.00 0.00 C ATOM 853 CD2 TYR A 59 3.803 16.861 5.622 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.536 14.241 6.265 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.843 15.970 6.112 1.00 0.00 C ATOM 856 CZ TYR A 59 3.209 14.658 6.433 1.00 0.00 C ATOM 857 OH TYR A 59 2.264 13.778 6.918 1.00 0.00 O ATOM 0 H TYR A 59 7.580 16.007 7.029 1.00 0.00 H new ATOM 0 HA TYR A 59 7.783 18.614 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.669 18.304 4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.701 16.959 4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.518 14.809 5.643 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.520 17.873 5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.819 13.229 6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.821 16.294 6.242 1.00 0.00 H new ATOM 0 HH TYR A 59 1.468 14.275 7.199 1.00 0.00 H new ATOM 867 N ASP A 60 5.861 19.492 7.178 1.00 0.00 N ATOM 868 CA ASP A 60 5.107 20.055 8.295 1.00 0.00 C ATOM 869 C ASP A 60 3.776 19.333 8.441 1.00 0.00 C ATOM 870 O ASP A 60 2.794 19.677 7.793 1.00 0.00 O ATOM 871 CB ASP A 60 4.864 21.543 8.067 1.00 0.00 C ATOM 872 CG ASP A 60 4.189 21.757 6.717 1.00 0.00 C ATOM 873 OD1 ASP A 60 4.031 20.783 5.998 1.00 0.00 O ATOM 874 OD2 ASP A 60 3.847 22.888 6.416 1.00 0.00 O ATOM 0 H ASP A 60 5.939 20.102 6.364 1.00 0.00 H new ATOM 0 HA ASP A 60 5.686 19.926 9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.238 21.945 8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.810 22.084 8.101 1.00 0.00 H new ATOM 879 N LYS A 61 3.763 18.317 9.292 1.00 0.00 N ATOM 880 CA LYS A 61 2.561 17.528 9.507 1.00 0.00 C ATOM 881 C LYS A 61 1.425 18.379 10.059 1.00 0.00 C ATOM 882 O LYS A 61 0.268 18.189 9.684 1.00 0.00 O ATOM 883 CB LYS A 61 2.849 16.397 10.493 1.00 0.00 C ATOM 884 CG LYS A 61 3.872 15.429 9.899 1.00 0.00 C ATOM 885 CD LYS A 61 4.170 14.319 10.909 1.00 0.00 C ATOM 886 CE LYS A 61 5.178 13.338 10.305 1.00 0.00 C ATOM 887 NZ LYS A 61 5.461 12.248 11.282 1.00 0.00 N ATOM 0 H LYS A 61 4.569 18.021 9.843 1.00 0.00 H new ATOM 0 HA LYS A 61 2.259 17.122 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.227 16.808 11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.927 15.865 10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.488 15.000 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.789 15.962 9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.569 14.747 11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.251 13.796 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.783 12.918 9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.100 13.860 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.146 11.582 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.856 12.657 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.579 11.744 11.505 1.00 0.00 H new ATOM 901 N ASP A 62 1.741 19.295 10.968 1.00 0.00 N ATOM 902 CA ASP A 62 0.719 20.140 11.579 1.00 0.00 C ATOM 903 C ASP A 62 0.076 21.109 10.581 1.00 0.00 C ATOM 904 O ASP A 62 -1.142 21.279 10.570 1.00 0.00 O ATOM 905 CB ASP A 62 1.354 20.939 12.718 1.00 0.00 C ATOM 906 CG ASP A 62 1.687 20.014 13.883 1.00 0.00 C ATOM 907 OD1 ASP A 62 1.271 18.867 13.844 1.00 0.00 O ATOM 908 OD2 ASP A 62 2.357 20.464 14.799 1.00 0.00 O ATOM 0 H ASP A 62 2.690 19.472 11.297 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.071 19.486 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.259 21.433 12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.671 21.722 13.048 1.00 0.00 H new ATOM 913 N ASN A 63 0.902 21.757 9.766 1.00 0.00 N ATOM 914 CA ASN A 63 0.394 22.731 8.795 1.00 0.00 C ATOM 915 C ASN A 63 -0.125 22.047 7.533 1.00 0.00 C ATOM 916 O ASN A 63 -0.994 22.580 6.843 1.00 0.00 O ATOM 917 CB ASN A 63 1.501 23.721 8.420 1.00 0.00 C ATOM 918 CG ASN A 63 1.728 24.713 9.555 1.00 0.00 C ATOM 919 OD1 ASN A 63 0.870 24.876 10.424 1.00 0.00 O ATOM 920 ND2 ASN A 63 2.842 25.391 9.602 1.00 0.00 N ATOM 0 H ASN A 63 1.914 21.631 9.754 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.436 23.262 9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.424 23.182 8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.228 24.255 7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.003 26.056 10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.552 25.256 8.882 1.00 0.00 H new ATOM 927 N CYS A 64 0.409 20.866 7.239 1.00 0.00 N ATOM 928 CA CYS A 64 -0.007 20.107 6.055 1.00 0.00 C ATOM 929 C CYS A 64 -0.496 18.724 6.456 1.00 0.00 C ATOM 930 O CYS A 64 0.089 18.069 7.320 1.00 0.00 O ATOM 931 CB CYS A 64 1.162 19.961 