USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=16 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 Set 1.1: A 46 SER OG : rot 180:sc= 0.249 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -122:sc= -0.732 (180deg=-2.83!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.419 K(o=-0.42,f=-4.4!) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000345) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.12 USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= -0.356 (180deg=-1.37) USER MOD Single : A 19 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= 1.24 (180deg=-0.368) USER MOD Single : A 24 MET CE :methyl -136:sc= -2.53! (180deg=-6.47!) USER MOD Single : A 26 MET CE :methyl -126:sc= 0 (180deg=-0.00626) USER MOD Single : A 27 MET CE :methyl -164:sc= 0 (180deg=-0.102) USER MOD Single : A 28 SER OG : rot 180:sc= -0.188 USER MOD Single : A 31 THR OG1 : rot -7:sc= 1.05 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00925) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0397 K(o=-0.04,f=-2.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.355 X(o=-0.36,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 60 ASN : amide:sc= -13.5! C(o=-13!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 7.213 11.924 -1.080 1.00 0.00 N ATOM 2 CA LEU A 1 6.515 10.830 -0.429 1.00 0.00 C ATOM 3 C LEU A 1 6.981 9.503 -1.032 1.00 0.00 C ATOM 4 O LEU A 1 6.643 9.182 -2.170 1.00 0.00 O ATOM 5 CB LEU A 1 5.001 11.040 -0.500 1.00 0.00 C ATOM 6 CG LEU A 1 4.402 11.962 0.564 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.592 11.379 1.965 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.973 13.377 0.448 1.00 0.00 C ATOM 0 H1 LEU A 1 7.729 12.479 -0.368 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.886 11.542 -1.775 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.525 12.536 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 1 6.759 10.802 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.756 11.444 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.515 10.067 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 1 3.329 12.033 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.157 12.054 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.098 10.409 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.656 11.258 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.531 14.012 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.054 13.345 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.741 13.783 -0.537 1.00 0.00 H new ATOM 20 N LYS A 2 7.748 8.766 -0.242 1.00 0.00 N ATOM 21 CA LYS A 2 8.263 7.482 -0.684 1.00 0.00 C ATOM 22 C LYS A 2 7.885 6.407 0.337 1.00 0.00 C ATOM 23 O LYS A 2 7.867 6.666 1.539 1.00 0.00 O ATOM 24 CB LYS A 2 9.766 7.572 -0.955 1.00 0.00 C ATOM 25 CG LYS A 2 10.067 8.606 -2.041 1.00 0.00 C ATOM 26 CD LYS A 2 11.124 9.606 -1.568 1.00 0.00 C ATOM 27 CE LYS A 2 11.026 10.919 -2.349 1.00 0.00 C ATOM 28 NZ LYS A 2 12.267 11.157 -3.118 1.00 0.00 N ATOM 0 H LYS A 2 8.025 9.034 0.702 1.00 0.00 H new ATOM 0 HA LYS A 2 7.809 7.195 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.289 7.841 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.143 6.596 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.416 8.101 -2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.153 9.136 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.994 9.801 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.118 9.177 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.173 10.884 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.853 11.746 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.184 12.051 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.075 11.211 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.415 10.376 -3.788 1.00 0.00 H new ATOM 42 N CYS A 3 7.591 5.223 -0.180 1.00 0.00 N ATOM 43 CA CYS A 3 7.214 4.107 0.672 1.00 0.00 C ATOM 44 C CYS A 3 7.945 2.857 0.178 1.00 0.00 C ATOM 45 O CYS A 3 8.460 2.836 -0.939 1.00 0.00 O ATOM 46 CB CYS A 3 5.698 3.907 0.703 1.00 0.00 C ATOM 47 SG CYS A 3 4.814 4.923 1.942 1.00 0.00 S ATOM 0 H CYS A 3 7.606 5.012 -1.178 1.00 0.00 H new ATOM 0 HA CYS A 3 7.508 4.315 1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.296 4.133 -0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.488 2.856 0.900 1.00 0.00 H new ATOM 52 N ASN A 4 7.968 1.847 1.034 1.00 0.00 N ATOM 53 CA ASN A 4 8.627 0.596 0.699 1.00 0.00 C ATOM 54 C ASN A 4 7.811 -0.135 -0.369 1.00 0.00 C ATOM 55 O ASN A 4 6.590 -0.001 -0.422 1.00 0.00 O ATOM 56 CB ASN A 4 8.731 -0.317 1.922 1.00 0.00 C ATOM 57 CG ASN A 4 9.074 0.486 3.178 1.00 0.00 C ATOM 58 OD1 ASN A 4 9.914 1.371 3.170 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.381 0.128 4.256 1.00 0.00 N ATOM 0 H ASN A 4 7.541 1.869 1.960 1.00 0.00 H new ATOM 0 HA ASN A 4 9.628 0.829 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.788 -0.843 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.495 -1.075 1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.539 0.603 5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.692 -0.622 4.194 1.00 0.00 H new ATOM 66 N LYS A 5 8.520 -0.893 -1.194 1.00 0.00 N ATOM 67 CA LYS A 5 7.877 -1.645 -2.257 1.00 0.00 C ATOM 68 C LYS A 5 7.631 -3.080 -1.784 1.00 0.00 C ATOM 69 O LYS A 5 7.679 -3.358 -0.587 1.00 0.00 O ATOM 70 CB LYS A 5 8.695 -1.555 -3.547 1.00 0.00 C ATOM 71 CG LYS A 5 8.881 -0.099 -3.977 1.00 0.00 C ATOM 72 CD LYS A 5 7.853 0.295 -5.039 1.00 0.00 C ATOM 73 CE LYS A 5 6.718 1.115 -4.424 1.00 0.00 C ATOM 74 NZ LYS A 5 6.407 2.288 -5.273 1.00 0.00 N ATOM 0 H LYS A 5 9.533 -1.002 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 5 6.904 -1.215 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.669 -2.021 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.194 -2.111 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.783 0.555 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.888 0.042 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.340 0.873 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.447 -0.601 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.830 0.493 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.001 1.446 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.623 2.825 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.246 2.898 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.133 1.966 -6.223 1.00 0.00 H new ATOM 88 N LEU A 6 7.370 -3.950 -2.748 1.00 0.00 N ATOM 89 CA LEU A 6 7.115 -5.348 -2.446 1.00 0.00 C ATOM 90 C LEU A 6 8.120 -5.829 -1.396 1.00 0.00 C ATOM 91 O LEU A 6 7.737 -6.439 -0.399 1.00 0.00 O ATOM 92 CB LEU A 6 7.117 -6.183 -3.727 1.00 0.00 C ATOM 93 CG LEU A 6 6.144 -7.363 -3.761 1.00 0.00 C ATOM 94 CD1 LEU A 6 6.439 -8.350 -2.629 1.00 0.00 C ATOM 95 CD2 LEU A 6 4.693 -6.878 -3.734 1.00 0.00 C ATOM 0 H LEU A 6 7.330 -3.714 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 6 6.121 -5.470 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.889 -5.525 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.125 -6.565 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 6 6.288 -7.897 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.733 -9.179 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.455 -8.732 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.340 -7.843 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.022 -7.737 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.517 -6.306 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.505 -6.245 -4.601 1.00 0.00 H new ATOM 107 N VAL A 7 9.386 -5.537 -1.658 1.00 0.00 N ATOM 108 CA VAL A 7 10.447 -5.933 -0.749 1.00 0.00 C ATOM 109 C VAL A 7 10.799 -4.754 0.161 1.00 0.00 C ATOM 110 O VAL A 7 11.374 -3.765 -0.292 1.00 0.00 O ATOM 111 CB VAL A 7 11.647 -6.454 -1.542 1.00 0.00 C ATOM 112 CG1 VAL A 7 12.358 -7.579 -0.785 1.00 0.00 C ATOM 113 CG2 VAL A 7 11.223 -6.915 -2.938 1.00 0.00 C ATOM 0 H VAL A 7 9.700 -5.031 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 7 10.117 -6.751 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 7 12.353 -5.632 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.207 -7.931 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.710 -7.205 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.663 -8.403 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.095 -7.281 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.489 -7.716 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.783 -6.078 -3.480 1.00 0.00 H new ATOM 123 N PRO A 8 10.439 -4.897 1.427 1.00 0.00 N ATOM 124 CA PRO A 8 10.718 -3.824 2.435 1.00 0.00 C ATOM 125 C PRO A 8 12.193 -3.387 2.732 1.00 0.00 C ATOM 126 O PRO A 8 12.446 -2.640 3.675 1.00 0.00 O ATOM 127 CB PRO A 8 9.993 -4.355 3.693 1.00 0.00 C ATOM 128 CG PRO A 8 9.016 -5.422 3.194 1.00 0.00 C ATOM 129 CD PRO A 8 9.734 -6.065 2.009 1.00 0.00 C ATOM 0 HA PRO A 8 10.369 -2.873 2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.703 -4.777 4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.465 -3.552 4.208 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.796 -6.154 3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.066 -4.982 2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.425 -6.848 2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.038 -6.518 1.303 1.00 0.00 H new ATOM 137 N ILE A 9 13.101 -3.881 1.902 1.00 0.00 N ATOM 138 CA ILE A 9 14.509 -3.561 2.056 1.00 0.00 C ATOM 139 C ILE A 9 14.868 -2.396 1.131 1.00 0.00 C ATOM 140 O ILE A 9 16.001 -1.918 1.139 1.00 0.00 O ATOM 141 CB ILE A 9 15.370 -4.807 1.838 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.859 -4.455 1.855 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.966 -5.533 0.553 1.00 0.00 C ATOM 144 CD1 ILE A 9 17.666 -5.521 2.598 1.00 0.00 C ATOM 0 H ILE A 9 12.888 -4.501 1.121 1.00 0.00 H new ATOM 0 HA ILE A 9 14.715 -3.234 3.075 1.00 0.00 H new ATOM 0 HB ILE A 9 15.193 -5.494 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 9 17.226 -4.363 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 9 17.002 -3.486 2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.593 -6.415 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.921 -5.837 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 9 15.096 -4.865 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.721 -5.246 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 9 17.313 -5.594 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 9 17.540 -6.484 2.102 1.00 0.00 H new ATOM 156 N ALA A 10 13.881 -1.972 0.356 1.00 0.00 N ATOM 157 CA ALA A 10 14.078 -0.874 -0.573 1.00 0.00 C ATOM 158 C ALA A 10 12.732 -0.202 -0.856 1.00 0.00 C ATOM 159 O ALA A 10 11.721 -0.881 -1.030 1.00 0.00 O ATOM 160 CB ALA A 10 14.748 -1.394 -1.846 1.00 0.00 C ATOM 0 H ALA A 10 12.942 -2.370 0.353 1.00 0.00 H new ATOM 0 HA ALA A 10 14.738 -0.122 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.895 -0.569 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.713 -1.834 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.113 -2.150 -2.308 1.00 0.00 H new ATOM 166 N TYR A 11 12.763 1.121 -0.893 1.00 0.00 N ATOM 167 CA TYR A 11 11.557 1.891 -1.152 1.00 0.00 C ATOM 168 C TYR A 11 11.722 2.764 -2.397 1.00 0.00 C ATOM 169 O TYR A 11 12.841 3.016 -2.841 1.00 0.00 O ATOM 170 CB TYR A 11 11.364 2.794 0.068 1.00 0.00 C ATOM 171 CG TYR A 11 12.465 3.841 0.249 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.468 4.981 -0.529 1.00 0.00 C ATOM 173 CD2 TYR A 11 13.457 3.644 1.189 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.505 5.966 -0.358 1.00 0.00 C ATOM 175 CE2 TYR A 11 14.494 4.629 1.359 1.00 0.00 C ATOM 176 CZ TYR A 11 14.466 5.742 0.577 1.00 0.00 C ATOM 177 OH TYR A 11 15.445 6.672 0.737 1.00 0.00 O ATOM 0 H TYR A 11 13.604 1.680 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 11 10.707 1.230 -1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.404 3.303 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.317 2.173 0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.693 5.134 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 11 13.455 2.751 1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.519 6.863 -0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 11 15.276 4.487 2.090 1.00 0.00 H new ATOM 0 HH TYR A 11 16.062 6.380 1.440 1.00 0.00 H new ATOM 187 N LYS A 12 10.590 3.204 -2.926 1.00 0.00 N ATOM 188 CA LYS A 12 10.593 4.044 -4.111 1.00 0.00 C ATOM 189 C LYS A 12 9.608 5.198 -3.916 1.00 0.00 C ATOM 190 O LYS A 12 8.944 5.285 -2.884 1.00 0.00 O ATOM 191 CB LYS A 12 10.320 3.208 -5.362 1.00 0.00 C ATOM 192 CG LYS A 12 11.467 2.231 -5.631 1.00 0.00 C ATOM 193 CD LYS A 12 11.954 2.340 -7.077 1.00 0.00 C ATOM 194 CE LYS A 12 13.435 1.979 -7.186 1.00 0.00 C ATOM 195 NZ LYS A 12 13.922 2.193 -8.568 1.00 0.00 N ATOM 0 H LYS A 12 9.663 2.994 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 12 11.578 4.487 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.389 2.655 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.189 3.865 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.292 2.437 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.136 1.212 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.367 1.677 -7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.796 3.355 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.015 2.587 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.583 0.938 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.930 1.943 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.380 1.595 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.799 3.192 -8.829 1.00 0.00 H new ATOM 209 N THR A 13 9.545 6.058 -4.923 1.00 0.00 N ATOM 210 CA THR A 13 8.653 7.203 -4.876 1.00 0.00 C ATOM 211 C THR A 13 7.250 6.806 -5.339 1.00 0.00 C ATOM 212 O THR A 13 7.095 5.889 -6.145 1.00 0.00 O ATOM 213 CB THR A 13 9.275 8.322 -5.713 1.00 0.00 C ATOM 214 OG1 THR A 13 9.862 9.192 -4.748 1.00 0.00 O ATOM 215 CG2 THR A 13 8.221 9.190 -6.404 1.00 0.00 C ATOM 0 H THR A 13 10.098 5.984 -5.777 1.00 0.00 H new ATOM 0 HA THR A 13 8.533 7.569 -3.856 1.00 0.00 H new ATOM 0 HB THR A 13 9.938 7.890 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.290 9.946 -5.205 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.715 9.969 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.617 8.570 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.579 9.650 -5.653 1.00 0.00 H new ATOM 223 N CYS A 14 6.264 7.515 -4.811 1.00 0.00 N ATOM 224 CA CYS A 14 4.879 7.247 -5.160 1.00 0.00 C ATOM 225 C CYS A 14 4.624 7.796 -6.565 1.00 0.00 C ATOM 226 O CYS A 14 4.575 9.010 -6.763 1.00 0.00 O ATOM 227 CB CYS A 14 3.912 7.840 -4.133 1.00 0.00 C ATOM 228 SG CYS A 14 4.018 7.098 -2.463 1.00 0.00 S ATOM 0 H CYS A 14 6.396 8.275 -4.144 1.00 0.00 H new ATOM 0 HA CYS A 14 4.701 6.172 -5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.101 8.910 -4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.894 7.723 -4.504 1.00 0.00 H new ATOM 233 N PRO A 15 4.469 6.877 -7.506 1.00 0.00 N ATOM 234 CA PRO A 15 4.212 7.264 -8.930 1.00 0.00 C ATOM 235 C PRO A 15 3.113 8.329 -9.270 1.00 0.00 C ATOM 236 O PRO A 15 2.353 8.742 -8.396 1.00 0.00 O ATOM 237 CB PRO A 15 3.941 5.898 -9.601 1.00 0.00 C ATOM 238 CG PRO A 15 3.626 4.927 -8.461 1.00 0.00 C ATOM 239 CD PRO A 15 4.501 5.407 -7.304 1.00 0.00 C ATOM 0 HA PRO A 15 5.071 7.828 -9.295 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.107 5.964 -10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.808 5.564 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.569 4.953 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.861 3.899 -8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.096 5.116 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.513 5.006 -7.360 1.00 0.00 H new ATOM 247 N GLU A 16 3.086 8.722 -10.536 1.00 0.00 N ATOM 248 CA GLU A 16 2.119 9.705 -10.993 1.00 0.00 C ATOM 249 C GLU A 16 0.695 9.183 -10.791 1.00 0.00 C ATOM 250 O GLU A 16 0.413 8.017 -11.059 1.00 0.00 O ATOM 251 CB GLU A 16 2.364 10.074 -12.457 1.00 0.00 C ATOM 252 CG GLU A 16 3.715 10.775 -12.627 1.00 0.00 C ATOM 253 CD GLU A 16 3.648 12.221 -12.136 1.00 0.00 C ATOM 254 OE1 GLU A 16 3.651 12.402 -10.898 1.00 0.00 O ATOM 255 OE2 GLU A 16 3.595 13.116 -13.008 1.00 0.00 O ATOM 0 H GLU A 16 3.718 8.377 -11.258 1.00 0.00 H new ATOM 0 HA GLU A 16 2.241 10.610 -10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.337 9.174 -13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.565 10.726 -12.810 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.482 10.234 -12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.009 10.757 -13.677 1.00 0.00 H new ATOM 262 N GLY A 17 -0.166 10.073 -10.317 1.00 0.00 N ATOM 263 CA GLY A 17 -1.554 9.717 -10.076 1.00 0.00 C ATOM 264 C GLY A 17 -1.771 9.321 -8.614 1.00 0.00 C ATOM 265 O GLY A 17 -2.856 9.518 -8.069 1.00 0.00 O ATOM 0 H GLY A 17 0.071 11.040 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.198 10.559 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.840 8.891 -10.727 1.00 0.00 H new ATOM 269 N LYS A 18 -0.723 8.769 -8.021 1.00 0.00 N ATOM 270 CA LYS A 18 -0.786 8.343 -6.634 1.00 0.00 C ATOM 271 C LYS A 18 -0.057 9.364 -5.758 1.00 0.00 C ATOM 272 O LYS A 18 0.820 10.083 -6.235 1.00 0.00 O ATOM 273 CB LYS A 18 -0.254 6.916 -6.487 1.00 0.00 C ATOM 274 CG LYS A 18 -0.982 5.959 -7.434 1.00 0.00 C ATOM 275 CD LYS A 18 -0.052 4.839 -7.901 1.00 0.00 C ATOM 276 CE LYS A 18 0.444 5.094 -9.326 1.00 0.00 C ATOM 277 NZ LYS A 18 1.065 3.872 -9.885 1.00 0.00 N ATOM 0 H LYS A 18 0.175 8.607 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.821 8.310 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.815 6.899 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.381 6.581 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.848 5.531 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.356 6.510 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.799 4.763 -7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.578 3.885 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.388 5.407 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.168 5.909 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.771 4.138 -10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.529 3.338 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.332 3.280 -10.325 1.00 0.00 H new ATOM 291 N ASN A 19 -0.447 9.396 -4.493 1.00 0.00 N ATOM 292 CA ASN A 19 0.158 10.317 -3.545 1.00 0.00 C ATOM 293 C ASN A 19 0.221 9.657 -2.167 1.00 0.00 C ATOM 294 O ASN A 19 1.225 9.767 -1.467 1.00 0.00 O ATOM 295 CB ASN A 19 -0.669 11.599 -3.419 1.00 0.00 C ATOM 296 CG ASN A 19 -0.223 12.421 -2.208 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.928 12.800 -2.072 1.00 0.00 O ATOM 298 ND2 ASN A 19 -1.197 12.674 -1.338 1.00 0.00 N ATOM 0 H ASN A 19 -1.175 8.799 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 19 1.156 10.565 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.564 12.194 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.725 11.347 -3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.001 13.215 -0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.140 12.327 -1.513 1.00 0.00 H new ATOM 305 N LEU A 20 -0.866 8.984 -1.818 1.00 0.00 N ATOM 306 CA LEU A 20 -0.947 8.305 -0.536 1.00 0.00 C ATOM 307 C LEU A 20 -0.319 6.916 -0.659 1.00 0.00 C ATOM 308 O LEU A 20 -0.091 6.429 -1.765 1.00 0.00 O ATOM 309 CB LEU A 20 -2.391 8.285 -0.031 1.00 0.00 C ATOM 310 CG LEU A 20 -2.873 9.553 0.675 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.399 9.661 0.630 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.336 9.623 2.106 1.00 0.00 C ATOM 0 H LEU A 20 -1.698 8.895 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.377 8.847 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.049 8.093 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.503 7.446 0.656 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.473 10.414 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.714 10.572 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.731 9.692 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.840 8.796 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.694 10.534 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.685 8.757 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.246 9.628 2.086 1.00 0.00 H new ATOM 324 N CYS A 21 -0.057 6.317 0.493 1.00 0.00 N ATOM 325 CA CYS A 21 0.542 4.993 0.529 1.00 0.00 C ATOM 326 C CYS A 21 -0.544 3.986 0.915 1.00 0.00 C ATOM 327 O CYS A 21 -1.406 4.283 1.741 1.00 0.00 O ATOM 328 CB CYS A 21 1.736 4.938 1.485 1.00 0.00 C ATOM 329 SG CYS A 21 3.322 5.496 0.762 1.00 0.00 S ATOM 0 H CYS A 21 -0.248 6.724 1.409 1.00 0.00 H new ATOM 0 HA CYS A 21 0.937 4.742 -0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.514 5.553 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.854 3.914 1.838 1.00 0.00 H new ATOM 334 N TYR A 22 -0.468 2.816 0.298 1.00 0.00 N ATOM 335 CA TYR A 22 -1.432 1.764 0.566 1.00 0.00 C ATOM 336 C TYR A 22 -0.739 0.406 0.704 1.00 0.00 C ATOM 337 O TYR A 22 0.375 0.222 0.217 1.00 0.00 O ATOM 338 CB TYR A 22 -2.363 1.727 -0.647 1.00 0.00 C ATOM 339 CG TYR A 22 -1.853 0.855 -1.797 1.00 0.00 C ATOM 340 CD1 TYR A 22 -0.720 1.224 -2.492 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.527 -0.300 -2.139 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.240 0.403 -3.574 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.047 -1.120 -3.220 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.928 -0.728 -3.885 1.00 0.00 C ATOM 345 OH TYR A 22 -0.474 -1.503 -4.906 1.00 0.00 O ATOM 0 H TYR A 22 0.247 2.574 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.965 1.960 1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.340 