USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 GLY N :NH3+ -168:sc= 0.864! (180deg=0.247!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0806) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -124:sc= -0.921 (180deg=-1.28) USER MOD Single : A 21 GLN : amide:sc= -3.65 K(o=-3.7,f=-8.9!) USER MOD Single : A 22 THR OG1 : rot -100:sc= 2.27 USER MOD Single : A 26 HIS :FLIP no HE2:sc= -0.736 F(o=-4.4!,f=-0.74) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0967) USER MOD Single : A 36 SER OG : rot -82:sc= 0.847 USER MOD Single : A 42 HIS : no HD1:sc= 1.11 K(o=1.1,f=-5!) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= -0.708 (180deg=-1.74!) USER MOD Single : A 48 ASN : amide:sc=-0.00441 K(o=-0.0044,f=-0.77) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0325 F(o=-0.78,f=-0.033) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.0126 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.353 -24.568 -12.681 1.00 0.00 N ATOM 2 CA GLY A 1 10.871 -25.933 -12.609 1.00 0.00 C ATOM 3 C GLY A 1 10.906 -26.416 -11.185 1.00 0.00 C ATOM 4 O GLY A 1 10.469 -25.695 -10.285 1.00 0.00 O ATOM 0 H1 GLY A 1 10.146 -24.327 -13.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.482 -24.497 -12.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.063 -23.907 -12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.246 -26.596 -13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.874 -25.969 -13.035 1.00 0.00 H new ATOM 10 N PRO A 2 11.408 -27.640 -10.938 1.00 0.00 N ATOM 11 CA PRO A 2 11.448 -28.219 -9.594 1.00 0.00 C ATOM 12 C PRO A 2 12.329 -27.428 -8.623 1.00 0.00 C ATOM 13 O PRO A 2 11.964 -27.235 -7.469 1.00 0.00 O ATOM 14 CB PRO A 2 12.012 -29.631 -9.824 1.00 0.00 C ATOM 15 CG PRO A 2 12.750 -29.539 -11.115 1.00 0.00 C ATOM 16 CD PRO A 2 11.980 -28.555 -11.950 1.00 0.00 C ATOM 0 HA PRO A 2 10.463 -28.212 -9.127 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.673 -29.930 -9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.214 -30.372 -9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.775 -29.203 -10.958 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.805 -30.511 -11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.626 -28.028 -12.652 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.203 -29.044 -12.537 1.00 0.00 H new ATOM 24 N LEU A 3 13.498 -26.990 -9.091 1.00 0.00 N ATOM 25 CA LEU A 3 14.396 -26.185 -8.271 1.00 0.00 C ATOM 26 C LEU A 3 13.782 -24.816 -7.970 1.00 0.00 C ATOM 27 O LEU A 3 13.846 -24.323 -6.838 1.00 0.00 O ATOM 28 CB LEU A 3 15.778 -26.052 -8.926 1.00 0.00 C ATOM 29 CG LEU A 3 16.827 -25.248 -8.144 1.00 0.00 C ATOM 30 CD1 LEU A 3 17.081 -25.871 -6.777 1.00 0.00 C ATOM 31 CD2 LEU A 3 18.119 -25.164 -8.930 1.00 0.00 C ATOM 0 H LEU A 3 13.842 -27.180 -10.032 1.00 0.00 H new ATOM 0 HA LEU A 3 14.536 -26.700 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.173 -27.053 -9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.650 -25.587 -9.904 1.00 0.00 H new ATOM 0 HG LEU A 3 16.440 -24.240 -7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.828 -25.284 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.153 -25.885 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.444 -26.891 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 3 18.853 -24.591 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 3 18.502 -26.169 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.933 -24.672 -9.884 1.00 0.00 H new ATOM 43 N GLY A 4 13.190 -24.212 -8.987 1.00 0.00 N ATOM 44 CA GLY A 4 12.550 -22.927 -8.824 1.00 0.00 C ATOM 45 C GLY A 4 11.978 -22.429 -10.128 1.00 0.00 C ATOM 46 O GLY A 4 12.076 -23.108 -11.144 1.00 0.00 O ATOM 0 H GLY A 4 13.142 -24.594 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.755 -23.006 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.272 -22.205 -8.442 1.00 0.00 H new ATOM 50 N SER A 5 11.378 -21.267 -10.113 1.00 0.00 N ATOM 51 CA SER A 5 10.827 -20.695 -11.321 1.00 0.00 C ATOM 52 C SER A 5 11.578 -19.436 -11.742 1.00 0.00 C ATOM 53 O SER A 5 11.238 -18.804 -12.743 1.00 0.00 O ATOM 54 CB SER A 5 9.332 -20.436 -11.154 1.00 0.00 C ATOM 55 OG SER A 5 9.063 -19.803 -9.911 1.00 0.00 O ATOM 0 H SER A 5 11.257 -20.695 -9.277 1.00 0.00 H new ATOM 0 HA SER A 5 10.955 -21.417 -12.127 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.974 -19.809 -11.971 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.787 -21.378 -11.212 1.00 0.00 H new ATOM 0 HG SER A 5 8.100 -19.645 -9.826 1.00 0.00 H new ATOM 61 N LYS A 6 12.609 -19.083 -10.982 1.00 0.00 N ATOM 62 CA LYS A 6 13.422 -17.929 -11.312 1.00 0.00 C ATOM 63 C LYS A 6 14.388 -18.312 -12.429 1.00 0.00 C ATOM 64 O LYS A 6 14.945 -19.417 -12.412 1.00 0.00 O ATOM 65 CB LYS A 6 14.169 -17.407 -10.077 1.00 0.00 C ATOM 66 CG LYS A 6 14.890 -16.078 -10.297 1.00 0.00 C ATOM 67 CD LYS A 6 15.562 -15.596 -9.022 1.00 0.00 C ATOM 68 CE LYS A 6 16.274 -14.261 -9.218 1.00 0.00 C ATOM 69 NZ LYS A 6 15.336 -13.152 -9.563 1.00 0.00 N ATOM 0 H LYS A 6 12.897 -19.579 -10.139 1.00 0.00 H new ATOM 0 HA LYS A 6 12.781 -17.118 -11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.459 -17.291 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.897 -18.155 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.636 -16.193 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.178 -15.328 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.815 -15.496 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.281 -16.344 -8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.813 -14.004 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.016 -14.363 -10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.845 -12.246 -9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.954 -13.305 -10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.555 -13.132 -8.876 1.00 0.00 H new ATOM 83 N TYR A 7 14.564 -17.404 -13.396 1.00 0.00 N ATOM 84 CA TYR A 7 15.320 -17.649 -14.642 1.00 0.00 C ATOM 85 C TYR A 7 14.525 -18.548 -15.580 1.00 0.00 C ATOM 86 O TYR A 7 15.053 -19.068 -16.563 1.00 0.00 O ATOM 87 CB TYR A 7 16.717 -18.246 -14.404 1.00 0.00 C ATOM 88 CG TYR A 7 17.678 -17.370 -13.638 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.326 -16.314 -14.258 1.00 0.00 C ATOM 90 CD2 TYR A 7 17.946 -17.611 -12.299 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.212 -15.521 -13.567 1.00 0.00 C ATOM 92 CE2 TYR A 7 18.832 -16.827 -11.598 1.00 0.00 C ATOM 93 CZ TYR A 7 19.464 -15.781 -12.238 1.00 0.00 C ATOM 94 OH TYR A 7 20.349 -14.987 -11.541 1.00 0.00 O ATOM 0 H TYR A 7 14.181 -16.460 -13.339 1.00 0.00 H new ATOM 0 HA TYR A 7 15.470 -16.672 -15.101 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.604 -19.187 -13.866 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.161 -18.483 -15.371 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.132 -16.110 -15.301 1.00 0.00 H new ATOM 0 HD2 TYR A 7 17.450 -18.429 -11.798 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.707 -14.699 -14.063 1.00 0.00 H new ATOM 0 HE2 TYR A 7 19.031 -17.028 -10.556 1.00 0.00 H new ATOM 0 HH TYR A 7 20.413 -15.303 -10.616 1.00 0.00 H new ATOM 104 N GLU A 8 13.265 -18.730 -15.267 1.00 0.00 N ATOM 105 CA GLU A 8 12.371 -19.521 -16.072 1.00 0.00 C ATOM 106 C GLU A 8 11.221 -18.657 -16.532 1.00 0.00 C ATOM 107 O GLU A 8 10.574 -17.998 -15.711 1.00 0.00 O ATOM 108 CB GLU A 8 11.829 -20.700 -15.265 1.00 0.00 C ATOM 109 CG GLU A 8 10.901 -21.617 -16.049 1.00 0.00 C ATOM 110 CD GLU A 8 10.355 -22.733 -15.198 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.367 -22.510 -14.481 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.912 -23.847 -15.228 1.00 0.00 O ATOM 0 H GLU A 8 12.829 -18.328 -14.437 1.00 0.00 H new ATOM 0 HA GLU A 8 12.916 -19.906 -16.934 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.668 -21.285 -14.889 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.294 -20.316 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.074 -21.034 -16.455 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.441 -22.039 -16.897 1.00 0.00 H new ATOM 119 N CYS A 9 10.982 -18.649 -17.829 1.00 0.00 N ATOM 120 CA CYS A 9 9.883 -17.915 -18.411 1.00 0.00 C ATOM 121 C CYS A 9 8.560 -18.526 -17.956 1.00 0.00 C ATOM 122 O CYS A 9 8.219 -19.642 -18.357 1.00 0.00 O ATOM 123 CB CYS A 9 10.014 -17.973 -19.935 1.00 0.00 C ATOM 124 SG CYS A 9 8.638 -17.268 -20.899 1.00 0.00 S ATOM 0 H CYS A 9 11.549 -19.155 -18.509 1.00 0.00 H new ATOM 0 HA CYS A 9 9.905 -16.874 -18.087 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.930 -17.454 -20.218 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.135 -19.016 -20.227 1.00 0.00 H new ATOM 129 N PRO A 10 7.801 -17.807 -17.102 1.00 0.00 N ATOM 130 CA PRO A 10 6.548 -18.313 -16.527 1.00 0.00 C ATOM 131 C PRO A 10 5.466 -18.501 -17.576 1.00 0.00 C ATOM 132 O PRO A 10 4.482 -19.193 -17.348 1.00 0.00 O ATOM 133 CB PRO A 10 6.151 -17.235 -15.515 1.00 0.00 C ATOM 134 CG PRO A 10 6.808 -15.996 -16.009 1.00 0.00 C ATOM 135 CD PRO A 10 8.103 -16.437 -16.630 1.00 0.00 C ATOM 0 HA PRO A 10 6.674 -19.298 -16.078 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.069 -17.117 -15.466 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.490 -17.490 -14.511 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.179 -15.484 -16.738 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.985 -15.295 -15.193 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.399 -15.784 -17.451 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.919 -16.431 -15.907 1.00 0.00 H new ATOM 143 N ILE A 11 5.648 -17.865 -18.715 1.00 0.00 N ATOM 144 CA ILE A 11 4.714 -17.977 -19.810 1.00 0.00 C ATOM 145 C ILE A 11 4.700 -19.408 -20.373 1.00 0.00 C ATOM 146 O ILE A 11 3.641 -19.973 -20.629 1.00 0.00 O ATOM 147 CB ILE A 11 5.040 -16.950 -20.919 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.812 -15.530 -20.383 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.171 -17.192 -22.152 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.310 -14.435 -21.301 1.00 0.00 C ATOM 0 H ILE A 11 6.446 -17.258 -18.905 1.00 0.00 H new ATOM 0 HA ILE A 11 3.717 -17.755 -19.429 1.00 0.00 H new ATOM 0 HB ILE A 11 6.084 -17.065 -21.211 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.746 -15.386 -20.209 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.309 -15.434 -19.418 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.417 -16.458 -22.920 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.356 -18.195 -22.536 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.120 -17.095 -21.881 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.111 -13.463 -20.849 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.383 -14.550 -21.456 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.795 -14.502 -22.260 1.00 0.00 H new ATOM 162 N CYS A 12 5.879 -19.994 -20.540 1.00 0.00 N ATOM 163 CA CYS A 12 5.977 -21.331 -21.115 1.00 0.00 C ATOM 164 C CYS A 12 6.313 -22.390 -20.062 1.00 0.00 C ATOM 165 O CYS A 12 6.114 -23.589 -20.286 1.00 0.00 O ATOM 166 CB CYS A 12 7.021 -21.349 -22.224 1.00 0.00 C ATOM 167 SG CYS A 12 8.696 -20.850 -21.701 1.00 0.00 S ATOM 0 H CYS A 12 6.772 -19.571 -20.289 1.00 0.00 H new ATOM 0 HA CYS A 12 4.999 -21.579 -21.528 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.070 -22.354 -22.642 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.692 -20.686 -23.025 1.00 0.00 H new ATOM 172 N LEU A 13 6.819 -21.935 -18.917 1.00 0.00 N ATOM 173 CA LEU A 13 7.273 -22.807 -17.820 1.00 0.00 C ATOM 174 C LEU A 13 8.349 -23.793 -18.273 1.00 0.00 C ATOM 175 O LEU A 13 8.493 -24.875 -17.702 1.00 0.00 O ATOM 176 CB LEU A 13 6.118 -23.582 -17.154 1.00 0.00 C ATOM 177 CG LEU A 13 5.074 -22.768 -16.383 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.002 -22.232 -17.311 1.00 0.00 C ATOM 179 CD2 LEU A 13 4.460 -23.598 -15.269 1.00 0.00 C ATOM 0 H LEU A 13 6.929 -20.941 -18.717 1.00 0.00 H new ATOM 0 HA LEU A 13 7.702 -22.132 -17.080 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.600 -24.146 -17.930 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.552 -24.309 -16.468 1.00 0.00 H new ATOM 0 HG LEU A 13 5.581 -21.914 -15.933 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.276 -21.659 -16.735 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.460 -21.588 -18.062 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.499 -23.064 -17.804 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.722 -23.000 -14.735 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.976 -24.477 -15.695 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.241 -23.913 -14.577 1.00 0.00 H new ATOM 191 N MET A 14 9.099 -23.434 -19.297 1.00 0.00 N ATOM 192 CA MET A 14 10.206 -24.273 -19.728 1.00 0.00 C ATOM 193 C MET A 14 11.525 -23.751 -19.162 1.00 0.00 C ATOM 194 O MET A 14 12.163 -24.412 -18.347 1.00 0.00 O ATOM 195 CB MET A 14 10.282 -24.375 -21.260 1.00 0.00 C ATOM 196 CG MET A 14 9.092 -25.075 -21.898 1.00 0.00 C ATOM 197 SD MET A 14 9.275 -25.295 -23.687 1.00 0.00 S ATOM 198 CE MET A 14 9.269 -23.592 -24.256 1.00 0.00 C ATOM 0 H MET A 14 8.967 -22.581 -19.840 1.00 0.00 H new ATOM 0 HA MET A 14 10.027 -25.276 -19.340 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.365 -23.371 -21.676 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.192 -24.909 -21.533 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.957 -26.050 -21.430 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.189 -24.498 -21.699 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.480 -23.458 -24.996 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.090 -22.927 -23.411 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.233 -23.356 -24.706 1.00 0.00 H new ATOM 208 N ALA A 15 11.902 -22.554 -19.599 1.00 0.00 N ATOM 209 CA ALA A 15 13.136 -21.867 -19.203 1.00 0.00 C ATOM 210 C ALA A 15 13.184 -20.569 -19.984 1.00 0.00 C ATOM 211 O ALA A 15 12.191 -20.204 -20.594 1.00 0.00 O ATOM 212 CB ALA A 15 14.365 -22.717 -19.533 1.00 0.00 C ATOM 0 H ALA A 15 11.343 -22.014 -20.260 1.00 0.00 H new ATOM 0 HA ALA A 15 13.143 -21.687 -18.128 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.267 -22.186 -19.230 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.306 -23.665 -18.999 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.399 -22.906 -20.606 1.00 0.00 H new ATOM 218 N LEU A 16 14.303 -19.869 -19.970 1.00 0.00 N ATOM 219 CA LEU A 16 14.449 -18.703 -20.834 1.00 0.00 C ATOM 220 C LEU A 16 15.145 -19.138 -22.103 1.00 0.00 C ATOM 221 O LEU A 16 16.354 -19.389 -22.099 1.00 0.00 O ATOM 222 CB LEU A 16 15.273 -17.594 -20.152 1.00 0.00 C ATOM 223 CG LEU A 16 14.732 -17.044 -18.833 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.652 -15.969 -18.279 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.336 -16.502 -19.012 1.00 0.00 C ATOM 0 H LEU A 16 15.111 -20.078 -19.384 1.00 0.00 H new ATOM 0 HA LEU A 16 13.461 -18.297 -21.050 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.277 -17.979 -19.973 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.370 -16.764 -20.852 1.00 0.00 H new ATOM 0 HG LEU A 16 14.693 -17.864 -18.117 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.247 -15.592 -17.340 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.641 -16.392 -18.104 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.729 -15.151 -18.995 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.971 -16.116 -18.060 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.349 -15.699 -19.749 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.678 -17.299 -19.357 1.00 0.00 H new