5.080 1.00 0.00 C ATOM 932 SG CYS A 64 1.529 21.553 4.305 1.00 0.00 S ATOM 0 H CYS A 64 1.129 20.411 7.800 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.818 20.651 5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.042 19.594 5.608 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.918 19.223 4.315 1.00 0.00 H new ATOM 937 N GLN A 65 -1.567 18.281 5.805 1.00 0.00 N ATOM 938 CA GLN A 65 -2.143 16.961 6.070 1.00 0.00 C ATOM 939 C GLN A 65 -2.062 16.097 4.816 1.00 0.00 C ATOM 940 O GLN A 65 -2.330 16.564 3.709 1.00 0.00 O ATOM 941 CB GLN A 65 -3.600 17.104 6.501 1.00 0.00 C ATOM 942 CG GLN A 65 -4.322 18.050 5.545 1.00 0.00 C ATOM 943 CD GLN A 65 -5.793 18.158 5.935 1.00 0.00 C ATOM 944 OE1 GLN A 65 -6.139 17.981 7.104 1.00 0.00 O ATOM 945 NE2 GLN A 65 -6.684 18.440 5.025 1.00 0.00 N ATOM 0 H GLN A 65 -2.057 18.816 5.088 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.578 16.485 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.088 16.129 6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.653 17.488 7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.856 19.035 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.234 17.685 4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.396 18.586 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.669 18.514 5.281 1.00 0.00 H new ATOM 954 N ARG A 66 -1.681 14.839 5.000 1.00 0.00 N ATOM 955 CA ARG A 66 -1.553 13.911 3.882 1.00 0.00 C ATOM 956 C ARG A 66 -2.927 13.425 3.414 1.00 0.00 C ATOM 957 O ARG A 66 -3.793 13.107 4.230 1.00 0.00 O ATOM 958 CB ARG A 66 -0.696 12.721 4.316 1.00 0.00 C ATOM 959 CG ARG A 66 -1.392 11.987 5.467 1.00 0.00 C ATOM 960 CD ARG A 66 -0.476 10.890 6.003 1.00 0.00 C ATOM 961 NE ARG A 66 0.684 11.483 6.661 1.00 0.00 N ATOM 962 CZ ARG A 66 1.672 10.726 7.124 1.00 0.00 C ATOM 963 NH1 ARG A 66 1.620 9.430 6.987 1.00 0.00 N ATOM 964 NH2 ARG A 66 2.695 11.280 7.716 1.00 0.00 N ATOM 0 H ARG A 66 -1.456 14.438 5.910 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.077 14.426 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.544 12.043 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.289 13.064 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.639 12.689 6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.331 11.554 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.022 10.262 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.151 10.246 5.186 1.00 0.00 H new ATOM 0 HE ARG A 66 0.737 12.496 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.820 8.998 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.379 8.849 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.735 12.294 7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.454 10.699 8.072 1.00 0.00 H new ATOM 978 N ILE A 67 -3.124 13.390 2.090 1.00 0.00 N ATOM 979 CA ILE A 67 -4.405 12.967 1.506 1.00 0.00 C ATOM 980 C ILE A 67 -4.236 11.702 0.667 1.00 0.00 C ATOM 981 O ILE A 67 -3.309 11.593 -0.138 1.00 0.00 O ATOM 982 CB ILE A 67 -4.954 14.092 0.629 1.00 0.00 C ATOM 983 CG1 ILE A 67 -4.987 15.395 1.440 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.369 13.742 0.166 1.00 0.00 C ATOM 985 CD1 ILE A 67 -5.812 15.221 2.725 1.00 0.00 C ATOM 0 H ILE A 67 -2.415 13.649 1.404 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.100 12.749 2.316 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.313 14.219 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.971 15.696 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.414 16.194 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.757 14.547 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.345 12.816 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.015 13.614 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.820 16.158 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.834 14.944 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.368 14.438 3.339 1.00 0.00 H new ATOM 997 N PHE A 68 -5.134 10.740 0.876 1.00 0.00 N ATOM 998 CA PHE A 68 -5.077 9.467 0.156 1.00 0.00 C ATOM 999 C PHE A 68 -5.861 9.516 -1.158 1.00 0.00 C ATOM 1000 O PHE A 68 -7.078 9.708 -1.162 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.643 8.360 1.052 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.578 7.031 0.333 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.338 6.511 -0.068 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -6.753 6.315 0.071 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.278 5.282 -0.729 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -6.689 5.087 -0.586 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.452 