1.360 -0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.508 2.744 -1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.193 2.128 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.415 -0.588 -1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.646 0.679 -4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.564 -2.027 -3.497 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.063 -2.279 -5.015 1.00 0.00 H new ATOM 355 N LYS A 23 -1.428 -0.509 1.368 1.00 0.00 N ATOM 356 CA LYS A 23 -0.894 -1.843 1.576 1.00 0.00 C ATOM 357 C LYS A 23 -2.046 -2.850 1.617 1.00 0.00 C ATOM 358 O LYS A 23 -3.112 -2.557 2.158 1.00 0.00 O ATOM 359 CB LYS A 23 -0.004 -1.876 2.820 1.00 0.00 C ATOM 360 CG LYS A 23 -0.655 -1.120 3.980 1.00 0.00 C ATOM 361 CD LYS A 23 0.191 0.087 4.390 1.00 0.00 C ATOM 362 CE LYS A 23 0.535 0.034 5.881 1.00 0.00 C ATOM 363 NZ LYS A 23 1.163 1.302 6.313 1.00 0.00 N ATOM 0 H LYS A 23 -2.353 -0.353 1.769 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.251 -2.129 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.180 -2.910 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.965 -1.433 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.652 -0.788 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.778 -1.789 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.108 0.109 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.351 1.007 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.369 -0.148 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.212 -0.798 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.176 1.145 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.049 2.018 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.707 1.636 7.186 1.00 0.00 H new ATOM 377 N MET A 24 -1.793 -4.014 1.038 1.00 0.00 N ATOM 378 CA MET A 24 -2.797 -5.065 1.002 1.00 0.00 C ATOM 379 C MET A 24 -2.285 -6.334 1.686 1.00 0.00 C ATOM 380 O MET A 24 -1.182 -6.797 1.401 1.00 0.00 O ATOM 381 CB MET A 24 -3.156 -5.378 -0.452 1.00 0.00 C ATOM 382 CG MET A 24 -3.291 -4.093 -1.272 1.00 0.00 C ATOM 383 SD MET A 24 -4.383 -4.364 -2.658 1.00 0.00 S ATOM 384 CE MET A 24 -3.196 -4.378 -3.991 1.00 0.00 C ATOM 0 H MET A 24 -0.908 -4.253 0.590 1.00 0.00 H new ATOM 0 HA MET A 24 -3.681 -4.717 1.537 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.388 -6.015 -0.891 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.092 -5.936 -0.487 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.679 -3.291 -0.644 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.311 -3.774 -1.628 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.578 -3.788 -4.824 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.255 -3.950 -3.645 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.029 -5.404 -4.319 1.00 0.00 H new ATOM 394 N PHE A 25 -3.112 -6.863 2.576 1.00 0.00 N ATOM 395 CA PHE A 25 -2.759 -8.070 3.303 1.00 0.00 C ATOM 396 C PHE A 25 -3.913 -9.074 3.293 1.00 0.00 C ATOM 397 O PHE A 25 -5.066 -8.698 3.094 1.00 0.00 O ATOM 398 CB PHE A 25 -2.472 -7.654 4.747 1.00 0.00 C ATOM 399 CG PHE A 25 -1.618 -6.392 4.873 1.00 0.00 C ATOM 400 CD1 PHE A 25 -0.536 -6.219 4.068 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.941 -5.441 5.791 1.00 0.00 C ATOM 402 CE1 PHE A 25 0.258 -5.047 4.186 1.00 0.00 C ATOM 403 CE2 PHE A 25 -1.148 -4.268 5.908 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.066 -4.096 5.103 1.00 0.00 C ATOM 0 H PHE A 25 -4.027 -6.477 2.810 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.896 -8.546 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.419 -7.493 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.967 -8.474 5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.280 -6.973 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.800 -5.578 6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.119 -4.911 3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.405 -3.513 6.636 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.536 -3.204 5.192 1.00 0.00 H new ATOM 414 N MET A 26 -3.562 -10.333 3.511 1.00 0.00 N ATOM 415 CA MET A 26 -4.553 -11.395 3.530 1.00 0.00 C ATOM 416 C MET A 26 -5.219 -11.499 4.903 1.00 0.00 C ATOM 417 O MET A 26 -4.637 -11.100 5.911 1.00 0.00 O ATOM 418 CB MET A 26 -3.883 -12.726 3.185 1.00 0.00 C ATOM 419 CG MET A 26 -3.377 -12.728 1.741 1.00 0.00 C ATOM 420 SD MET A 26 -3.258 -14.404 1.137 1.00 0.00 S ATOM 421 CE MET A 26 -1.830 -14.961 2.050 1.00 0.00 C ATOM 0 H MET A 26 -2.604 -10.641 3.676 1.00 0.00 H new ATOM 0 HA MET A 26 -5.320 -11.163 2.792 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.051 -12.905 3.866 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.592 -13.542 3.327 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.054 -12.152 1.109 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.402 -12.244 1.688 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.088 -15.360 1.358 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.400 -14.124 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.128 -15.741 2.751 1.00 0.00 H new ATOM 431 N MET A 27 -6.431 -12.036 4.899 1.00 0.00 N ATOM 432 CA MET A 27 -7.182 -12.197 6.132 1.00 0.00 C ATOM 433 C MET A 27 -6.478 -13.172 7.079 1.00 0.00 C ATOM 434 O MET A 27 -6.536 -13.011 8.298 1.00 0.00 O ATOM 435 CB MET A 27 -8.583 -12.719 5.812 1.00 0.00 C ATOM 436 CG MET A 27 -9.537 -11.566 5.491 1.00 0.00 C ATOM 437 SD MET A 27 -9.932 -10.668 6.981 1.00 0.00 S ATOM 438 CE MET A 27 -11.099 -9.484 6.329 1.00 0.00 C ATOM 0 H MET A 27 -6.911 -12.365 4.061 1.00 0.00 H new ATOM 0 HA MET A 27 -7.250 -11.226 6.624 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.535 -13.403 4.965 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.966 -13.287 6.660 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.079 -10.896 4.763 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.449 -11.953 5.037 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.233 -8.673 7.045 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.721 -9.080 5.390 1.00 0.00 H new ATOM 0 HE3 MET A 27 -12.056 -9.975 6.154 1.00 0.00 H new ATOM 448 N SER A 28 -5.830 -14.162 6.484 1.00 0.00 N ATOM 449 CA SER A 28 -5.116 -15.163 7.259 1.00 0.00 C ATOM 450 C SER A 28 -3.833 -14.561 7.835 1.00 0.00 C ATOM 451 O SER A 28 -3.865 -13.892 8.866 1.00 0.00 O ATOM 452 CB SER A 28 -4.790 -16.391 6.406 1.00 0.00 C ATOM 453 OG SER A 28 -3.881 -17.270 7.062 1.00 0.00 O ATOM 0 H SER A 28 -5.784 -14.293 5.473 1.00 0.00 H new ATOM 0 HA SER A 28 -5.759 -15.484 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.711 -16.927 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.362 -16.070 5.456 1.00 0.00 H new ATOM 0 HG SER A 28 -3.699 -18.042 6.486 1.00 0.00 H new ATOM 459 N ASP A 29 -2.732 -14.821 7.143 1.00 0.00 N ATOM 460 CA ASP A 29 -1.441 -14.313 7.573 1.00 0.00 C ATOM 461 C ASP A 29 -1.369 -12.811 7.292 1.00 0.00 C ATOM 462 O ASP A 29 -0.744 -12.386 6.321 1.00 0.00 O ATOM 463 CB ASP A 29 -0.301 -14.992 6.811 1.00 0.00 C ATOM 464 CG ASP A 29 1.035 -15.040 7.554 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.170 -14.272 8.531 1.00 0.00 O ATOM 466 OD2 ASP A 29 1.892 -15.845 7.129 1.00 0.00 O ATOM 0 H ASP A 29 -2.709 -15.377 6.288 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.336 -14.518 8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.602 -16.011 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.155 -14.470 5.865 1.00 0.00 H new ATOM 471 N LEU A 30 -2.017 -12.047 8.160 1.00 0.00 N ATOM 472 CA LEU A 30 -2.034 -10.601 8.018 1.00 0.00 C ATOM 473 C LEU A 30 -0.653 -10.043 8.363 1.00 0.00 C ATOM 474 O LEU A 30 -0.343 -8.898 8.037 1.00 0.00 O ATOM 475 CB LEU A 30 -3.168 -9.995 8.847 1.00 0.00 C ATOM 476 CG LEU A 30 -4.510 -10.727 8.786 1.00 0.00 C ATOM 477 CD1 LEU A 30 -4.817 -11.421 10.114 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.633 -9.779 8.362 1.00 0.00 C ATOM 0 H LEU A 30 -2.534 -12.403 8.964 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.241 -10.322 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.847 -9.952 9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.322 -8.967 8.518 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.440 -11.504 8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.776 -11.934 10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.034 -12.146 10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.860 -10.679 10.911 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.576 -10.325 8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.712 -8.964 9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.412 -9.372 7.375 1.00 0.00 H new ATOM 490 N THR A 31 0.141 -10.877 9.020 1.00 0.00 N ATOM 491 CA THR A 31 1.482 -10.480 9.413 1.00 0.00 C ATOM 492 C THR A 31 2.472 -10.750 8.279 1.00 0.00 C ATOM 493 O THR A 31 3.684 -10.686 8.478 1.00 0.00 O ATOM 494 CB THR A 31 1.831 -11.213 10.710 1.00 0.00 C ATOM 495 OG1 THR A 31 3.188 -10.858 10.955 1.00 0.00 O ATOM 496 CG2 THR A 31 1.869 -12.733 10.532 1.00 0.00 C ATOM 0 H THR A 31 -0.119 -11.826 9.290 1.00 0.00 H new ATOM 0 HA THR A 31 1.537 -9.408 9.603 1.00 0.00 H new ATOM 0 HB THR A 31 1.103 -10.956 11.479 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.536 -10.351 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.121 -13.204 11.482 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.892 -13.085 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.621 -12.993 9.787 1.00 0.00 H new ATOM 504 N ILE A 32 1.919 -11.045 7.111 1.00 0.00 N ATOM 505 CA ILE A 32 2.739 -11.325 5.944 1.00 0.00 C ATOM 506 C ILE A 32 2.092 -10.693 4.709 1.00 0.00 C ATOM 507 O ILE A 32 1.244 -11.309 4.065 1.00 0.00 O ATOM 508 CB ILE A 32 2.983 -12.829 5.809 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.308 -13.230 6.460 1.00 0.00 C ATOM 510 CG2 ILE A 32 2.908 -13.268 4.345 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.144 -14.499 7.299 1.00 0.00 C ATOM 0 H ILE A 32 0.913 -11.096 6.948 1.00 0.00 H new ATOM 0 HA ILE A 32 3.725 -10.875 6.054 1.00 0.00 H new ATOM 0 HB ILE A 32 2.190 -13.353 6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.061 -13.394 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.669 -12.417 7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.085 -14.341 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.920 -13.037 3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.665 -12.738 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.100 -14.763 7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.408 -14.324 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.807 -15.316 6.661 1.00 0.00 H new ATOM 523 N PRO A 33 2.516 -9.473 4.417 1.00 0.00 N ATOM 524 CA PRO A 33 1.974 -8.729 3.236 1.00 0.00 C ATOM 525 C PRO A 33 2.033 -9.371 1.807 1.00 0.00 C ATOM 526 O PRO A 33 2.796 -10.308 1.574 1.00 0.00 O ATOM 527 CB PRO A 33 2.734 -7.386 3.313 1.00 0.00 C ATOM 528 CG PRO A 33 3.220 -7.264 4.759 1.00 0.00 C ATOM 529 CD PRO A 33 3.521 -8.700 5.178 1.00 0.00 C ATOM 0 HA PRO A 33 0.889 -8.684 3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.572 -7.371 2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.083 -6.553 3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.107 -6.635 4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.460 -6.814 5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.539 -8.993 4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.412 -8.840 6.253 1.00 0.00 H new ATOM 537 N VAL A 34 1.216 -8.830 0.915 1.00 0.00 N ATOM 538 CA VAL A 34 1.163 -9.325 -0.450 1.00 0.00 C ATOM 539 C VAL A 34 1.419 -8.167 -1.417 1.00 0.00 C ATOM 540 O VAL A 34 2.145 -8.321 -2.398 1.00 0.00 O ATOM 541 CB VAL A 34 -0.171 -10.029 -0.701 1.00 0.00 C ATOM 542 CG1 VAL A 34 -0.463 -11.057 0.394 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.312 -9.017 -0.820 1.00 0.00 C ATOM 0 H VAL A 34 0.585 -8.053 1.111 1.00 0.00 H new ATOM 0 HA VAL A 34 1.943 -10.068 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.095 -10.561 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.417 -11.543 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.329 -11.806 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.509 -10.556 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.249 -9.544 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.388 -8.444 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.113 -8.340 -1.651 1.00 0.00 H new ATOM 553 N LYS A 35 0.809 -7.032 -1.107 1.00 0.00 N ATOM 554 CA LYS A 35 0.963 -5.849 -1.936 1.00 0.00 C ATOM 555 C LYS A 35 1.307 -4.651 -1.049 1.00 0.00 C ATOM 556 O LYS A 35 0.738 -4.489 0.030 1.00 0.00 O ATOM 557 CB LYS A 35 -0.282 -5.637 -2.800 1.00 0.00 C ATOM 558 CG LYS A 35 -0.708 -6.941 -3.477 1.00 0.00 C ATOM 559 CD LYS A 35 -0.718 -6.792 -5.000 1.00 0.00 C ATOM 560 CE LYS A 35 -0.763 -8.158 -5.686 1.00 0.00 C ATOM 561 NZ LYS A 35 -2.031 -8.854 -5.371 1.00 0.00 N ATOM 0 H LYS A 35 0.207 -6.907 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 35 1.791 -5.977 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.098 -5.260 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.079 -4.879 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.027 -7.742 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.701 -7.227 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.581 -6.200 -5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.171 -6.249 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.668 -8.033 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.082 -8.764 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.076 -9.750 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.075 -9.050 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.834 -8.252 -5.643 1.00 0.00 H new ATOM 575 N ARG A 36 2.236 -3.842 -1.537 1.00 0.00 N ATOM 576 CA ARG A 36 2.662 -2.663 -0.802 1.00 0.00 C ATOM 577 C ARG A 36 3.228 -1.615 -1.762 1.00 0.00 C ATOM 578 O ARG A 36 4.278 -1.826 -2.368 1.00 0.00 O ATOM 579 CB ARG A 36 3.726 -3.019 0.239 1.00 0.00 C ATOM 580 CG ARG A 36 3.094 -3.244 1.614 1.00 0.00 C ATOM 581 CD ARG A 36 4.105 -3.854 2.589 1.00 0.00 C ATOM 582 NE ARG A 36 3.436 -4.190 3.866 1.00 0.00 N ATOM 583 CZ ARG A 36 3.361 -3.360 4.915 1.00 0.00 C ATOM 584 NH1 ARG A 36 3.912 -2.140 4.845 1.00 0.00 N ATOM 585 NH2 ARG A 36 2.735 -3.749 6.034 1.00 0.00 N ATOM 0 H ARG A 36 2.705 -3.980 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 36 1.789 -2.257 -0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.258 -3.918 -0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.463 -2.218 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.728 -2.297 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.232 -3.904 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.548 -4.750 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.919 -3.152 2.769 1.00 0.00 H new ATOM 0 HE ARG A 36 3.005 -5.111 3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.388 -1.844 3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.855 -1.508 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.315 -4.677 6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.678 -3.117 6.833 1.00 0.00 H new ATOM 599 N GLY A 37 2.507 -0.508 -1.870 1.00 0.00 N ATOM 600 CA GLY A 37 2.925 0.573 -2.747 1.00 0.00 C ATOM 601 C GLY A 37 2.199 1.874 -2.395 1.00 0.00 C ATOM 602 O GLY A 37 1.944 2.150 -1.224 1.00 0.00 O ATOM 0 H GLY A 37 1.637 -0.337 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.002 0.719 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.719 0.306 -3.784 1.00 0.00 H new ATOM 606 N CYS A 38 1.886 2.638 -3.432 1.00 0.00 N ATOM 607 CA CYS A 38 1.196 3.902 -3.247 1.00 0.00 C ATOM 608 C CYS A 38 -0.157 3.819 -3.959 1.00 0.00 C ATOM 609 O CYS A 38 -0.389 2.911 -4.754 1.00 0.00 O ATOM 610 CB CYS A 38 2.032 5.083 -3.748 1.00 0.00 C ATOM 611 SG CYS A 38 3.703 5.205 -3.011 1.00 0.00 S ATOM 0 H CYS A 38 2.098 2.405 -4.402 1.00 0.00 H new ATOM 0 HA CYS A 38 1.037 4.080 -2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.132 5.006 -4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.491 6.007 -3.543 1.00 0.00 H new ATOM 616 N ILE A 39 -1.013 4.780 -3.647 1.00 0.00 N ATOM 617 CA ILE A 39 -2.336 4.827 -4.246 1.00 0.00 C ATOM 618 C ILE A 39 -2.845 6.270 -4.235 1.00 0.00 C ATOM 619 O ILE A 39 -2.236 7.142 -3.617 1.00 0.00 O ATOM 620 CB ILE A 39 -3.274 3.837 -3.552 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.317 3.291 -4.531 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.923 4.469 -2.319 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.196 1.773 -4.666 1.00 0.00 C ATOM 0 H ILE A 39 -0.817 5.533 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.294 4.512 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.681 2.990 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.317 3.551 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.186 3.759 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.585 3.744 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.148 4.769 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.499 5.344 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.947 1.409 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.202 1.519 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.352 1.308 -3.693 1.00 0.00 H new ATOM 635 N ASP A 40 -3.959 6.476 -4.924 1.00 0.00 N ATOM 636 CA ASP A 40 -4.557 7.798 -5.001 1.00 0.00 C ATOM 637 C ASP A 40 -5.708 7.891 -3.997 1.00 0.00 C ATOM 638 O ASP A 40 -5.829 8.880 -3.276 1.00 0.00 O ATOM 639 CB ASP A 40 -5.124 8.066 -6.396 1.00 0.00 C ATOM 640 CG ASP A 40 -5.114 6.861 -7.340 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.691 5.826 -6.946 1.00 0.00 O ATOM 642 OD2 ASP A 40 -4.528 7.004 -8.436 1.00 0.00 O ATOM 0 H ASP A 40 -4.462 5.750 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.782 8.532 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.150 8.420 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.553 8.873 -6.855 1.00 0.00 H new ATOM 647 N VAL A 41 -6.524 6.847 -3.983 1.00 0.00 N ATOM 648 CA VAL A 41 -7.661 6.799 -3.080 1.00 0.00 C ATOM 649 C VAL A 41 -7.583 5.525 -2.236 1.00 0.00 C ATOM 650 O VAL A 41 -7.091 4.498 -2.700 1.00 0.00 O ATOM 651 CB VAL A 41 -8.965 6.910 -3.873 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.023 7.685 -3.083 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.721 7.553 -5.240 1.00 0.00 C ATOM 0 H VAL A 41 -6.420 6.028 -4.582 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.639 7.646 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.344 5.902 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.940 7.749 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.227 7.169 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.656 8.689 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.663 7.620 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.309 8.553 -5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.017 6.945 -5.808 1.00 0.00 H new ATOM 663 N CYS A 42 -8.075 5.634 -1.011 1.00 0.00 N ATOM 664 CA CYS A 42 -8.067 4.504 -0.098 1.00 0.00 C ATOM 665 C CYS A 42 -9.091 3.480 -0.591 1.00 0.00 C ATOM 666 O CYS A 42 -10.296 3.716 -0.518 1.00 0.00 O ATOM 667 CB CYS A 42 -8.343 4.938 1.343 1.00 0.00 C ATOM 668 SG CYS A 42 -7.680 3.813 2.625 1.00 0.00 S ATOM 0 H CYS A 42 -8.482 6.488 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.076 4.050 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.919 5.930 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.421 5.027 1.480 1.00 0.00 H new ATOM 673 N PRO A 43 -8.574 2.364 -1.083 1.00 0.00 N ATOM 674 CA PRO A 43 -9.455 1.270 -1.605 1.00 0.00 C ATOM 675 C PRO A 43 -10.435 0.521 -0.638 1.00 0.00 C ATOM 676 O PRO A 43 -10.207 0.475 0.570 1.00 0.00 O ATOM 677 CB PRO A 43 -8.438 0.317 -2.273 1.00 0.00 C ATOM 678 CG PRO A 43 -7.145 1.122 -2.421 1.00 0.00 C ATOM 679 CD PRO A 43 -7.133 2.045 -1.204 1.00 0.00 C ATOM 0 HA PRO A 43 -10.210 1.713 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.277 -0.572 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.800 -0.023 -3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.271 0.471 -2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.134 1.690 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.743 1.551 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.525 2.935 -1.366 1.00 0.00 H new ATOM 687 N LYS A 44 -11.487 -0.032 -1.224 1.00 0.00 N ATOM 688 CA LYS A 44 -12.479 -0.758 -0.451 1.00 0.00 C ATOM 689 C LYS A 44 -11.902 -2.111 -0.030 1.00 0.00 C ATOM 690 O LYS A 44 -11.302 -2.813 -0.843 1.00 0.00 O ATOM 691 CB LYS A 44 -13.792 -0.865 -1.228 1.00 0.00 C ATOM 692 CG LYS A 44 -14.243 0.508 -1.734 1.00 0.00 C ATOM 693 CD LYS A 44 -13.884 0.693 -3.209 1.00 0.00 C ATOM 694 CE LYS A 44 -14.949 1.519 -3.934 1.00 0.00 C ATOM 695 NZ LYS A 44 -14.327 2.386 -4.958 1.00 0.00 N ATOM 0 H LYS A 44 -11.674 0.009 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.720 -0.215 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.665 -1.544 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.564 -1.292 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.320 0.612 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.772 1.291 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.916 1.188 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.786 -0.281 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.675 0.855 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.495 2.130 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.065 2.939 -5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.652 3.033 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.826 1.797 -5.654 1.00 0.00 H new ATOM 709 N ASN A 45 -12.104 -2.437 1.238 1.00 0.00 N ATOM 710 CA ASN A 45 -11.611 -3.693 1.775 1.00 0.00 C ATOM 711 C