USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 857 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 36:sc= 1.08 USER MOD Single : A -6 GLY N :NH3+ -114:sc= 0.076 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0479 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 88:sc= -1.87! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.84! C(o=-3.8!,f=-6.2!) USER MOD Single : A 29 ASN : amide:sc= 0.742 K(o=0.74,f=-0.00048) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -48:sc= -2.36 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -8.59! C(o=-8.6!,f=-9.1!) USER MOD Single : A 44 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.013) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 170:sc= 0.281 USER MOD Single : A 53 GLN : amide:sc= 0.711 K(o=0.71,f=-1.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 36:sc= 0.23 USER MOD Single : A 78 MET CE :methyl -172:sc= -1.09 (180deg=-1.11) USER MOD Single : A 80 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.022) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 39:sc= -0.0299 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -3.7 F(o=-4.8!,f=-3.7) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -115:sc= -1.95 (180deg=-3.47!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-2.5!) USER MOD Single : A 100 SER OG : rot -79:sc= -0.128 USER MOD Single : A 103 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.02) USER MOD Single : A 104 SER OG : rot 120:sc= -0.366 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 14:sc= 0.461 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 12.900 5.579 -19.439 1.00 0.00 N ATOM 2 CA GLY A -6 12.421 6.662 -20.278 1.00 0.00 C ATOM 3 C GLY A -6 12.268 7.963 -19.514 1.00 0.00 C ATOM 4 O GLY A -6 12.298 7.975 -18.284 1.00 0.00 O ATOM 0 H1 GLY A -6 13.849 5.291 -19.752 1.00 0.00 H new ATOM 0 H2 GLY A -6 12.944 5.899 -18.451 1.00 0.00 H new ATOM 0 H3 GLY A -6 12.251 4.770 -19.512 1.00 0.00 H new ATOM 0 HA2 GLY A -6 13.114 6.810 -21.106 1.00 0.00 H new ATOM 0 HA3 GLY A -6 11.461 6.384 -20.712 1.00 0.00 H new ATOM 8 N SER A -5 12.105 9.061 -20.245 1.00 0.00 N ATOM 9 CA SER A -5 11.953 10.374 -19.629 1.00 0.00 C ATOM 10 C SER A -5 10.533 10.567 -19.107 1.00 0.00 C ATOM 11 O SER A -5 9.601 10.793 -19.879 1.00 0.00 O ATOM 12 CB SER A -5 12.293 11.475 -20.635 1.00 0.00 C ATOM 13 OG SER A -5 11.349 11.510 -21.692 1.00 0.00 O ATOM 0 H SER A -5 12.075 9.067 -21.265 1.00 0.00 H new ATOM 0 HA SER A -5 12.643 10.436 -18.787 1.00 0.00 H new ATOM 0 HB2 SER A -5 12.313 12.440 -20.129 1.00 0.00 H new ATOM 0 HB3 SER A -5 13.291 11.306 -21.040 1.00 0.00 H new ATOM 0 HG SER A -5 10.459 11.296 -21.343 1.00 0.00 H new ATOM 19 N SER A -4 10.376 10.477 -17.790 1.00 0.00 N ATOM 20 CA SER A -4 9.069 10.638 -17.163 1.00 0.00 C ATOM 21 C SER A -4 8.788 12.108 -16.864 1.00 0.00 C ATOM 22 O SER A -4 7.718 12.624 -17.183 1.00 0.00 O ATOM 23 CB SER A -4 8.995 9.820 -15.872 1.00 0.00 C ATOM 24 OG SER A -4 8.826 8.441 -16.152 1.00 0.00 O ATOM 0 H SER A -4 11.137 10.293 -17.137 1.00 0.00 H new ATOM 0 HA SER A -4 8.312 10.275 -17.858 1.00 0.00 H new ATOM 0 HB2 SER A -4 9.906 9.968 -15.291 1.00 0.00 H new ATOM 0 HB3 SER A -4 8.166 10.175 -15.260 1.00 0.00 H new ATOM 0 HG SER A -4 8.783 7.939 -15.311 1.00 0.00 H new ATOM 30 N GLY A -3 9.758 12.776 -16.248 1.00 0.00 N ATOM 31 CA GLY A -3 9.596 14.179 -15.915 1.00 0.00 C ATOM 32 C GLY A -3 9.906 14.469 -14.460 1.00 0.00 C ATOM 33 O GLY A -3 10.622 15.422 -14.148 1.00 0.00 O ATOM 0 H GLY A -3 10.653 12.371 -15.974 1.00 0.00 H new ATOM 0 HA2 GLY A -3 10.250 14.778 -16.549 1.00 0.00 H new ATOM 0 HA3 GLY A -3 8.573 14.485 -16.133 1.00 0.00 H new ATOM 37 N SER A -2 9.366 13.648 -13.566 1.00 0.00 N ATOM 38 CA SER A -2 9.584 13.824 -12.135 1.00 0.00 C ATOM 39 C SER A -2 11.039 13.544 -11.768 1.00 0.00 C ATOM 40 O SER A -2 11.422 12.398 -11.536 1.00 0.00 O ATOM 41 CB SER A -2 8.659 12.902 -11.339 1.00 0.00 C ATOM 42 OG SER A -2 7.311 13.327 -11.432 1.00 0.00 O ATOM 0 H SER A -2 8.774 12.853 -13.807 1.00 0.00 H new ATOM 0 HA SER A -2 9.357 14.860 -11.883 1.00 0.00 H new ATOM 0 HB2 SER A -2 8.748 11.882 -11.712 1.00 0.00 H new ATOM 0 HB3 SER A -2 8.967 12.887 -10.294 1.00 0.00 H new ATOM 0 HG SER A -2 6.740 12.720 -10.916 1.00 0.00 H new ATOM 48 N SER A -1 11.844 14.601 -11.720 1.00 0.00 N ATOM 49 CA SER A -1 13.257 14.470 -11.386 1.00 0.00 C ATOM 50 C SER A -1 13.434 14.022 -9.938 1.00 0.00 C ATOM 51 O SER A -1 12.775 14.532 -9.034 1.00 0.00 O ATOM 52 CB SER A -1 13.982 15.798 -11.613 1.00 0.00 C ATOM 53 OG SER A -1 14.094 16.088 -12.996 1.00 0.00 O ATOM 0 H SER A -1 11.542 15.557 -11.908 1.00 0.00 H new ATOM 0 HA SER A -1 13.690 13.712 -12.038 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.441 16.601 -11.112 1.00 0.00 H new ATOM 0 HB3 SER A -1 14.975 15.755 -11.166 1.00 0.00 H new ATOM 0 HG SER A -1 14.559 16.942 -13.114 1.00 0.00 H new ATOM 59 N GLY A 0 14.331 13.063 -9.727 1.00 0.00 N ATOM 60 CA GLY A 0 14.580 12.562 -8.389 1.00 0.00 C ATOM 61 C GLY A 0 15.749 13.255 -7.718 1.00 0.00 C ATOM 62 O GLY A 0 16.248 14.265 -8.213 1.00 0.00 O ATOM 0 H GLY A 0 14.889 12.625 -10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.685 12.696 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 0 14.775 11.491 -8.436 1.00 0.00 H new ATOM 66 N MET A 1 16.187 12.712 -6.586 1.00 0.00 N ATOM 67 CA MET A 1 17.305 13.285 -5.846 1.00 0.00 C ATOM 68 C MET A 1 17.307 14.807 -5.957 1.00 0.00 C ATOM 69 O MET A 1 18.360 15.426 -6.102 1.00 0.00 O ATOM 70 CB MET A 1 18.630 12.722 -6.365 1.00 0.00 C ATOM 71 CG MET A 1 18.980 13.188 -7.769 1.00 0.00 C ATOM 72 SD MET A 1 20.333 12.244 -8.497 1.00 0.00 S ATOM 73 CE MET A 1 19.847 12.230 -10.221 1.00 0.00 C ATOM 0 H MET A 1 15.785 11.876 -6.162 1.00 0.00 H new ATOM 0 HA MET A 1 17.190 13.015 -4.796 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.430 13.013 -5.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.582 11.633 -6.354 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.099 13.104 -8.406 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.252 14.243 -7.740 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.587 11.681 -10.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.875 11.747 -10.321 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.783 13.254 -10.589 1.00 0.00 H new ATOM 83 N MET A 2 16.121 15.402 -5.889 1.00 0.00 N ATOM 84 CA MET A 2 15.988 16.851 -5.981 1.00 0.00 C ATOM 85 C MET A 2 16.975 17.549 -5.050 1.00 0.00 C ATOM 86 O MET A 2 17.808 18.340 -5.493 1.00 0.00 O ATOM 87 CB MET A 2 14.558 17.276 -5.638 1.00 0.00 C ATOM 88 CG MET A 2 14.130 18.569 -6.313 1.00 0.00 C ATOM 89 SD MET A 2 14.959 20.017 -5.629 1.00 0.00 S ATOM 90 CE MET A 2 15.391 20.899 -7.127 1.00 0.00 C ATOM 0 H MET A 2 15.239 14.904 -5.771 1.00 0.00 H new ATOM 0 HA MET A 2 16.212 17.147 -7.006 1.00 0.00 H new ATOM 0 HB2 MET A 2 13.872 16.480 -5.928 1.00 0.00 H new ATOM 0 HB3 MET A 2 14.472 17.394 -4.558 1.00 0.00 H new ATOM 0 HG2 MET A 2 14.342 18.504 -7.380 1.00 0.00 H new ATOM 0 HG3 MET A 2 13.052 18.689 -6.208 1.00 0.00 H new ATOM 0 HE1 MET A 2 15.912 21.821 -6.869 1.00 0.00 H new ATOM 0 HE2 MET A 2 16.040 20.275 -7.742 1.00 0.00 H new ATOM 0 HE3 MET A 2 14.484 21.138 -7.683 1.00 0.00 H new ATOM 100 N LEU A 3 16.875 17.250 -3.759 1.00 0.00 N ATOM 101 CA LEU A 3 17.760 17.849 -2.766 1.00 0.00 C ATOM 102 C LEU A 3 19.040 17.034 -2.615 1.00 0.00 C ATOM 103 O LEU A 3 19.036 15.956 -2.022 1.00 0.00 O ATOM 104 CB LEU A 3 17.047 17.954 -1.416 1.00 0.00 C ATOM 105 CG LEU A 3 16.280 19.252 -1.161 1.00 0.00 C ATOM 106 CD1 LEU A 3 17.245 20.411 -0.963 1.00 0.00 C ATOM 107 CD2 LEU A 3 15.324 19.541 -2.309 1.00 0.00 C ATOM 0 H LEU A 3 16.191 16.597 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 3 18.026 18.849 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.350 17.121 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 3 17.788 17.832 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 3 15.695 19.133 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.682 21.327 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.889 20.206 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.857 20.532 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.787 20.468 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.888 19.640 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.611 18.722 -2.404 1.00 0.00 H new ATOM 119 N GLY A 4 20.137 17.558 -3.154 1.00 0.00 N ATOM 120 CA GLY A 4 21.410 16.867 -3.067 1.00 0.00 C ATOM 121 C GLY A 4 21.423 15.575 -3.860 1.00 0.00 C ATOM 122 O GLY A 4 20.396 14.919 -4.036 1.00 0.00 O ATOM 0 H GLY A 4 20.166 18.449 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.201 17.522 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.632 16.651 -2.022 1.00 0.00 H new ATOM 126 N PRO A 5 22.610 15.193 -4.355 1.00 0.00 N ATOM 127 CA PRO A 5 22.781 13.968 -5.143 1.00 0.00 C ATOM 128 C PRO A 5 22.617 12.709 -4.300 1.00 0.00 C ATOM 129 O PRO A 5 22.750 11.593 -4.802 1.00 0.00 O ATOM 130 CB PRO A 5 24.216 14.080 -5.664 1.00 0.00 C ATOM 131 CG PRO A 5 24.911 14.953 -4.678 1.00 0.00 C ATOM 132 CD PRO A 5 23.875 15.926 -4.184 1.00 0.00 C ATOM 0 HA PRO A 5 22.032 13.882 -5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.691 13.101 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 5 24.241 14.514 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.318 14.365 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.748 15.476 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.044 16.198 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.885 16.851 -4.761 1.00 0.00 H new ATOM 140 N GLU A 6 22.327 12.895 -3.016 1.00 0.00 N ATOM 141 CA GLU A 6 22.146 11.772 -2.103 1.00 0.00 C ATOM 142 C GLU A 6 21.044 10.840 -2.600 1.00 0.00 C ATOM 143 O GLU A 6 21.209 9.621 -2.618 1.00 0.00 O ATOM 144 CB GLU A 6 21.807 12.277 -0.699 1.00 0.00 C ATOM 145 CG GLU A 6 22.941 13.044 -0.038 1.00 0.00 C ATOM 146 CD GLU A 6 22.464 13.919 1.105 1.00 0.00 C ATOM 147 OE1 GLU A 6 21.611 14.798 0.863 1.00 0.00 O ATOM 148 OE2 GLU A 6 22.944 13.724 2.241 1.00 0.00 O ATOM 0 H GLU A 6 22.212 13.812 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 6 23.081 11.213 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 6 20.929 12.920 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 6 21.540 11.427 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 6 23.683 12.338 0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 6 23.438 13.665 -0.783 1.00 0.00 H new ATOM 155 N GLY A 7 19.919 11.425 -3.001 1.00 0.00 N ATOM 156 CA GLY A 7 18.806 10.633 -3.492 1.00 0.00 C ATOM 157 C GLY A 7 17.689 10.510 -2.475 1.00 0.00 C ATOM 158 O GLY A 7 17.483 9.445 -1.894 1.00 0.00 O ATOM 0 H GLY A 7 19.759 12.432 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.415 11.086 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.162 9.638 -3.758 1.00 0.00 H new ATOM 162 N GLY A 8 16.966 11.604 -2.256 1.00 0.00 N ATOM 163 CA GLY A 8 15.875 11.594 -1.300 1.00 0.00 C ATOM 164 C GLY A 8 15.009 10.355 -1.423 1.00 0.00 C ATOM 165 O GLY A 8 14.590 9.782 -0.418 1.00 0.00 O ATOM 0 H GLY A 8 17.117 12.498 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.280 11.652 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.259 12.481 -1.447 1.00 0.00 H new ATOM 169 N GLU A 9 14.740 9.943 -2.657 1.00 0.00 N ATOM 170 CA GLU A 9 13.916 8.766 -2.906 1.00 0.00 C ATOM 171 C GLU A 9 14.562 7.515 -2.319 1.00 0.00 C ATOM 172 O GLU A 9 15.711 7.545 -1.879 1.00 0.00 O ATOM 173 CB GLU A 9 13.693 8.580 -4.409 1.00 0.00 C ATOM 174 CG GLU A 9 14.977 8.367 -5.193 1.00 0.00 C ATOM 175 CD GLU A 9 14.722 8.040 -6.651 1.00 0.00 C ATOM 176 OE1 GLU A 9 14.431 6.864 -6.953 1.00 0.00 O ATOM 177 OE2 GLU A 9 14.815 8.960 -7.491 1.00 0.00 O ATOM 0 H GLU A 9 15.080 10.406 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 9 12.953 8.920 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.035 7.726 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.178 9.456 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.591 9.265 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.547 7.557 -4.737 1.00 0.00 H new ATOM 184 N GLY A 10 13.814 6.416 -2.314 1.00 0.00 N ATOM 185 CA GLY A 10 14.330 5.170 -1.778 1.00 0.00 C ATOM 186 C GLY A 10 13.576 3.960 -2.294 1.00 0.00 C ATOM 187 O GLY A 10 12.466 4.086 -2.811 1.00 0.00 O ATOM 0 H GLY A 10 12.860 6.366 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.384 5.075 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.271 5.194 -0.690 1.00 0.00 H new ATOM 191 N TYR A 11 14.181 2.785 -2.156 1.00 0.00 N ATOM 192 CA TYR A 11 13.561 1.548 -2.616 1.00 0.00 C ATOM 193 C TYR A 11 12.155 1.397 -2.043 1.00 0.00 C ATOM 194 O TYR A 11 11.978 1.225 -0.837 1.00 0.00 O ATOM 195 CB TYR A 11 14.418 0.345 -2.217 1.00 0.00 C ATOM 196 CG TYR A 11 15.877 0.492 -2.587 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.270 0.586 -3.917 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.861 0.535 -1.608 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.602 0.719 -4.260 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.195 0.670 -1.941 1.00 0.00 C ATOM 201 CZ TYR A 11 18.560 0.761 -3.268 1.00 0.00 C ATOM 202 OH TYR A 11 19.888 0.894 -3.605 1.00 0.00 O ATOM 0 H TYR A 11 15.100 2.663 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 11 13.488 1.590 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.338 0.194 -1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 11 14.019 -0.550 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.522 0.555 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.578 0.462 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.891 0.790 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.947 0.704 -1.167 1.00 0.00 H new ATOM 0 HH TYR A 11 20.432 0.908 -2.790 1.00 0.00 H new ATOM 212 N VAL A 12 11.157 1.462 -2.918 1.00 0.00 N ATOM 213 CA VAL A 12 9.766 1.331 -2.502 1.00 0.00 C ATOM 214 C VAL A 12 8.948 0.580 -3.547 1.00 0.00 C ATOM 215 O VAL A 12 9.310 0.539 -4.722 1.00 0.00 O ATOM 216 CB VAL A 12 9.122 2.708 -2.255 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.623 2.566 -2.034 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.780 3.399 -1.069 1.00 0.00 C ATOM 0 H VAL A 12 11.286 1.605 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 12 9.766 0.766 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 12 9.278 3.326 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.186 3.549 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.166 2.116 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.442 1.931 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.313 4.371 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.657 2.786 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.842 3.536 -1.271 1.00 0.00 H new ATOM 228 N VAL A 13 7.841 -0.013 -3.110 1.00 0.00 N ATOM 229 CA VAL A 13 6.970 -0.762 -4.007 1.00 0.00 C ATOM 230 C VAL A 13 5.501 -0.479 -3.710 1.00 0.00 C ATOM 231 O VAL A 13 5.136 -0.155 -2.580 1.00 0.00 O ATOM 232 CB VAL A 13 7.221 -2.277 -3.899 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.605 -2.628 -4.426 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.056 -2.743 -2.460 1.00 0.00 C ATOM 0 H VAL A 13 7.527 0.011 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 13 7.203 -0.434 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 13 6.483 -2.795 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.765 -3.703 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.682 -2.331 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.361 -2.102 -3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.237 -3.816 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.770 -2.220 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.043 -2.527 -2.122 1.00 0.00 H new ATOM 244 N LYS A 14 4.662 -0.604 -4.733 1.00 0.00 N ATOM 245 CA LYS A 14 3.232 -0.364 -4.583 1.00 0.00 C ATOM 246 C LYS A 14 2.434 -1.629 -4.880 1.00 0.00 C ATOM 247 O LYS A 14 2.594 -2.243 -5.936 1.00 0.00 O ATOM 248 CB LYS A 14 2.783 0.765 -5.514 1.00 0.00 C ATOM 249 CG LYS A 14 1.277 0.835 -5.703 1.00 0.00 C ATOM 250 CD LYS A 14 0.905 1.709 -6.889 1.00 0.00 C ATOM 251 CE LYS A 14 0.794 3.173 -6.488 1.00 0.00 C ATOM 252 NZ LYS A 14 0.455 4.041 -7.650 1.00 0.00 N ATOM 0 H LYS A 14 4.948 -0.870 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 14 3.045 -0.071 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.135 1.716 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.257 0.633 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.881 -0.170 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.814 1.230 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.656 1.601 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.043 1.372 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.030 3.282 -5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.737 3.503 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.388 5.030 -7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.196 3.957 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.457 3.743 -8.052 1.00 0.00 H new ATOM 266 N LEU A 15 1.573 -2.014 -3.944 1.00 0.00 N ATOM 267 CA LEU A 15 0.748 -3.206 -4.106 1.00 0.00 C ATOM 268 C LEU A 15 -0.706 -2.830 -4.369 1.00 0.00 C ATOM 269 O LEU A 15 -1.283 -2.006 -3.659 1.00 0.00 O ATOM 270 CB LEU A 15 0.842 -4.088 -2.860 1.00 0.00 C ATOM 271 CG LEU A 15 2.251 -4.502 -2.434 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.253 -4.981 -0.991 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.791 -5.584 -3.358 1.00 0.00 C ATOM 0 H LEU A 15 1.428 -1.518 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 15 1.121 -3.762 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.374 -3.560 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.257 -4.991 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 15 2.903 -3.631 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.264 -5.271 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.909 -4.177 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.587 -5.838 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.795 -5.866 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.138 -6.456 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.827 -5.205 -4.379 1.00 0.00 H new ATOM 285 N ARG A 16 -1.294 -3.441 -5.393 1.00 0.00 N ATOM 286 CA ARG A 16 -2.682 -3.171 -5.749 1.00 0.00 C ATOM 287 C ARG A 16 -3.518 -4.445 -5.682 1.00 0.00 C ATOM 288 O ARG A 16 -2.991 -5.552 -5.785 1.00 0.00 O ATOM 289 CB ARG A 16 -2.762 -2.568 -7.153 1.00 0.00 C ATOM 290 CG ARG A 16 -4.080 -1.867 -7.440 1.00 0.00 C ATOM 291 CD ARG A 16 -3.898 -0.719 -8.420 1.00 0.00 C ATOM 292 NE ARG A 16 -5.065 0.159 -8.458 1.00 0.00 N ATOM 293 CZ ARG A 16 -6.146 -0.086 -9.190 1.00 0.00 C ATOM 294 NH1 ARG A 16 -6.209 -1.177 -9.940 1.00 0.00 N ATOM 295 NH2 ARG A 16 -7.167 0.760 -9.171 1.00 0.00 N ATOM 0 H ARG A 16 -0.831 -4.126 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.083 -2.456 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.946 -1.856 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.613 -3.359 -7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.794 -2.584 -7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.503 -1.489 -6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.018 -0.140 -8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.713 -1.119 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.049 1.007 -7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.426 -1.831 -9.956 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.040 -1.363 -10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.123 1.600 -8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.997 0.571 -9.734 1.00 0.00 H new ATOM 309 N GLY A 17 -4.826 -4.280 -5.508 1.00 0.00 N ATOM 310 CA GLY A 17 -5.714 -5.426 -5.429 1.00 0.00 C ATOM 311 C GLY A 17 -5.746 -6.041 -4.044 1.00 0.00 C ATOM 312 O GLY A 17 -6.110 -7.206 -3.883 1.00 0.00 O ATOM 0 H GLY A 17 -5.286 -3.374 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.722 -5.121 -5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.395 -6.179 -6.150 1.00 0.00 H new ATOM 316 N LEU A 18 -5.362 -5.258 -3.042 1.00 0.00 N ATOM 317 CA LEU A 18 -5.346 -5.733 -1.663 1.00 0.00 C ATOM 318 C LEU A 18 -6.756 -5.769 -1.083 1.00 0.00 C ATOM 319 O LEU A 18 -7.620 -4.965 -1.436 1.00 0.00 O ATOM 320 CB LEU A 18 -4.452 -4.837 -0.804 1.00 0.00 C ATOM 321 CG LEU A 18 -2.959 -4.866 -1.133 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.250 -3.680 -0.498 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.336 -6.174 -0.667 1.00 0.00 C ATOM 0 H LEU A 18 -5.058 -4.291 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.945 -6.747 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.804 -3.810 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.579 -5.124 0.240 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.843 -4.796 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.188 -3.717 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.678 -2.753 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.374 -3.719 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.273 -6.177 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.463 -6.274 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.825 -7.009 -1.169 1.00 0.00 H new ATOM 335 N PRO A 19 -6.998 -6.722 -0.171 1.00 0.00 N ATOM 336 CA PRO A 19 -8.301 -6.884 0.479 1.00 0.00 C ATOM 337 C PRO A 19 -8.614 -5.745 1.443 1.00 0.00 C ATOM 338 O PRO A 19 -7.717 -5.202 2.089 1.00 0.00 O ATOM 339 CB PRO A 19 -8.157 -8.205 1.240 1.00 0.00 C ATOM 340 CG PRO A 19 -6.693 -8.344 1.482 1.00 0.00 C ATOM 341 CD PRO A 19 -6.016 -7.715 0.296 1.00 0.00 C ATOM 0 HA PRO A 19 -9.119 -6.879 -0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.713 -8.185 2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.543 -9.042 0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.401 -7.847 2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.412 -9.392 1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.072 -7.246 0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.791 -8.451 -0.476 1.00 0.00 H new ATOM 349 N TRP A 20 -9.890 -5.389 1.537 1.00 0.00 N ATOM 350 CA TRP A 20 -10.320 -4.313 2.424 1.00 0.00 C ATOM 351 C TRP A 20 -9.911 -4.600 3.864 1.00 0.00 C ATOM 352 O TRP A 20 -9.960 -3.717 4.720 1.00 0.00 O ATOM 353 CB TRP A 20 -11.836 -4.129 2.337 1.00 0.00 C ATOM 354 CG TRP A 20 -12.279 -3.429 1.089 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.559 -3.268 -0.060 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.543 -2.794 0.865 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.298 -2.571 -0.985 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.519 -2.269 -0.442 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.692 -2.620 1.640 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.601 -1.582 -0.988 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.764 -1.937 1.098 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.713 -1.426 -0.206 1.00 0.00 C ATOM 0 H TRP A 20 -10.645 -5.829 1.011 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.831 -3.393 2.104 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.317 -5.106 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.176 -3.562 3.203 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.556 -3.635 -0.218 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.988 -2.319 -1.924 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.742 -3.012 2.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.563 -1.187 -1.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.656 -1.795 1.689 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.568 -0.899 -0.602 1.00 0.00 H new ATOM 373 N SER A 21 -9.507 -5.839 4.125 1.00 0.00 N ATOM 374 CA SER A 21 -9.093 -6.242 5.464 1.00 0.00 C ATOM 375 C SER A 21 -7.593 -6.519 5.508 1.00 0.00 C ATOM 376 O SER A 21 -7.104 -7.204 6.407 1.00 0.00 O ATOM 377 CB SER A 21 -9.866 -7.485 5.907 1.00 0.00 C ATOM 378 OG SER A 21 -10.029 -7.510 7.315 1.00 0.00 O ATOM 0 H SER A 21 -9.458 -6.581 3.427 1.00 0.00 H new ATOM 0 HA SER A 21 -9.314 -5.423 6.148 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.843 -7.500 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.336 -8.381 5.583 1.00 0.00 H new ATOM 0 HG SER A 21 -10.527 -8.314 7.572 1.00 0.00 H new ATOM 384 N CYS A 22 -6.870 -5.982 4.532 1.00 0.00 N ATOM 385 CA CYS A 22 -5.425 -6.171 4.458 1.00 0.00 C ATOM 386 C CYS A 22 -4.728 -5.500 5.638 1.00 0.00 C ATOM 387 O CYS A 22 -4.994 -4.340 5.951 1.00 0.00 O ATOM 388 CB CYS A 22 -4.883 -5.609 3.143 1.00 0.00 C ATOM 389 SG CYS A 22 -3.156 -6.031 2.816 1.00 0.00 S ATOM 0 H CYS A 22 -7.260 -5.412 3.781 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.220 -7.241 4.499 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.498 -5.978 2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.985 -4.524 3.155 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.098 -7.175 2.201 1.00 0.00 H new ATOM 395 N SER A 23 -3.835 -6.239 6.289 1.00 0.00 N ATOM 396 CA SER A 23 -3.103 -5.719 7.437 1.00 0.00 C ATOM 397 C SER A 23 -1.598 -5.778 7.195 1.00 0.00 C ATOM 398 O SER A 23 -1.106 -6.665 6.496 1.00 0.00 O ATOM 399 CB SER A 23 -3.460 -6.509 8.697 1.00 0.00 C ATOM 400 OG SER A 23 -4.721 -6.113 9.208 1.00 0.00 O ATOM 0 H SER A 23 -3.601 -7.200 6.040 1.00 0.00 H new ATOM 0 HA SER A 23 -3.390 -4.677 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.475 -7.575 8.469 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.692 -6.356 9.456 1.00 0.00 H new ATOM 0 HG SER A 23 -4.926 -6.634 10.012 1.00 0.00 H new ATOM 406 N ILE A 24 -0.874 -4.828 7.776 1.00 0.00 N ATOM 407 CA ILE A 24 0.575 -4.773 7.625 1.00 0.00 C ATOM 408 C ILE A 24 1.175 -6.173 7.566 1.00 0.00 C ATOM 409 O ILE A 24 1.987 -6.474 6.691 1.00 0.00 O ATOM 410 CB ILE A 24 1.232 -3.993 8.779 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.785 -2.530 8.756 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.748 -4.091 8.689 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.237 -1.740 9.964 1.00 0.00 C ATOM 0 H ILE A 24 -1.267 -4.086 8.355 1.00 0.00 H new ATOM 0 HA ILE A 24 0.775 -4.255 6.687 1.00 0.00 H new ATOM 0 HB ILE A 24 0.914 -4.435 9.723 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.173 -2.054 7.855 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.303 -2.492 8.693 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.198 -3.535 9.511 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.049 -5.137 8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.084 -3.672 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.884 -0.712 9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.827 -2.191 10.868 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.326 -1.747 10.017 1.00 0.00 H new ATOM 425 N GLU A 25 0.769 -7.026 