USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 2 LYS NZ :NH3+ -169:sc= 0.0823 (180deg=0.0541) USER MOD Set 1.2: A 11 TYR OH : rot 180:sc= 0.0457 USER MOD Single : A 4 ASN : amide:sc= 2.02 K(o=2,f=-7.2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.328 K(o=-0.33,f=-2.1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -157:sc= -0.25 (180deg=-1.19) USER MOD Single : A 26 MET CE :methyl -158:sc= 0 (180deg=-0.346) USER MOD Single : A 27 MET CE :methyl -165:sc= -0.0407 (180deg=-0.351) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.74 K(o=0.74,f=-3.4!) USER MOD Single : A 46 SER OG : rot -46:sc= 1.36 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.017 K(o=-0.017,f=-3.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 60 ASN : amide:sc= -3.13! C(o=-3.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -10.242 5.371 -0.670 1.00 0.00 N ATOM 41 CA LYS A 2 -10.235 4.150 0.118 1.00 0.00 C ATOM 42 C LYS A 2 -9.099 3.244 -0.362 1.00 0.00 C ATOM 43 O LYS A 2 -9.000 2.941 -1.550 1.00 0.00 O ATOM 44 CB LYS A 2 -11.581 3.429 0.019 1.00 0.00 C ATOM 45 CG LYS A 2 -12.777 4.267 0.448 1.00 0.00 C ATOM 46 CD LYS A 2 -14.081 3.503 0.272 1.00 0.00 C ATOM 47 CE LYS A 2 -15.270 4.318 0.758 1.00 0.00 C ATOM 48 NZ LYS A 2 -16.514 3.503 0.819 1.00 0.00 N ATOM 0 HA LYS A 2 -10.073 4.404 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.731 3.105 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.544 2.530 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.663 4.559 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.809 5.185 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.217 3.249 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.032 2.564 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.053 4.723 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.425 5.167 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.331 4.128 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.635 2.987 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.446 2.824 1.604 1.00 0.00 H new ATOM 61 N CYS A 3 -8.266 2.840 0.587 1.00 0.00 N ATOM 62 CA CYS A 3 -7.230 1.862 0.307 1.00 0.00 C ATOM 63 C CYS A 3 -7.459 0.647 1.208 1.00 0.00 C ATOM 64 O CYS A 3 -8.216 0.718 2.172 1.00 0.00 O ATOM 65 CB CYS A 3 -5.830 2.453 0.490 1.00 0.00 C ATOM 66 SG CYS A 3 -5.466 3.904 -0.564 1.00 0.00 S ATOM 0 H CYS A 3 -8.288 3.173 1.551 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.290 1.554 -0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.706 2.740 1.534 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.093 1.677 0.283 1.00 0.00 H new ATOM 71 N ASN A 4 -6.788 -0.443 0.858 1.00 0.00 N ATOM 72 CA ASN A 4 -7.089 -1.731 1.460 1.00 0.00 C ATOM 73 C ASN A 4 -6.105 -1.999 2.599 1.00 0.00 C ATOM 74 O ASN A 4 -4.927 -1.662 2.500 1.00 0.00 O ATOM 75 CB ASN A 4 -7.053 -2.853 0.438 1.00 0.00 C ATOM 76 CG ASN A 4 -8.213 -2.836 -0.519 1.00 0.00 C ATOM 77 OD1 ASN A 4 -9.316 -2.390 -0.183 1.00 0.00 O ATOM 78 ND2 ASN A 4 -7.992 -3.394 -1.682 1.00 0.00 N ATOM 0 H ASN A 4 -6.039 -0.460 0.166 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.103 -1.698 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.125 -2.786 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.039 -3.809 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.749 -3.477 -2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.062 -3.746 -1.910 1.00 0.00 H new ATOM 85 N LYS A 5 -6.626 -2.604 3.658 1.00 0.00 N ATOM 86 CA LYS A 5 -5.782 -3.059 4.750 1.00 0.00 C ATOM 87 C LYS A 5 -5.095 -4.365 4.347 1.00 0.00 C ATOM 88 O LYS A 5 -5.318 -4.876 3.251 1.00 0.00 O ATOM 89 CB LYS A 5 -6.599 -3.248 6.028 1.00 0.00 C ATOM 90 CG LYS A 5 -7.225 -1.969 6.568 1.00 0.00 C ATOM 91 CD LYS A 5 -8.117 -2.254 7.768 1.00 0.00 C ATOM 92 CE LYS A 5 -7.304 -2.739 8.960 1.00 0.00 C ATOM 93 NZ LYS A 5 -8.160 -2.987 10.153 1.00 0.00 N ATOM 0 H LYS A 5 -7.621 -2.789 3.782 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.024 -2.303 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.390 -3.972 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.955 -3.676 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.439 -1.270 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.810 -1.488 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.663 -1.351 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.859 -3.006 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.780 -3.656 8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.544 -1.998 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.568 -3.316 10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.641 -2.106 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.869 -3.713 9.926 1.00 0.00 H new ATOM 106 N LEU A 6 -4.275 -4.869 5.258 1.00 0.00 N ATOM 107 CA LEU A 6 -3.724 -6.206 5.111 1.00 0.00 C ATOM 108 C LEU A 6 -4.862 -7.195 4.858 1.00 0.00 C ATOM 109 O LEU A 6 -4.715 -8.126 4.066 1.00 0.00 O ATOM 110 CB LEU A 6 -2.855 -6.563 6.318 1.00 0.00 C ATOM 111 CG LEU A 6 -2.177 -7.934 6.275 1.00 0.00 C ATOM 112 CD1 LEU A 6 -1.247 -8.049 5.065 1.00 0.00 C ATOM 113 CD2 LEU A 6 -1.448 -8.228 7.588 1.00 0.00 C ATOM 0 H LEU A 6 -3.979 -4.376 6.100 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.062 -6.253 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.083 -5.801 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.474 -6.514 7.214 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.951 -8.693 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.778 -9.033 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.823 -7.916 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.476 -7.280 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.975 -9.208 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.686 -7.467 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.163 -8.218 8.411 1.00 0.00 H new ATOM 125 N VAL A 7 -5.969 -6.964 5.547 1.00 0.00 N ATOM 126 CA VAL A 7 -7.197 -7.685 5.255 1.00 0.00 C ATOM 127 C VAL A 7 -7.860 -7.078 4.018 1.00 0.00 C ATOM 128 O VAL A 7 -8.207 -5.898 4.009 1.00 0.00 O ATOM 129 CB VAL A 7 -8.180 -7.649 6.440 1.00 0.00 C ATOM 130 CG1 VAL A 7 -9.475 -8.361 6.080 1.00 0.00 C ATOM 131 CG2 VAL A 7 -7.552 -8.282 7.672 1.00 0.00 C ATOM 0 H VAL A 7 -6.042 -6.288 6.307 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.939 -8.728 5.071 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.409 -6.607 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.158 -8.326 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.935 -7.868 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.261 -9.400 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.260 -8.248 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.295 -9.319 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.650 -7.733 7.943 1.00 0.00 H new ATOM 141 N PRO A 8 -8.019 -7.936 2.973 1.00 0.00 N ATOM 142 CA PRO A 8 -8.358 -7.444 1.648 1.00 0.00 C ATOM 143 C PRO A 8 -9.854 -7.148 1.539 