ASN A 45 -12.639 -4.795 1.511 1.00 0.00 C ATOM 712 O ASN A 45 -13.821 -4.513 1.321 1.00 0.00 O ATOM 713 CB ASN A 45 -11.397 -3.599 3.287 1.00 0.00 C ATOM 714 CG ASN A 45 -10.693 -2.293 3.661 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.539 -2.065 3.337 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.450 -1.451 4.359 1.00 0.00 N ATOM 0 H ASN A 45 -12.603 -1.853 1.909 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.661 -3.918 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.358 -3.658 3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.803 -4.447 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.072 -0.552 4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.409 -1.705 4.597 1.00 0.00 H new ATOM 723 N SER A 46 -12.153 -6.028 1.509 1.00 0.00 N ATOM 724 CA SER A 46 -13.015 -7.172 1.270 1.00 0.00 C ATOM 725 C SER A 46 -12.952 -8.130 2.463 1.00 0.00 C ATOM 726 O SER A 46 -12.156 -7.935 3.379 1.00 0.00 O ATOM 727 CB SER A 46 -12.622 -7.900 -0.017 1.00 0.00 C ATOM 728 OG SER A 46 -11.255 -8.302 -0.006 1.00 0.00 O ATOM 0 H SER A 46 -11.173 -6.259 1.669 1.00 0.00 H new ATOM 0 HA SER A 46 -14.037 -6.812 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.257 -8.777 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.801 -7.248 -0.872 1.00 0.00 H new ATOM 0 HG SER A 46 -11.043 -8.764 -0.844 1.00 0.00 H new ATOM 734 N LEU A 47 -13.804 -9.144 2.411 1.00 0.00 N ATOM 735 CA LEU A 47 -13.856 -10.133 3.474 1.00 0.00 C ATOM 736 C LEU A 47 -12.820 -11.224 3.200 1.00 0.00 C ATOM 737 O LEU A 47 -12.853 -12.286 3.821 1.00 0.00 O ATOM 738 CB LEU A 47 -15.280 -10.664 3.641 1.00 0.00 C ATOM 739 CG LEU A 47 -16.332 -9.641 4.077 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.700 -9.974 3.481 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.384 -9.524 5.603 1.00 0.00 C ATOM 0 H LEU A 47 -14.464 -9.302 1.649 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.596 -9.680 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.597 -11.100 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.262 -11.471 4.373 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.041 -8.665 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.429 -9.232 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.635 -9.966 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -18.013 -10.962 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.139 -8.791 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.639 -10.492 6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -15.411 -9.205 5.977 1.00 0.00 H new ATOM 753 N LEU A 48 -11.925 -10.927 2.270 1.00 0.00 N ATOM 754 CA LEU A 48 -10.881 -11.870 1.907 1.00 0.00 C ATOM 755 C LEU A 48 -9.514 -11.258 2.220 1.00 0.00 C ATOM 756 O LEU A 48 -8.673 -11.895 2.852 1.00 0.00 O ATOM 757 CB LEU A 48 -11.038 -12.309 0.450 1.00 0.00 C ATOM 758 CG LEU A 48 -12.415 -12.851 0.059 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.622 -12.779 -1.455 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.620 -14.268 0.598 1.00 0.00 C ATOM 0 H LEU A 48 -11.901 -10.046 1.756 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.967 -12.780 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.808 -11.459 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.294 -13.077 0.240 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.174 -12.219 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.608 -13.170 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.548 -11.742 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.857 -13.373 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.606 -14.629 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.856 -14.928 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.545 -14.258 1.685 1.00 0.00 H new ATOM 772 N VAL A 49 -9.335 -10.027 1.763 1.00 0.00 N ATOM 773 CA VAL A 49 -8.084 -9.321 1.986 1.00 0.00 C ATOM 774 C VAL A 49 -8.381 -7.934 2.558 1.00 0.00 C ATOM 775 O VAL A 49 -9.470 -7.396 2.359 1.00 0.00 O ATOM 776 CB VAL A 49 -7.272 -9.271 0.689 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.674 -7.881 0.471 1.00 0.00 C ATOM 778 CG2 VAL A 49 -6.182 -10.345 0.684 1.00 0.00 C ATOM 0 H VAL A 49 -10.035 -9.501 1.240 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.472 -9.850 2.717 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.949 -9.477 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.102 -7.872 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.476 -7.145 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.017 -7.633 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.620 -10.288 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.508 -10.183 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.641 -11.330 0.771 1.00 0.00 H new ATOM 788 N LYS A 50 -7.396 -7.393 3.258 1.00 0.00 N ATOM 789 CA LYS A 50 -7.537 -6.079 3.861 1.00 0.00 C ATOM 790 C LYS A 50 -6.567 -5.106 3.188 1.00 0.00 C ATOM 791 O LYS A 50 -5.533 -5.518 2.665 1.00 0.00 O ATOM 792 CB LYS A 50 -7.369 -6.164 5.379 1.00 0.00 C ATOM 793 CG LYS A 50 -7.805 -4.862 6.053 1.00 0.00 C ATOM 794 CD LYS A 50 -8.453 -5.138 7.411 1.00 0.00 C ATOM 795 CE LYS A 50 -9.964 -4.907 7.355 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.642 -5.644 8.445 1.00 0.00 N ATOM 0 H LYS A 50 -6.495 -7.842 3.422 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.542 -5.691 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.959 -6.994 5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.327 -6.372 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.942 -4.209 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.510 -4.334 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.250 -6.165 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.010 -4.490 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.178 -3.842 7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.352 -5.234 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.667 -5.476 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.452 -6.662 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.284 -5.313 9.363 1.00 0.00 H new ATOM 810 N TYR A 51 -6.937 -3.834 3.222 1.00 0.00 N ATOM 811 CA TYR A 51 -6.112 -2.799 2.622 1.00 0.00 C ATOM 812 C TYR A 51 -5.924 -1.622 3.582 1.00 0.00 C ATOM 813 O TYR A 51 -6.900 -1.038 4.051 1.00 0.00 O ATOM 814 CB TYR A 51 -6.873 -2.318 1.386 1.00 0.00 C ATOM 815 CG TYR A 51 -7.394 -3.448 0.497 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.400 -4.276 0.952 1.00 0.00 C ATOM 817 CD2 TYR A 51 -6.859 -3.640 -0.761 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.891 -5.340 0.115 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.350 -4.704 -1.598 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.342 -5.502 -1.118 1.00 0.00 C ATOM 821 OH TYR A 51 -8.805 -6.507 -1.909 1.00 0.00 O ATOM 0 H TYR A 51 -7.797 -3.497 3.655 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.123 -3.189 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.715 -1.704 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.218 -1.677 0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.819 -4.126 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.072 -2.992 -1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.678 -5.995 