8.501 1.00 0.00 N ATOM 426 CA GLU A 25 1.266 -8.396 8.553 1.00 0.00 C ATOM 427 C GLU A 25 1.119 -9.080 7.198 1.00 0.00 C ATOM 428 O GLU A 25 2.074 -9.654 6.673 1.00 0.00 O ATOM 429 CB GLU A 25 0.518 -9.193 9.624 1.00 0.00 C ATOM 430 CG GLU A 25 1.072 -9.000 11.025 1.00 0.00 C ATOM 431 CD GLU A 25 0.026 -9.217 12.101 1.00 0.00 C ATOM 432 OE1 GLU A 25 -1.040 -8.570 12.030 1.00 0.00 O ATOM 433 OE2 GLU A 25 0.273 -10.032 13.014 1.00 0.00 O ATOM 0 H GLU A 25 0.098 -6.793 9.233 1.00 0.00 H new ATOM 0 HA GLU A 25 2.325 -8.362 8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.532 -8.901 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.557 -10.252 9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.899 -9.692 11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.477 -7.992 11.116 1.00 0.00 H new ATOM 440 N ASP A 26 -0.083 -9.017 6.637 1.00 0.00 N ATOM 441 CA ASP A 26 -0.356 -9.630 5.342 1.00 0.00 C ATOM 442 C ASP A 26 0.637 -9.145 4.291 1.00 0.00 C ATOM 443 O ASP A 26 1.085 -9.916 3.442 1.00 0.00 O ATOM 444 CB ASP A 26 -1.785 -9.314 4.896 1.00 0.00 C ATOM 445 CG ASP A 26 -2.797 -10.290 5.463 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.861 -10.425 6.703 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.527 -10.917 4.667 1.00 0.00 O ATOM 0 H ASP A 26 -0.884 -8.548 7.059 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.247 -10.709 5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.045 -8.303 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.836 -9.334 3.807 1.00 0.00 H new ATOM 452 N VAL A 27 0.977 -7.861 4.353 1.00 0.00 N ATOM 453 CA VAL A 27 1.917 -7.273 3.406 1.00 0.00 C ATOM 454 C VAL A 27 3.338 -7.761 3.668 1.00 0.00 C ATOM 455 O VAL A 27 4.016 -8.241 2.760 1.00 0.00 O ATOM 456 CB VAL A 27 1.894 -5.734 3.475 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.812 -5.138 2.419 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.473 -5.216 3.312 1.00 0.00 C ATOM 0 H VAL A 27 0.616 -7.209 5.049 1.00 0.00 H new ATOM 0 HA VAL A 27 1.604 -7.590 2.411 1.00 0.00 H new ATOM 0 HB VAL A 27 2.259 -5.426 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.782 -4.050 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.832 -5.484 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.480 -5.452 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.475 -4.127 3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.079 -5.533 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.154 -5.616 4.109 1.00 0.00 H new ATOM 468 N GLN A 28 3.781 -7.634 4.914 1.00 0.00 N ATOM 469 CA GLN A 28 5.122 -8.062 5.295 1.00 0.00 C ATOM 470 C GLN A 28 5.371 -9.508 4.876 1.00 0.00 C ATOM 471 O GLN A 28 6.396 -9.821 4.271 1.00 0.00 O ATOM 472 CB GLN A 28 5.318 -7.916 6.805 1.00 0.00 C ATOM 473 CG GLN A 28 5.146 -6.490 7.305 1.00 0.00 C ATOM 474 CD GLN A 28 5.357 -6.367 8.801 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.430 -6.558 9.588 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.582 -6.047 9.202 1.00 0.00 N ATOM 0 H GLN A 28 3.232 -7.238 5.677 1.00 0.00 H new ATOM 0 HA GLN A 28 5.840 -7.424 4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.606 -8.561 7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.315 -8.267 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.852 -5.840 6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.145 -6.139 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.321 -5.898 8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.784 -5.951 10.197 1.00 0.00 H new ATOM 485 N ASN A 29 4.427 -10.384 5.202 1.00 0.00 N ATOM 486 CA ASN A 29 4.545 -11.797 4.860 1.00 0.00 C ATOM 487 C ASN A 29 4.453 -12.001 3.351 1.00 0.00 C ATOM 488 O ASN A 29 5.137 -12.855 2.787 1.00 0.00 O ATOM 489 CB ASN A 29 3.453 -12.606 5.564 1.00 0.00 C ATOM 490 CG ASN A 29 3.713 -12.759 7.050 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.573 -13.535 7.465 1.00 0.00 O ATOM 492 ND2 ASN A 29 2.968 -12.015 7.860 1.00 0.00 N ATOM 0 H ASN A 29 3.572 -10.141 5.702 1.00 0.00 H new ATOM 0 HA ASN A 29 5.521 -12.147 5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.490 -12.118 5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.384 -13.593 5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.098 -12.074 8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.266 -11.385 7.472 1.00 0.00 H new ATOM 499 N PHE A 30 3.603 -11.211 2.704 1.00 0.00 N ATOM 500 CA PHE A 30 3.421 -11.305 1.260 1.00 0.00 C ATOM 501 C PHE A 30 4.734 -11.046 0.528 1.00 0.00 C ATOM 502 O PHE A 30 5.059 -11.724 -0.448 1.00 0.00 O ATOM 503 CB PHE A 30 2.358 -10.308 0.793 1.00 0.00 C ATOM 504 CG PHE A 30 2.104 -10.351 -0.687 1.00 0.00 C ATOM 505 CD1 PHE A 30 1.171 -11.227 -1.218 1.00 0.00 C ATOM 506 CD2 PHE A 30 2.800 -9.517 -1.547 1.00 0.00 C ATOM 507 CE1 PHE A 30 0.935 -11.269 -2.579 1.00 0.00 C ATOM 508 CE2 PHE A 30 2.568 -9.554 -2.909 1.00 0.00 C ATOM 509 CZ PHE A 30 1.635 -10.432 -3.426 1.00 0.00 C ATOM 0 H PHE A 30 3.030 -10.499 3.156 1.00 0.00 H new ATOM 0 HA PHE A 30 3.089 -12.316 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.425 -10.510 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.669 -9.301 1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.622 -11.885 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.532 -8.830 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.204 -11.956 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.116 -8.897 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.453 -10.464 -4.490 1.00 0.00 H new ATOM 519 N LEU A 31 5.485 -10.059 1.005 1.00 0.00 N ATOM 520 CA LEU A 31 6.764 -9.709 0.396 1.00 0.00 C ATOM 521 C LEU A 31 7.927 -10.223 1.239 1.00 0.00 C ATOM 522 O LEU A 31 8.927 -9.529 1.423 1.00 0.00 O ATOM 523 CB LEU A 31 6.872 -8.192 0.228 1.00 0.00 C ATOM 524 CG LEU A 31 5.708 -7.512 -0.493 1.00 0.00 C ATOM 525 CD1 LEU A 31 5.852 -5.999 -0.429 1.00 0.00 C ATOM 526 CD2 LEU A 31 5.628 -7.982 -1.938 1.00 0.00 C ATOM 0 H LEU A 31 5.231 -9.487 1.811 1.00 0.00 H new ATOM 0 HA LEU A 31 6.814 -10.182 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.973 -7.743 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.790 -7.971 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 31 4.782 -7.790 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.015 -5.532 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.859 -5.678 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.786 -5.702 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.794 -7.488 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.556 -7.734 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.477 -9.061 -1.962 1.00 0.00 H new ATOM 538 N SER A 32 7.789 -11.444 1.746 1.00 0.00 N ATOM 539 CA SER A 32 8.828 -12.050 2.570 1.00 0.00 C ATOM 540 C SER A 32 10.159 -12.088 1.826 1.00 0.00 C ATOM 541 O SER A 32 11.226 -12.000 2.434 1.00 0.00 O ATOM 542 CB SER A 32 8.420 -13.466 2.982 1.00 0.00 C ATOM 543 OG SER A 32 8.543 -14.368 1.896 1.00 0.00 O ATOM 0 H SER A 32 6.969 -12.032 1.601 1.00 0.00 H new ATOM 0 HA SER A 32 8.950 -11.440 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.044 -13.801 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.391 -13.462 3.340 1.00 0.00 H new ATOM 0 HG SER A 32 8.278 -15.266 2.185 1.00 0.00 H new ATOM 549 N ASP A 33 10.088 -12.221 0.506 1.00 0.00 N ATOM 550 CA ASP A 33 11.286 -12.270 -0.323 1.00 0.00 C ATOM 551 C ASP A 33 12.053 -10.953 -0.248 1.00 0.00 C ATOM 552 O ASP A 33 13.260 -10.911 -0.492 1.00 0.00 O ATOM 553 CB ASP A 33 10.916 -12.576 -1.775 1.00 0.00 C ATOM 554 CG ASP A 33 10.159 -13.882 -1.916 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.606 -14.360 -0.903 1.00 0.00 O ATOM 556 OD2 ASP A 33 10.118 -14.426 -3.039 1.00 0.00 O ATOM 0 H ASP A 33 9.213 -12.297 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 33 11.927 -13.066 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.308 -11.762 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.824 -12.619 -2.377 1.00 0.00 H new ATOM 561 N CYS A 34 11.346 -9.881 0.089 1.00 0.00 N ATOM 562 CA CYS A 34 11.959 -8.562 0.194 1.00 0.00 C ATOM 563 C CYS A 34 12.253 -8.213 1.649 1.00 0.00 C ATOM 564 O CYS A 34 11.630 -8.750 2.566 1.00 0.00 O ATOM 565 CB CYS A 34 11.047 -7.501 -0.423 1.00 0.00 C ATOM 566 SG CYS A 34 9.830 -6.815 0.726 1.00 0.00 S ATOM 0 H CYS A 34 10.347 -9.899 0.294 1.00 0.00 H new ATOM 0 HA CYS A 34 12.901 -8.583 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.662 -6.689 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.523 -7.938 -1.273 1.00 0.00 H new ATOM 0 HG CYS A 34 9.241 -7.783 1.363 1.00 0.00 H new ATOM 572 N THR A 35 13.208 -7.311 1.856 1.00 0.00 N ATOM 573 CA THR A 35 13.587 -6.893 3.199 1.00 0.00 C ATOM 574 C THR A 35 12.996 -5.529 3.538 1.00 0.00 C ATOM 575 O THR A 35 13.684 -4.510 3.466 1.00 0.00 O ATOM 576 CB THR A 35 15.118 -6.831 3.358 1.00 0.00 C ATOM 577 OG1 THR A 35 15.692 -8.110 3.069 1.00 0.00 O ATOM 578 CG2 THR A 35 15.499 -6.404 4.767 1.00 0.00 C ATOM 0 H THR A 35 13.733 -6.856 1.109 1.00 0.00 H new ATOM 0 HA THR A 35 13.188 -7.639 3.886 1.00 0.00 H new ATOM 0 HB THR A 35 15.505 -6.093 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.666 -8.062 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.585 -6.367 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.085 -5.417 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 35 15.101 -7.121 5.485 1.00 0.00 H new ATOM 586 N ILE A 36 11.720 -5.517 3.906 1.00 0.00 N ATOM 587 CA ILE A 36 11.038 -4.277 4.257 1.00 0.00 C ATOM 588 C ILE A 36 11.784 -3.532 5.359 1.00 0.00 C ATOM 589 O ILE A 36 12.139 -4.113 6.385 1.00 0.00 O ATOM 590 CB ILE A 36 9.593 -4.540 4.718 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.796 -5.223 3.605 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.924 -3.238 5.134 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.521 -5.878 4.089 1.00 0.00 C ATOM 0 H ILE A 36 11.137 -6.352 3.969 1.00 0.00 H new ATOM 0 HA ILE A 36 11.017 -3.663 3.357 1.00 0.00 H new ATOM 0 HB ILE A 36 9.618 -5.205 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.549 -4.486 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.424 -5.976 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.903 -3.441 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.482 -2.788 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.907 -2.551 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.008 -6.342 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.762 -6.639 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.873 -5.125 4.538 1.00 0.00 H new ATOM 605 N HIS A 37 12.018 -2.242 5.141 1.00 0.00 N ATOM 606 CA HIS A 37 12.720 -1.417 6.117 1.00 0.00 C ATOM 607 C HIS A 37 11.839 -1.145 7.332 1.00 0.00 C ATOM 608 O HIS A 37 10.679 -0.754 7.195 1.00 0.00 O ATOM 609 CB HIS A 37 13.154 -0.096 5.481 1.00 0.00 C ATOM 610 CG HIS A 37 13.276 1.030 6.462 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.484 1.456 6.972 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.332 1.819 7.026 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.278 2.458 7.808 1.00 0.00 C ATOM 614 NE2 HIS A 37 12.980 2.698 7.858 1.00 0.00 N ATOM 0 H HIS A 37 11.732 -1.746 4.297 1.00 0.00 H new ATOM 0 HA HIS A 37 13.605 -1.961 6.447 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.113 -0.239 4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.434 0.181 4.711 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.267 1.767 6.854 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.041 2.990 8.357 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.532 3.419 8.423 1.00 0.00 H new ATOM 623 N ASP A 38 12.396 -1.354 8.520 1.00 0.00 N ATOM 624 CA ASP A 38 11.661 -1.132 9.759 1.00 0.00 C ATOM 625 C ASP A 38 10.364 -1.935 9.774 1.00 0.00 C ATOM 626 O ASP A 38 9.407 -1.576 10.458 1.00 0.00 O ATOM 627 CB ASP A 38 11.355 0.357 9.936 1.00 0.00 C ATOM 628 CG ASP A 38 12.612 1.201 10.013 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.679 0.719 9.576 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.529 2.344 10.508 1.00 0.00 O ATOM 0 H ASP A 38 13.355 -1.677 8.651 1.00 0.00 H new ATOM 0 HA ASP A 38 12.285 -1.468 10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.741 0.700 9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.769 0.499 10.844 1.00 0.00 H new ATOM 635 N GLY A 39 10.341 -3.026 9.014 1.00 0.00 N ATOM 636 CA GLY A 39 9.157 -3.862 8.953 1.00 0.00 C ATOM 637 C GLY A 39 7.874 -3.056 9.003 1.00 0.00 C ATOM 638 O GLY A 39 7.664 -2.159 8.187 1.00 0.00 O ATOM 0 H GLY A 39 11.121 -3.345 8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.178 -4.449 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.171 -4.568 9.783 1.00 0.00 H new ATOM 642 N VAL A 40 7.012 -3.378 9.962 1.00 0.00 N ATOM 643 CA VAL A 40 5.742 -2.677 10.115 1.00 0.00 C ATOM 644 C VAL A 40 5.918 -1.174 9.929 1.00 0.00 C ATOM 645 O VAL A 40 5.049 -0.501 9.377 1.00 0.00 O ATOM 646 CB VAL A 40 5.118 -2.943 11.498 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.842 -4.427 11.683 1.00 0.00 C ATOM 648 CG2 VAL A 40 6.025 -2.419 12.601 1.00 0.00 C ATOM 0 H VAL A 40 7.170 -4.119 10.645 1.00 0.00 H new ATOM 0 HA VAL A 40 5.074 -3.059 9.343 1.00 0.00 H new ATOM 0 HB VAL A 40 4.168 -2.412 11.557 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.401 -4.595 12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.151 -4.767 10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.776 -4.983 11.604 