ATOM 237 N ARG A 17 14.390 -19.259 -23.183 1.00 0.00 N ATOM 238 CA ARG A 17 14.966 -19.737 -24.429 1.00 0.00 C ATOM 239 C ARG A 17 15.904 -18.713 -25.067 1.00 0.00 C ATOM 240 O ARG A 17 17.009 -19.056 -25.491 1.00 0.00 O ATOM 241 CB ARG A 17 13.875 -20.187 -25.416 1.00 0.00 C ATOM 242 CG ARG A 17 14.429 -20.711 -26.735 1.00 0.00 C ATOM 243 CD ARG A 17 15.303 -21.934 -26.511 1.00 0.00 C ATOM 244 NE ARG A 17 15.867 -22.449 -27.754 1.00 0.00 N ATOM 245 CZ ARG A 17 17.098 -22.154 -28.200 1.00 0.00 C ATOM 246 NH1 ARG A 17 17.848 -21.250 -27.563 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.563 -22.734 -29.293 1.00 0.00 N ATOM 0 H ARG A 17 13.395 -19.037 -23.223 1.00 0.00 H new ATOM 0 HA ARG A 17 15.572 -20.608 -24.180 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.272 -20.966 -24.949 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.210 -19.347 -25.618 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.607 -20.965 -27.404 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.009 -19.930 -27.226 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.112 -21.679 -25.826 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.714 -22.715 -26.031 1.00 0.00 H new ATOM 0 HE ARG A 17 15.290 -23.072 -28.319 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.486 -20.780 -26.733 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.783 -21.030 -27.906 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.986 -23.406 -29.798 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.499 -22.509 -29.631 1.00 0.00 H new ATOM 261 N GLU A 18 15.467 -17.469 -25.120 1.00 0.00 N ATOM 262 CA GLU A 18 16.283 -16.410 -25.705 1.00 0.00 C ATOM 263 C GLU A 18 16.774 -15.453 -24.641 1.00 0.00 C ATOM 264 O GLU A 18 17.715 -14.690 -24.872 1.00 0.00 O ATOM 265 CB GLU A 18 15.484 -15.649 -26.762 1.00 0.00 C ATOM 266 CG GLU A 18 15.090 -16.492 -27.964 1.00 0.00 C ATOM 267 CD GLU A 18 16.284 -16.987 -28.745 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.057 -16.152 -29.254 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.465 -18.211 -28.853 1.00 0.00 O ATOM 0 H GLU A 18 14.559 -17.164 -24.769 1.00 0.00 H new ATOM 0 HA GLU A 18 17.150 -16.873 -26.177 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.582 -15.247 -26.301 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.073 -14.798 -27.105 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.502 -17.346 -27.627 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.450 -15.904 -28.621 1.00 0.00 H new ATOM 276 N ALA A 19 16.135 -15.528 -23.467 1.00 0.00 N ATOM 277 CA ALA A 19 16.416 -14.647 -22.328 1.00 0.00 C ATOM 278 C ALA A 19 16.340 -13.167 -22.710 1.00 0.00 C ATOM 279 O ALA A 19 17.342 -12.551 -23.063 1.00 0.00 O ATOM 280 CB ALA A 19 17.750 -14.993 -21.669 1.00 0.00 C ATOM 0 H ALA A 19 15.400 -16.210 -23.280 1.00 0.00 H new ATOM 0 HA ALA A 19 15.632 -14.821 -21.591 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.926 -14.321 -20.829 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.723 -16.022 -21.311 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.554 -14.883 -22.396 1.00 0.00 H new ATOM 286 N VAL A 20 15.145 -12.610 -22.658 1.00 0.00 N ATOM 287 CA VAL A 20 14.934 -11.211 -22.992 1.00 0.00 C ATOM 288 C VAL A 20 14.470 -10.410 -21.785 1.00 0.00 C ATOM 289 O VAL A 20 13.453 -10.723 -21.158 1.00 0.00 O ATOM 290 CB VAL A 20 13.984 -10.987 -24.202 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.613 -11.529 -25.477 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.617 -11.624 -23.970 1.00 0.00 C ATOM 0 H VAL A 20 14.298 -13.108 -22.385 1.00 0.00 H new ATOM 0 HA VAL A 20 15.911 -10.841 -23.302 1.00 0.00 H new ATOM 0 HB VAL A 20 13.833 -9.913 -24.310 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.936 -11.365 -26.315 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.555 -11.014 -25.665 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.799 -12.597 -25.365 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.981 -11.446 -24.837 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.736 -12.697 -23.821 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.156 -11.184 -23.086 1.00 0.00 H new ATOM 302 N GLN A 21 15.258 -9.425 -21.434 1.00 0.00 N ATOM 303 CA GLN A 21 14.977 -8.536 -20.330 1.00 0.00 C ATOM 304 C GLN A 21 13.979 -7.461 -20.743 1.00 0.00 C ATOM 305 O GLN A 21 14.068 -6.890 -21.835 1.00 0.00 O ATOM 306 CB GLN A 21 16.285 -7.911 -19.814 1.00 0.00 C ATOM 307 CG GLN A 21 16.148 -6.878 -18.686 1.00 0.00 C ATOM 308 CD GLN A 21 15.536 -7.410 -17.403 1.00 0.00 C ATOM 309 OE1 GLN A 21 14.703 -8.296 -17.411 1.00 0.00 O ATOM 310 NE2 GLN A 21 15.969 -6.873 -16.285 1.00 0.00 N ATOM 0 H GLN A 21 16.131 -9.213 -21.916 1.00 0.00 H new ATOM 0 HA GLN A 21 14.526 -9.110 -19.521 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.933 -8.715 -19.465 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.791 -7.435 -20.654 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.135 -6.475 -18.460 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.539 -6.048 -19.045 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.669 -6.131 -16.313 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.606 -7.198 -15.389 1.00 0.00 H new ATOM 319 N THR A 22 13.024 -7.218 -19.878 1.00 0.00 N ATOM 320 CA THR A 22 12.034 -6.187 -20.075 1.00 0.00 C ATOM 321 C THR A 22 12.447 -4.940 -19.294 1.00 0.00 C ATOM 322 O THR A 22 13.240 -5.040 -18.351 1.00 0.00 O ATOM 323 CB THR A 22 10.663 -6.677 -19.568 1.00 0.00 C ATOM 324 OG1 THR A 22 10.801 -7.173 -18.236 1.00 0.00 O ATOM 325 CG2 THR A 22 10.123 -7.785 -20.458 1.00 0.00 C ATOM 0 H THR A 22 12.911 -7.737 -19.007 1.00 0.00 H new ATOM 0 HA THR A 22 11.961 -5.952 -21.137 1.00 0.00 H new ATOM 0 HB THR A 22 9.966 -5.839 -19.588 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.847 -8.152 -18.255 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.155 -8.115 -20.081 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.008 -7.411 -21.475 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.818 -8.624 -20.456 1.00 0.00 H new ATOM 333 N PRO A 23 11.924 -3.754 -19.654 1.00 0.00 N ATOM 334 CA PRO A 23 12.266 -2.500 -18.964 1.00 0.00 C ATOM 335 C PRO A 23 11.882 -2.516 -17.476 1.00 0.00 C ATOM 336 O PRO A 23 12.522 -1.844 -16.654 1.00 0.00 O ATOM 337 CB PRO A 23 11.463 -1.437 -19.735 1.00 0.00 C ATOM 338 CG PRO A 23 10.371 -2.206 -20.390 1.00 0.00 C ATOM 339 CD PRO A 23 10.985 -3.520 -20.764 1.00 0.00 C ATOM 0 HA PRO A 23 13.340 -2.316 -18.962 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.066 -0.675 -19.065 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.084 -0.924 -20.469 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.527 -2.344 -19.715 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.994 -1.683 -21.269 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.239 -4.311 -20.839 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.496 -3.471 -21.726 1.00 0.00 H new ATOM 347 N CYS A 24 10.859 -3.288 -17.121 1.00 0.00 N ATOM 348 CA CYS A 24 10.443 -3.389 -15.738 1.00 0.00 C ATOM 349 C CYS A 24 11.377 -4.305 -14.938 1.00 0.00 C ATOM 350 O CYS A 24 11.522 -4.156 -13.726 1.00 0.00 O ATOM 351 CB CYS A 24 8.975 -3.826 -15.635 1.00 0.00 C ATOM 352 SG CYS A 24 8.534 -5.268 -16.648 1.00 0.00 S ATOM 0 H CYS A 24 10.309 -3.848 -17.773 1.00 0.00 H new ATOM 0 HA CYS A 24 10.516 -2.398 -15.291 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.750 -4.050 -14.592 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.340 -2.989 -15.925 1.00 0.00 H new ATOM 357 N GLY A 25 12.019 -5.237 -15.624 1.00 0.00 N ATOM 358 CA GLY A 25 12.988 -6.093 -14.970 1.00 0.00 C ATOM 359 C GLY A 25 12.532 -7.530 -14.842 1.00 0.00 C ATOM 360 O GLY A 25 12.688 -8.143 -13.789 1.00 0.00 O ATOM 0 H GLY A 