1.00 0.00 C ATOM 144 O PRO A 8 -10.316 -6.621 0.527 1.00 0.00 O ATOM 145 CB PRO A 8 -7.920 -8.573 0.709 1.00 0.00 C ATOM 146 CG PRO A 8 -7.971 -9.800 1.554 1.00 0.00 C ATOM 147 CD PRO A 8 -7.562 -9.353 2.932 1.00 0.00 C ATOM 0 HA PRO A 8 -7.867 -6.502 1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.585 -8.655 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.916 -8.400 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.972 -10.231 1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.297 -10.567 1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.037 -9.953 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.485 -9.434 3.080 1.00 0.00 H new ATOM 155 N ILE A 9 -10.573 -7.498 2.596 1.00 0.00 N ATOM 156 CA ILE A 9 -12.005 -7.258 2.640 1.00 0.00 C ATOM 157 C ILE A 9 -12.301 -6.140 3.641 1.00 0.00 C ATOM 158 O ILE A 9 -13.418 -6.029 4.142 1.00 0.00 O ATOM 159 CB ILE A 9 -12.787 -8.527 3.030 1.00 0.00 C ATOM 160 CG1 ILE A 9 -12.360 -9.012 4.418 1.00 0.00 C ATOM 161 CG2 ILE A 9 -12.578 -9.620 1.993 1.00 0.00 C ATOM 162 CD1 ILE A 9 -13.273 -10.063 5.005 1.00 0.00 C ATOM 0 H ILE A 9 -10.190 -7.946 3.428 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.329 -6.964 1.642 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.849 -8.284 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.349 -9.416 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.322 -8.158 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.137 -10.509 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.929 -9.272 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.517 -9.863 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.905 -10.356 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.280 -9.658 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.293 -10.934 4.350 1.00 0.00 H new ATOM 174 N ALA A 10 -11.279 -5.339 3.903 1.00 0.00 N ATOM 175 CA ALA A 10 -11.438 -4.181 4.765 1.00 0.00 C ATOM 176 C ALA A 10 -10.569 -3.037 4.243 1.00 0.00 C ATOM 177 O ALA A 10 -9.394 -3.236 3.932 1.00 0.00 O ATOM 178 CB ALA A 10 -11.091 -4.565 6.207 1.00 0.00 C ATOM 0 H ALA A 10 -10.337 -5.469 3.533 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.473 -3.838 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.210 -3.696 6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.757 -5.361 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.059 -4.912 6.253 1.00 0.00 H new ATOM 184 N TYR A 11 -11.176 -1.862 4.160 1.00 0.00 N ATOM 185 CA TYR A 11 -10.469 -0.683 3.691 1.00 0.00 C ATOM 186 C TYR A 11 -10.355 0.367 4.797 1.00 0.00 C ATOM 187 O TYR A 11 -11.121 0.346 5.758 1.00 0.00 O ATOM 188 CB TYR A 11 -11.174 -0.091 2.468 1.00 0.00 C ATOM 189 CG TYR A 11 -12.604 0.328 2.728 1.00 0.00 C ATOM 190 CD1 TYR A 11 -12.898 1.589 3.226 1.00 0.00 C ATOM 191 CD2 TYR A 11 -13.656 -0.540 2.474 1.00 0.00 C ATOM 192 CE1 TYR A 11 -14.202 1.977 3.465 1.00 0.00 C ATOM 193 CE2 TYR A 11 -14.964 -0.163 2.710 1.00 0.00 C ATOM 194 CZ TYR A 11 -15.233 1.096 3.206 1.00 0.00 C ATOM 195 OH TYR A 11 -16.534 1.477 3.442 1.00 0.00 O ATOM 0 H TYR A 11 -12.152 -1.702 4.410 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.461 -0.985 3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.610 0.774 2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.162 -0.826 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.093 2.280 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.449 -1.526 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.414 2.963 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -15.772 -0.850 2.507 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.138 0.742 3.206 1.00 0.00 H new ATOM 205 N LYS A 12 -9.393 1.260 4.623 1.00 0.00 N ATOM 206 CA LYS A 12 -9.318 2.449 5.455 1.00 0.00 C ATOM 207 C LYS A 12 -9.475 3.692 4.576 1.00 0.00 C ATOM 208 O LYS A 12 -9.103 3.678 3.402 1.00 0.00 O ATOM 209 CB LYS A 12 -7.997 2.495 6.225 1.00 0.00 C ATOM 210 CG LYS A 12 -7.832 1.387 7.257 1.00 0.00 C ATOM 211 CD LYS A 12 -6.418 1.356 7.817 1.00 0.00 C ATOM 212 CE LYS A 12 -6.185 2.496 8.798 1.00 0.00 C ATOM 213 NZ LYS A 12 -4.867 2.384 9.478 1.00 0.00 N ATOM 0 H LYS A 12 -8.659 1.185 3.919 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.125 2.422 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.173 2.438 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.917 3.459 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.543 1.535 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.065 0.425 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.243 0.403 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.700 1.424 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.240 3.447 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.979 2.500 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.748 3.179 10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.823 1.488 10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.107 2.406 8.768 1.00 0.00 H new ATOM 226 N THR A 13 -10.027 4.737 5.175 1.00 0.00 N ATOM 227 CA THR A 13 -10.160 6.011 4.487 1.00 0.00 C ATOM 228 C THR A 13 -8.829 6.765 4.501 1.00 0.00 C ATOM 229 O THR A 13 -8.208 6.918 5.551 1.00 0.00 O ATOM 230 CB THR A 13 -11.253 6.888 5.126 1.00 0.00 C ATOM 231 OG1 THR A 13 -12.505 6.191 5.099 1.00 0.00 O ATOM 232 CG2 THR A 13 -11.390 8.201 4.373 1.00 0.00 C ATOM 0 H THR A 13 -10.387 4.728 6.129 1.00 0.00 H new ATOM 0 HA THR A 13 -10.449 5.798 3.458 1.00 0.00 H new ATOM 0 HB THR A 13 -10.971 7.101 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.199 6.749 5.507 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.167 8.808 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.442 8.739 4.404 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.659 7.999 3.336 1.00 0.00 H new ATOM 240 N CYS A 14 -8.430 7.218 3.320 1.00 0.00 N ATOM 241 CA CYS A 14 -7.137 7.858 3.164 1.00 0.00 C ATOM 242 C CYS A 14 -7.192 9.227 3.845 1.00 0.00 C ATOM 243 O CYS A 14 -8.238 9.874 3.862 1.00 0.00 O ATOM 244 CB CYS A 14 -6.993 7.998 1.648 1.00 0.00 C ATOM 245 SG CYS A 14 -6.776 6.433 0.768 1.00 0.00 S ATOM 0 H CYS A 14 -8.980 7.154 2.464 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.303 7.312 3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.877 8.501 1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.140 8.642 1.435 1.00 0.00 H new ATOM 250 N PRO A 15 -6.022 9.640 4.402 1.00 0.00 N ATOM 251 CA PRO A 15 -5.886 10.978 4.951 1.00 0.00 C ATOM 252 C PRO A 15 -5.882 12.030 3.838 1.00 0.00 C ATOM 253 O PRO A 15 -5.543 11.728 2.696 1.00 0.00 O ATOM 254 CB PRO A 15 -4.557 10.933 5.713 1.00 0.00 C ATOM 255 CG PRO A 15 -3.738 9.931 4.972 1.00 0.00 C ATOM 256 CD PRO A 15 -4.715 8.886 4.503 1.00 0.00 C ATOM 0 HA PRO A 15 -6.715 11.260 5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.073 11.910 5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.704 10.636 6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.221 10.391 