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.569 -2.615 13.571 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.991 -2.920 12.546 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.166 -1.345 12.477 1.00 0.00 H new ATOM 658 N ALA A 41 7.049 -0.654 10.394 1.00 0.00 N ATOM 659 CA ALA A 41 7.341 0.769 10.276 1.00 0.00 C ATOM 660 C ALA A 41 7.868 1.109 8.886 1.00 0.00 C ATOM 661 O ALA A 41 8.566 2.105 8.703 1.00 0.00 O ATOM 662 CB ALA A 41 8.342 1.192 11.341 1.00 0.00 C ATOM 0 H ALA A 41 7.778 -1.197 10.856 1.00 0.00 H new ATOM 0 HA ALA A 41 6.412 1.319 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.551 2.257 11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.927 0.995 12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.266 0.628 11.216 1.00 0.00 H new ATOM 668 N GLY A 42 7.530 0.273 7.909 1.00 0.00 N ATOM 669 CA GLY A 42 7.978 0.502 6.548 1.00 0.00 C ATOM 670 C GLY A 42 6.852 0.391 5.540 1.00 0.00 C ATOM 671 O GLY A 42 7.019 0.738 4.371 1.00 0.00 O ATOM 0 H GLY A 42 6.954 -0.559 8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.427 1.493 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.757 -0.219 6.299 1.00 0.00 H new ATOM 675 N VAL A 43 5.701 -0.097 5.992 1.00 0.00 N ATOM 676 CA VAL A 43 4.542 -0.253 5.121 1.00 0.00 C ATOM 677 C VAL A 43 3.613 0.951 5.220 1.00 0.00 C ATOM 678 O VAL A 43 3.357 1.464 6.310 1.00 0.00 O ATOM 679 CB VAL A 43 3.750 -1.528 5.465 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.548 -1.675 4.545 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.648 -2.753 5.381 1.00 0.00 C ATOM 0 H VAL A 43 5.546 -0.391 6.956 1.00 0.00 H new ATOM 0 HA VAL A 43 4.921 -0.332 4.102 1.00 0.00 H new ATOM 0 HB VAL A 43 3.386 -1.442 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.001 -2.582 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.894 -0.811 4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.887 -1.738 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.071 -3.645 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.044 -2.845 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.473 -2.648 6.086 1.00 0.00 H new ATOM 691 N HIS A 44 3.110 1.400 4.074 1.00 0.00 N ATOM 692 CA HIS A 44 2.208 2.545 4.032 1.00 0.00 C ATOM 693 C HIS A 44 0.971 2.231 3.195 1.00 0.00 C ATOM 694 O HIS A 44 1.030 2.205 1.966 1.00 0.00 O ATOM 695 CB HIS A 44 2.927 3.767 3.460 1.00 0.00 C ATOM 696 CG HIS A 44 4.248 4.042 4.109 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.444 5.064 5.014 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.444 3.420 3.981 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.704 5.060 5.413 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.332 4.072 4.802 1.00 0.00 N ATOM 0 H HIS A 44 3.312 0.988 3.163 1.00 0.00 H new ATOM 0 HA HIS A 44 1.890 2.764 5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.080 3.621 2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.286 4.642 3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.660 2.570 3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.145 5.748 6.119 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.316 3.832 4.920 1.00 0.00 H new ATOM 709 N PHE A 45 -0.149 1.992 3.870 1.00 0.00 N ATOM 710 CA PHE A 45 -1.400 1.677 3.190 1.00 0.00 C ATOM 711 C PHE A 45 -2.010 2.930 2.567 1.00 0.00 C ATOM 712 O PHE A 45 -1.734 4.049 3.002 1.00 0.00 O ATOM 713 CB PHE A 45 -2.392 1.045 4.168 1.00 0.00 C ATOM 714 CG PHE A 45 -2.128 -0.410 4.432 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.503 -1.374 3.510 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.507 -0.813 5.603 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.261 -2.714 3.750 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.263 -2.151 5.848 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.641 -3.103 4.921 1.00 0.00 C ATOM 0 H PHE A 45 -0.216 2.011 4.888 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.183 0.965 2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.357 1.590 5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.402 1.157 3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.990 -1.075 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.210 -0.074 6.332 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.557 -3.456 3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.777 -2.452 6.764 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.452 -4.149 5.112 1.00 0.00 H new ATOM 729 N ILE A 46 -2.839 2.733 1.548 1.00 0.00 N ATOM 730 CA ILE A 46 -3.488 3.846 0.866 1.00 0.00 C ATOM 731 C ILE A 46 -4.980 3.887 1.180 1.00 0.00 C ATOM 732 O ILE A 46 -5.678 2.880 1.064 1.00 0.00 O ATOM 733 CB ILE A 46 -3.298 3.759 -0.660 1.00 0.00 C ATOM 734 CG1 ILE A 46 -1.816 3.600 -1.003 1.00 0.00 C ATOM 735 CG2 ILE A 46 -3.875 4.994 -1.336 1.00 0.00 C ATOM 736 CD1 ILE A 46 -0.971 4.787 -0.596 1.00 0.00 C ATOM 0 H ILE A 46 -3.077 1.813 1.176 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.017 4.759 1.231 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.832 2.884 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.432 2.706 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.715 3.443 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.733 4.918 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.940 5.066 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.366 5.883 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.068 4.605 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.329 5.681 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.042 4.932 0.482 1.00 0.00 H new ATOM 748 N TYR A 47 -5.463 5.059 1.576 1.00 0.00 N ATOM 749 CA TYR A 47 -6.872 5.233 1.908 1.00 0.00 C ATOM 750 C TYR A 47 -7.557 6.158 0.907 1.00 0.00 C ATOM 751 O TYR A 47 -6.905 6.767 0.058 1.00 0.00 O ATOM 752 CB TYR A 47 -7.020 5.795 3.322 1.00 0.00 C ATOM 753 CG TYR A 47 -6.393 4.925 4.388 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.029 4.986 4.649 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.163 4.042 5.134 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.452 4.192 5.621 1.00 0.00 C ATOM 757 CE2 TYR A 47 -6.595 3.245 6.109 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.239 3.324 6.349 1.00 0.00 C ATOM 759 OH TYR A 47 -4.668 2.532 7.318 1.00 0.00 O ATOM 0 H TYR A 47 -4.899 5.903 1.675 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.353 4.256 1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.566 6.785 3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.080 5.921 3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.410 5.666 4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.225 3.977 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.390 4.251 5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.209 2.564 6.680 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.360 1.979 7.738 1.00 0.00 H new ATOM 769 N THR A 48 -8.878 6.260 1.012 1.00 0.00 N ATOM 770 CA THR A 48 -9.654 7.110 0.118 1.00 0.00 C ATOM 771 C THR A 48 -10.175 8.344 0.846 1.00 0.00 C ATOM 772 O THR A 48 -9.874 8.556 2.020 1.00 0.00 O ATOM 773 CB THR A 48 -10.845 6.346 -0.491 1.00 0.00 C ATOM 774 OG1 THR A 48 -11.984 6.447 0.371 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.495 4.882 -0.707 1.00 0.00 C ATOM 0 H THR A 48 -9.434 5.764 1.709 1.00 0.00 H new ATOM 0 HA THR A 48 -8.983 7.421 -0.683 1.00 0.00 H new ATOM 0 HB THR A 48 -11.080 6.793 -1.457 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.776 6.101 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.351 4.363 -1.138 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.646 4.807 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.237 4.425 0.248 1.00 0.00 H new ATOM 783 N ARG A 49 -10.957 9.154 0.141 1.00 0.00 N ATOM 784 CA ARG A 49 -11.520 10.368 0.721 1.00 0.00 C ATOM 785 C ARG A 49 -12.499 10.032 1.842 1.00 0.00 C ATOM 786 O ARG A 49 -12.687 10.818 2.770 1.00 0.00 O ATOM 787 CB ARG A 49 -12.226 11.194 -0.356 1.00 0.00 C ATOM 788 CG ARG A 49 -13.104 12.301 0.203 1.00 0.00 C ATOM 789 CD ARG A 49 -12.288 13.536 0.552 1.00 0.00 C ATOM 790 NE ARG A 49 -12.023 14.366 -0.619 1.00 0.00 N ATOM 791 CZ ARG A 49 -12.914 15.198 -1.147 1.00 0.00 C ATOM 792 NH1 ARG A 49 -14.121 15.310 -0.610 1.00 0.00 N ATOM 793 NH2 ARG A 49 -12.598 15.920 -2.215 1.00 0.00 N ATOM 0 H ARG A 49 -11.215 8.992 -0.832 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.701 10.953 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.477 11.634 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.838 10.531 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.869 12.564 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.622 11.942 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.821 14.123 1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.343 13.231 1.001 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.103 14.304 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.367 14.757 0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.803 15.950 -1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.670 15.836 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.283 16.559 -2.620 1.00 0.00 H new ATOM 807 N GLU A 50 -13.118 8.859 1.748 1.00 0.00 N ATOM 808 CA GLU A 50 -14.078 8.421 2.755 1.00 0.00 C ATOM 809 C GLU A 50 -13.367 7.768 3.937 1.00 0.00 C ATOM 810 O GLU A 50 -13.819 7.864 5.077 1.00 0.00 O ATOM 811 CB GLU A 50 -15.080 7.439 2.142 1.00 0.00 C ATOM 812 CG GLU A 50 -15.586 7.861 0.773 1.00 0.00 C ATOM 813 CD GLU A 50 -16.937 7.259 0.440 1.00 0.00 C ATOM 814 OE1 GLU A 50 -17.849 7.339 1.290 1.00 0.00 O ATOM 815 OE2 GLU A 50 -17.083 6.708 -0.671 1.00 0.00 O ATOM 0 H GLU A 50 -12.972 8.196 0.986 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.614 9.299 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.611 6.458 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.929 7.331 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.657 8.948 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.862 7.563 0.014 1.00 0.00 H new ATOM 822 N GLY A 51 -12.251 7.102 3.655 1.00 0.00 N ATOM 823 CA GLY A 51 -11.496 6.442 4.703 1.00 0.00 C ATOM 824 C GLY A 51 -11.526 4.932 4.577 1.00 0.00 C ATOM 825 O GLY A 51 -11.492 4.218 5.579 1.00 0.00 O ATOM 0 H GLY A 51 -11.857 7.008 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.462 6.785 4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.899 6.730 5.674 1.00 0.00 H new ATOM 829 N ARG A 52 -11.591 4.444 3.343 1.00 0.00 N ATOM 830 CA ARG A 52 -11.629 3.009 3.089 1.00 0.00 C ATOM 831 C ARG A 52 -10.407 2.565 2.291 1.00 0.00 C ATOM 832 O ARG A 52 -9.887 3.316 1.466 1.00 0.00 O ATOM 833 CB ARG A 52 -12.907 2.636 2.335 1.00 0.00 C ATOM 834 CG ARG A 52 -12.828 2.894 0.839 1.00 0.00 C ATOM 835 CD ARG A 52 -13.953 2.194 0.093 1.00 0.00 C ATOM 836 NE ARG A 52 -14.164 2.761 -1.236 1.00 0.00 N ATOM 837 CZ ARG A 52 -14.972 2.224 -2.144 1.00 0.00 C ATOM 838 NH1 ARG A 52 -15.641 1.113 -1.867 1.00 0.00 N ATOM 839 NH2 ARG A 52 -15.112 2.799 -3.332 1.00 0.00 N ATOM 0 H ARG A 52 -11.618 5.022 2.503 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.620 2.496 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.123 1.581 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.742 3.202 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.877 3.966 0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.867 2.547 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.722 1.133 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.874 2.271 0.671 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.664 3.616 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.536 0.668 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.261 0.703 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.599 3.654 -3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.732 2.386 -4.028 1.00 0.00 H new ATOM 853 N GLN A 53 -9.953 1.342 2.544 1.00 0.00 N ATOM 854 CA GLN A 53 -8.791 0.800 1.850 1.00 0.00 C ATOM 855 C GLN A 53 -9.054 0.692 0.351 1.00 0.00 C ATOM 856 O GLN A 53 -9.661 -0.272 -0.115 1.00 0.00 O ATOM 857 CB GLN A 53 -8.428 -0.574 2.416 1.00 0.00 C ATOM 858 CG GLN A 53 -7.439 -0.515 3.568 1.00 0.00 C ATOM 859 CD GLN A 53 -6.593 -1.769 3.677 1.00 0.00 C ATOM 860 OE1 GLN A 53 -5.745 -2.035 2.825 1.00 0.00 O ATOM 861 NE2 GLN A 53 -6.821 -2.548 4.728 1.00 0.00 N ATOM 0 H GLN A 53 -10.372 0.708 3.224 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.955 1.482 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.338 -1.070 2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.008 -1.187 1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.787 0.348 3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.983 -0.366 4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.534 -2.289 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.283 -3.406 4.853 1.00 0.00 H new ATOM 870 N SER A 54 -8.592 1.689 -0.398 1.00 0.00 N ATOM 871 CA SER A 54 -8.781 1.708 -1.844 1.00 0.00 C ATOM 872 C SER A 54 -8.183 0.460 -2.487 1.00 0.00 C ATOM 873 O SER A 54 -8.611 0.035 -3.559 1.00 0.00 O ATOM 874 CB SER A 54 -8.143 2.962 -2.446 1.00 0.00 C ATOM 875 OG SER A 54 -6.768 3.044 -2.114 1.00 0.00 O ATOM 0 H SER A 54 -8.085 2.493 -0.028 1.00 0.00 H new ATOM 0 HA SER A 54 -9.852 1.721 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.258 2.948 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.662 3.849 -2.082 1.00 0.00 H new ATOM 0 HG SER A 54 -6.383 3.853 -2.512 1.00 0.00 H new ATOM 881 N GLY A 55 -7.189 -0.121 -1.822 1.00 0.00 N ATOM 882 CA GLY A 55 -6.547 -1.314 -2.343 1.00 0.00 C ATOM 883 C GLY A 55 -5.051 -1.139 -2.516 1.00 0.00 C ATOM 884 O GLY A 55 -4.293 -2.105 -2.433 1.00 0.00 O ATOM 0 H GLY A 55 -6.817 0.213 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.736 -2.149 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.993 -1.573 -3.303 1.00 0.00 H new ATOM 888 N GLU A 56 -4.625 0.097 -2.759 1.00 0.00 N ATOM 889 CA GLU A 56 -3.210 0.394 -2.946 1.00 0.00 C ATOM 890 C GLU A 56 -2.488 0.471 -1.604 1.00 0.00 C ATOM 891 O GLU A 56 -3.066 0.885 -0.600 1.00 0.00 O ATOM 892 CB GLU A 56 -3.039 1.710 -3.707 1.00 0.00 C ATOM 893 CG GLU A 56 -3.320 1.594 -5.196 1.00 0.00 C ATOM 894 CD GLU A 56 -3.613 2.935 -5.841 1.00 0.00 C ATOM 895 OE1 GLU A 56 -2.650 3.654 -6.179 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.806 3.264 -6.008 1.00 0.00 O ATOM 0 H GLU A 56 -5.239 0.908 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.769 -0.414 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.706 2.458 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.021 2.072 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.462 1.138 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.168 0.927 -5.351 1.00 0.00 H new ATOM 903 N ALA A 57 -1.221 0.070 -1.597 1.00 0.00 N ATOM 904 CA ALA A 57 -0.419 0.095 -0.380 1.00 0.00 C ATOM 905 C ALA A 57 1.071 0.052 -0.703 1.00 0.00 C ATOM 906 O ALA A 57 1.565 -0.922 -1.272 1.00 0.00 O ATOM 907 CB ALA A 57 -0.798 -1.067 0.526 1.00 0.00 C ATOM 0 H ALA A 57 -0.728 -0.276 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.624 1.030 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.191 -1.036 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.852 -0.991 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.623 -2.008 0.004 1.00 0.00 H new ATOM 913 N PHE A 58 1.782 1.113 -0.338 1.00 0.00 N ATOM 914 CA PHE A 58 3.215 1.197 -0.591 1.00 0.00 C ATOM 915 C PHE A 58 4.002 0.457 0.487 1.00 0.00 C ATOM 916 O PHE A 58 3.504 0.231 1.590 1.00 0.00 O ATOM 917 CB PHE A 58 3.660 2.660 -0.649 1.00 0.00 C ATOM 918 CG PHE A 58 3.157 3.392 -1.860 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.805 3.653 -2.017 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.036 3.819 -2.842 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.340 4.325 -3.131 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.577 4.492 -3.958 1.00 0.00 C ATOM 923 CZ PHE A 58 2.227 4.747 -4.102 1.00 0.00 C ATOM 0 H PHE A 58 1.389 1.927 0.134 1.00 0.00 H new ATOM 0 HA PHE A 58 3.417 0.725 -1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.311 3.173 0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.749 2.701 -0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.107 3.327 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.093 3.623 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.284 4.520 -3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.273 4.818 -4.717 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.866 5.275 -4.972 1.00 0.00 H new ATOM 933 N VAL A 59 5.234 0.082 0.160 1.00 0.00 N ATOM 934 CA VAL A 59 6.091 -0.632 1.099 1.00 0.00 C ATOM 935 C VAL A 59 7.556 -0.261 0.897 1.00 0.00 C ATOM 936 O VAL A 59 8.066 -0.293 -0.222 1.00 0.00 O ATOM 937 CB VAL A 59 5.935 -2.157 0.954 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.868 -2.884 1.909 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.489 -2.569 1.191 1.00 0.00 C ATOM 0 H VAL A 59 5.661 0.261 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 59 5.778 -0.336 2.100 1.00 0.00 H new ATOM 0 HB VAL A 59 6.207 -2.437 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.743 -3.960 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.900 -2.612 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.631 -2.601 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.397 -3.650 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.187 -2.276 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.846 -2.076 0.462 1.00 0.00 H new ATOM 949 N GLU A 60 8.228 0.090 1.989 1.00 0.00 N ATOM 950 CA GLU A 60 9.635 0.467 1.932 1.00 0.00 C ATOM 951 C GLU A 60 10.533 -0.764 2.016 1.00 0.00 C ATOM 952 O GLU A 60 10.190 -1.753 2.666 1.00 0.00 O ATOM 953 CB GLU A 60 9.973 1.437 3.066 1.00 0.00 C ATOM 954 CG GLU A 60 9.782 2.898 2.695 1.00 0.00 C ATOM 955 CD GLU A 60 11.034 3.520 2.108 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.592 2.940 1.152 1.00 0.00 O ATOM 957 OE2 GLU A 60 11.457 4.585 2.604 1.00 0.00 O ATOM 0 H GLU A 60 7.821 0.121 2.924 1.00 0.00 H new ATOM 0 HA GLU A 60 9.813 0.960 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.349 1.205 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.008 1.280 3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.967 2.983 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.484 3.458 3.581 1.00 0.00 H new ATOM 964 N LEU A 61 11.683 -0.698 1.354 1.00 0.00 N ATOM 965 CA LEU A 61 12.630 -1.807 1.353 1.00 0.00 C ATOM 966 C LEU A 61 13.945 -1.400 2.010 1.00 0.00 C ATOM 967 O LEU A 61 14.123 -0.247 2.403 1.00 0.00 O ATOM 968 CB LEU A 61 12.888 -2.282 -0.078 1.00 0.00 C ATOM 969 CG LEU A 61 11.648 -2.637 -0.900 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.037 -2.982 -2.329 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.894 -3.791 -0.257 1.00 0.00 C ATOM 0 H LEU A 61 11.982 0.112 0.811 1.00 0.00 H new ATOM 0 HA LEU A 61 12.195 -2.625 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.438 -1.502 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.536 -3.158 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 61 10.990 -1.768 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.142 -3.232 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.533 -2.126 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.715 -3.835 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.015 -4.030 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.544 -4.664 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.582 -3.507 0.748 1.00 0.00 H new ATOM 983 N GLU A 62 14.864 -2.354 2.124 1.00 0.00 N ATOM 984 CA GLU A 62 16.164 -2.093 2.732 1.00 0.00 C ATOM 985 C GLU A 62 17.196 -1.721 1.671 1.00 0.00 C ATOM 986 O GLU A 62 17.927 -0.742 1.818 1.00 0.00 O ATOM 987 CB GLU A 62 16.640 -3.318 3.516 1.00 0.00 C ATOM 988 CG GLU A 62 17.948 -3.096 4.257 1.00 0.00 C ATOM 989 CD GLU A 62 18.272 -4.223 5.218 1.00 0.00 C ATOM 990 OE1 GLU A 62 18.501 -5.357 4.748 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.298 -3.970 6.441 1.00 0.00 O ATOM 0 H GLU A 62 14.733 -3.313 1.804 1.00 0.00 H new ATOM 0 HA GLU A 62 16.054 -1.252 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.870 -3.602 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.759 -4.155 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.758 -2.995 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.894 -2.157 4.808 1.00 0.00 H new ATOM 998 N SER A 63 17.250 -2.511 0.604 1.00 0.00 N ATOM 999 CA SER A 63 18.195 -2.269 -0.480 1.00 0.00 C ATOM 1000 C SER A 63 17.519 -2.437 -1.838 1.00 0.00 C ATOM 1001 O SER A 63 16.336 -2.765 -1.917 1.00 0.00 O ATOM 1002 CB SER A 63 19.386 -3.223 -0.369 1.00 0.00 C ATOM 1003 OG SER A 63 19.960 -3.173 0.925 1.00 0.00 O ATOM 0 H SER A 63 16.650 -3.325 0.467 1.00 0.00 H new ATOM 0 HA SER A 63 18.552 -1.242 -0.396 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.062 -4.241 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.137 -2.960 -1.114 1.00 0.00 H new ATOM 0 HG SER A 63 20.718 -3.792 0.971 1.00 0.00 H new ATOM 1009 N GLU A 64 18.281 -2.209 -2.903 1.00 0.00 N ATOM 1010 CA GLU A 64 17.756 -2.334 -4.258 1.00 0.00 C ATOM 1011 C GLU A 64 17.203 -3.735 -4.500 1.00 0.00 C ATOM 1012 O GLU A 64 16.028 -3.902 -4.828 1.00 0.00 O ATOM 1013 CB GLU A 64 18.848 -2.020 -5.282 1.00 0.00 C ATOM 1014 CG GLU A 64 18.340 -1.954 -6.713 1.00 0.00 C ATOM 1015 CD GLU A 64 19.438 -1.635 -7.708 1.00 0.00 C ATOM 1016 OE1 GLU A 64 19.951 -0.497 -7.681 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.785 -2.523 -8.514 1.00 0.00 O ATOM 0 H GLU A 64 19.263 -1.937 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 64 16.943 -1.617 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.312 -1.067 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.626 -2.781 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.882 -2.908 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.560 -1.196 -6.783 1.00 0.00 H new ATOM 1024 N ASP A 65 18.058 -4.738 -4.336 1.00 0.00 N ATOM 1025 CA ASP A 65 17.656 -6.126 -4.536 1.00 0.00 C ATOM 1026 C ASP A 65 16.206 -6.338 -4.113 1.00 0.00 C ATOM 1027 O ASP A 65 15.410 -6.913 -4.855 1.00 0.00 O ATOM 1028 CB ASP A 65 18.573 -7.063 -3.749 1.00 0.00 C ATOM 1029 CG ASP A 65 19.857 -7.376 -4.491 1.00 0.00 C ATOM 1030 OD1 ASP A 65 19.827 -8.244 -5.388 1.00 0.00 O ATOM 1031 OD2 ASP A 65 20.892 -6.752 -4.175 1.00 0.00 O ATOM 0 H ASP A 65 19.034 -4.616 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 65 17.742 -6.354 -5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.814 -6.608 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.043 -7.992 -3.538 1.00 0.00 H new ATOM 1036 N ASP A 66 15.871 -5.871 -2.915 1.00 0.00 N ATOM 1037 CA ASP A 66 14.516 -6.009 -2.392 1.00 0.00 C ATOM 1038 C ASP A 66 13.484 -5.655 -3.458 1.00 0.00 C ATOM 1039 O ASP A 66 12.524 -6.394 -3.677 1.00 0.00 O ATOM 1040 CB ASP A 66 14.327 -5.117 -1.164 1.00 0.00 C ATOM 1041 CG ASP A 66 15.168 -5.569 0.014 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.436 -6.784 0.121 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.558 -4.707 0.829 1.00 0.00 O ATOM 0 H ASP A 66 16.519 -5.394 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 66 14.369 -7.049 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.588 -4.090 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.275 -5.116 -0.877 1.00 0.00 H new ATOM 1048 N VAL A 67 13.686 -4.518 -4.116 1.00 0.00 N ATOM 1049 CA VAL A 67 12.773 -4.065 -5.158 1.00 0.00 C ATOM 1050 C VAL A 67 12.609 -5.123 -6.243 1.00 0.00 C ATOM 1051 O VAL A 67 11.510 -5.628 -6.473 1.00 0.00 O ATOM 1052 CB VAL A 67 13.264 -2.755 -5.804 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.270 -2.269 -6.848 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.496 -1.692 -4.741 1.00 0.00 C ATOM 0 H VAL A 67 14.474 -3.894 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 67 11.810 -3.887 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 67 14.213 -2.950 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.634 -1.343 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.159 -3.026 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.304 -2.090 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.842 -0.773 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.563 -1.498 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.249 -2.042 -4.034 1.00 0.00 H new ATOM 1064 N LYS A 68 13.710 -5.456 -6.909 1.00 0.00 N ATOM 1065 CA LYS A 68 13.690 -6.456 -7.970 1.00 0.00 C ATOM 1066 C LYS A 68 12.936 -7.705 -7.526 1.00 0.00 C ATOM 1067 O LYS A 68 12.171 -8.288 -8.296 1.00 0.00 O ATOM 1068 CB LYS A 68 15.119 -6.827 -8.375 1.00 0.00 C ATOM 1069 CG LYS A 68 15.971 -5.631 -8.764 1.00 0.00 C ATOM 1070 CD LYS A 68 17.406 -6.039 -9.052 1.00 0.00 C ATOM 1071 CE LYS A 68 18.248 -4.848 -9.483 1.00 0.00 C ATOM 1072 NZ LYS A 68 18.196 -4.635 -10.956 1.00 0.00 N ATOM 0 H LYS A 68 14.628 -5.047 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 68 13.174 -6.028 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.598 -7.350 -7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.081 -7.523 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.545 -5.150 -9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.955 -4.895 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.842 -6.491 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.420 -6.798 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.896 -3.951 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.282 -5.004 -9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.783 -3.814 -11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.556 -5.481 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.213 -4.461 -11.247 1.00 0.00 H new ATOM 1086 N LEU A 69 13.154 -8.111 -6.280 1.00 0.00 N ATOM 1087 CA LEU A 69 12.493 -9.291 -5.733 1.00 0.00 C ATOM 1088 C LEU A 69 10.991 -9.061 -5.600 1.00 0.00 C ATOM 1089 O LEU A 69 10.187 -9.853 -6.089 1.00 0.00 O ATOM 1090 CB LEU A 69 13.089 -9.647 -4.369 1.00 0.00 C ATOM 1091 CG LEU A 69 14.591 -9.931 -4.347 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.134 -9.820 -2.930 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.883 -11.308 -4.925 1.00 0.00 C ATOM 0 H LEU A 69 13.783 -7.641 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 69 12.655 -10.120 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.884 -8.827 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.568 -10.524 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 69 15.091 -9.186 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.204 -10.025 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.959 -8.813 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.628 -10.542 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.957 -11.492 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.371 -12.067 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.530 -11.352 -5.955 1.00 0.00 H new ATOM 1105 