USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 1.85 K(o=1.9,f=-8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.272 K(o=-0.27,f=-3.4!) 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= -0.215 (180deg=-1.26) USER MOD Single : A 26 MET CE :methyl -163:sc= 0 (180deg=-0.155) USER MOD Single : A 27 MET CE :methyl -165:sc= -0.0288 (180deg=-0.324) 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= 0.717 K(o=0.72,f=-3.4!) USER MOD Single : A 46 SER OG : rot -43:sc= 1.34 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= -0.0198 K(o=-0.02,f=-3.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 60 ASN : amide:sc= -3.44! C(o=-3.4!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -10.123 5.489 -0.786 1.00 0.00 N ATOM 41 CA LYS A 2 -10.099 4.293 0.039 1.00 0.00 C ATOM 42 C LYS A 2 -8.980 3.368 -0.445 1.00 0.00 C ATOM 43 O LYS A 2 -8.833 3.145 -1.646 1.00 0.00 O ATOM 44 CB LYS A 2 -11.450 3.577 0.002 1.00 0.00 C ATOM 45 CG LYS A 2 -11.995 3.337 -1.399 1.00 0.00 C ATOM 46 CD LYS A 2 -13.356 2.657 -1.355 1.00 0.00 C ATOM 47 CE LYS A 2 -13.898 2.409 -2.755 1.00 0.00 C ATOM 48 NZ LYS A 2 -15.264 1.819 -2.726 1.00 0.00 N ATOM 0 HA LYS A 2 -9.907 4.577 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.353 2.618 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.175 4.165 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.078 4.287 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.296 2.719 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.274 1.710 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.057 3.278 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.920 3.349 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.225 1.740 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.597 1.666 -3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.239 0.910 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.912 2.469 -2.237 1.00 0.00 H new ATOM 61 N CYS A 3 -8.226 2.852 0.512 1.00 0.00 N ATOM 62 CA CYS A 3 -7.208 1.860 0.210 1.00 0.00 C ATOM 63 C CYS A 3 -7.457 0.634 1.093 1.00 0.00 C ATOM 64 O CYS A 3 -8.233 0.696 2.043 1.00 0.00 O ATOM 65 CB CYS A 3 -5.797 2.420 0.397 1.00 0.00 C ATOM 66 SG CYS A 3 -5.414 3.890 -0.624 1.00 0.00 S ATOM 0 H CYS A 3 -8.299 3.102 1.498 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.277 1.573 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.660 2.678 1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.076 1.636 0.165 1.00 0.00 H new ATOM 71 N ASN A 4 -6.781 -0.453 0.744 1.00 0.00 N ATOM 72 CA ASN A 4 -7.070 -1.739 1.354 1.00 0.00 C ATOM 73 C ASN A 4 -6.096 -1.983 2.507 1.00 0.00 C ATOM 74 O ASN A 4 -4.928 -1.604 2.430 1.00 0.00 O ATOM 75 CB ASN A 4 -7.004 -2.870 0.343 1.00 0.00 C ATOM 76 CG ASN A 4 -8.150 -2.878 -0.630 1.00 0.00 C ATOM 77 OD1 ASN A 4 -9.264 -2.444 -0.314 1.00 0.00 O ATOM 78 ND2 ASN A 4 -7.906 -3.444 -1.785 1.00 0.00 N ATOM 0 H ASN A 4 -6.036 -0.468 0.048 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.090 -1.717 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.069 -2.796 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.984 -3.821 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.653 -3.543 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.969 -3.786 -1.998 1.00 0.00 H new ATOM 85 N LYS A 5 -6.612 -2.611 3.554 1.00 0.00 N ATOM 86 CA LYS A 5 -5.771 -3.049 4.654 1.00 0.00 C ATOM 87 C LYS A 5 -5.075 -4.356 4.271 1.00 0.00 C ATOM 88 O LYS A 5 -5.279 -4.874 3.174 1.00 0.00 O ATOM 89 CB LYS A 5 -6.592 -3.228 5.932 1.00 0.00 C ATOM 90 CG LYS A 5 -7.215 -1.944 6.464 1.00 0.00 C ATOM 91 CD LYS A 5 -8.215 -2.232 7.573 1.00 0.00 C ATOM 92 CE LYS A 5 -7.555 -2.951 8.741 1.00 0.00 C ATOM 93 NZ LYS A 5 -8.515 -3.216 9.846 1.00 0.00 N ATOM 0 H LYS A 5 -7.603 -2.827 3.663 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.018 -2.286 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.385 -3.951 5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.951 -3.654 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.432 -1.286 6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.713 -1.415 5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.655 -1.297 7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.030 -2.841 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.132 -3.894 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.727 -2.349 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.025 -3.707 10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.900 -2.315 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.292 -3.812 9.495 