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.974 9.494 5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.420 8.464 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.784 8.057 5.207 1.00 0.00 H new ATOM 264 N GLU A 16 -6.264 13.243 4.213 1.00 0.00 N ATOM 265 CA GLU A 16 -6.289 14.344 3.267 1.00 0.00 C ATOM 266 C GLU A 16 -4.900 14.556 2.659 1.00 0.00 C ATOM 267 O GLU A 16 -3.900 14.569 3.376 1.00 0.00 O ATOM 268 CB GLU A 16 -6.778 15.625 3.947 1.00 0.00 C ATOM 269 CG GLU A 16 -6.878 16.830 3.021 1.00 0.00 C ATOM 270 CD GLU A 16 -7.415 18.032 3.746 1.00 0.00 C ATOM 271 OE1 GLU A 16 -7.706 17.917 4.912 1.00 0.00 O ATOM 272 OE2 GLU A 16 -7.428 19.092 3.167 1.00 0.00 O ATOM 0 H GLU A 16 -6.558 13.486 5.159 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.984 14.095 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.758 15.437 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.102 15.867 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.894 17.059 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.527 16.591 2.178 1.00 0.00 H new ATOM 280 N GLY A 17 -4.882 14.714 1.344 1.00 0.00 N ATOM 281 CA GLY A 17 -3.637 14.951 0.635 1.00 0.00 C ATOM 282 C GLY A 17 -3.120 13.664 -0.011 1.00 0.00 C ATOM 283 O GLY A 17 -2.362 13.713 -0.979 1.00 0.00 O ATOM 0 H GLY A 17 -5.711 14.682 0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.790 15.711 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.890 15.341 1.326 1.00 0.00 H new ATOM 287 N LYS A 18 -3.550 12.543 0.551 1.00 0.00 N ATOM 288 CA LYS A 18 -3.203 11.247 -0.005 1.00 0.00 C ATOM 289 C LYS A 18 -4.259 10.839 -1.035 1.00 0.00 C ATOM 290 O LYS A 18 -5.413 11.259 -0.945 1.00 0.00 O ATOM 291 CB LYS A 18 -3.088 10.194 1.099 1.00 0.00 C ATOM 292 CG LYS A 18 -1.894 10.383 2.025 1.00 0.00 C ATOM 293 CD LYS A 18 -1.826 11.807 2.557 1.00 0.00 C ATOM 294 CE LYS A 18 -0.716 11.962 3.585 1.00 0.00 C ATOM 295 NZ LYS A 18 -0.607 13.361 4.081 1.00 0.00 N ATOM 0 H LYS A 18 -4.135 12.506 1.385 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.232 11.318 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.001 10.208 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.023 9.208 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.964 9.684 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.975 10.149 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.658 12.498 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.782 12.075 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.904 11.293 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.233 11.659 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.161 13.423 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.402 13.997 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.504 13.642 4.527 1.00 0.00 H new ATOM 308 N ASN A 19 -3.827 10.030 -1.989 1.00 0.00 N ATOM 309 CA ASN A 19 -4.637 9.757 -3.164 1.00 0.00 C ATOM 310 C ASN A 19 -4.261 8.388 -3.732 1.00 0.00 C ATOM 311 O ASN A 19 -5.092 7.714 -4.339 1.00 0.00 O ATOM 312 CB ASN A 19 -4.487 10.839 -4.217 1.00 0.00 C ATOM 313 CG ASN A 19 -5.334 10.616 -5.438 1.00 0.00 C ATOM 314 OD1 ASN A 19 -5.116 9.671 -6.205 1.00 0.00 O ATOM 315 ND2 ASN A 19 -6.244 11.527 -5.669 1.00 0.00 N ATOM 0 H ASN A 19 -2.925 9.554 -1.973 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.685 9.750 -2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.747 11.801 -3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.441 10.899 -4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.813 11.477 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.385 12.287 -5.004 1.00 0.00 H new ATOM 322 N LEU A 20 -3.007 8.016 -3.514 1.00 0.00 N ATOM 323 CA LEU A 20 -2.505 6.747 -4.013 1.00 0.00 C ATOM 324 C LEU A 20 -2.689 5.673 -2.941 1.00 0.00 C ATOM 325 O LEU A 20 -2.749 5.983 -1.751 1.00 0.00 O ATOM 326 CB LEU A 20 -1.031 6.870 -4.420 1.00 0.00 C ATOM 327 CG LEU A 20 -0.702 8.064 -5.325 1.00 0.00 C ATOM 328 CD1 LEU A 20 0.760 8.008 -5.751 1.00 0.00 C ATOM 329 CD2 LEU A 20 -1.618 8.051 -6.539 1.00 0.00 C ATOM 0 H LEU A 20 -2.324 8.572 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.069 6.461 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.426 6.942 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.734 5.954 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.863 8.992 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.985 8.860 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.398 8.041 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.945 7.083 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.383 8.900 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.473 7.125 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.656 8.119 -6.213 1.00 0.00 H new ATOM 341 N CYS A 21 -2.775 4.433 -3.398 1.00 0.00 N ATOM 342 CA CYS A 21 -2.771 3.298 -2.492 1.00 0.00 C ATOM 343 C CYS A 21 -1.451 2.544 -2.671 1.00 0.00 C ATOM 344 O CYS A 21 -1.024 2.294 -3.798 1.00 0.00 O ATOM 345 CB CYS A 21 -3.982 2.391 -2.715 1.00 0.00 C ATOM 346 SG CYS A 21 -5.604 3.195 -2.446 1.00 0.00 S ATOM 0 H CYS A 21 -2.848 4.189 -4.386 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.850 3.651 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.948 2.007 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.903 1.533 -2.048 1.00 0.00 H new ATOM 351 N TYR A 22 -0.844 2.200 -1.544 1.00 0.00 N ATOM 352 CA TYR A 22 0.458 1.559 -1.563 1.00 0.00 C ATOM 353 C TYR A 22 0.406 0.192 -0.879 1.00 0.00 C ATOM 354 O TYR A 22 -0.393 -0.020 0.032 1.00 0.00 O ATOM 355 CB TYR A 22 1.501 2.451 -0.886 1.00 0.00 C ATOM 356 CG TYR A 22 1.447 2.419 0.625 1.00 0.00 C ATOM 357 CD1 TYR A 22 2.135 1.450 1.342 1.00 0.00 C ATOM 358 CD2 TYR A 22 0.711 3.359 1.331 1.00 0.00 C ATOM 359 CE1 TYR A 22 2.089 1.416 2.723 1.00 0.00 C ATOM 360 CE2 TYR A 22 0.659 3.335 2.711 1.00 0.00 C ATOM 361 CZ TYR A 22 1.348 2.361 3.404 1.00 0.00 C ATOM 362 OH TYR A 22 1.301 2.333 4.778 1.00 0.00 O ATOM 0 H TYR A 22 -1.231 2.354 -0.613 1.00 0.00 H new ATOM 0 HA TYR A 22 0.746 1.408 -2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.495 2.142 -1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.360 3.478 -1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.716 0.710 0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.169 4.123 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.629 0.655 3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.082 4.075 3.245 1.00 0.00 H new ATOM 0 HH TYR A 22 0.737 3.067 5.101 1.00 0.00 H new ATOM 372 N LYS A 23 1.268 -0.701 -1.342 1.00 0.00 N ATOM 373 CA LYS A 23 1.472 -1.969 -0.663 1.00 0.00 C ATOM 374 C LYS A 23 2.973 -2.239 -0.536 1.00 0.00 C ATOM 375 O LYS A 23 3.738 -1.960 -1.457 1.00 0.00 O ATOM 376 CB LYS A 23 0.778 -3.108 -1.411 1.00 0.00 C ATOM 377 CG LYS A 23 1.233 -3.280 -2.855 1.00 0.00 C ATOM 378 CD LYS A 23 0.594 -4.504 -3.494 1.00 0.00 C ATOM 379 CE LYS A 23 -0.912 -4.517 -3.282 1.00 0.00 C ATOM 380 NZ LYS A 23 -1.563 -5.655 -3.987 1.00 0.00 