N ALA A 70 10.621 -7.971 -4.937 1.00 0.00 N ATOM 1106 CA ALA A 70 9.216 -7.634 -4.743 1.00 0.00 C ATOM 1107 C ALA A 70 8.452 -7.691 -6.061 1.00 0.00 C ATOM 1108 O ALA A 70 7.344 -8.226 -6.126 1.00 0.00 O ATOM 1109 CB ALA A 70 9.085 -6.255 -4.115 1.00 0.00 C ATOM 0 H ALA A 70 11.275 -7.306 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 70 8.781 -8.371 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.030 -6.017 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.589 -6.246 -3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.541 -5.512 -4.769 1.00 0.00 H new ATOM 1115 N LEU A 71 9.048 -7.137 -7.111 1.00 0.00 N ATOM 1116 CA LEU A 71 8.423 -7.124 -8.428 1.00 0.00 C ATOM 1117 C LEU A 71 8.120 -8.542 -8.901 1.00 0.00 C ATOM 1118 O LEU A 71 7.236 -8.757 -9.730 1.00 0.00 O ATOM 1119 CB LEU A 71 9.331 -6.420 -9.439 1.00 0.00 C ATOM 1120 CG LEU A 71 9.509 -4.914 -9.246 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.616 -4.387 -10.146 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.203 -4.183 -9.520 1.00 0.00 C ATOM 0 H LEU A 71 9.964 -6.691 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 71 7.483 -6.578 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.314 -6.889 -9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.932 -6.593 -10.438 1.00 0.00 H new ATOM 0 HG LEU A 71 9.794 -4.731 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.728 -3.313 -9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.553 -4.888 -9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.362 -4.582 -11.188 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.349 -3.112 -9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.888 -4.373 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.436 -4.539 -8.833 1.00 0.00 H new ATOM 1134 N LYS A 72 8.859 -9.509 -8.367 1.00 0.00 N ATOM 1135 CA LYS A 72 8.669 -10.908 -8.731 1.00 0.00 C ATOM 1136 C LYS A 72 7.367 -11.449 -8.148 1.00 0.00 C ATOM 1137 O LYS A 72 6.902 -12.523 -8.531 1.00 0.00 O ATOM 1138 CB LYS A 72 9.849 -11.749 -8.238 1.00 0.00 C ATOM 1139 CG LYS A 72 11.199 -11.233 -8.703 1.00 0.00 C ATOM 1140 CD LYS A 72 12.288 -12.278 -8.522 1.00 0.00 C ATOM 1141 CE LYS A 72 13.621 -11.795 -9.072 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.672 -12.846 -8.981 1.00 0.00 N ATOM 0 H LYS A 72 9.596 -9.349 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 72 8.614 -10.971 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.835 -11.776 -7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.723 -12.775 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.138 -10.948 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.459 -10.335 -8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.394 -12.515 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.997 -13.199 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.497 -11.494 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.942 -10.911 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.565 -12.478 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.809 -13.115 -7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.377 -13.680 -9.528 1.00 0.00 H new ATOM 1156 N LYS A 73 6.781 -10.698 -7.222 1.00 0.00 N ATOM 1157 CA LYS A 73 5.531 -11.100 -6.588 1.00 0.00 C ATOM 1158 C LYS A 73 4.331 -10.585 -7.377 1.00 0.00 C ATOM 1159 O LYS A 73 3.230 -10.463 -6.840 1.00 0.00 O ATOM 1160 CB LYS A 73 5.473 -10.577 -5.151 1.00 0.00 C ATOM 1161 CG LYS A 73 6.784 -10.720 -4.398 1.00 0.00 C ATOM 1162 CD LYS A 73 7.026 -12.157 -3.967 1.00 0.00 C ATOM 1163 CE LYS A 73 6.292 -12.482 -2.675 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.405 -13.924 -2.321 1.00 0.00 N ATOM 0 H LYS A 73 7.152 -9.807 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 73 5.494 -12.189 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.186 -9.526 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.693 -11.112 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.606 -10.386 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.773 -10.073 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.696 -12.835 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.095 -12.322 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.697 -11.876 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.240 -12.214 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.892 -14.105 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.995 -14.502 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.407 -14.174 -2.198 1.00 0.00 H new ATOM 1178 N ASP A 74 4.552 -10.285 -8.652 1.00 0.00 N ATOM 1179 CA ASP A 74 3.488 -9.785 -9.515 1.00 0.00 C ATOM 1180 C ASP A 74 2.483 -10.889 -9.834 1.00 0.00 C ATOM 1181 O ASP A 74 2.821 -12.072 -9.817 1.00 0.00 O ATOM 1182 CB ASP A 74 4.074 -9.223 -10.811 1.00 0.00 C ATOM 1183 CG ASP A 74 4.261 -10.289 -11.872 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.931 -11.304 -11.584 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.737 -10.110 -12.991 1.00 0.00 O ATOM 0 H ASP A 74 5.458 -10.379 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 74 2.969 -8.987 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.416 -8.443 -11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.035 -8.754 -10.598 1.00 0.00 H new ATOM 1190 N ARG A 75 1.248 -10.492 -10.122 1.00 0.00 N ATOM 1191 CA ARG A 75 0.194 -11.447 -10.442 1.00 0.00 C ATOM 1192 C ARG A 75 0.129 -12.555 -9.395 1.00 0.00 C ATOM 1193 O ARG A 75 -0.250 -13.686 -9.698 1.00 0.00 O ATOM 1194 CB ARG A 75 0.429 -12.053 -11.827 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.171 -11.235 -12.959 1.00 0.00 C ATOM 1196 CD ARG A 75 0.543 -11.498 -14.276 1.00 0.00 C ATOM 1197 NE ARG A 75 0.095 -10.594 -15.331 1.00 0.00 N ATOM 1198 CZ ARG A 75 -0.971 -10.821 -16.091 1.00 0.00 C ATOM 1199 NH1 ARG A 75 -1.694 -11.918 -15.912 1.00 0.00 N ATOM 1200 NH2 ARG A 75 -1.315 -9.951 -17.032 1.00 0.00 N ATOM 0 H ARG A 75 0.953 -9.516 -10.140 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.757 -10.914 -10.442 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.502 -12.155 -11.993 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.006 -13.057 -11.852 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.229 -11.477 -13.063 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.109 -10.174 -12.716 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.618 -11.385 -14.134 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.368 -12.529 -14.584 1.00 0.00 H new ATOM 0 HE ARG A 75 0.630 -9.741 -15.494 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.432 -12.589 -15.190 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.512 -12.091 -16.496 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.761 -9.106 -17.173 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.134 -10.127 -17.615 1.00 0.00 H new ATOM 1214 N GLU A 76 0.501 -12.221 -8.163 1.00 0.00 N ATOM 1215 CA GLU A 76 0.485 -13.189 -7.073 1.00 0.00 C ATOM 1216 C GLU A 76 -0.898 -13.265 -6.432 1.00 0.00 C ATOM 1217 O GLU A 76 -1.844 -12.629 -6.896 1.00 0.00 O ATOM 1218 CB GLU A 76 1.528 -12.818 -6.017 1.00 0.00 C ATOM 1219 CG GLU A 76 2.889 -13.449 -6.257 1.00 0.00 C ATOM 1220 CD GLU A 76 2.971 -14.873 -5.744 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.186 -15.224 -4.839 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.820 -15.638 -6.249 1.00 0.00 O ATOM 0 H GLU A 76 0.817 -11.289 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 76 0.729 -14.167 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.639 -11.734 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.164 -13.123 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.107 -13.439 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.656 -12.847 -5.770 1.00 0.00 H new ATOM 1229 N SER A 77 -1.007 -14.048 -5.364 1.00 0.00 N ATOM 1230 CA SER A 77 -2.274 -14.211 -4.662 1.00 0.00 C ATOM 1231 C SER A 77 -2.077 -14.104 -3.153 1.00 0.00 C ATOM 1232 O SER A 77 -1.281 -14.837 -2.566 1.00 0.00 O ATOM 1233 CB SER A 77 -2.905 -15.561 -5.010 1.00 0.00 C ATOM 1234 OG SER A 77 -2.022 -16.629 -4.711 1.00 0.00 O ATOM 0 H SER A 77 -0.233 -14.580 -4.966 1.00 0.00 H new ATOM 0 HA SER A 77 -2.943 -13.412 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.834 -15.686 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.163 -15.583 -6.069 1.00 0.00 H new ATOM 0 HG SER A 77 -1.512 -16.415 -3.902 1.00 0.00 H new ATOM 1240 N MET A 78 -2.809 -13.185 -2.531 1.00 0.00 N ATOM 1241 CA MET A 78 -2.716 -12.982 -1.089 1.00 0.00 C ATOM 1242 C MET A 78 -4.006 -13.409 -0.396 1.00 0.00 C ATOM 1243 O MET A 78 -5.034 -12.744 -0.513 1.00 0.00 O ATOM 1244 CB MET A 78 -2.417 -11.514 -0.778 1.00 0.00 C ATOM 1245 CG MET A 78 -2.543 -11.168 0.697 1.00 0.00 C ATOM 1246 SD MET A 78 -2.667 -9.393 0.985 1.00 0.00 S ATOM 1247 CE MET A 78 -0.971 -8.886 0.714 1.00 0.00 C ATOM 0 H MET A 78 -3.472 -12.570 -3.002 1.00 0.00 H new ATOM 0 HA MET A 78 -1.901 -13.599 -0.711 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.407 -11.278 -1.113 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.098 -10.884 -1.350 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.424 -11.661 1.108 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.679 -11.560 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.855 -7.839 0.993 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.306 -9.499 1.323 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.718 -9.011 -0.339 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.943 -14.523 0.327 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.113 -15.019 1.028 1.00 0.00 C ATOM 1259 C GLY A 79 -6.155 -15.590 0.086 1.00 0.00 C ATOM 1260 O GLY A 79 -6.125 -16.777 -0.238 1.00 0.00 O ATOM 0 H GLY A 79 -3.103 -15.091 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.809 -15.788 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.556 -14.209 1.607 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.080 -14.743 -0.353 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.137 -15.170 -1.263 1.00 0.00 C ATOM 1266 C HIS A 80 -8.320 -14.163 -2.395 1.00 0.00 C ATOM 1267 O HIS A 80 -9.342 -14.165 -3.081 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.452 -15.345 -0.504 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.030 -14.058 -0.001 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.319 -13.653 -0.275 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.486 -13.083 0.765 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -11.543 -12.485 0.299 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.447 -12.117 0.937 1.00 0.00 N ATOM 0 H HIS A 80 -7.119 -13.757 -0.094 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.845 -16.127 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.178 -15.828 -1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.288 -16.015 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.483 -13.068 1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.466 -11.926 0.254 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.333 -11.255 1.471 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.323 -13.304 -2.583 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.375 -12.290 -3.629 1.00 0.00 C ATOM 1284 C ARG A 81 -6.038 -12.193 -4.358 1.00 0.00 C ATOM 1285 O ARG A 81 -5.059 -12.831 -3.970 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.744 -10.930 -3.034 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.140 -10.887 -2.433 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.631 -9.458 -2.267 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.260 -8.951 -3.484 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.536 -9.158 -3.792 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -12.313 -9.858 -2.978 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -12.036 -8.664 -4.918 1.00 0.00 N ATOM 0 H ARG A 81 -6.470 -13.290 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.141 -12.584 -4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.018 -10.671 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.669 -10.170 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.830 -11.438 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.136 -11.386 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.345 -9.413 -1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.793 -8.816 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.689 -8.409 -4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.932 -10.240 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.292 -10.015 -3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.441 -8.125 -5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.015 -8.823 -5.154 1.00 0.00 H new ATOM 1306 N TYR A 82 -6.004 -11.390 -5.416 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.789 -11.211 -6.201 1.00 0.00 C ATOM 1308 C TYR A 82 -4.100 -9.896 -5.847 1.00 0.00 C ATOM 1309 O TYR A 82 -4.753 -8.924 -5.465 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.112 -11.244 -7.696 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.999 -12.621 -8.309 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.917 -13.618 -8.001 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.976 -12.925 -9.198 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.817 -14.878 -8.559 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.869 -14.182 -9.762 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.792 -15.155 -9.439 