4.568 -0.988 1.00 0.00 C ATOM 0 H PHE A 68 -5.908 10.817 1.536 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.035 9.264 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.077 8.308 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.675 8.589 1.319 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.431 7.061 0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.708 6.714 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.324 4.883 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.595 4.535 -0.785 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.405 3.617 -1.498 1.00 0.00 H new ATOM 1017 N LYS A 69 -5.143 9.322 -2.274 1.00 0.00 N ATOM 1018 CA LYS A 69 -5.752 9.330 -3.618 1.00 0.00 C ATOM 1019 C LYS A 69 -5.504 7.990 -4.328 1.00 0.00 C ATOM 1020 O LYS A 69 -4.392 7.721 -4.781 1.00 0.00 O ATOM 1021 CB LYS A 69 -5.133 10.476 -4.462 1.00 0.00 C ATOM 1022 CG LYS A 69 -6.154 11.598 -4.709 1.00 0.00 C ATOM 1023 CD LYS A 69 -6.444 12.340 -3.404 1.00 0.00 C ATOM 1024 CE LYS A 69 -7.476 13.437 -3.667 1.00 0.00 C ATOM 1025 NZ LYS A 69 -7.838 14.097 -2.383 1.00 0.00 N ATOM 0 H LYS A 69 -4.136 9.157 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.826 9.484 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.262 10.881 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.785 10.081 -5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.768 12.294 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.076 11.179 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.818 11.645 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.527 12.775 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.072 14.171 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.365 13.011 -4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.733 14.614 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.947 13.376 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.087 14.763 -2.111 1.00 0.00 H new ATOM 1039 N LYS A 70 -6.541 7.168 -4.438 1.00 0.00 N ATOM 1040 CA LYS A 70 -6.422 5.876 -5.113 1.00 0.00 C ATOM 1041 C LYS A 70 -6.163 6.046 -6.608 1.00 0.00 C ATOM 1042 O LYS A 70 -5.402 5.285 -7.210 1.00 0.00 O ATOM 1043 CB LYS A 70 -7.723 5.065 -4.911 1.00 0.00 C ATOM 1044 CG LYS A 70 -7.491 3.930 -3.922 1.00 0.00 C ATOM 1045 CD LYS A 70 -8.822 3.253 -3.610 1.00 0.00 C ATOM 1046 CE LYS A 70 -8.573 1.983 -2.795 1.00 0.00 C ATOM 1047 NZ LYS A 70 -8.301 2.346 -1.378 1.00 0.00 N ATOM 0 H LYS A 70 -7.471 7.370 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.574 5.347 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.514 5.719 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.060 4.661 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.791 3.206 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.043 4.316 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.466 3.934 -3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.342 3.007 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.441 1.326 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.728 1.433 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.233 1.481 -0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.405 2.871 -1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.075 2.940 -1.017 1.00 0.00 H new ATOM 1061 N GLU A 71 -6.845 7.006 -7.204 1.00 0.00 N ATOM 1062 CA GLU A 71 -6.736 7.229 -8.635 1.00 0.00 C ATOM 1063 C GLU A 71 -5.288 7.324 -9.080 1.00 0.00 C ATOM 1064 O GLU A 71 -4.965 7.002 -10.225 1.00 0.00 O ATOM 1065 CB GLU A 71 -7.471 8.510 -9.019 1.00 0.00 C ATOM 1066 CG GLU A 71 -7.461 8.663 -10.540 1.00 0.00 C ATOM 1067 CD GLU A 71 -8.275 9.883 -10.947 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -8.605 10.668 -10.075 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -8.556 10.015 -12.128 1.00 0.00 O ATOM 0 H GLU A 71 -7.479 7.643 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.189 6.375 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.497 8.478 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.992 9.371 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.436 8.764 -10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.874 7.768 -11.006 1.00 0.00 H new ATOM 1076 N ASP A 72 -4.415 7.769 -8.182 1.00 0.00 N ATOM 1077 CA ASP A 72 -2.995 7.909 -8.503 1.00 0.00 C ATOM 1078 C ASP A 72 -2.141 7.094 -7.539 1.00 0.00 C ATOM 1079 O ASP A 72 -0.915 7.207 -7.546 1.00 0.00 O ATOM 1080 CB ASP A 72 -2.598 9.379 -8.411 1.00 0.00 C ATOM 1081 CG ASP A 72 -3.233 10.166 -9.552 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -3.692 9.541 -10.494 