N ATOM 0 H LYS A 23 1.834 -0.571 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 23 1.031 -1.914 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.954 -4.040 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.298 -2.932 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.973 -2.390 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.318 -3.375 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.813 -4.515 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.031 -5.408 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.128 -4.580 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.337 -3.579 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.589 -5.628 -3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.379 -5.582 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.177 -6.552 -3.629 1.00 0.00 H new ATOM 393 N MET A 24 3.348 -2.777 0.616 1.00 0.00 N ATOM 394 CA MET A 24 4.751 -3.018 0.906 1.00 0.00 C ATOM 395 C MET A 24 5.060 -4.517 0.918 1.00 0.00 C ATOM 396 O MET A 24 4.286 -5.309 1.453 1.00 0.00 O ATOM 397 CB MET A 24 5.126 -2.385 2.244 1.00 0.00 C ATOM 398 CG MET A 24 4.974 -0.871 2.289 1.00 0.00 C ATOM 399 SD MET A 24 5.711 -0.141 3.765 1.00 0.00 S ATOM 400 CE MET A 24 4.617 -0.770 5.035 1.00 0.00 C ATOM 0 H MET A 24 2.705 -3.052 1.358 1.00 0.00 H new ATOM 0 HA MET A 24 5.348 -2.559 0.118 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.506 -2.823 3.026 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.160 -2.641 2.476 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.438 -0.437 1.403 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.915 -0.615 2.252 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.664 -0.121 5.910 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.595 -0.794 4.656 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.925 -1.778 5.314 1.00 0.00 H new ATOM 410 N PHE A 25 6.193 -4.860 0.325 1.00 0.00 N ATOM 411 CA PHE A 25 6.673 -6.231 0.364 1.00 0.00 C ATOM 412 C PHE A 25 7.969 -6.335 1.173 1.00 0.00 C ATOM 413 O PHE A 25 8.581 -5.320 1.503 1.00 0.00 O ATOM 414 CB PHE A 25 6.954 -6.648 -1.080 1.00 0.00 C ATOM 415 CG PHE A 25 5.723 -6.614 -1.989 1.00 0.00 C ATOM 416 CD1 PHE A 25 5.302 -5.434 -2.517 1.00 0.00 C ATOM 417 CD2 PHE A 25 5.051 -7.762 -2.267 1.00 0.00 C ATOM 418 CE1 PHE A 25 4.160 -5.401 -3.361 1.00 0.00 C ATOM 419 CE2 PHE A 25 3.908 -7.729 -3.110 1.00 0.00 C ATOM 420 CZ PHE A 25 3.487 -6.550 -3.639 1.00 0.00 C ATOM 0 H PHE A 25 6.793 -4.212 -0.186 1.00 0.00 H new ATOM 0 HA PHE A 25 5.928 -6.872 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.718 -5.990 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.367 -7.657 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.836 -4.522 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.386 -8.699 -1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.826 -4.464 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.373 -8.641 -3.331 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.618 -6.525 -4.280 1.00 0.00 H new ATOM 430 N MET A 26 8.347 -7.570 1.469 1.00 0.00 N ATOM 431 CA MET A 26 9.692 -7.848 1.941 1.00 0.00 C ATOM 432 C MET A 26 10.426 -8.789 0.982 1.00 0.00 C ATOM 433 O MET A 26 9.821 -9.691 0.408 1.00 0.00 O ATOM 434 CB MET A 26 9.643 -8.448 3.345 1.00 0.00 C ATOM 435 CG MET A 26 9.041 -7.530 4.401 1.00 0.00 C ATOM 436 SD MET A 26 8.962 -8.303 6.029 1.00 0.00 S ATOM 437 CE MET A 26 8.221 -6.988 6.992 1.00 0.00 C ATOM 0 H MET A 26 7.745 -8.389 1.391 1.00 0.00 H new ATOM 0 HA MET A 26 10.243 -6.908 1.978 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.065 -9.372 3.312 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.655 -8.716 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.634 -6.618 4.465 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.037 -7.237 4.093 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.454 -7.134 8.047 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.617 -6.028 6.662 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.140 -7.001 6.854 1.00 0.00 H new ATOM 447 N MET A 27 11.721 -8.542 0.840 1.00 0.00 N ATOM 448 CA MET A 27 12.516 -9.266 -0.137 1.00 0.00 C ATOM 449 C MET A 27 12.275 -10.773 -0.033 1.00 0.00 C ATOM 450 O MET A 27 12.417 -11.496 -1.018 1.00 0.00 O ATOM 451 CB MET A 27 13.998 -8.948 0.055 1.00 0.00 C ATOM 452 CG MET A 27 14.412 -7.564 -0.423 1.00 0.00 C ATOM 453 SD MET A 27 14.100 -7.313 -2.181 1.00 0.00 S ATOM 454 CE MET A 27 15.268 -8.464 -2.900 1.00 0.00 C ATOM 0 H MET A 27 12.238 -7.852 1.385 1.00 0.00 H new ATOM 0 HA MET A 27 12.211 -8.945 -1.133 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.243 -9.042 1.113 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.589 -9.694 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.872 -6.810 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.473 -7.417 -0.222 1.00 0.00 H new ATOM 0 HE1 MET A 27 15.391 -8.243 -3.960 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.230 -8.369 -2.396 1.00 0.00 H new ATOM 0 HE3 MET A 27 14.896 -9.482 -2.782 1.00 0.00 H new ATOM 464 N SER A 28 11.911 -11.200 1.167 1.00 0.00 N ATOM 465 CA SER A 28 11.452 -12.566 1.367 1.00 0.00 C ATOM 466 C SER A 28 10.184 -12.815 0.548 1.00 0.00 C ATOM 467 O SER A 28 10.232 -13.471 -0.492 1.00 0.00 O ATOM 468 CB SER A 28 11.203 -12.826 2.839 1.00 0.00 C ATOM 469 OG SER A 28 10.747 -14.131 3.073 1.00 0.00 O ATOM 0 H SER A 28 11.924 -10.626 2.010 1.00 0.00 H new ATOM 0 HA SER A 28 12.225 -13.255 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.124 -12.658 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.469 -12.113 3.214 1.00 0.00 H new ATOM 0 HG SER A 28 10.600 -14.259 4.033 1.00 0.00 H new ATOM 475 N ASP A 29 9.080 -12.281 1.047 1.00 0.00 N ATOM 476 CA ASP A 29 7.785 -12.530 0.438 1.00 0.00 C ATOM 477 C ASP A 29 7.491 -11.438 -0.594 1.00 0.00 C ATOM 478 O ASP A 29 6.838 -10.445 -0.282 1.00 0.00 O ATOM 479 CB ASP A 29 6.683 -12.583 1.500 1.00 0.00 C ATOM 480 CG ASP A 29 5.315 -12.987 0.967 1.00 0.00 C ATOM 481 OD1 ASP A 29 5.210 -13.251 -0.207 1.00 0.00 O ATOM 482 OD2 ASP A 29 4.426 -13.181 1.761 1.00 0.00 O ATOM 0 H ASP A 29 9.055 -11.676 1.868 1.00 0.00 H new ATOM 0 HA ASP A 29 7.808 -13.498 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.979 -13.287 2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.601 -11.603 1.971 1.00 0.00 H new ATOM 488 N LEU A 30 7.991 -11.660 -1.801 1.00 0.00 N ATOM 489 CA LEU A 30 7.710 -10.758 -2.904 1.00 0.00 C ATOM 490 C LEU A 30 6.307 -11.043 -3.444 1.00 0.00 C ATOM 491 O LEU A 30 5.710 -10.196 -4.109 1.00 0.00 O ATOM 492 CB LEU A 30 8.764 -10.910 -4.007 1.00 0.00 C ATOM 493 CG LEU A 30 9.989 -9.996 -3.868 1.00 0.00 C ATOM 494 CD1 LEU A 30 9.917 -9.221 -2.560 1.00 0.00 C ATOM 495 CD2 LEU A 30 11.257 -10.834 -3.930 1.00 0.00 C ATOM 0 H LEU A 30 8.589 -12.451 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 30 7.751 -9.728 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.103 -11.946 