25 11.888 -5.417 -16.619 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.923 -6.065 -15.530 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.199 -5.697 -13.977 1.00 0.00 H new ATOM 364 N HIS A 26 11.948 -8.061 -15.894 1.00 0.00 N ATOM 365 CA HIS A 26 11.534 -9.459 -15.915 1.00 0.00 C ATOM 366 C HIS A 26 12.045 -10.088 -17.190 1.00 0.00 C ATOM 367 O HIS A 26 11.907 -9.510 -18.265 1.00 0.00 O ATOM 368 CB HIS A 26 10.005 -9.578 -15.871 1.00 0.00 C ATOM 369 CG HIS A 26 9.369 -8.882 -14.718 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.057 -7.589 -14.560 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 8.976 -9.513 -13.554 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 8.495 -7.443 -13.330 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.449 -8.619 -12.736 1.00 0.00 N flip ATOM 0 H HIS A 26 11.746 -7.549 -16.752 1.00 0.00 H new ATOM 0 HA HIS A 26 11.943 -9.966 -15.041 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.594 -9.174 -16.796 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.735 -10.634 -15.837 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.213 -6.846 -15.241 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.082 -10.567 -13.346 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.143 -6.513 -12.908 1.00 0.00 H new ATOM 380 N ARG A 27 12.628 -11.248 -17.091 1.00 0.00 N ATOM 381 CA ARG A 27 13.180 -11.903 -18.258 1.00 0.00 C ATOM 382 C ARG A 27 12.312 -13.059 -18.728 1.00 0.00 C ATOM 383 O ARG A 27 11.844 -13.872 -17.923 1.00 0.00 O ATOM 384 CB ARG A 27 14.624 -12.319 -18.000 1.00 0.00 C ATOM 385 CG ARG A 27 15.556 -11.130 -17.905 1.00 0.00 C ATOM 386 CD ARG A 27 16.954 -11.508 -17.476 1.00 0.00 C ATOM 387 NE ARG A 27 16.996 -11.911 -16.072 1.00 0.00 N ATOM 388 CZ ARG A 27 18.102 -12.264 -15.419 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.285 -12.215 -16.031 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.028 -12.629 -14.147 1.00 0.00 N ATOM 0 H ARG A 27 12.737 -11.765 -16.219 1.00 0.00 H new ATOM 0 HA ARG A 27 13.187 -11.187 -19.080 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.675 -12.892 -17.074 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.959 -12.977 -18.802 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.601 -10.633 -18.874 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.147 -10.410 -17.196 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.319 -12.324 -18.100 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.624 -10.663 -17.633 1.00 0.00 H new ATOM 0 HE ARG A 27 16.116 -11.923 -15.556 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.345 -11.907 -17.001 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.131 -12.486 -15.529 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.126 -12.639 -13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.873 -12.900 -13.644 1.00 0.00 H new ATOM 404 N PHE A 28 12.089 -13.106 -20.037 1.00 0.00 N ATOM 405 CA PHE A 28 11.226 -14.102 -20.670 1.00 0.00 C ATOM 406 C PHE A 28 11.907 -14.654 -21.920 1.00 0.00 C ATOM 407 O PHE A 28 13.085 -14.371 -22.173 1.00 0.00 O ATOM 408 CB PHE A 28 9.896 -13.456 -21.095 1.00 0.00 C ATOM 409 CG PHE A 28 9.099 -12.839 -19.985 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.292 -13.618 -19.180 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.159 -11.477 -19.749 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.555 -13.050 -18.162 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.427 -10.904 -18.734 1.00 0.00 C ATOM 414 CZ PHE A 28 7.624 -11.690 -17.940 1.00 0.00 C ATOM 0 H PHE A 28 12.505 -12.448 -20.696 1.00 0.00 H new ATOM 0 HA PHE A 28 11.040 -14.902 -19.954 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.106 -12.688 -21.840 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.283 -14.214 -21.583 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.237 -14.683 -19.349 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.788 -10.856 -20.369 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.925 -13.669 -17.540 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.483 -9.839 -18.561 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.048 -11.243 -17.143 1.00 0.00 H new ATOM 424 N CYS A 29 11.182 -15.454 -22.684 1.00 0.00 N ATOM 425 CA CYS A 29 11.639 -15.870 -23.996 1.00 0.00 C ATOM 426 C CYS A 29 11.148 -14.858 -25.019 1.00 0.00 C ATOM 427 O CYS A 29 10.093 -14.245 -24.828 1.00 0.00 O ATOM 428 CB CYS A 29 11.093 -17.244 -24.350 1.00 0.00 C ATOM 429 SG CYS A 29 11.381 -18.525 -23.093 1.00 0.00 S ATOM 0 H CYS A 29 10.272 -15.828 -22.416 1.00 0.00 H new ATOM 0 HA CYS A 29 12.728 -15.923 -23.995 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.020 -17.160 -24.523 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.543 -17.568 -25.288 1.00 0.00 H new ATOM 434 N LYS A 30 11.880 -14.713 -26.109 1.00 0.00 N ATOM 435 CA LYS A 30 11.595 -13.678 -27.100 1.00 0.00 C ATOM 436 C LYS A 30 10.299 -13.967 -27.872 1.00 0.00 C ATOM 437 O LYS A 30 9.765 -13.107 -28.543 1.00 0.00 O ATOM 438 CB LYS A 30 12.782 -13.497 -28.059 1.00 0.00 C ATOM 439 CG LYS A 30 12.642 -12.318 -29.017 1.00 0.00 C ATOM 440 CD LYS A 30 13.869 -12.145 -29.885 1.00 0.00 C ATOM 441 CE LYS A 30 13.722 -10.947 -30.809 1.00 0.00 C ATOM 442 NZ LYS A 30 14.922 -10.756 -31.655 1.00 0.00 N ATOM 0 H LYS A 30 12.682 -15.301 -26.336 1.00 0.00 H new ATOM 0 HA LYS A 30 11.446 -12.742 -26.561 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.691 -13.367 -27.472 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.906 -14.410 -28.641 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.768 -12.467 -29.651 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.470 -11.405 -28.446 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.749 -12.016 -29.255 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.030 -13.046 -30.476 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.847 -11.083 -31.444 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.549 -10.049 -30.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.784 -9.930 -32.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.753 -10.601 -31.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.073 -11.603 -32.240 1.00 0.00 H new ATOM 456 N ALA A 31 9.772 -15.164 -27.738 1.00 0.00 N ATOM 457 CA ALA A 31 8.563 -15.514 -28.465 1.00 0.00 C ATOM 458 C ALA A 31 7.402 -15.715 -27.510 1.00 0.00 C ATOM 459 O ALA A 31 6.237 -15.654 -27.909 1.00 0.00 O ATOM 460 CB ALA A 31 8.790 -16.770 -29.287 1.00 0.00 C ATOM 0 H ALA A 31 10.150 -15.902 -27.145 1.00 0.00 H new ATOM 0 HA ALA A 31 8.316 -14.692 -29.137 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.877 -17.022 -29.827 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.597 -16.598 -29.999 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.059 -17.594 -28.626 1.00 0.00 H new ATOM 466 N CYS A 32 7.713 -15.922 -26.248 1.00 0.00 N ATOM 467 CA CYS A 32 6.688 -16.049 -25.244 1.00 0.00 C ATOM 468 C CYS A 32 6.164 -14.674 -24.845 1.00 0.00 C ATOM 469 O CYS A 32 4.955 -14.454 -24.762 1.00 0.00 O ATOM 470 CB CYS A 32 7.232 -16.788 -24.027 1.00 0.00 C ATOM 471 SG CYS A 32 7.954 -18.419 -24.399 1.00 0.00 S ATOM 0 H CYS A 32 8.667 -16.005 -25.897 1.00 0.00 H new ATOM 0 HA CYS A 32 5.861 -16.625 -25.658 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.991 -16.168 -23.550 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.426 -16.917 -23.305 1.00 0.00 H new ATOM 476 N ILE A 33 7.080 -13.740 -24.613 1.00 0.00 N ATOM 477 CA ILE A 33 6.682 -12.405 -24.203 1.00 0.00 C ATOM 478 C ILE A 33 5.960 -11.660 -25.331 1.00 0.00 C ATOM 479 O ILE A 33 4.955 -11.012 -25.098 1.00 0.00 O ATOM 480 CB ILE A 33 7.864 -11.564 -23.637 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.363 -10.244 -23.029 