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.690 -16.408 -9.998 1.00 0.00 O ATOM 0 H TYR A 82 -6.804 -10.853 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.111 -12.031 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.124 -10.869 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.438 -10.566 -8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.722 -13.404 -7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.252 -12.166 -9.453 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.538 -15.642 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.067 -14.401 -10.452 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.914 -16.437 -10.596 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.778 -9.874 -5.978 1.00 0.00 N ATOM 1328 CA ILE A 83 -2.001 -8.679 -5.674 1.00 0.00 C ATOM 1329 C ILE A 83 -1.113 -8.287 -6.850 1.00 0.00 C ATOM 1330 O ILE A 83 -0.473 -9.137 -7.467 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.121 -8.882 -4.427 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.926 -9.550 -3.311 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.555 -7.551 -3.955 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.176 -8.789 -2.929 1.00 0.00 C ATOM 0 H ILE A 83 -2.223 -10.670 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.716 -7.879 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.289 -9.535 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.205 -10.555 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.292 -9.657 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.065 -7.711 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.050 -7.111 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.373 -6.876 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.697 -9.321 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.903 -7.792 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.830 -8.705 -3.797 1.00 0.00 H new ATOM 1346 N GLU A 84 -1.080 -6.993 -7.154 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.269 -6.488 -8.256 1.00 0.00 C ATOM 1348 C GLU A 84 0.854 -5.593 -7.740 1.00 0.00 C ATOM 1349 O GLU A 84 0.604 -4.561 -7.117 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.141 -5.712 -9.246 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.152 -6.580 -9.977 1.00 0.00 C ATOM 1352 CD GLU A 84 -3.066 -5.775 -10.881 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -4.023 -5.162 -10.364 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -2.823 -5.758 -12.106 1.00 0.00 O ATOM 0 H GLU A 84 -1.605 -6.276 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 84 0.176 -7.342 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.671 -4.924 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.498 -5.223 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.623 -7.325 -10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.754 -7.123 -9.248 1.00 0.00 H new ATOM 1361 N VAL A 85 2.092 -5.997 -8.004 1.00 0.00 N ATOM 1362 CA VAL A 85 3.255 -5.233 -7.567 1.00 0.00 C ATOM 1363 C VAL A 85 3.607 -4.144 -8.575 1.00 0.00 C ATOM 1364 O VAL A 85 3.513 -4.350 -9.785 1.00 0.00 O ATOM 1365 CB VAL A 85 4.480 -6.143 -7.362 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.653 -5.345 -6.813 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.135 -7.302 -6.439 1.00 0.00 C ATOM 0 H VAL A 85 2.316 -6.849 -8.518 1.00 0.00 H new ATOM 0 HA VAL A 85 2.992 -4.772 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 85 4.771 -6.553 -8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.509 -6.005 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.915 -4.553 -7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.377 -4.904 -5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.013 -7.935 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.817 -6.914 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.328 -7.889 -6.878 1.00 0.00 H new ATOM 1377 N PHE A 86 4.013 -2.985 -8.068 1.00 0.00 N ATOM 1378 CA PHE A 86 4.379 -1.862 -8.923 1.00 0.00 C ATOM 1379 C PHE A 86 5.650 -1.186 -8.419 1.00 0.00 C ATOM 1380 O PHE A 86 5.774 -0.875 -7.234 1.00 0.00 O ATOM 1381 CB PHE A 86 3.236 -0.846 -8.984 1.00 0.00 C ATOM 1382 CG PHE A 86 2.067 -1.308 -9.806 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.243 -1.719 -11.117 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.791 -1.331 -9.267 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.169 -2.145 -11.876 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.287 -1.756 -10.020 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.098 -2.162 -11.327 1.00 0.00 C ATOM 0 H PHE A 86 4.097 -2.799 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 86 4.567 -2.247 -9.925 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.896 -0.633 -7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.614 0.089 -9.397 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.232 -1.706 -11.552 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.637 -1.013 -8.246 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.321 -2.464 -12.897 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.276 -1.771 -9.587 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.939 -2.492 -11.918 1.00 0.00 H new ATOM 1397 N LYS A 87 6.593 -0.960 -9.327 1.00 0.00 N ATOM 1398 CA LYS A 87 7.856 -0.320 -8.976 1.00 0.00 C ATOM 1399 C LYS A 87 7.669 1.182 -8.782 1.00 0.00 C ATOM 1400 O LYS A 87 7.291 1.895 -9.712 1.00 0.00 O ATOM 1401 CB LYS A 87 8.901 -0.578 -10.064 1.00 0.00 C ATOM 1402 CG LYS A 87 10.329 -0.587 -9.545 1.00 0.00 C ATOM 1403 CD LYS A 87 10.773 0.800 -9.112 1.00 0.00 C ATOM 1404 CE LYS A 87 12.285 0.880 -8.966 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.944 1.289 -10.237 1.00 0.00 N ATOM 0 H LYS A 87 6.507 -1.210 -10.312 1.00 0.00 H new ATOM 0 HA LYS A 87 8.204 -0.750 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.690 -1.536 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.808 0.187 -10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.407 -1.274 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.997 -0.958 -10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.437 1.536 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.301 1.055 -8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.537 1.593 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.671 -0.090 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.974 1.332 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.725 0.596 -10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.595 2.226 -10.523 1.00 0.00 H new ATOM 1419 N SER A 88 7.936 1.655 -7.569 1.00 0.00 N ATOM 1420 CA SER A 88 7.795 3.072 -7.253 1.00 0.00 C ATOM 1421 C SER A 88 8.904 3.531 -6.312 1.00 0.00 C ATOM 1422 O SER A 88 9.587 2.714 -5.692 1.00 0.00 O ATOM 1423 CB SER A 88 6.429 3.341 -6.620 1.00 0.00 C ATOM 1424 OG SER A 88 5.970 4.644 -6.933 1.00 0.00 O ATOM 0 H SER A 88 8.251 1.078 -6.789 1.00 0.00 H new ATOM 0 HA SER A 88 7.874 3.636 -8.182 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.709 2.603 -6.974 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.497 3.226 -5.538 1.00 0.00 H new ATOM 0 HG SER A 88 6.208 4.861 -7.859 1.00 0.00 H new ATOM 1430 N HIS A 89 9.078 4.845 -6.210 1.00 0.00 N ATOM 1431 CA HIS A 89 10.104 5.415 -5.343 1.00 0.00 C ATOM 1432 C HIS A 89 9.498 5.898 -4.029 1.00 0.00 C ATOM 1433 O HIS A 89 8.311 5.700 -3.772 1.00 0.00 O ATOM 1434 CB HIS A 89 10.811 6.573 -6.049 1.00 0.00 C ATOM 1435 CG HIS A 89 9.895 7.418 -6.878 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.221 7.138 -8.018 1.00 0.00 N flip ATOM 1437 CD2 HIS A 89 9.584 8.724 -6.563 1.00 0.00 C flip ATOM 1438 CE1 HIS A 89 8.523 8.267 -8.367 1.00 0.00 C flip ATOM 1439 NE2 HIS A 89 8.758 9.210 -7.472 1.00 0.00 N flip ATOM 0 H HIS A 89 8.523 5.535 -6.716 1.00 0.00 H new ATOM 0 HA HIS A 89 10.832 4.635 -5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.295 7.202 -5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.599 6.172 -6.687 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.958 9.265 -5.706 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.885 8.368 -9.233 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.368 10.152 -7.481 1.00 0.00 H new ATOM 1448 N ARG A 90 10.322 6.532 -3.201 1.00 0.00 N ATOM 1449 CA ARG A 90 9.868 7.041 -1.913 1.00 0.00 C ATOM 1450 C ARG A 90 9.199 8.403 -2.072 1.00 0.00 C ATOM 1451 O ARG A 90 8.054 8.598 -1.661 1.00 0.00 O ATOM 1452 CB ARG A 90 11.043 7.149 -0.940 1.00 0.00 C ATOM 1453 CG ARG A 90 10.764 8.044 0.256 1.00 0.00 C ATOM 1454 CD ARG A 90 9.859 7.357 1.267 1.00 0.00 C ATOM 1455 NE ARG A 90 9.959 7.964 2.592 1.00 0.00 N ATOM 1456 CZ ARG A 90 9.261 9.030 2.967 1.00 0.00 C ATOM 1457 NH1 ARG A 90 8.416 9.603 2.122 1.00 0.00 N ATOM 1458 NH2 ARG A 90 9.407 9.523 4.190 1.00 0.00 N ATOM 0 H ARG A 90 11.307 6.705 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 90 9.136 6.340 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.302 6.152 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.912 7.532 -1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.704 8.317 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.298 8.969 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.826 7.407 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.123 6.301 1.331 1.00 0.00 H new ATOM 0 HE ARG A 90 10.600 7.546 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.301 9.225 1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.881 10.422 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.056 9.083 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.871 10.342 4.477 1.00 0.00 H new ATOM 1472 N THR A 91 9.921 9.345 -2.671 1.00 0.00 N ATOM 1473 CA THR A 91 9.399 10.689 -2.884 1.00 0.00 C ATOM 1474 C THR A 91 7.929 10.651 -3.286 1.00 0.00 C ATOM 1475 O THR A 91 7.103 11.366 -2.721 1.00 0.00 O ATOM 1476 CB THR A 91 10.197 11.437 -3.968 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.574 11.530 -3.586 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.633 12.832 -4.190 1.00 0.00 C ATOM 0 H THR A 91 10.870 9.202 -3.017 1.00 0.00 H new ATOM 0 HA THR A 91 9.500 11.220 -1.938 1.00 0.00 H new ATOM 0 HB THR A 91 10.115 10.877 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.075 12.005 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.213 13.341 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.593 12.758 -4.509 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.688 13.399 -3.261 1.00 0.00 H new ATOM 1486 N GLU A 92 7.610 9.812 -4.267 1.00 0.00 N ATOM 1487 CA GLU A 92 6.239 9.681 -4.744 1.00 0.00 C ATOM 1488 C GLU A 92 5.316 9.208 -3.625 1.00 0.00 C ATOM 1489 O GLU A 92 4.351 9.886 -3.274 1.00 0.00 O ATOM 1490 CB GLU A 92 6.175 8.704 -5.920 1.00 0.00 C ATOM 1491 CG GLU A 92 4.794 8.115 -6.148 1.00 0.00 C ATOM 1492 CD GLU A 92 4.581 7.663 -7.580 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.502 7.043 -8.150 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.492 7.930 -8.130 1.00 0.00 O ATOM 0 H GLU A 92 8.283 9.213 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 92 5.903 10.663 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.495 9.218 -6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.882 7.893 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.650 7.267 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.039 8.858 -5.889 1.00 0.00 H new ATOM 1501 N MET A 93 5.619 8.040 -3.070 1.00 0.00 N ATOM 1502 CA MET A 93 4.818 7.476 -1.990 1.00 0.00 C ATOM 1503 C MET A 93 4.525 8.527 -0.924 1.00 0.00 C ATOM 1504 O MET A 93 3.583 8.387 -0.144 1.00 0.00 O ATOM 1505 CB MET A 93 5.538 6.281 -1.362 1.00 0.00 C ATOM 1506 CG MET A 93 4.820 5.707 -0.151 1.00 0.00 C ATOM 1507 SD MET A 93 5.845 4.554 0.782 1.00 0.00 S ATOM 1508 CE MET A 93 7.096 5.660 1.428 1.00 0.00 C ATOM 0 H MET A 93 6.414 7.465 -3.350 1.00 0.00 H new ATOM 0 HA MET A 93 3.871 7.139 -2.412 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.649 5.499 -2.113 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.542 6.586 -1.068 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.510 6.522 0.503 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.913 5.198 -0.478 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.065 5.402 1.001 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.845 6.687 1.164 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.141 5.565 2.513 1.00 0.00 H new ATOM 1518 N ASP A 94 5.338 9.577 -0.897 1.00 0.00 N ATOM 1519 CA ASP A 94 5.165 10.652 0.073 1.00 0.00 C ATOM 1520 C ASP A 94 3.946 11.503 -0.270 1.00 0.00 C ATOM 1521 O ASP A 94 3.176 11.885 0.611 1.00 0.00 O ATOM 1522 CB ASP A 94 6.417 11.529 0.123 1.00 0.00 C ATOM 1523 CG ASP A 94 6.632 12.154 1.487 1.00 0.00 C ATOM 1524 OD1 ASP A 94 6.432 11.452 2.500 1.00 0.00 O ATOM 1525 OD2 ASP A 94 7.002 13.345 1.542 1.00 0.00 O ATOM 0 H ASP A 94 6.123 9.707 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 94 5.007 10.202 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.288 10.929 -0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.335 12.317 -0.626 1.00 0.00 H new ATOM 1530 N TRP A 95 3.779 11.797 -1.554 1.00 0.00 N ATOM 1531 CA TRP A 95 2.654 12.604 -2.013 1.00 0.00 C ATOM 1532 C TRP A 95 1.372 11.781 -2.048 1.00 0.00 C ATOM 1533 O TRP A 95 0.327 12.219 -1.566 1.00 0.00 O ATOM 1534 CB TRP A 95 2.945 13.178 -3.401 1.00 0.00 C ATOM 1535 CG TRP A 95 2.399 12.339 -4.516 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.118 11.622 -5.429 1.00 0.00 C ATOM 1537 CD2 TRP A 95 1.019 12.132 -4.837 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.268 10.982 -6.299 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.975 11.278 -5.956 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.184 12.584 -4.287 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.224 10.869 -6.534 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.373 12.178 -4.861 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.387 11.327 -5.975 1.00 0.00 C ATOM 0 H TRP A 95 4.408 11.489 -2.296 1.00 0.00 H new ATOM 0 HA TRP A 95 2.517 13.425 -1.309 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.521 14.180 -3.468 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.023 13.279 -3.526 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.196 11.566 -5.463 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.553 10.384 -7.074 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.184 13.239 -3.