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.940 -4.865 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.321 -6.502 -2.761 1.00 0.00 H new ATOM 831 N VAL A 52 -4.664 -1.309 3.844 1.00 0.00 N ATOM 832 CA VAL A 52 -4.336 -0.211 4.739 1.00 0.00 C ATOM 833 C VAL A 52 -3.789 0.960 3.923 1.00 0.00 C ATOM 834 O VAL A 52 -3.171 0.760 2.879 1.00 0.00 O ATOM 835 CB VAL A 52 -3.367 -0.691 5.822 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.639 0.014 7.152 1.00 0.00 C ATOM 837 CG2 VAL A 52 -3.433 -2.211 5.983 1.00 0.00 C ATOM 0 H VAL A 52 -3.858 -1.796 3.453 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.229 0.142 5.254 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.356 -0.432 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.937 -0.345 7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.516 1.090 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.658 -0.199 7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.735 -2.525 6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.444 -2.503 6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.167 -2.689 5.040 1.00 0.00 H new ATOM 847 N CYS A 53 -4.035 2.159 4.430 1.00 0.00 N ATOM 848 CA CYS A 53 -3.574 3.365 3.761 1.00 0.00 C ATOM 849 C CYS A 53 -2.740 4.176 4.754 1.00 0.00 C ATOM 850 O CYS A 53 -2.916 4.052 5.965 1.00 0.00 O ATOM 851 CB CYS A 53 -4.739 4.178 3.195 1.00 0.00 C ATOM 852 SG CYS A 53 -5.845 3.253 2.067 1.00 0.00 S ATOM 0 H CYS A 53 -4.548 2.322 5.297 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.956 3.096 2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.331 4.565 4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.337 5.039 2.661 1.00 0.00 H new ATOM 857 N CYS A 54 -1.851 4.991 4.204 1.00 0.00 N ATOM 858 CA CYS A 54 -0.990 5.824 5.027 1.00 0.00 C ATOM 859 C CYS A 54 -0.547 7.027 4.193 1.00 0.00 C ATOM 860 O CYS A 54 -0.726 7.044 2.976 1.00 0.00 O ATOM 861 CB CYS A 54 0.203 5.037 5.572 1.00 0.00 C ATOM 862 SG CYS A 54 1.036 3.959 4.350 1.00 0.00 S ATOM 0 H CYS A 54 -1.709 5.092 3.199 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.542 6.172 5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.933 5.741 5.971 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.136 4.422 6.406 1.00 0.00 H new ATOM 867 N ASN A 55 0.022 8.006 4.881 1.00 0.00 N ATOM 868 CA ASN A 55 0.492 9.211 4.219 1.00 0.00 C ATOM 869 C ASN A 55 1.949 9.468 4.610 1.00 0.00 C ATOM 870 O ASN A 55 2.541 10.463 4.197 1.00 0.00 O ATOM 871 CB ASN A 55 -0.332 10.429 4.642 1.00 0.00 C ATOM 872 CG ASN A 55 0.053 10.889 6.049 1.00 0.00 C ATOM 873 OD1 ASN A 55 0.686 11.914 6.244 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.364 10.078 7.017 1.00 0.00 N ATOM 0 H ASN A 55 0.168 7.989 5.890 1.00 0.00 H new ATOM 0 HA ASN A 55 0.394 9.064 3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.175 11.243 3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.393 10.182 4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.158 10.299 7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.890 9.235 6.785 1.00 0.00 H new ATOM 881 N THR A 56 2.486 8.552 5.403 1.00 0.00 N ATOM 882 CA THR A 56 3.862 8.666 5.855 1.00 0.00 C ATOM 883 C THR A 56 4.794 7.878 4.931 1.00 0.00 C ATOM 884 O THR A 56 4.335 7.075 4.120 1.00 0.00 O ATOM 885 CB THR A 56 3.921 8.207 7.313 1.00 0.00 C ATOM 886 OG1 THR A 56 3.278 6.935 7.303 1.00 0.00 O ATOM 887 CG2 THR A 56 3.045 9.060 8.232 1.00 0.00 C ATOM 0 H THR A 56 1.992 7.727 5.744 1.00 0.00 H new ATOM 0 HA THR A 56 4.208 9.699 5.811 1.00 0.00 H new ATOM 0 HB THR A 56 4.953 8.241 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.273 6.564 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.124 8.691 9.255 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.379 10.097 8.193 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.007 9.000 7.904 1.00 0.00 H new ATOM 895 N ASP A 57 6.084 8.135 5.086 1.00 0.00 N ATOM 896 CA ASP A 57 7.084 7.460 4.276 1.00 0.00 C ATOM 897 C ASP A 57 7.378 6.086 4.880 1.00 0.00 C ATOM 898 O ASP A 57 7.055 5.830 6.039 1.00 0.00 O ATOM 899 CB ASP A 57 8.392 8.253 4.243 1.00 0.00 C ATOM 900 CG ASP A 57 8.387 9.469 3.315 1.00 0.00 C ATOM 901 OD1 ASP A 57 8.499 9.249 2.090 1.00 0.00 O ATOM 902 OD2 ASP A 57 8.273 10.592 3.852 1.00 0.00 O ATOM 0 H ASP A 57 6.460 8.801 5.760 1.00 0.00 H new ATOM 0 HA ASP A 57 6.693 7.368 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.622 8.588 5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.197 7.585 3.937 1.00 0.00 H new ATOM 907 N ARG A 58 7.990 5.237 4.067 1.00 0.00 N ATOM 908 CA ARG A 58 8.332 3.895 4.505 1.00 0.00 C ATOM 909 C ARG A 58 7.236 3.338 5.416 1.00 0.00 C ATOM 910 O ARG A 58 7.521 2.603 6.360 1.00 0.00 O ATOM 911 CB ARG A 58 9.665 3.884 5.258 1.00 0.00 C ATOM 912 CG ARG A 58 10.827 4.216 4.320 1.00 0.00 C ATOM 913 CD ARG A 58 12.165 3.802 4.937 1.00 0.00 C ATOM 914 NE ARG A 58 12.797 4.965 5.600 1.00 0.00 N ATOM 915 CZ ARG A 58 13.843 4.878 6.434 1.00 0.00 C ATOM 916 NH1 ARG A 58 14.379 3.682 6.713 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.352 5.985 6.989 1.00 0.00 N ATOM 0 H ARG A 58 8.258 5.453 3.107 1.00 0.00 H new ATOM 0 HA ARG A 58 8.424 3.270 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.633 4.607 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.825 2.904 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.688 3.704 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.835 5.285 4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.009 3.001 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.826 3.410 4.164 1.00 0.00 H new ATOM 0 HE ARG A 58 12.413 5.891 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.991 2.838 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.175 3.615 7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.944 6.896 6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.148 5.918 7.623 1.00 0.00 H new ATOM 931 N CYS A 59 6.004 3.709 5.101 1.00 0.00 N ATOM 932 CA CYS A 59 4.864 3.256 5.878 1.00 0.00 C ATOM 933 C CYS A 59 4.422 1.896 5.335 1.00 0.00 C ATOM 934 O CYS A 59 4.243 0.947 6.099 1.00 0.00 O ATOM 935 CB CYS A 59 3.723 4.277 5.857 1.00 0.00 C ATOM 936 SG CYS A 59 2.948 4.526 4.218 1.00 0.00 S ATOM 0 H CYS A 59 5.771 4.319 4.317 1.00 0.00 H new ATOM 0 HA CYS A 59 5.152 3.152 6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.955 3.958 6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.104 5.234 6.213 1.00 0.00 H new ATOM 941 N ASN A 60 4.259 1.843 4.021 1.00 0.00 N ATOM 942 CA ASN A 60 3.842 0.614 3.369 1.00 0.00 C ATOM 943 C ASN A 60 5.050 -0.030 2.685 1.00 0.00 C ATOM 944 O ASN A 60 6.048 0.638 2.422 1.00 0.00 O ATOM 945 CB ASN A 60 2.784 0.890 2.298 1.00 0.00 C ATOM 946 CG ASN A 60 3.416 1.510 1.050 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.320 2.700 0.801 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.066 0.639 0.283 1.00 0.00 N ATOM 0 H ASN A 60 4.408 2.631 3.391 1.00 0.00 H new ATOM 0 HA ASN A 60 3.423 -0.045 4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.280 -0.039 2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.024 1.562 2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.523 0.955 -0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.108 -0.344 0.551 1.00 0.00 H new