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.924 -11.300 -24.695 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.434 -10.417 -21.846 1.00 0.00 C ATOM 0 H ILE A 33 8.086 -13.882 -24.701 1.00 0.00 H new ATOM 0 HA ILE A 33 5.978 -12.539 -23.382 1.00 0.00 H new ATOM 0 HB ILE A 33 8.327 -12.152 -22.845 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.223 -9.651 -22.717 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.847 -9.674 -23.802 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.732 -10.711 -24.261 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.321 -12.248 -25.057 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.480 -10.752 -25.526 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.128 -9.438 -21.478 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.553 -10.981 -22.154 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.951 -10.957 -21.053 1.00 0.00 H new ATOM 495 N ILE A 34 6.444 -11.805 -26.561 1.00 0.00 N ATOM 496 CA ILE A 34 5.825 -11.133 -27.698 1.00 0.00 C ATOM 497 C ILE A 34 4.397 -11.627 -27.908 1.00 0.00 C ATOM 498 O ILE A 34 3.469 -10.833 -28.082 1.00 0.00 O ATOM 499 CB ILE A 34 6.659 -11.266 -29.006 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.976 -10.483 -28.878 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.870 -10.784 -30.217 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.902 -10.628 -30.075 1.00 0.00 C ATOM 0 H ILE A 34 7.256 -12.377 -26.795 1.00 0.00 H new ATOM 0 HA ILE A 34 5.796 -10.071 -27.456 1.00 0.00 H new ATOM 0 HB ILE A 34 6.887 -12.321 -29.155 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.746 -9.427 -28.736 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.501 -10.819 -27.983 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.480 -10.890 -31.114 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.964 -11.381 -30.322 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.601 -9.736 -30.083 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.808 -10.046 -29.907 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.164 -11.678 -30.207 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.398 -10.264 -30.971 1.00 0.00 H new ATOM 514 N LYS A 35 4.206 -12.930 -27.817 1.00 0.00 N ATOM 515 CA LYS A 35 2.918 -13.522 -28.124 1.00 0.00 C ATOM 516 C LYS A 35 1.942 -13.371 -26.939 1.00 0.00 C ATOM 517 O LYS A 35 0.781 -13.769 -27.013 1.00 0.00 O ATOM 518 CB LYS A 35 3.095 -14.994 -28.539 1.00 0.00 C ATOM 519 CG LYS A 35 1.822 -15.691 -29.005 1.00 0.00 C ATOM 520 CD LYS A 35 1.264 -15.032 -30.258 1.00 0.00 C ATOM 521 CE LYS A 35 -0.018 -15.703 -30.715 1.00 0.00 C ATOM 522 NZ LYS A 35 0.215 -17.096 -31.170 1.00 0.00 N ATOM 0 H LYS A 35 4.924 -13.597 -27.534 1.00 0.00 H new ATOM 0 HA LYS A 35 2.479 -12.988 -28.967 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.832 -15.043 -29.340 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.505 -15.547 -27.694 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.032 -16.742 -29.206 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.076 -15.661 -28.211 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.074 -13.977 -30.062 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.005 -15.079 -31.056 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.738 -15.705 -29.897 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.460 -15.126 -31.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.645 -17.460 -31.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.003 -17.112 -31.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.450 -17.694 -30.352 1.00 0.00 H new ATOM 536 N SER A 36 2.406 -12.786 -25.859 1.00 0.00 N ATOM 537 CA SER A 36 1.528 -12.497 -24.750 1.00 0.00 C ATOM 538 C SER A 36 1.219 -10.997 -24.662 1.00 0.00 C ATOM 539 O SER A 36 0.215 -10.595 -24.069 1.00 0.00 O ATOM 540 CB SER A 36 2.117 -13.029 -23.447 1.00 0.00 C ATOM 541 OG SER A 36 3.443 -12.584 -23.272 1.00 0.00 O ATOM 0 H SER A 36 3.377 -12.503 -25.725 1.00 0.00 H new ATOM 0 HA SER A 36 0.581 -13.009 -24.921 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.506 -12.700 -22.607 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.093 -14.119 -23.451 1.00 0.00 H new ATOM 0 HG SER A 36 4.051 -13.158 -23.783 1.00 0.00 H new ATOM 547 N ILE A 37 2.041 -10.172 -25.307 1.00 0.00 N ATOM 548 CA ILE A 37 1.852 -8.730 -25.222 1.00 0.00 C ATOM 549 C ILE A 37 1.221 -8.160 -26.482 1.00 0.00 C ATOM 550 O ILE A 37 0.679 -7.065 -26.464 1.00 0.00 O ATOM 551 CB ILE A 37 3.170 -7.973 -24.907 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.215 -8.231 -25.995 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.702 -8.364 -23.535 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.500 -7.453 -25.819 1.00 0.00 C ATOM 0 H ILE A 37 2.828 -10.471 -25.882 1.00 0.00 H new ATOM 0 HA ILE A 37 1.166 -8.575 -24.389 1.00 0.00 H new ATOM 0 HB ILE A 37 2.956 -6.904 -24.892 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.448 -9.296 -26.014 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.783 -7.982 -26.964 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.626 -7.822 -23.335 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.963 -8.115 -22.774 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.898 -9.436 -23.513 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.185 -7.694 -26.632 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.283 -6.385 -25.832 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.959 -7.719 -24.867 1.00 0.00 H new ATOM 566 N ARG A 38 1.271 -8.889 -27.573 1.00 0.00 N ATOM 567 CA ARG A 38 0.571 -8.428 -28.763 1.00 0.00 C ATOM 568 C ARG A 38 -0.685 -9.250 -29.010 1.00 0.00 C ATOM 569 O ARG A 38 -1.349 -9.113 -30.031 1.00 0.00 O ATOM 570 CB ARG A 38 1.482 -8.361 -29.993 1.00 0.00 C ATOM 571 CG ARG A 38 2.000 -9.691 -30.499 1.00 0.00 C ATOM 572 CD ARG A 38 2.906 -9.478 -31.690 1.00 0.00 C ATOM 573 NE ARG A 38 2.194 -8.879 -32.819 1.00 0.00 N ATOM 574 CZ ARG A 38 2.670 -7.886 -33.577 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.816 -7.285 -33.260 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.966 -7.445 -34.616 1.00 0.00 N ATOM 0 H ARG A 38 1.769 -9.774 -27.668 1.00 0.00 H new ATOM 0 HA ARG A 38 0.256 -7.401 -28.577 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.936 -7.873 -30.801 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.335 -7.726 -29.756 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.544 -10.203 -29.706 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.164 -10.333 -30.778 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.737 -8.834 -31.403 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.333 -10.433 -31.996 1.00 0.00 H new ATOM 0 HE ARG A 38 1.269 -9.245 -33.044 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.336 -7.582 -32.434 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.173 -6.528 -33.843 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.062 -7.865 -34.835 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.330 -6.687 -35.194 1.00 0.00 H new ATOM 590 N ASP A 39 -1.007 -10.099 -28.049 1.00 0.00 N ATOM 591 CA ASP A 39 -2.188 -10.947 -28.130 1.00 0.00 C ATOM 592 C ASP A 39 -3.181 -10.568 -27.053 1.00 0.00 C ATOM 593 O ASP A 39 -4.336 -10.285 -27.341 1.00 0.00 O ATOM 594 CB ASP A 39 -1.805 -12.419 -27.989 1.00 0.00 C ATOM 595 CG ASP A 39 -3.007 -13.351 -27.969 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.570 -13.637 -29.045 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.379 -13.828 -26.874 1.00 0.00 O ATOM 0 H ASP A 39 -0.462 -10.221 -27.195 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.649 -10.798 -29.107 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.150 -12.698 -28.815 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.234 -12.553 -27.070 1.00 0.00 H