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -3.257 11.383 -9.464 1.00 0.00 O ATOM 0 H ASP A 72 -4.662 8.038 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.828 7.539 -9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.917 9.791 -7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.513 9.474 -8.453 1.00 0.00 H new ATOM 1088 N CYS A 73 -2.791 6.261 -6.721 1.00 0.00 N ATOM 1089 CA CYS A 73 -2.074 5.421 -5.760 1.00 0.00 C ATOM 1090 C CYS A 73 -0.878 6.162 -5.173 1.00 0.00 C ATOM 1091 O CYS A 73 0.269 5.758 -5.364 1.00 0.00 O ATOM 1092 CB CYS A 73 -1.605 4.141 -6.455 1.00 0.00 C ATOM 1093 SG CYS A 73 -3.003 3.008 -6.635 1.00 0.00 S ATOM 0 H CYS A 73 -3.805 6.151 -6.705 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.751 5.170 -4.943 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.186 4.378 -7.433 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.812 3.669 -5.875 1.00 0.00 H new ATOM 1098 N LYS A 74 -1.152 7.250 -4.458 1.00 0.00 N ATOM 1099 CA LYS A 74 -0.089 8.032 -3.850 1.00 0.00 C ATOM 1100 C LYS A 74 -0.633 8.947 -2.761 1.00 0.00 C ATOM 1101 O LYS A 74 -1.818 9.279 -2.742 1.00 0.00 O ATOM 1102 CB LYS A 74 0.624 8.878 -4.915 1.00 0.00 C ATOM 1103 CG LYS A 74 -0.347 9.894 -5.541 1.00 0.00 C ATOM 1104 CD LYS A 74 0.403 10.706 -6.607 1.00 0.00 C ATOM 1105 CE LYS A 74 -0.449 11.894 -7.067 1.00 0.00 C ATOM 1106 NZ LYS A 74 0.288 12.650 -8.122 1.00 0.00 N ATOM 0 H LYS A 74 -2.093 7.605 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 74 0.619 7.336 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.467 9.402 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.029 8.229 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.196 9.378 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.746 10.557 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.350 11.064 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.641 10.069 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.405 11.542 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.670 12.547 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.287 13.457 -8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.189 12.997 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.477 12.023 -8.930 1.00 0.00 H new ATOM 1120 N TYR A 75 0.260 9.375 -1.871 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.101 10.289 -0.787 1.00 0.00 C ATOM 1122 C TYR A 75 0.435 11.672 -1.113 1.00 0.00 C ATOM 1123 O TYR A 75 1.609 11.829 -1.443 1.00 0.00 O ATOM 1124 CB TYR A 75 0.497 9.802 0.556 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.534 9.026 1.347 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.624 9.701 1.910 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.399 7.644 1.524 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.578 8.995 2.650 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.354 6.939 2.265 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.443 7.614 2.827 1.00 0.00 C ATOM 1131 OH TYR A 75 -3.384 6.917 3.556 1.00 0.00 O ATOM 0 H TYR A 75 1.243 9.103 -1.879 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.186 10.320 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.367 9.173 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.842 10.657 1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.728 10.767 1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.441 7.123 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.418 9.516 3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.250 5.873 2.403 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.141 5.968 3.581 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.429 12.675 -1.009 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.039 14.052 -1.282 1.00 0.00 C ATOM 1143 C ILE A 76 -0.334 14.906 -0.063 1.00 0.00 C ATOM 1144 O ILE A 76 -1.379 14.765 0.565 1.00 0.00 O ATOM 1145 CB ILE A 76 -0.804 14.579 -2.502 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.312 14.544 -2.227 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -0.489 13.706 -3.720 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.067 15.010 -3.473 1.00 0.00 C ATOM 0 H ILE A 76 -1.405 12.560 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 76 1.028 14.095 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.498 15.606 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.620 13.534 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.553 15.187 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.033 14.081 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.582 13.736 