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.291 -10.714 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 30 10.002 -9.278 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.791 -8.575 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.013 -8.612 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.895 -9.920 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.127 -10.185 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.253 -11.561 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.301 -11.357 -4.885 1.00 0.00 H new ATOM 507 N THR A 31 5.818 -12.234 -3.136 1.00 0.00 N ATOM 508 CA THR A 31 4.571 -12.705 -3.714 1.00 0.00 C ATOM 509 C THR A 31 3.385 -11.958 -3.100 1.00 0.00 C ATOM 510 O THR A 31 2.482 -11.524 -3.814 1.00 0.00 O ATOM 511 CB THR A 31 4.386 -14.219 -3.506 1.00 0.00 C ATOM 512 OG1 THR A 31 5.465 -14.926 -4.132 1.00 0.00 O ATOM 513 CG2 THR A 31 3.067 -14.683 -4.105 1.00 0.00 C ATOM 0 H THR A 31 6.263 -12.888 -2.493 1.00 0.00 H new ATOM 0 HA THR A 31 4.613 -12.509 -4.785 1.00 0.00 H new ATOM 0 HB THR A 31 4.380 -14.425 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.347 -15.889 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.954 -15.756 -3.948 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.243 -14.157 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.058 -14.469 -5.174 1.00 0.00 H new ATOM 521 N ILE A 32 3.425 -11.831 -1.782 1.00 0.00 N ATOM 522 CA ILE A 32 2.310 -11.253 -1.051 1.00 0.00 C ATOM 523 C ILE A 32 2.812 -10.086 -0.200 1.00 0.00 C ATOM 524 O ILE A 32 3.740 -10.246 0.592 1.00 0.00 O ATOM 525 CB ILE A 32 1.613 -12.291 -0.152 1.00 0.00 C ATOM 526 CG1 ILE A 32 0.970 -13.388 -1.005 1.00 0.00 C ATOM 527 CG2 ILE A 32 0.572 -11.618 0.729 1.00 0.00 C ATOM 528 CD1 ILE A 32 -0.133 -12.891 -1.911 1.00 0.00 C ATOM 0 H ILE A 32 4.212 -12.119 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 32 1.577 -10.901 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 32 2.362 -12.751 0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.741 -13.861 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.567 -14.158 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.089 -12.366 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.056 -10.872 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.176 -11.133 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.538 -13.726 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.925 -12.445 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.268 -12.143 -2.596 1.00 0.00 H new ATOM 540 N PRO A 33 2.160 -8.909 -0.395 1.00 0.00 N ATOM 541 CA PRO A 33 2.507 -7.725 0.374 1.00 0.00 C ATOM 542 C PRO A 33 2.064 -7.868 1.830 1.00 0.00 C ATOM 543 O PRO A 33 1.163 -8.648 2.136 1.00 0.00 O ATOM 544 CB PRO A 33 1.775 -6.588 -0.347 1.00 0.00 C ATOM 545 CG PRO A 33 0.595 -7.245 -0.977 1.00 0.00 C ATOM 546 CD PRO A 33 1.071 -8.614 -1.382 1.00 0.00 C ATOM 0 HA PRO A 33 3.581 -7.548 0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.470 -5.808 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.413 -6.116 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.239 -7.310 -0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.244 -6.679 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.269 -9.351 -1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.444 -8.623 -2.406 1.00 0.00 H new ATOM 554 N VAL A 34 2.717 -7.102 2.692 1.00 0.00 N ATOM 555 CA VAL A 34 2.661 -7.364 4.120 1.00 0.00 C ATOM 556 C VAL A 34 1.880 -6.244 4.809 1.00 0.00 C ATOM 557 O VAL A 34 1.322 -6.443 5.887 1.00 0.00 O ATOM 558 CB VAL A 34 4.067 -7.476 4.740 1.00 0.00 C ATOM 559 CG1 VAL A 34 4.873 -8.559 4.038 1.00 0.00 C ATOM 560 CG2 VAL A 34 4.791 -6.140 4.664 1.00 0.00 C ATOM 0 H VAL A 34 3.288 -6.299 2.428 1.00 0.00 H new ATOM 0 HA VAL A 34 2.159 -8.320 4.268 1.00 0.00 H new ATOM 0 HB VAL A 34 3.960 -7.751 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.863 -8.625 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.363 -9.517 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.971 -8.312 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.782 -6.238 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.887 -5.837 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.223 -5.387 5.210 1.00 0.00 H new ATOM 570 N LYS A 35 1.868 -5.089 4.160 1.00 0.00 N ATOM 571 CA LYS A 35 1.146 -3.942 4.687 1.00 0.00 C ATOM 572 C LYS A 35 0.639 -3.086 3.525 1.00 0.00 C ATOM 573 O LYS A 35 1.303 -2.974 2.495 1.00 0.00 O ATOM 574 CB LYS A 35 2.037 -3.118 5.618 1.00 0.00 C ATOM 575 CG LYS A 35 2.277 -3.751 6.982 1.00 0.00 C ATOM 576 CD LYS A 35 2.796 -2.730 7.983 1.00 0.00 C ATOM 577 CE LYS A 35 1.669 -1.859 8.521 1.00 0.00 C ATOM 578 NZ LYS A 35 2.123 -0.992 9.643 1.00 0.00 N ATOM 0 H LYS A 35 2.346 -4.922 3.275 1.00 0.00 H new ATOM 0 HA LYS A 35 0.296 -4.294 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.999 -2.957 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.584 -2.137 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.348 -4.186 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.994 -4.566 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.287 -3.245 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.549 -2.101 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.276 -1.236 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.851 -2.494 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.326 -0.415 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.474 -1.586 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.886 -0.368 9.312 1.00 0.00 H new ATOM 591 N ARG A 36 -0.533 -2.503 3.728 1.00 0.00 N ATOM 592 CA ARG A 36 -1.142 -1.669 2.705 1.00 0.00 C ATOM 593 C ARG A 36 -1.877 -0.493 3.350 1.00 0.00 C ATOM 594 O ARG A 36 -2.401 -0.613 4.455 1.00 0.00 O ATOM 595 CB ARG A 36 -2.128 -2.473 1.855 1.00 0.00 C ATOM 596 CG ARG A 36 -1.407 -3.568 1.065 1.00 0.00 C ATOM 597 CD ARG A 36 -1.533 -4.922 1.766 1.00 0.00 C ATOM 598 NE ARG A 36 -2.954 -5.339 1.808 1.00 0.00 N ATOM 599 CZ ARG A 36 -3.557 -6.050 0.845 1.00 0.00 C ATOM 600 NH1 ARG A 36 -4.849 -6.383 0.967 1.00 0.00 N ATOM 601 NH2 ARG A 36 -2.867 -6.429 -0.239 1.00 0.00 N ATOM 0 H ARG A 36 -1.078 -2.591 4.586 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.345 -1.296 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.885 -2.922 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.648 -1.806 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.827 -3.634 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.354 -3.308 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.941 -5.670 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.135 -4.855 2.778 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.508 -5.068 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.374 -6.095 1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.308 -6.924 0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.883 -6.176 -0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.326 -6.970 -0.972 1.00 0.00 H new ATOM 614 N GLY A 37 -1.890 0.620 2.629 1.00 0.00 N ATOM 615 CA GLY A 37 -2.506 1.833 3.138 1.00 0.00 C ATOM 616 C GLY A 37 -2.558 2.918 2.058 1.00 0.00 C ATOM 617 O GLY A 37 -2.391 2.627 0.875 1.00 0.00 O ATOM 0 H GLY A 37 -1.484 0.706 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.515 1.614 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.944 2.197 3.998 1.00 0.00 H new ATOM 621 N CYS A 38 -2.791 4.142 2.505 1.00 0.00 N ATOM 622 CA CYS A 38 -2.863 5.270 1.593 1.00 0.00 C ATOM 623 C CYS A 38 -1.532 6.024 1.656 1.00 0.00 C ATOM 624 O CYS A 38 -0.817 5.947 2.654 1.00 0.00 O ATOM 625 CB CYS A 38 -4.050 6.181 1.911 1.00 0.00 C ATOM 626 SG CYS A 38 -5.661 5.323 2.040 1.00 0.00 S ATOM 0 H CYS A 38 -2.932 4.378 3.487 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.029 4.910 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.853 6.697 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.122 6.945 1.137 1.00 0.00 H new ATOM 631 N ILE A 39 -1.240 6.735 0.578 1.00 0.00 N ATOM 632 CA ILE A 39 -0.113 7.651 0.568 1.00 0.00 C ATOM 633 C ILE A 39 -0.288 8.658 -0.573 1.00 0.00 C ATOM 634 O ILE A 39 -1.040 8.409 -1.513 1.00 0.00 O ATOM 635 CB ILE A 39 1.228 6.911 0.407 1.00 0.00 C ATOM 636 CG1 ILE A 39 2.396 7.844 0.734 1.00 0.00 C ATOM 637 CG2 ILE A 39 1.364 6.355 -1.002 1.00 0.00 C ATOM 638 CD1 ILE A 39 3.667 7.121 1.119 1.00 0.00 C ATOM 0 H ILE A 39 -1.765 6.695 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.091 8.168 1.527 1.00 0.00 H new ATOM 0 HB ILE A 39 1.249 6.076 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.597 8.476 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.103 8.504 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.317 5.835 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.549 5.658 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.323 7.173 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.448 7.849 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.485 6.510 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.986 6.482 0.296 1.00 0.00 H new ATOM 650 N ASP A 40 0.419 9.771 -0.450 1.00 0.00 N ATOM 651 CA ASP A 40 0.340 10.821 -1.452 1.00 0.00 C ATOM 652 C ASP A 40 1.400 10.576 -2.527 1.00 0.00 C ATOM 653 O ASP A 40 1.090 10.553 -3.716 1.00 0.00 O ATOM 654 CB ASP A 40 0.524 12.199 -0.813 1.00 0.00 C ATOM 655 CG ASP A 40 1.754 12.321 0.077 1.00 0.00 C ATOM 656 OD1 ASP A 40 2.365 11.316 0.353 1.00 0.00 O ATOM 657 OD2 ASP A 40 2.162 13.425 0.344 1.00 0.00 O ATOM 0 H ASP A 40 1.049 9.969 0.327 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.648 10.800 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.587 12.947 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.362 12.433 -0.222 1.00 0.00 H new ATOM 663 N VAL A 41 2.630 10.397 -2.070 1.00 0.00 N ATOM 664 CA VAL A 41 3.750 10.229 -2.980 1.00 0.00 C ATOM 665 C VAL A 41 4.334 8.825 -2.809 1.00 0.00 C ATOM 666 O VAL A 41 4.706 8.434 -1.704 1.00 0.00 O ATOM 667 CB VAL A 41 4.849 11.281 -2.740 1.00 0.00 C ATOM 668 CG1 VAL A 41 6.007 11.071 -3.704 1.00 0.00 C ATOM 669 CG2 VAL A 41 4.283 12.685 -2.886 1.00 0.00 C ATOM 0 H VAL A 41 2.876 10.365 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 41 3.381 10.364 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 41 5.222 11.164 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.774 11.823 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.429 10.077 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.648 11.162 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.073 13.416 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.884 12.814 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.486 12.834 -2.158 1.00 0.00 H new ATOM 679 N CYS A 42 4.395 8.105 -3.921 1.00 0.00 N ATOM 680 CA CYS A 42 4.860 6.728 -3.896 1.00 0.00 C ATOM 681 C CYS A 42 6.362 6.733 -3.606 1.00 0.00 C ATOM 682 O CYS A 42 7.141 7.304 -4.367 1.00 0.00 O ATOM 683 CB CYS A 42 4.530 5.997 -5.198 1.00 0.00 C ATOM 684 SG CYS A 42 4.967 4.221 -5.212 1.00 0.00 S ATOM 0 H CYS A 42 4.130 8.449 -4.844 1.00 0.00 H new ATOM 0 HA CYS A 42 4.343 6.180 -3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.462 6.096 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.051 6.491 -6.018 1.00 0.00 H new ATOM 689 N PRO A 43 6.731 6.072 -2.477 1.00 0.00 N ATOM 690 CA PRO A 43 8.129 5.990 -2.083 1.00 0.00 C ATOM 691 C PRO A 43 8.894 5.013 -2.978 1.00 0.00 C ATOM 692 O PRO A 43 8.349 3.994 -3.400 1.00 0.00 O ATOM 693 CB PRO A 43 8.076 5.523 -0.624 1.00 0.00 C ATOM 694 CG PRO A 43 6.810 4.743 -0.529 1.00 0.00 C ATOM 695 CD PRO A 43 5.852 5.424 -1.469 1.00 0.00 C ATOM 0 HA PRO A 43 8.658 6.937 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.941 4.909 -0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.074 6.369 0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.967 3.702 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.425 4.740 0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.173 4.709 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.236 6.157 -0.948 1.00 0.00 H new ATOM 703 N LYS A 44 10.146 5.360 -3.241 1.00 0.00 N ATOM 704 CA LYS A 44 10.990 4.530 -4.082 1.00 0.00 C ATOM 705 C LYS A 44 11.313 3.227 -3.347 1.00 0.00 C ATOM 706 O LYS A 44 11.195 3.156 -2.125 1.00 0.00 O ATOM 707 CB LYS A 44 12.274 5.268 -4.464 1.00 0.00 C ATOM 708 CG LYS A 44 12.059 6.480 -5.360 1.00 0.00 C ATOM 709 CD LYS A 44 13.375 7.171 -5.684 1.00 0.00 C ATOM 710 CE LYS A 44 13.168 8.346 -6.627 1.00 0.00 C ATOM 711 NZ LYS A 44 14.448 9.034 -6.948 1.00 0.00 N ATOM 0 H LYS A 44 10.595 6.204 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 44 10.456 4.299 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.779 5.590 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.943 4.571 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.572 6.169 -6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.388 7.184 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.841 7.520 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.061 6.456 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.704 7.994 -7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.477 9.057 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.263 9.828 -7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.879 9.393 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.098 8.362 -7.404 1.00 0.00 H new ATOM 724 N ASN A 45 11.711 2.229 -4.122 1.00 0.00 N ATOM 725 CA ASN A 45 11.919 0.899 -3.580 1.00 0.00 C ATOM 726 C ASN A 45 13.207 0.884 -2.753 1.00 0.00 C ATOM 727 O ASN A 45 14.172 1.570 -3.089 1.00 0.00 O ATOM 728 CB ASN A 45 11.964 -0.154 -4.673 1.00 0.00 C ATOM 729 CG ASN A 45 10.651 -0.350 -5.379 1.00 0.00 C ATOM 730 OD1 ASN A 45 9.579 -0.079 -4.826 1.00 0.00 O ATOM 731 ND2 ASN A 45 10.725 -0.895 -6.566 1.00 0.00 N ATOM 0 H ASN A 45 11.895 2.316 -5.122 1.00 0.00 H new ATOM 0 HA ASN A 45 11.074 0.651 -2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.721 0.127 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.278 -1.103 -4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.872 -1.116 -7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.636 -1.099 -6.978 1.00 0.00 H new ATOM 738 N SER A 46 13.182 0.093 -1.690 1.00 0.00 N ATOM 739 CA SER A 46 14.356 -0.065 -0.848 1.00 0.00 C ATOM 740 C SER A 46 14.943 -1.466 -1.025 1.00 0.00 C ATOM 741 O SER A 46 14.391 -2.286 -1.757 1.00 0.00 O ATOM 742 CB SER A 46 14.001 0.192 0.603 1.00 0.00 C ATOM 743 OG SER A 46 13.156 -0.799 1.122 1.00 0.00 O ATOM 0 H SER A 46 12.368 -0.445 -1.393 1.00 0.00 H new ATOM 0 HA SER A 46 15.109 0.664 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.914 0.237 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.516 1.164 0.690 1.00 0.00 H new ATOM 0 HG SER A 46 12.436 -0.982 0.483 1.00 0.00 H new ATOM 749 N LEU A 47 16.055 -1.698 -0.343 1.00 0.00 N ATOM 750 CA LEU A 47 16.756 -2.965 -0.464 1.00 0.00 C ATOM 751 C LEU A 47 16.009 -4.034 0.336 1.00 0.00 C ATOM 752 O LEU A 47 16.070 -5.217 0.004 1.00 0.00 O ATOM 753 CB LEU A 47 18.204 -2.827 0.021 1.00 0.00 C ATOM 754 CG LEU A 47 19.079 -1.867 -0.795 1.00 0.00 C ATOM 755 CD1 LEU A 47 20.447 -1.724 -0.143 1.00 0.00 C ATOM 756 CD2 LEU A 47 19.211 -2.386 -2.219 1.00 0.00 C ATOM 0 H LEU A 47 16.488 -1.030 0.295 1.00 0.00 H new ATOM 0 HA LEU A 47 16.786 -3.264 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.192 -2.490 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.669 -3.813 0.012 1.00 0.00 H new ATOM 0 HG LEU A 47 18.611 -0.883 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.060 -1.040 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.330 -1.330 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.932 -2.699 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 47 19.833 -1.704 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.672 -3.374 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.223 -2.453 -2.675 1.00 0.00 H new ATOM 768 N LEU A 48 15.321 -3.580 1.373 1.00 0.00 N ATOM 769 CA LEU A 48 14.702 -4.493 2.318 1.00 0.00 C ATOM 770 C LEU A 48 13.246 -4.728 1.915 1.00 0.00 C ATOM 771 O LEU A 48 12.792 -5.869 1.849 1.00 0.00 O ATOM 772 CB LEU A 48 14.795 -3.938 3.745 1.00 0.00 C ATOM 773 CG LEU A 48 16.220 -3.743 4.278 1.00 0.00 C ATOM 774 CD1 LEU A 48 16.177 -3.113 5.664 1.00 0.00 C ATOM 775 CD2 LEU A 48 16.935 -5.085 4.318 1.00 0.00 C ATOM 0 H LEU A 48 15.179 -2.591 1.579 1.00 0.00 H new ATOM 0 HA LEU A 48 15.232 -5.445 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.277 -2.980 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.262 -4.612 4.416 1.00 0.00 H new ATOM 0 HG LEU A 48 16.768 -3.073 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.193 -2.978 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.680 -2.145 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.627 -3.765 6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.948 -4.947 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.393 -5.767 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.978 -5.505 3.313 1.00 0.00 H new ATOM 787 N VAL A 49 12.553 -3.629 1.655 1.00 0.00 N ATOM 788 CA VAL A 49 11.134 -3.694 1.353 1.00 0.00 C ATOM 789 C VAL A 49 10.873 -3.028 0.000 1.00 0.00 C ATOM 790 O VAL A 49 11.551 -2.068 -0.364 1.00 0.00 O ATOM 791 CB VAL A 49 10.284 -3.011 2.442 1.00 0.00 C ATOM 792 CG1 VAL A 49 10.401 -3.763 3.759 1.00 0.00 C ATOM 793 CG2 VAL A 49 10.709 -1.562 2.619 1.00 0.00 C ATOM 0 H VAL A 49 12.948 -2.689 1.647 1.00 0.00 H new ATOM 0 HA VAL A 49 10.844 -4.744 1.318 1.00 0.00 H new ATOM 0 HB VAL A 49 9.241 -3.029 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.794 -3.267 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.050 -4.786 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.443 -3.776 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.098 -1.095 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.758 -1.524 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.576 -1.026 1.679 1.00 0.00 H new ATOM 803 N LYS A 50 9.891 -3.564 -0.709 1.00 0.00 N ATOM 804 CA LYS A 50 9.522 -3.023 -2.006 1.00 0.00 C ATOM 805 C LYS A 50 8.203 -2.259 -1.878 1.00 0.00 C ATOM 806 O LYS A 50 7.325 -2.652 -1.112 1.00 0.00 O ATOM 807 CB LYS A 50 9.406 -4.137 -3.048 1.00 0.00 C ATOM 808 CG LYS A 50 8.976 -3.663 -4.430 1.00 0.00 C ATOM 809 CD LYS A 50 8.841 -4.829 -5.397 1.00 0.00 C ATOM 810 CE LYS A 50 8.366 -4.363 -6.766 1.00 0.00 C ATOM 811 NZ LYS A 50 8.186 -5.499 -7.710 1.00 0.00 N ATOM 0 H LYS A 50 9.339 -4.368 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 50 10.301 -2.339 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.369 -4.640 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.690 -4.878 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.024 -3.137 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.705 -2.951 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.802 -5.335 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.137 -5.558 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.423 -3.827 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.088 -3.659 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.862 -5.138 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.092 -5.995 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.478 -6.159 -7.328 1.00 0.00 H new ATOM 824 N TYR A 51 8.105 -1.180 -2.642 1.00 0.00 N ATOM 825 CA TYR A 51 6.923 -0.336 -2.595 1.00 0.00 C ATOM 826 C TYR A 51 6.188 -0.347 -3.938 1.00 0.00 C ATOM 827 O TYR A 51 6.793 -0.111 -4.983 1.00 0.00 O ATOM 828 CB TYR A 51 7.307 1.096 -2.213 1.00 0.00 C ATOM 829 CG TYR A 51 7.899 1.222 -0.827 1.00 0.00 C ATOM 830 CD1 TYR A 51 9.271 1.175 -0.631 1.00 0.00 C ATOM 831 CD2 TYR A 51 7.083 1.391 0.282 1.00 0.00 C ATOM 832 CE1 TYR A 51 9.818 1.290 0.633 1.00 0.00 C ATOM 833 CE2 TYR A 51 7.617 1.507 1.550 1.00 0.00 C ATOM 834 CZ TYR A 51 8.986 1.456 1.721 1.00 0.00 C ATOM 835 OH TYR A 51 9.524 1.573 2.983 1.00 0.00 O ATOM 0 H TYR A 51 8.824 -0.871 -3.296 1.00 0.00 H new ATOM 0 HA TYR A 51 6.251 -0.736 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.025 1.476 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.422 1.729 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.924 1.046 -1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.012 1.433 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.889 1.250 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.968 1.637 2.403 1.00 0.00 H new ATOM 0 HH TYR A 51 8.803 1.685 3.637 1.00 0.00 H new ATOM 845 N VAL A 52 4.894 -0.624 -3.865 1.00 0.00 N ATOM 846 CA VAL A 52 4.040 -0.520 -5.037 1.00 0.00 C ATOM 847 C VAL A 52 2.860 0.400 -4.720 1.00 0.00 C ATOM 848 O VAL A 52 2.206 0.247 -3.688 1.00 0.00 O ATOM 849 CB VAL A 52 3.519 -1.896 -5.493 1.00 0.00 C ATOM 850 CG1 VAL A 52 2.657 -1.753 -6.738 1.00 0.00 C ATOM 851 CG2 VAL A 52 4.680 -2.844 -5.756 1.00 0.00 C ATOM 0 H VAL