new ATOM 602 N ALA A 40 -2.730 -10.556 -25.812 1.00 0.00 N ATOM 603 CA ALA A 40 -3.578 -10.150 -24.708 1.00 0.00 C ATOM 604 C ALA A 40 -3.613 -8.630 -24.616 1.00 0.00 C ATOM 605 O ALA A 40 -4.622 -7.997 -24.913 1.00 0.00 O ATOM 606 CB ALA A 40 -3.081 -10.759 -23.405 1.00 0.00 C ATOM 0 H ALA A 40 -1.783 -10.822 -25.544 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.591 -10.512 -24.885 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.728 -10.445 -22.586 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.096 -11.846 -23.482 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.062 -10.423 -23.212 1.00 0.00 H new ATOM 612 N GLY A 41 -2.497 -8.061 -24.229 1.00 0.00 N ATOM 613 CA GLY A 41 -2.350 -6.634 -24.164 1.00 0.00 C ATOM 614 C GLY A 41 -0.902 -6.306 -23.999 1.00 0.00 C ATOM 615 O GLY A 41 -0.133 -7.168 -23.568 1.00 0.00 O ATOM 0 H GLY A 41 -1.664 -8.580 -23.950 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.740 -6.173 -25.071 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.925 -6.233 -23.330 1.00 0.00 H new ATOM 619 N HIS A 42 -0.506 -5.093 -24.327 1.00 0.00 N ATOM 620 CA HIS A 42 0.898 -4.706 -24.210 1.00 0.00 C ATOM 621 C HIS A 42 1.289 -4.409 -22.774 1.00 0.00 C ATOM 622 O HIS A 42 1.529 -3.260 -22.387 1.00 0.00 O ATOM 623 CB HIS A 42 1.288 -3.564 -25.170 1.00 0.00 C ATOM 624 CG HIS A 42 1.475 -4.013 -26.595 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.493 -3.925 -27.558 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.544 -4.575 -27.210 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.952 -4.409 -28.700 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.191 -4.810 -28.516 1.00 0.00 N ATOM 0 H HIS A 42 -1.124 -4.360 -24.674 1.00 0.00 H new ATOM 0 HA HIS A 42 1.479 -5.573 -24.524 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.517 -2.794 -25.138 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.212 -3.104 -24.818 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.498 -4.797 -26.756 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.402 -4.465 -29.628 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.791 -5.227 -29.227 1.00 0.00 H new ATOM 637 N LYS A 43 1.292 -5.454 -21.981 1.00 0.00 N ATOM 638 CA LYS A 43 1.680 -5.403 -20.598 1.00 0.00 C ATOM 639 C LYS A 43 2.324 -6.725 -20.238 1.00 0.00 C ATOM 640 O LYS A 43 1.992 -7.758 -20.837 1.00 0.00 O ATOM 641 CB LYS A 43 0.450 -5.153 -19.695 1.00 0.00 C ATOM 642 CG LYS A 43 -0.571 -6.293 -19.676 1.00 0.00 C ATOM 643 CD LYS A 43 -1.742 -6.010 -18.729 1.00 0.00 C ATOM 644 CE LYS A 43 -2.857 -5.195 -19.393 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.443 -3.827 -19.772 1.00 0.00 N ATOM 0 H LYS A 43 1.017 -6.386 -22.291 1.00 0.00 H new ATOM 0 HA LYS A 43 2.382 -4.584 -20.444 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.794 -4.975 -18.676 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.049 -4.242 -20.027 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.953 -6.453 -20.684 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.076 -7.216 -19.373 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.152 -6.955 -18.372 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.375 -5.471 -17.855 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.200 -5.722 -20.283 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.706 -5.133 -18.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.281 -3.213 -19.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.786 -3.453 -19.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.971 -3.851 -20.698 1.00 0.00 H new ATOM 659 N CYS A 44 3.230 -6.710 -19.293 1.00 0.00 N ATOM 660 CA CYS A 44 3.851 -7.935 -18.853 1.00 0.00 C ATOM 661 C CYS A 44 2.886 -8.719 -17.961 1.00 0.00 C ATOM 662 O CYS A 44 2.320 -8.169 -17.019 1.00 0.00 O ATOM 663 CB CYS A 44 5.173 -7.638 -18.141 1.00 0.00 C ATOM 664 SG CYS A 44 5.087 -6.275 -16.937 1.00 0.00 S ATOM 0 H CYS A 44 3.553 -5.869 -18.815 1.00 0.00 H new ATOM 0 HA CYS A 44 4.081 -8.555 -19.720 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.506 -8.540 -17.628 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.929 -7.399 -18.889 1.00 0.00 H new ATOM 669 N PRO A 45 2.684 -10.019 -18.246 1.00 0.00 N ATOM 670 CA PRO A 45 1.686 -10.851 -17.542 1.00 0.00 C ATOM 671 C PRO A 45 1.963 -10.994 -16.043 1.00 0.00 C ATOM 672 O PRO A 45 1.060 -11.285 -15.258 1.00 0.00 O ATOM 673 CB PRO A 45 1.794 -12.212 -18.244 1.00 0.00 C ATOM 674 CG PRO A 45 3.151 -12.207 -18.859 1.00 0.00 C ATOM 675 CD PRO A 45 3.397 -10.789 -19.281 1.00 0.00 C ATOM 0 HA PRO A 45 0.693 -10.404 -17.591 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.682 -13.034 -17.537 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.017 -12.332 -18.998 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.906 -12.540 -18.147 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.197 -12.884 -19.712 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.460 -10.551 -19.303 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.005 -10.589 -20.278 1.00 0.00 H new ATOM 683 N VAL A 46 3.208 -10.792 -15.656 1.00 0.00 N ATOM 684 CA VAL A 46 3.605 -10.913 -14.265 1.00 0.00 C ATOM 685 C VAL A 46 3.061 -9.751 -13.421 1.00 0.00 C ATOM 686 O VAL A 46 2.137 -9.920 -12.620 1.00 0.00 O ATOM 687 CB VAL A 46 5.149 -10.972 -14.117 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.559 -11.120 -12.654 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.731 -12.099 -14.947 1.00 0.00 C ATOM 0 H VAL A 46 3.967 -10.542 -16.290 1.00 0.00 H new ATOM 0 HA VAL A 46 3.178 -11.847 -13.900 1.00 0.00 H new ATOM 0 HB VAL A 46 5.551 -10.029 -14.488 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.646 -11.158 -12.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.188 -10.268 -12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.136 -12.039 -12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.814 -12.118 -14.826 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.312 -13.049 -14.616 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.486 -11.941 -15.997 1.00 0.00 H new ATOM 699 N ASP A 47 3.638 -8.583 -13.618 1.00 0.00 N ATOM 700 CA ASP A 47 3.366 -7.410 -12.794 1.00 0.00 C ATOM 701 C ASP A 47 2.478 -6.372 -13.484 1.00 0.00 C ATOM 702 O ASP A 47 2.213 -5.313 -12.913 1.00 0.00 O ATOM 703 CB ASP A 47 4.697 -6.768 -12.379 1.00 0.00 C ATOM 704 CG ASP A 47 5.613 -6.505 -13.561 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.836 -7.413 -14.384 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.148 -5.404 -13.703 1.00 0.00 O ATOM 0 H ASP A 47 4.317 -8.414 -14.361 1.00 0.00 H new ATOM 0 HA ASP A 47 2.811 -7.753 -11.921 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.498 -5.829 -11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.205 -7.421 -11.669 1.00 0.00 H new ATOM 711 N ASN A 48 1.999 -6.690 -14.682 1.00 0.00 N ATOM 712 CA ASN A 48 1.030 -5.850 -15.413 1.00 0.00 C ATOM 713 C ASN A 48 1.525 -4.421 -15.681 1.00 0.00 C ATOM 714 O ASN A 48 0.744 -3.469 -15.655 1.00 0.00 O ATOM 715 CB ASN A 48 -0.332 -5.837 -14.702 1.00 0.00 C ATOM 716 CG ASN A 48 -1.049 -7.177 -14.768 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.934 -7.918 -15.747 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.794 -7.500 -13.724 1.00 0.00 N ATOM 0 H ASN A 48 2.266 -7.537 -15.183 1.00 0.00 H new ATOM 0 HA ASN A 48 0.915 -6.313 -16.393 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.188 -5.559 -13.658 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.963 -5.071 -15.152 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.297 -8.387 -13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.866 -6.862 -12.932 1.00 0.00 H new ATOM 725 N GLU A 49 2.809 -4.277 -15.947 1.00 0.00 N ATOM 726 CA GLU A 49 3.370 -2.994 -16.367 1.00 0.00 C ATOM 727 C