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.236 10.214 -7.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.308 12.522 -4.444 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.333 11.027 -6.400 1.00 0.00 H new ATOM 1554 N VAL A 96 1.457 10.584 -2.621 1.00 0.00 N ATOM 1555 CA VAL A 96 0.303 9.699 -2.717 1.00 0.00 C ATOM 1556 C VAL A 96 -0.335 9.477 -1.350 1.00 0.00 C ATOM 1557 O VAL A 96 -1.549 9.296 -1.241 1.00 0.00 O ATOM 1558 CB VAL A 96 0.690 8.335 -3.318 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.470 8.523 -4.611 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.493 7.520 -2.316 1.00 0.00 C ATOM 0 H VAL A 96 2.313 10.206 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.416 10.187 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.224 7.787 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.735 7.548 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.856 9.065 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.378 9.091 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.758 6.559 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.402 8.061 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.896 7.355 -1.419 1.00 0.00 H new ATOM 1570 N LEU A 97 0.490 9.492 -0.309 1.00 0.00 N ATOM 1571 CA LEU A 97 0.007 9.293 1.053 1.00 0.00 C ATOM 1572 C LEU A 97 -0.672 10.553 1.580 1.00 0.00 C ATOM 1573 O LEU A 97 -1.859 10.542 1.905 1.00 0.00 O ATOM 1574 CB LEU A 97 1.164 8.900 1.973 1.00 0.00 C ATOM 1575 CG LEU A 97 1.671 7.464 1.838 1.00 0.00 C ATOM 1576 CD1 LEU A 97 2.964 7.279 2.617 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.614 6.478 2.314 1.00 0.00 C ATOM 0 H LEU A 97 1.497 9.640 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.727 8.487 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.997 9.577 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.851 9.058 3.005 1.00 0.00 H new ATOM 0 HG LEU A 97 1.874 7.268 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.310 6.251 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.722 7.959 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.788 7.494 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.992 5.461 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.379 6.673 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.288 6.593 1.712 1.00 0.00 H new ATOM 1589 N LYS A 98 0.089 11.639 1.659 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.438 12.910 2.142 1.00 0.00 C ATOM 1591 C LYS A 98 -1.849 13.150 1.614 1.00 0.00 C ATOM 1592 O LYS A 98 -2.680 13.758 2.288 1.00 0.00 O ATOM 1593 CB LYS A 98 0.479 14.060 1.720 1.00 0.00 C ATOM 1594 CG LYS A 98 1.890 13.946 2.270 1.00 0.00 C ATOM 1595 CD LYS A 98 2.879 14.745 1.438 1.00 0.00 C ATOM 1596 CE LYS A 98 3.033 16.163 1.965 1.00 0.00 C ATOM 1597 NZ LYS A 98 3.462 17.108 0.897 1.00 0.00 N ATOM 0 H LYS A 98 1.074 11.665 1.395 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.479 12.867 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.524 14.097 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.043 15.002 2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.910 14.301 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.191 12.899 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.848 14.246 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.543 14.775 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.086 16.498 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.764 16.173 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.556 18.064 1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.378 16.803 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.752 17.118 0.137 1.00 0.00 H new ATOM 1611 N HIS A 99 -2.112 12.668 0.403 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.424 12.829 -0.215 1.00 0.00 C ATOM 1613 C HIS A 99 -4.124 11.481 -0.362 1.00 0.00 C ATOM 1614 O HIS A 99 -4.663 11.163 -1.422 1.00 0.00 O ATOM 1615 CB HIS A 99 -3.287 13.498 -1.583 1.00 0.00 C ATOM 1616 CG HIS A 99 -2.269 14.596 -1.614 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.935 15.344 -0.505 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.508 15.069 -2.628 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -1.014 16.231 -0.836 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.737 16.085 -2.119 1.00 0.00 N ATOM 0 H HIS A 99 -1.435 12.163 -0.169 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.029 13.464 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.018 12.743 -2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.255 13.903 -1.879 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.507 14.714 -3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.564 16.953 -0.171 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.060 16.637 -2.646 1.00 0.00 H new ATOM 1629 N SER A 100 -4.111 10.693 0.708 1.00 0.00 N ATOM 1630 CA SER A 100 -4.740 9.378 0.696 1.00 0.00 C ATOM 1631 C SER A 100 -5.818 9.281 1.773 1.00 0.00 C ATOM 1632 O SER A 100 -6.958 8.914 1.494 1.00 0.00 O ATOM 1633 CB SER A 100 -3.691 8.285 0.910 1.00 0.00 C ATOM 1634 OG SER A 100 -3.422 8.098 2.288 1.00 0.00 O ATOM 0 H SER A 100 -3.672 10.942 1.594 1.00 0.00 H new ATOM 0 HA SER A 100 -5.209 9.236 -0.278 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.042 7.349 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.771 8.553 0.390 1.00 0.00 H new ATOM 0 HG SER A 100 -2.824 8.807 2.604 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.446 9.615 3.005 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.390 9.560 4.105 1.00 0.00 C ATOM 1642 C GLY A 101 -7.451 10.639 4.014 1.00 0.00 C ATOM 1643 O GLY A 101 -7.246 11.691 3.408 1.00 0.00 O ATOM 0 H GLY A 101 -4.508 9.923 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.871 8.582 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.852 9.663 5.047 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.617 10.382 4.625 1.00 0.00 N ATOM 1648 CA PRO A 102 -9.737 11.327 4.623 1.00 0.00 C ATOM 1649 C PRO A 102 -9.454 12.563 5.469 1.00 0.00 C ATOM 1650 O PRO A 102 -9.816 13.678 5.096 1.00 0.00 O ATOM 1651 CB PRO A 102 -10.886 10.517 5.228 1.00 0.00 C ATOM 1652 CG PRO A 102 -10.219 9.481 6.067 1.00 0.00 C ATOM 1653 CD PRO A 102 -8.931 9.148 5.366 1.00 0.00 C ATOM 0 HA PRO A 102 -9.946 11.708 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.543 11.148 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.501 10.062 4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.030 9.856 7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.848 8.597 6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.143 8.893 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.047 8.296 4.697 1.00 0.00 H new ATOM 1661 N ASN A 103 -8.803 12.358 6.610 1.00 0.00 N ATOM 1662 CA ASN A 103 -8.471 13.457 7.509 1.00 0.00 C ATOM 1663 C ASN A 103 -6.983 13.454 7.846 1.00 0.00 C ATOM 1664 O ASN A 103 -6.244 14.354 7.447 1.00 0.00 O ATOM 1665 CB ASN A 103 -9.297 13.360 8.794 1.00 0.00 C ATOM 1666 CG ASN A 103 -9.449 14.700 9.486 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -9.134 14.840 10.668 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -9.936 15.694 8.751 1.00 0.00 N ATOM 0 H ASN A 103 -8.495 11.441 6.933 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.708 14.392 7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.284 12.962 8.559 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.822 12.654 9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.062 16.619 9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.184 15.532 7.775 1.00 0.00 H new ATOM 1675 N SER A 104 -6.551 12.436 8.583 1.00 0.00 N ATOM 1676 CA SER A 104 -5.152 12.316 8.976 1.00 0.00 C ATOM 1677 C SER A 104 -4.322 11.705 7.852 1.00 0.00 C ATOM 1678 O SER A 104 -4.822 10.908 7.059 1.00 0.00 O ATOM 1679 CB SER A 104 -5.027 11.463 10.240 1.00 0.00 C ATOM 1680 OG SER A 104 -5.407 10.122 9.990 1.00 0.00 O ATOM 0 H SER A 104 -7.150 11.682 8.920 1.00 0.00 H new ATOM 0 HA SER A 104 -4.771 13.316 9.182 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.999 11.492 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.654 11.881 11.028 1.00 0.00 H new ATOM 0 HG SER A 104 -4.651 9.527 10.176 1.00 0.00 H new ATOM 1686 N ALA A 105 -3.050 12.085 7.791 1.00 0.00 N ATOM 1687 CA ALA A 105 -2.148 11.573 6.766 1.00 0.00 C ATOM 1688 C ALA A 105 -1.444 10.305 7.237 1.00 0.00 C ATOM 1689 O ALA A 105 -1.511 9.266 6.580 1.00 0.00 O ATOM 1690 CB ALA A 105 -1.128 12.635 6.383 1.00 0.00 C ATOM 0 H ALA A 105 -2.621 12.745 8.439 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.742 11.321 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.461 12.239 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.645 13.513 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -0.546 12.914 7.261 1.00 0.00 H new ATOM 1696 N SER A 106 -0.769 10.398 8.378 1.00 0.00 N ATOM 1697 CA SER A 106 -0.048 9.259 8.935 1.00 0.00 C ATOM 1698 C SER A 106 -0.145 9.247 10.458 1.00 0.00 C ATOM 1699 O SER A 106 0.311 10.172 11.128 1.00 0.00 O ATOM 1700 CB SER A 106 1.420 9.299 8.507 1.00 0.00 C ATOM 1701 OG SER A 106 2.063 8.065 8.775 1.00 0.00 O ATOM 0 H SER A 106 -0.706 11.250 8.935 1.00 0.00 H new ATOM 0 HA SER A 106 -0.506 8.347 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.486 9.523 7.442 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.934 10.103 9.034 1.00 0.00 H new ATOM 0 HG SER A 106 3.000 8.116 8.491 1.00 0.00 H new ATOM 1707 N GLY A 107 -0.744 8.190 10.998 1.00 0.00 N ATOM 1708 CA GLY A 107 -0.891 8.075 12.437 1.00 0.00 C ATOM 1709 C GLY A 107 -1.614 9.262 13.042 1.00 0.00 C ATOM 1710 O GLY A 107 -0.998 10.233 13.483 1.00 0.00 O ATOM 0 H GLY A 107 -1.130 7.411 10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.438 7.162 12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.094 7.982 12.894 1.00 0.00 H new ATOM 1714 N PRO A 108 -2.953 9.194 13.068 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.790 10.264 13.620 1.00 0.00 C ATOM 1716 C PRO A 108 -3.669 10.370 15.136 1.00 0.00 C ATOM 1717 O PRO A 108 -4.119 9.489 15.868 1.00 0.00 O ATOM 1718 CB PRO A 108 -5.208 9.844 13.225 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.136 8.364 13.072 1.00 0.00 C ATOM 1720 CD PRO A 108 -3.754 8.067 12.560 1.00 0.00 C ATOM 0 HA PRO A 108 -3.500 11.245 13.242 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -5.932 10.128 13.988 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.519 10.323 12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.315 7.864 14.024 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.895 8.006 12.376 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.384 7.111 12.932 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.731 8.016 11.471 1.00 0.00 H new ATOM 1728 N SER A 109 -3.058 11.455 15.602 1.00 0.00 N ATOM 1729 CA SER A 109 -2.874 11.675 17.032 1.00 0.00 C ATOM 1730 C SER A 109 -2.757 13.164 17.341 1.00 0.00 C ATOM 1731 O SER A 109 -2.283 13.946 16.516 1.00 0.00 O ATOM 1732 CB SER A 109 -1.628 10.939 17.526 1.00 0.00 C ATOM 1733 OG SER A 109 -1.857 9.543 17.606 1.00 0.00 O ATOM 0 H SER A 109 -2.682 12.195 15.010 1.00 0.00 H new ATOM 0 HA SER A 109 -3.748 11.282 17.551 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.795 11.136 16.852 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.342 11.320 18.506 1.00 0.00 H new ATOM 0 HG SER A 109 -2.677 9.318 17.119 1.00 0.00 H new ATOM 1739 N SER A 110 -3.191 13.549 18.537 1.00 0.00 N ATOM 1740 CA SER A 110 -3.138 14.945 18.956 1.00 0.00 C ATOM 1741 C SER A 110 -1.769 15.288 19.535 1.00 0.00 C ATOM 1742 O SER A 110 -1.395 14.804 20.603 1.00 0.00 O ATOM 1743 CB SER A 110 -4.228 15.230 19.992 1.00 0.00 C ATOM 1744 OG SER A 110 -3.992 16.460 20.655 1.00 0.00 O ATOM 0 H SER A 110 -3.583 12.914 19.233 1.00 0.00 H new ATOM 0 HA SER A 110 -3.308 15.568 18.078 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.201 15.258 19.502 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.262 14.421 20.721 1.00 0.00 H new ATOM 0 HG SER A 110 -4.703 16.620 21.310 1.00 0.00 H new ATOM 1750 N GLY A 111 -1.024 16.126 18.820 1.00 0.00 N ATOM 1751 CA GLY A 111 0.296 16.520 19.278 1.00 0.00 C ATOM 1752 C GLY A 111 1.047 17.337 18.246 1.00 0.00 C ATOM 1753 O GLY A 111 2.274 17.279 18.171 1.00 0.00 O ATOM 0 H GLY A 111 -1.311 16.539 17.932 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.201 17.099 20.196 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.874 15.629 19.522 1.00 0.00 H new TER 1757 GLY A 111