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.791 12.678 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.139 14.986 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.766 16.028 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.834 14.349 -4.308 1.00 0.00 H new ATOM 1160 N VAL A 77 0.597 15.788 0.273 1.00 0.00 N ATOM 1161 CA VAL A 77 0.436 16.663 1.428 1.00 0.00 C ATOM 1162 C VAL A 77 0.262 18.098 0.961 1.00 0.00 C ATOM 1163 O VAL A 77 1.076 18.624 0.203 1.00 0.00 O ATOM 1164 CB VAL A 77 1.667 16.552 2.339 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.569 15.292 3.207 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.928 16.465 1.480 1.00 0.00 C ATOM 0 H VAL A 77 1.471 15.917 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.448 16.361 1.989 1.00 0.00 H new ATOM 0 HB VAL A 77 1.711 17.431 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.447 15.223 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.672 15.344 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.518 14.412 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.803 16.386 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.871 15.586 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.011 17.360 0.864 1.00 0.00 H new ATOM 1176 N VAL A 78 -0.812 18.729 1.424 1.00 0.00 N ATOM 1177 CA VAL A 78 -1.107 20.114 1.058 1.00 0.00 C ATOM 1178 C VAL A 78 -1.432 20.927 2.304 1.00 0.00 C ATOM 1179 O VAL A 78 -1.846 20.379 3.325 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.308 20.165 0.098 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -1.996 19.422 -1.231 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.523 19.526 0.788 1.00 0.00 C ATOM 0 H VAL A 78 -1.494 18.305 2.053 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.230 20.535 0.566 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.522 21.205 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.863 19.475 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.141 19.891 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.765 18.378 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.381 19.557 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.296 18.490 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.756 20.077 1.699 1.00 0.00 H new ATOM 1192 N GLU A 79 -1.251 22.240 2.212 1.00 0.00 N ATOM 1193 CA GLU A 79 -1.539 23.114 3.340 1.00 0.00 C ATOM 1194 C GLU A 79 -2.994 22.956 3.758 1.00 0.00 C ATOM 1195 O GLU A 79 -3.864 22.717 2.918 1.00 0.00 O ATOM 1196 CB GLU A 79 -1.264 24.570 2.953 1.00 0.00 C ATOM 1197 CG GLU A 79 0.217 24.736 2.603 1.00 0.00 C ATOM 1198 CD GLU A 79 1.078 24.579 3.853 1.00 0.00 C ATOM 1199 OE1 GLU A 79 0.513 24.527 4.935 1.00 0.00 O ATOM 1200 OE2 GLU A 79 2.286 24.510 3.711 1.00 0.00 O ATOM 0 H GLU A 79 -0.910 22.717 1.377 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.896 22.840 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.883 24.854 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.530 25.233 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.507 23.995 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.385 25.717 2.159 1.00 0.00 H new ATOM 1207 N LYS A 80 -3.264 23.111 5.048 1.00 0.00 N ATOM 1208 CA LYS A 80 -4.624 23.011 5.550 1.00 0.00 C ATOM 1209 C LYS A 80 -5.429 24.243 5.139 1.00 0.00 C ATOM 1210 O LYS A 80 -6.613 24.150 4.816 1.00 0.00 O ATOM 1211 CB LYS A 80 -4.578 22.880 7.069 1.00 0.00 C ATOM 1212 CG LYS A 80 -3.996 21.512 7.430 1.00 0.00 C ATOM 1213 CD LYS A 80 -3.798 21.433 8.938 1.00 0.00 C ATOM 1214 CE LYS A 80 -3.315 20.032 9.329 1.00 0.00 C ATOM 1215 NZ LYS A 80 -3.170 19.950 10.812 1.00 0.00 N ATOM 0 H LYS A 80 -2.561 23.306 5.761 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.112 22.134 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.967 23.675 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.579 22.986 7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.666 20.719 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.045 21.362 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.071 22.180 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.734 21.660 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.024 19.281 8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.361 19.817 8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.212 18.955 11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.256 20.358 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.941 20.480 11.266 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.766 25.400 5.159 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.410 26.657 