A 52 4.416 -0.920 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 52 4.634 -0.107 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 52 2.906 -2.314 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.297 -2.735 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.807 -1.107 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.249 -1.314 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.294 -3.811 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.318 -2.430 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.261 -2.970 -4.842 1.00 0.00 H new ATOM 861 N CYS A 53 2.620 1.334 -5.627 1.00 0.00 N ATOM 862 CA CYS A 53 1.507 2.256 -5.475 1.00 0.00 C ATOM 863 C CYS A 53 0.586 2.102 -6.689 1.00 0.00 C ATOM 864 O CYS A 53 1.014 1.627 -7.740 1.00 0.00 O ATOM 865 CB CYS A 53 1.986 3.699 -5.303 1.00 0.00 C ATOM 866 SG CYS A 53 3.325 3.923 -4.076 1.00 0.00 S ATOM 0 H CYS A 53 3.177 1.473 -6.470 1.00 0.00 H new ATOM 0 HA CYS A 53 0.954 2.015 -4.567 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.331 4.070 -6.268 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.137 4.316 -5.010 1.00 0.00 H new ATOM 871 N CYS A 54 -0.660 2.510 -6.502 1.00 0.00 N ATOM 872 CA CYS A 54 -1.616 2.522 -7.595 1.00 0.00 C ATOM 873 C CYS A 54 -2.673 3.588 -7.298 1.00 0.00 C ATOM 874 O CYS A 54 -3.012 3.826 -6.139 1.00 0.00 O ATOM 875 CB CYS A 54 -2.242 1.143 -7.814 1.00 0.00 C ATOM 876 SG CYS A 54 -2.833 0.317 -6.292 1.00 0.00 S ATOM 0 H CYS A 54 -1.030 2.835 -5.609 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.105 2.768 -8.526 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.080 1.245 -8.504 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.508 0.499 -8.298 1.00 0.00 H new ATOM 881 N ASN A 55 -3.167 4.199 -8.364 1.00 0.00 N ATOM 882 CA ASN A 55 -3.803 5.501 -8.253 1.00 0.00 C ATOM 883 C ASN A 55 -5.321 5.332 -8.346 1.00 0.00 C ATOM 884 O ASN A 55 -6.016 6.208 -8.859 1.00 0.00 O ATOM 885 CB ASN A 55 -3.300 6.467 -9.310 1.00 0.00 C ATOM 886 CG ASN A 55 -3.589 6.027 -10.719 1.00 0.00 C ATOM 887 OD1 ASN A 55 -4.008 4.890 -10.962 1.00 0.00 O ATOM 888 ND2 ASN A 55 -3.293 6.894 -11.653 1.00 0.00 N ATOM 0 H ASN A 55 -3.140 3.817 -9.309 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.544 5.930 -7.285 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.755 7.443 -9.143 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.224 6.593 -9.192 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.405 6.643 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.950 7.820 -11.399 1.00 0.00 H new ATOM 895 N THR A 56 -5.790 4.201 -7.842 1.00 0.00 N ATOM 896 CA THR A 56 -7.219 3.941 -7.791 1.00 0.00 C ATOM 897 C THR A 56 -7.607 3.359 -6.429 1.00 0.00 C ATOM 898 O THR A 56 -6.740 3.052 -5.613 1.00 0.00 O ATOM 899 CB THR A 56 -7.660 2.975 -8.907 1.00 0.00 C ATOM 900 OG1 THR A 56 -6.924 1.750 -8.799 1.00 0.00 O ATOM 901 CG2 THR A 56 -7.413 3.592 -10.274 1.00 0.00 C ATOM 0 H THR A 56 -5.207 3.454 -7.465 1.00 0.00 H new ATOM 0 HA THR A 56 -7.729 4.893 -7.940 1.00 0.00 H new ATOM 0 HB THR A 56 -8.726 2.777 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.206 1.135 -9.508 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.730 2.896 -11.050 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.981 4.518 -10.363 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.350 3.805 -10.390 1.00 0.00 H new ATOM 909 N ASP A 57 -8.909 3.225 -6.229 1.00 0.00 N ATOM 910 CA ASP A 57 -9.429 2.835 -4.930 1.00 0.00 C ATOM 911 C ASP A 57 -9.293 1.320 -4.764 1.00 0.00 C ATOM 912 O ASP A 57 -9.540 0.565 -5.702 1.00 0.00 O ATOM 913 CB ASP A 57 -10.890 3.267 -4.774 1.00 0.00 C ATOM 914 CG ASP A 57 -11.084 4.764 -4.574 1.00 0.00 C ATOM 915 OD1 ASP A 57 -10.496 5.304 -3.667 1.00 0.00 O ATOM 916 OD2 ASP A 57 -11.690 5.382 -5.416 1.00 0.00 O ATOM 0 H ASP A 57 -9.619 3.379 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.852 3.335 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.445 2.956 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.324 2.740 -3.924 1.00 0.00 H new ATOM 922 N ARG A 58 -8.901 0.922 -3.562 1.00 0.00 N ATOM 923 CA ARG A 58 -8.904 -0.485 -3.202 1.00 0.00 C ATOM 924 C ARG A 58 -8.164 -1.306 -4.260 1.00 0.00 C ATOM 925 O ARG A 58 -8.553 -2.434 -4.561 1.00 0.00 O ATOM 926 CB ARG A 58 -10.310 -1.014 -2.956 1.00 0.00 C ATOM 927 CG ARG A 58 -11.075 -0.304 -1.850 1.00 0.00 C ATOM 928 CD ARG A 58 -12.294 -1.019 -1.394 1.00 0.00 C ATOM 929 NE ARG A 58 -12.039 -2.311 -0.776 1.00 0.00 N ATOM 930 CZ ARG A 58 -12.987 -3.228 -0.502 1.00 0.00 C ATOM 931 NH1 ARG A 58 -14.255 -2.988 -0.753 1.00 0.00 N ATOM 932 NH2 ARG A 58 -12.611 -4.369 0.050 1.00 0.00 N ATOM 0 H ARG A 58 -8.579 1.550 -2.825 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.372 -0.588 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.880 -0.934 -3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.246 -2.074 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.411 -0.163 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.360 0.688 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.825 -0.388 -0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.956 -1.163 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.075 -2.539 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.534 -2.096 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.960 -3.694 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.626 -4.535 0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.306 -5.083 0.269 1.00 0.00 H new ATOM 945 N CYS A 59 -7.109 -0.710 -4.794 1.00 0.00 N ATOM 946 CA CYS A 59 -6.360 -1.336 -5.868 1.00 0.00 C ATOM 947 C CYS A 59 -5.282 -2.228 -5.248 1.00 0.00 C ATOM 948 O CYS A 59 -4.897 -3.239 -5.832 1.00 0.00 O ATOM 949 CB CYS A 59 -5.762 -0.300 -6.823 1.00 0.00 C ATOM 950 SG CYS A 59 -4.722 0.974 -6.018 1.00 0.00 S ATOM 0 H CYS A 59 -6.755 0.201 -4.502 1.00 0.00 H new ATOM 0 HA CYS A 59 -7.032 -1.945 -6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.163 -0.819 -7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.574 0.196 -7.354 1.00 0.00 H new ATOM 955 N ASN A 60 -4.827 -1.819 -4.073 1.00 0.00 N ATOM 956 CA ASN A 60 -3.759 -2.534 -3.395 1.00 0.00 C ATOM 957 C ASN A 60 -4.366 -3.525 -2.401 1.00 0.00 C ATOM 958 O ASN A 60 -5.437 -4.080 -2.646 1.00 0.00 O ATOM 959 CB ASN A 60 -2.863 -1.573 -2.613 1.00 0.00 C ATOM 960 CG ASN A 60 -3.620 -0.945 -1.441 1.00 0.00 C ATOM 961 OD1 ASN A 60 -4.810 -1.142 -1.261 1.00 0.00 O ATOM 962 ND2 ASN A 60 -2.865 -0.183 -0.656 1.00 0.00 N ATOM 963 OXT ASN A 60 -3.799 -3.767 -1.371 1.00 0.00 O ATOM 0 H ASN A 60 -5.178 -1.002 -3.573 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.165 -3.048 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.989 -2.107 -2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.499 -0.789 -3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.277 0.279 0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.874 -0.060 -0.864 1.00 0.00 H new