GLU A 49 3.249 -2.873 -17.869 1.00 0.00 C ATOM 728 O GLU A 49 3.234 -3.890 -18.564 1.00 0.00 O ATOM 729 CB GLU A 49 4.838 -2.880 -15.953 1.00 0.00 C ATOM 730 CG GLU A 49 5.054 -2.730 -14.465 1.00 0.00 C ATOM 731 CD GLU A 49 4.545 -1.415 -13.942 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.085 -0.362 -14.339 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.599 -1.411 -13.128 1.00 0.00 O ATOM 0 H GLU A 49 3.491 -5.032 -15.881 1.00 0.00 H new ATOM 0 HA GLU A 49 2.818 -2.189 -15.882 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.371 -3.766 -16.298 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.281 -2.023 -16.461 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.551 -3.545 -13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.118 -2.819 -14.244 1.00 0.00 H new ATOM 740 N ILE A 50 3.150 -1.651 -18.375 1.00 0.00 N ATOM 741 CA ILE A 50 3.015 -1.457 -19.816 1.00 0.00 C ATOM 742 C ILE A 50 4.297 -1.910 -20.504 1.00 0.00 C ATOM 743 O ILE A 50 5.384 -1.380 -20.243 1.00 0.00 O ATOM 744 CB ILE A 50 2.687 0.020 -20.212 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.319 0.473 -19.659 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.700 0.179 -21.722 1.00 0.00 C ATOM 747 CD1 ILE A 50 1.292 0.749 -18.171 1.00 0.00 C ATOM 0 H ILE A 50 3.160 -0.793 -17.823 1.00 0.00 H new ATOM 0 HA ILE A 50 2.168 -2.059 -20.146 1.00 0.00 H new ATOM 0 HB ILE A 50 3.458 0.651 -19.770 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.011 1.376 -20.187 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.580 -0.296 -19.885 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.470 1.212 -21.981 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.686 -0.081 -22.107 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.953 -0.481 -22.164 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.290 1.061 -17.877 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.564 -0.156 -17.628 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.002 1.541 -17.935 1.00 0.00 H new ATOM 759 N LEU A 51 4.163 -2.880 -21.372 1.00 0.00 N ATOM 760 CA LEU A 51 5.301 -3.512 -21.965 1.00 0.00 C ATOM 761 C LEU A 51 5.244 -3.316 -23.472 1.00 0.00 C ATOM 762 O LEU A 51 4.275 -3.697 -24.124 1.00 0.00 O ATOM 763 CB LEU A 51 5.291 -5.009 -21.591 1.00 0.00 C ATOM 764 CG LEU A 51 6.609 -5.797 -21.698 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.189 -5.778 -23.095 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.616 -5.262 -20.703 1.00 0.00 C ATOM 0 H LEU A 51 3.264 -3.249 -21.683 1.00 0.00 H new ATOM 0 HA LEU A 51 6.227 -3.071 -21.596 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.936 -5.093 -20.564 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.555 -5.505 -22.224 1.00 0.00 H new ATOM 0 HG LEU A 51 6.381 -6.837 -21.465 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.117 -6.349 -23.111 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.477 -6.223 -23.791 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.391 -4.749 -23.391 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.545 -5.826 -20.787 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.810 -4.210 -20.912 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.219 -5.364 -19.693 1.00 0.00 H new ATOM 778 N LEU A 52 6.277 -2.719 -24.014 1.00 0.00 N ATOM 779 CA LEU A 52 6.341 -2.461 -25.433 1.00 0.00 C ATOM 780 C LEU A 52 7.305 -3.440 -26.079 1.00 0.00 C ATOM 781 O LEU A 52 8.354 -3.745 -25.508 1.00 0.00 O ATOM 782 CB LEU A 52 6.785 -1.011 -25.727 1.00 0.00 C ATOM 783 CG LEU A 52 5.913 0.135 -25.169 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.436 -0.072 -25.476 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.155 0.359 -23.679 1.00 0.00 C ATOM 0 H LEU A 52 7.092 -2.400 -23.489 1.00 0.00 H new ATOM 0 HA LEU A 52 5.343 -2.592 -25.850 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.795 -0.884 -25.337 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.844 -0.891 -26.809 1.00 0.00 H new ATOM 0 HG LEU A 52 6.220 1.045 -25.684 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.859 0.757 -25.066 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.291 -0.115 -26.555 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.098 -1.006 -25.027 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.522 1.173 -23.326 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.914 -0.552 -23.130 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.202 0.615 -23.515 1.00 0.00 H new ATOM 797 N GLU A 53 6.956 -3.912 -27.267 1.00 0.00 N ATOM 798 CA GLU A 53 7.722 -4.941 -27.974 1.00 0.00 C ATOM 799 C GLU A 53 9.120 -4.438 -28.325 1.00 0.00 C ATOM 800 O GLU A 53 10.102 -5.168 -28.230 1.00 0.00 O ATOM 801 CB GLU A 53 6.975 -5.325 -29.243 1.00 0.00 C ATOM 802 CG GLU A 53 5.667 -6.046 -28.987 1.00 0.00 C ATOM 803 CD GLU A 53 4.897 -6.310 -30.247 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.331 -7.154 -31.055 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.842 -5.666 -30.439 1.00 0.00 O ATOM 0 H GLU A 53 6.130 -3.594 -27.774 1.00 0.00 H new ATOM 0 HA GLU A 53 7.831 -5.811 -27.326 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.775 -4.424 -29.823 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.617 -5.961 -29.853 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.870 -6.992 -28.485 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.055 -5.451 -28.310 1.00 0.00 H new ATOM 812 N ASN A 54 9.189 -3.187 -28.719 1.00 0.00 N ATOM 813 CA ASN A 54 10.437 -2.534 -29.090 1.00 0.00 C ATOM 814 C ASN A 54 11.392 -2.437 -27.904 1.00 0.00 C ATOM 815 O ASN A 54 12.607 -2.456 -28.069 1.00 0.00 O ATOM 816 CB ASN A 54 10.149 -1.145 -29.668 1.00 0.00 C ATOM 817 CG ASN A 54 11.402 -0.353 -29.991 1.00 0.00 C ATOM 818 OD1 ASN A 54 11.912 0.389 -29.157 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.899 -0.493 -31.199 1.00 0.00 N ATOM 0 H ASN A 54 8.372 -2.581 -28.794 1.00 0.00 H new ATOM 0 HA ASN A 54 10.925 -3.142 -29.852 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.553 -1.254 -30.574 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.546 -0.582 -28.956 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.736 0.024 -31.469 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.448 -1.119 -31.866 1.00 0.00 H new ATOM 826 N GLN A 55 10.832 -2.342 -26.714 1.00 0.00 N ATOM 827 CA GLN A 55 11.619 -2.160 -25.493 1.00 0.00 C ATOM 828 C GLN A 55 12.293 -3.462 -25.042 1.00 0.00 C ATOM 829 O GLN A 55 13.084 -3.459 -24.107 1.00 0.00 O ATOM 830 CB GLN A 55 10.758 -1.576 -24.365 1.00 0.00 C ATOM 831 CG GLN A 55 10.198 -0.190 -24.667 1.00 0.00 C ATOM 832 CD GLN A 55 11.266 0.884 -24.828 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.356 0.769 -24.091 1.00 0.00 O flip ATOM 834 NE2 GLN A 55 11.092 1.829 -25.601 1.00 0.00 N flip ATOM 0 H GLN A 55 9.825 -2.388 -26.558 1.00 0.00 H new ATOM 0 HA GLN A 55 12.411 -1.448 -25.727 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.930 -2.256 -24.165 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.356 -1.525 -23.455 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.605 -0.239 -25.580 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.522 0.101 -23.863 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.237 1.884 -26.154 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.803 2.555 -25.687 1.00 0.00 H new ATOM 843 N LEU A 56 11.952 -4.569 -25.691 1.00 0.00 N ATOM 844 CA LEU A 56 12.540 -5.869 -25.364 1.00 0.00 C ATOM 845 C LEU A 56 13.976 -5.956 -25.866 1.00 0.00 C ATOM 846 O LEU A 56 14.292 -5.473 -26.957 1.00 0.00 O ATOM 847 CB LEU A 56 11.722 -6.992 -26.004 1.00 0.00 C ATOM 848 CG LEU A 56 10.292 -7.163 -25.496 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.555 -8.193 -26.332 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.306 -7.585 -24.042 1.00 0.00 C ATOM 0 H LEU A 56 11.270 -4.596 -26.449 1.00 0.00 H new ATOM 0 HA LEU A 56 12.533 -5.977 -24.279 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.684 -6.817 -27.079 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.253 -7.931 -25.852 1.00 0.00 H new ATOM 0 HG LEU A 56 9.773 -6.209 -25.583 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.537 -8.304 -25.958 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.526 -7.865 -27.371 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.072 -9.151 -26.268 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.282 -7.705 -23.688 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.837 -8.532 -23.943 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.809 -6.823 -23.447 1.00 0.00 H new ATOM 862 N PHE A 57 14.836 -6.575 -25.080 1.00 0.00 N ATOM 863 CA PHE A 57 16.229 -6.763 -25.453 1.00 0.00 C ATOM 864 C PHE A 57 16.800 -8.013 -24.792 1.00 0.00 C ATOM 865 O PHE A 57 16.379 -8.377 -23.701 1.00 0.00 O ATOM 866 CB PHE A 57 17.076 -5.512 -25.117 1.00 0.00 C ATOM 867 CG PHE A 57 17.001 -5.042 -23.683 1.00 0.00 C ATOM 868 CD1 PHE A 57 16.015 -4.154 -23.279 1.00 0.00 C ATOM 869 CD2 PHE A 57 17.923 -5.475 -22.746 1.00 0.00 C ATOM 870 CE1 PHE A 57 15.949 -3.713 -21.977 1.00 0.00 C ATOM 871 CE2 PHE A 57 17.858 -5.037 -21.438 1.00 0.00 C ATOM 872 CZ PHE A 57 16.872 -4.154 -21.054 1.00 0.00 C ATOM 0 H PHE A 57 14.592 -6.961 -24.168 1.00 0.00 H new ATOM 0 HA PHE A 57 16.272 -6.903 -26.533 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.118 -5.725 -25.357 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.759 -4.695 -25.766 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.288 -3.803 -23.997 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.702 -6.163 -23.041 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.174 -3.022 -21.679 1.00 0.00 H new ATOM 0 HE2 PHE A 57 18.580 -5.387 -20.715 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.823 -3.809 -20.032 1.00 0.00 H new ATOM 882 N PRO A 58 17.748 -8.699 -25.456 1.00 0.00 N ATOM 883 CA PRO A 58 18.394 -9.900 -24.906 1.00 0.00 C ATOM 884 C PRO A 58 19.149 -9.607 -23.607 1.00 0.00 C ATOM 885 O PRO A 58 19.702 -8.518 -23.431 1.00 0.00 O ATOM 886 CB PRO A 58 19.386 -10.312 -26.005 1.00 0.00 C ATOM 887 CG PRO A 58 18.874 -9.661 -27.236 1.00 0.00 C ATOM 888 CD PRO A 58 18.274 -8.366 -26.791 1.00 0.00 C ATOM 0 HA PRO A 58 17.665 -10.671 -24.655 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.397 -9.978 -25.772 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.426 -11.396 -26.117 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.677 -9.494 -27.953 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.131 -10.287 -27.730 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.016 -7.569 -26.747 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.486 -8.031 -27.465 1.00 0.00 H new ATOM 896 N ASP A 59 19.161 -10.574 -22.705 1.00 0.00 N ATOM 897 CA ASP A 59 19.881 -10.445 -21.437 1.00 0.00 C ATOM 898 C ASP A 59 21.380 -10.309 -21.681 1.00 0.00 C ATOM 899 O ASP A 59 22.046 -9.495 -21.054 1.00 0.00 O ATOM 900 CB ASP A 59 19.615 -11.652 -20.533 1.00 0.00 C ATOM 901 CG ASP A 59 20.354 -11.577 -19.204 1.00 0.00 C ATOM 902 OD1 ASP A 59 19.935 -10.800 -18.316 1.00 0.00 O ATOM 903 OD2 ASP A 59 21.341 -12.324 -19.021 1.00 0.00 O ATOM 0 H ASP A 59 18.679 -11.465 -22.823 1.00 0.00 H new ATOM 0 HA ASP A 59 19.518 -9.546 -20.939 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.544 -11.727 -20.343 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.911 -12.562 -21.055 1.00 0.00 H new ATOM 908 N ASN A 60 21.903 -11.110 -22.594 1.00 0.00 N ATOM 909 CA ASN A 60 23.324 -11.057 -22.926 1.00 0.00 C ATOM 910 C ASN A 60 23.699 -9.731 -23.584 1.00 0.00 C ATOM 911 O ASN A 60 24.737 -9.141 -23.271 1.00 0.00 O ATOM 912 CB ASN A 60 23.728 -12.214 -23.844 1.00 0.00 C ATOM 913 CG ASN A 60 25.219 -12.193 -24.172 1.00 0.00 C ATOM 914 OD1 ASN A 60 26.058 -11.855 -23.326 1.00 0.00 O ATOM 915 ND2 ASN A 60 25.559 -12.516 -25.402 1.00 0.00 N ATOM 0 H ASN A 60 21.370 -11.804 -23.119 1.00 0.00 H new ATOM 0 HA ASN A 60 23.867 -11.147 -21.985 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.476 -13.161 -23.366 1.00 0.00 H new ATOM 0 HB3 ASN A 60 23.153 -12.160 -24.768 1.00 0.00 H new ATOM 0 HD21 ASN A 60 26.539 -12.492 -25.683 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.842 -12.790 -26.074 1.00 0.00 H new ATOM 922 N PHE A 61 22.847 -9.251 -24.473 1.00 0.00 N ATOM 923 CA PHE A 61 23.173 -8.064 -25.230 1.00 0.00 C ATOM 924 C PHE A 61 22.793 -6.799 -24.489 1.00 0.00 C ATOM 925 O PHE A 61 21.622 -6.548 -24.207 1.00 0.00 O ATOM 926 CB PHE A 61 22.537 -8.093 -26.630 1.00 0.00 C ATOM 927 CG PHE A 61 22.760 -6.829 -27.419 1.00 0.00 C ATOM 928 CD1 PHE A 61 24.024 -6.488 -27.868 1.00 0.00 C ATOM 929 CD2 PHE A 61 21.707 -5.972 -27.688 1.00 0.00 C ATOM 930 CE1 PHE A 61 24.228 -5.321 -28.575 1.00 0.00 C ATOM 931 CE2 PHE A 61 21.907 -4.802 -28.392 1.00 0.00 C ATOM 932 CZ PHE A 61 23.170 -4.476 -28.837 1.00 0.00 C ATOM 0 H PHE A 61 21.937 -9.661 -24.684 1.00 0.00 H new ATOM 0 HA PHE A 61 24.256 -8.058 -25.355 1.00 0.00 H new ATOM 0 HB2 PHE A 61 22.944 -8.936 -27.188 1.00 0.00 H new ATOM 0 HB3 PHE A 61 21.465 -8.265 -26.530 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.859 -7.142 -27.663 1.00 0.00 H new ATOM 0 HD2 PHE A 61 20.715 -6.222 -27.342 1.00 0.00 H new ATOM 0 HE1 PHE A 61 25.218 -5.069 -28.924 1.00 0.00 H new ATOM 0 HE2 PHE A 61 21.075 -4.143 -28.594 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.331 -3.562 -29.389 1.00 0.00 H new ATOM 942 N ALA A 62 23.785 -6.004 -24.196 1.00 0.00 N ATOM 943 CA ALA A 62 23.593 -4.742 -23.543 1.00 0.00 C ATOM 944 C ALA A 62 24.070 -3.630 -24.457 1.00 0.00 C ATOM 945 O ALA A 62 24.964 -3.834 -25.289 1.00 0.00 O ATOM 946 CB ALA A 62 24.344 -4.707 -22.221 1.00 0.00 C ATOM 0 H ALA A 62 24.760 -6.218 -24.407 1.00 0.00 H new ATOM 0 HA ALA A 62 22.533 -4.603 -23.331 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.187 -3.742 -21.739 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.975 -5.501 -21.572 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.409 -4.853 -22.403 1.00 0.00 H new ATOM 952 N LYS A 63 23.469 -2.483 -24.326 1.00 0.00 N ATOM 953 CA LYS A 63 23.838 -1.335 -25.108 1.00 0.00 C ATOM 954 C LYS A 63 23.880 -0.092 -24.228 1.00 0.00 C ATOM 955 O LYS A 63 22.930 0.707 -24.240 1.00 0.00 O ATOM 956 CB LYS A 63 22.899 -1.181 -26.326 1.00 0.00 C ATOM 957 CG LYS A 63 21.417 -1.117 -25.980 1.00 0.00 C ATOM 958 CD LYS A 63 20.552 -1.038 -27.226 1.00 0.00 C ATOM 959 CE LYS A 63 19.077 -0.909 -26.864 1.00 0.00 C ATOM 960 NZ LYS A 63 18.589 -2.068 -26.071 1.00 0.00 N ATOM 961 OXT LYS A 63 24.866 0.061 -23.490 1.00 0.00 O ATOM 0 H LYS A 63 22.705 -2.315 -23.671 1.00 0.00 H new ATOM 0 HA LYS A 63 24.842 -1.475 -25.508 1.00 0.00 H new ATOM 0 HB2 LYS A 63 23.172 -0.275 -26.866 1.00 0.00 H new ATOM 0 HB3 LYS A 63 23.065 -2.018 -27.004 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.140 -1.998 -25.400 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.228 -0.248 -25.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.857 -0.184 -27.830 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.703 -1.930 -27.835 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.923 0.008 -26.296 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.487 -0.821 -27.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.552 -2.033 -26.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.877 -2.953 -26.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.996 -2.031 -25.115 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.173 -18.911 -22.595 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.783 -6.111 -15.442 1.00 0.00 ZN