4.793 1.00 0.00 C ATOM 1231 C LYS A 81 -5.869 26.622 3.338 1.00 0.00 C ATOM 1232 O LYS A 81 -6.961 27.089 3.012 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.435 27.824 4.987 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.151 28.015 6.479 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.177 29.181 6.669 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.895 29.375 8.162 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.942 30.505 8.346 1.00 0.00 N ATOM 0 H LYS A 81 -3.785 25.490 5.425 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.278 26.795 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.506 27.627 4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.857 28.737 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.080 28.212 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.729 27.102 6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.247 28.982 6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.599 30.093 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.824 29.579 8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.478 28.461 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.751 30.636 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.052 30.293 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.356 31.376 7.956 1.00 0.00 H new ATOM 1251 N ASP A 82 -5.029 26.065 2.464 1.00 0.00 N ATOM 1252 CA ASP A 82 -5.349 25.969 1.042 1.00 0.00 C ATOM 1253 C ASP A 82 -4.904 24.599 0.499 1.00 0.00 C ATOM 1254 O ASP A 82 -3.706 24.361 0.344 1.00 0.00 O ATOM 1255 CB ASP A 82 -4.631 27.081 0.275 1.00 0.00 C ATOM 1256 CG ASP A 82 -3.171 27.161 0.703 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -2.930 27.430 1.868 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -2.315 26.953 -0.141 1.00 0.00 O ATOM 0 H ASP A 82 -4.122 25.674 2.718 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.426 26.076 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.693 26.891 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.124 28.036 0.459 1.00 0.00 H new ATOM 1263 N PRO A 83 -5.820 23.688 0.227 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.467 22.326 -0.278 1.00 0.00 C ATOM 1265 C PRO A 83 -5.044 22.328 -1.748 1.00 0.00 C ATOM 1266 O PRO A 83 -4.590 21.311 -2.270 1.00 0.00 O ATOM 1267 CB PRO A 83 -6.753 21.513 -0.062 1.00 0.00 C ATOM 1268 CG PRO A 83 -7.863 22.513 -0.121 1.00 0.00 C ATOM 1269 CD PRO A 83 -7.281 23.845 0.370 1.00 0.00 C ATOM 0 HA PRO A 83 -4.605 21.911 0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.870 20.749 -0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.737 20.999 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.245 22.608 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.699 22.201 0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.650 24.682 -0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.559 24.042 1.405 1.00 0.00 H new ATOM 1277 N LYS A 84 -5.186 23.470 -2.408 1.00 0.00 N ATOM 1278 CA LYS A 84 -4.805 23.578 -3.812 1.00 0.00 C ATOM 1279 C LYS A 84 -3.293 23.470 -3.969 1.00 0.00 C ATOM 1280 O LYS A 84 -2.797 22.813 -4.883 1.00 0.00 O ATOM 1281 CB LYS A 84 -5.286 24.915 -4.381 1.00 0.00 C ATOM 1282 CG LYS A 84 -6.809 25.035 -4.227 1.00 0.00 C ATOM 1283 CD LYS A 84 -7.518 23.988 -5.095 1.00 0.00 C ATOM 1284 CE LYS A 84 -8.982 24.384 -5.287 1.00 0.00 C ATOM 1285 NZ LYS A 84 -9.672 23.335 -6.088 1.00 0.00 N ATOM 0 H LYS A 84 -5.558 24.327 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.273 22.760 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.794 25.738 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.012 24.991 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.087 24.899 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.132 26.035 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.023 23.908 -6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.455 23.007 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.470 24.499 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.047 25.347 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.669 23.600 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.210 23.247 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.620 22.425 -5.587 1.00 0.00 H new ATOM 1299 N LYS A 85 -2.567 24.133 -3.075 1.00 0.00 N ATOM 1300 CA LYS A 85 -1.108 24.127 -3.117 1.00 0.00 C ATOM 1301 C LYS A 85 -0.539 22.905 -2.404 1.00 0.00 C ATOM 1302 O LYS A 85 -1.018 22.521 -1.338 1.00 0.00 O ATOM 1303 CB LYS A 85 -0.567 25.400 -2.454 1.00 0.00 C ATOM 1304 CG LYS A 85 0.879 25.661 -2.915 1.00 0.00 C ATOM 1305 CD LYS A 85 0.877 26.502 -4.193 1.00 0.00 C ATOM 1306 CE LYS A 85 2.316 26.777 -4.624 1.00 0.00 C ATOM 1307 NZ LYS A 85 2.310 27.580 -5.879 1.00 0.00 N ATOM 0 H LYS A 85 -2.964 24.681 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.800 24.090 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.198 26.250 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.598 25.296 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.432 26.178 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.389 24.714 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.343 25.978 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.351 27.442 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.847 27.314 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.846 25.838 -4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.289 27.769 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.818 27.051 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.819 28.481 -5.712 1.00 0.00 H new ATOM 1321 N THR A 86 0.489 22.302 -2.993 1.00 0.00 N ATOM 1322 CA THR A 86 1.120 21.129 -2.399 1.00 0.00 C ATOM 1323 C THR A 86 2.076 21.534 -1.281 1.00 0.00 C ATOM 1324 O THR A 86 2.436 22.705 -1.151 1.00 0.00 O ATOM 1325 CB THR A 86 1.886 20.356 -3.476 1.00 0.00 C ATOM 1326 OG1 THR A 86 2.733 21.251 -4.183 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.893 19.720 -4.450 1.00 0.00 C ATOM 0 H THR A 86 0.901 22.604 -3.876 1.00 0.00 H new ATOM 0 HA THR A 86 0.341 20.495 -1.975 1.00 0.00 H new ATOM 0 HB THR A 86 2.486 19.576 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.226 20.759 -4.872 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.438 19.169 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.239 19.037 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.294 20.500 -4.920 1.00 0.00 H new ATOM 1335 N CYS A 87 2.489 20.553 -0.473 1.00 0.00 N ATOM 1336 CA CYS A 87 3.410 20.798 0.642 1.00 0.00 C ATOM 1337 C CYS A 87 4.782 20.186 0.344 1.00 0.00 C ATOM 1338 O CYS A 87 4.873 19.094 -0.217 1.00 0.00 O ATOM 1339 CB CYS A 87 2.827 20.194 1.934 1.00 0.00 C ATOM 1340 SG CYS A 87 3.282 21.224 3.355 1.00 0.00 S ATOM 0 H CYS A 87 2.200 19.580 -0.570 1.00 0.00 H new ATOM 0 HA CYS A 87 3.534 21.873 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.742 20.125 1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.202 19.180 2.074 1.00 0.00 H new ATOM 1345 N SER A 88 5.845 20.895 0.719 1.00 0.00 N ATOM 1346 CA SER A 88 7.201 20.404 0.479 1.00 0.00 C ATOM 1347 C SER A 88 7.490 19.171 1.331 1.00 0.00 C ATOM 1348 O SER A 88 7.066 19.086 2.484 1.00 0.00 O ATOM 1349 CB SER A 88 8.220 21.496 0.804 1.00 0.00 C ATOM 1350 OG SER A 88 7.825 22.710 0.177 1.00 0.00 O ATOM 0 H SER A 88 5.796 21.801 1.185 1.00 0.00 H new ATOM 0 HA SER A 88 7.281 20.131 -0.573 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.288 21.636 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.210 21.200 0.458 1.00 0.00 H new ATOM 0 HG SER A 88 8.476 23.413 0.385 1.00 0.00 H new ATOM 1356 N VAL A 89 8.219 18.216 0.750 1.00 0.00 N ATOM 1357 CA VAL A 89 8.572 16.976 1.450 1.00 0.00 C ATOM 1358 C VAL A 89 10.053 16.655 1.255 1.00 0.00 C ATOM 1359 O VAL A 89 10.578 16.766 0.147 1.00 0.00 O ATOM 1360 CB VAL A 89 7.712 15.826 0.913 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.734 14.650 1.896 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.273 16.322 0.734 1.00 0.00 C ATOM 0 H VAL A 89 8.577 18.276 -0.203 1.00 0.00 H new ATOM 0 HA VAL A 89 8.385 17.104 2.516 1.00 0.00 H new ATOM 0 HB VAL A 89 8.110 15.490 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.120 13.838 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.759 14.301 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.339 14.973 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.653 15.511 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.881 16.657 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.259 17.152 0.028 1.00 0.00 H new ATOM 1372 N SER A 90 10.720 16.253 2.334 1.00 0.00 N ATOM 1373 CA SER A 90 12.140 15.916 2.261 1.00 0.00 C ATOM 1374 C SER A 90 12.358 14.661 1.423 1.00 0.00 C ATOM 1375 O SER A 90 13.307 14.582 0.643 1.00 0.00 O ATOM 1376 CB SER A 90 12.696 15.678 3.668 1.00 0.00 C ATOM 1377 OG SER A 90 14.114 15.779 3.634 1.00 0.00 O ATOM 0 H SER A 90 10.306 16.153 3.261 1.00 0.00 H new ATOM 0 HA SER A 90 12.660 16.752 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.284 16.409 4.363 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.398 14.693 4.028 1.00 0.00 H new ATOM 0 HG SER A 90 14.474 15.629 4.533 1.00 0.00 H new ATOM 1383 N GLU A 91 11.477 13.679 1.601 1.00 0.00 N ATOM 1384 CA GLU A 91 11.597 12.428 0.863 1.00 0.00 C ATOM 1385 C GLU A 91 10.370 11.539 1.060 1.00 0.00 C ATOM 1386 O GLU A 91 9.535 11.797 1.925 1.00 0.00 O ATOM 1387 CB GLU A 91 12.854 11.686 1.327 1.00 0.00 C ATOM 1388 CG GLU A 91 12.679 11.212 2.772 1.00 0.00 C ATOM 1389 CD GLU A 91 13.995 10.646 3.297 1.00 0.00 C ATOM 1390 OE1 GLU A 91 14.718 10.058 2.510 1.00 0.00 O ATOM 1391 OE2 GLU A 91 14.258 10.806 4.476 1.00 0.00 O ATOM 0 H GLU A 91 10.684 13.725 2.241 1.00 0.00 H new ATOM 0 HA GLU A 91 11.670 12.663 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.043 10.832 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.721 12.342 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.354 12.042 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.900 10.451 2.822 1.00 0.00 H new ATOM 1398 N TRP A 92 10.285 10.483 0.249 1.00 0.00 N ATOM 1399 CA TRP A 92 9.173 9.528 0.322 1.00 0.00 C ATOM 1400 C TRP A 92 9.718 8.116 0.538 1.00 0.00 C ATOM 1401 O TRP A 92 10.806 7.787 0.064 1.00 0.00 O ATOM 1402 CB TRP A 92 8.374 9.565 -0.985 1.00 0.00 C ATOM 1403 CG TRP A 92 7.806 10.932 -1.187 1.00 0.00 C ATOM 1404 CD1 TRP A 92 8.490 11.999 -1.659 1.00 0.00 C ATOM 1405 CD2 TRP A 92 6.449 11.392 -0.943 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.639 13.088 -1.711 1.00 0.00 N ATOM 1407 CE2 TRP A 92 6.368 12.763 -1.281 1.00 0.00 C ATOM 1408 CE3 TRP A 92 5.292 10.757 -0.461 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 5.180 13.478 -1.147 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 4.094 11.472 -0.325 1.00 0.00 C ATOM 1411 CH2 TRP A 92 4.038 12.832 -0.667 1.00 0.00 C ATOM 0 H TRP A 92 10.975 10.265 -0.470 1.00 0.00 H new ATOM 0 HA TRP A 92 8.525 9.800 1.155 1.00 0.00 H new ATOM 0 HB2 TRP A 92 9.017 9.300 -1.824 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.572 8.828 -0.953 1.00 0.00 H new ATOM 0 HD1 TRP A 92 9.531 12.000 -1.948 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.916 14.017 -2.028 1.00 0.00 H new ATOM 0 HE3 TRP A 92 5.326 9.711 -0.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 5.142 14.524 -1.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.210 10.974 0.045 1.00 0.00 H new ATOM 0 HH2 TRP A 92 3.113 13.379 -0.559 1.00 0.00 H new ATOM 1422 N ILE A 93 8.959 7.283 1.250 1.00 0.00 N ATOM 1423 CA ILE A 93 9.381 5.900 1.517 1.00 0.00 C ATOM 1424 C ILE A 93 8.638 4.930 0.603 1.00 0.00 C ATOM 1425 O ILE A 93 7.408 4.915 0.566 1.00 0.00 O ATOM 1426 CB ILE A 93 9.094 5.535 2.975 1.00 0.00 C ATOM 1427 CG1 ILE A 93 9.826 6.508 3.901 1.00 0.00 C ATOM 1428 CG2 ILE A 93 9.576 4.108 3.251 1.00 0.00 C ATOM 1429 CD1 ILE A 93 9.355 6.294 5.341 1.00 0.00 C ATOM 0 H ILE A 93 8.056 7.535 1.651 1.00 0.00 H new ATOM 0 HA ILE A 93 10.451 5.826 1.325 1.00 0.00 H new ATOM 0 HB ILE A 93 8.021 5.598 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.903 6.352 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.633 7.535 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.371 3.849 4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.052 3.414 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.648 4.044 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.876 6.987 6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.281 6.472 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.571 5.270 5.646 1.00 0.00 H new ATOM 1441 N ILE A 94 9.396 4.125 -0.132 1.00 0.00 N ATOM 1442 CA ILE A 94 8.798 3.155 -1.047 1.00 0.00 C ATOM 1443 C ILE A 94 9.842 2.136 -1.499 1.00 0.00 C ATOM 1444 O ILE A 94 11.014 2.473 -1.491 1.00 0.00 O ATOM 1445 CB ILE A 94 8.218 3.884 -2.262 1.00 0.00 C ATOM 1446 CG1 ILE A 94 7.480 2.893 -3.177 1.00 0.00 C ATOM 1447 CG2 ILE A 94 9.353 4.547 -3.045 1.00 0.00 C ATOM 1448 CD1 ILE A 94 6.281 2.273 -2.444 1.00 0.00 C ATOM 1449 OXT ILE A 94 9.451 1.032 -1.842 1.00 0.00 O ATOM 0 H ILE A 94 10.416 4.122 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 94 7.999 2.626 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 94 7.513 4.640 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.138 3.405 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.164 2.107 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.943 5.067 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.869 5.262 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.058 3.786 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.771 1.574 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.631 1.743 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.590 3.061 -2.146 1.00 0.00 H new