1.00 0.00 H new ATOM 106 N LEU A 6 -4.267 -4.853 5.197 1.00 0.00 N ATOM 107 CA LEU A 6 -3.716 -6.192 5.068 1.00 0.00 C ATOM 108 C LEU A 6 -4.855 -7.188 4.847 1.00 0.00 C ATOM 109 O LEU A 6 -4.724 -8.121 4.054 1.00 0.00 O ATOM 110 CB LEU A 6 -2.898 -6.561 6.312 1.00 0.00 C ATOM 111 CG LEU A 6 -2.248 -7.949 6.279 1.00 0.00 C ATOM 112 CD1 LEU A 6 -1.316 -8.061 5.080 1.00 0.00 C ATOM 113 CD2 LEU A 6 -1.490 -8.188 7.576 1.00 0.00 C ATOM 0 H LEU A 6 -3.981 -4.353 6.039 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.045 -6.225 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.115 -5.814 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.548 -6.503 7.185 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.022 -8.710 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.859 -9.051 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.884 -7.910 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.537 -7.303 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.028 -9.175 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.717 -7.429 7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.181 -8.132 8.417 1.00 0.00 H new ATOM 125 N VAL A 7 -5.950 -6.957 5.558 1.00 0.00 N ATOM 126 CA VAL A 7 -7.177 -7.690 5.301 1.00 0.00 C ATOM 127 C VAL A 7 -7.846 -7.130 4.044 1.00 0.00 C ATOM 128 O VAL A 7 -8.187 -5.950 3.989 1.00 0.00 O ATOM 129 CB VAL A 7 -8.153 -7.609 6.490 1.00 0.00 C ATOM 130 CG1 VAL A 7 -9.449 -8.338 6.166 1.00 0.00 C ATOM 131 CG2 VAL A 7 -7.516 -8.190 7.744 1.00 0.00 C ATOM 0 H VAL A 7 -6.012 -6.272 6.312 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.920 -8.739 5.156 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.383 -6.560 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.127 -8.271 7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.915 -7.881 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.234 -9.386 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.220 -8.124 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.257 -9.234 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.614 -7.628 7.988 1.00 0.00 H new ATOM 141 N PRO A 8 -8.019 -8.028 3.037 1.00 0.00 N ATOM 142 CA PRO A 8 -8.367 -7.592 1.696 1.00 0.00 C ATOM 143 C PRO A 8 -9.864 -7.297 1.586 1.00 0.00 C ATOM 144 O PRO A 8 -10.337 -6.846 0.544 1.00 0.00 O ATOM 145 CB PRO A 8 -7.938 -8.760 0.803 1.00 0.00 C ATOM 146 CG PRO A 8 -7.990 -9.950 1.698 1.00 0.00 C ATOM 147 CD PRO A 8 -7.569 -9.450 3.053 1.00 0.00 C ATOM 0 HA PRO A 8 -7.876 -6.662 1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.607 -8.875 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.936 -8.607 0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.994 -10.374 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.323 -10.737 1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.042 -10.014 3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.492 -9.531 3.197 1.00 0.00 H new ATOM 155 N ILE A 9 -10.569 -7.562 2.676 1.00 0.00 N ATOM 156 CA ILE A 9 -12.001 -7.324 2.720 1.00 0.00 C ATOM 157 C ILE A 9 -12.295 -6.178 3.691 1.00 0.00 C ATOM 158 O ILE A 9 -13.415 -6.050 4.182 1.00 0.00 O ATOM 159 CB ILE A 9 -12.778 -8.582 3.148 1.00 0.00 C ATOM 160 CG1 ILE A 9 -12.340 -9.032 4.543 1.00 0.00 C ATOM 161 CG2 ILE A 9 -12.577 -9.700 2.137 1.00 0.00 C ATOM 162 CD1 ILE A 9 -13.246 -10.072 5.163 1.00 0.00 C ATOM 0 H ILE A 9 -10.174 -7.940 3.537 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.330 -7.059 1.715 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.840 -8.338 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.329 -9.434 4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.299 -8.162 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.133 -10.582 2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.937 -9.376 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.517 -9.944 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.870 -10.340 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.254 -9.668 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.268 -10.959 4.530 1.00 0.00 H new ATOM 174 N ALA A 10 -11.269 -5.378 3.938 1.00 0.00 N ATOM 175 CA ALA A 10 -11.419 -4.214 4.794 1.00 0.00 C ATOM 176 C ALA A 10 -10.539 -3.080 4.263 1.00 0.00 C ATOM 177 O ALA A 10 -9.367 -3.288 3.959 1.00 0.00 O ATOM 178 CB ALA A 10 -11.074 -4.592 6.237 1.00 0.00 C ATOM 0 H ALA A 10 -10.331 -5.513 3.561 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.451 -3.863 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.187 -3.718 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.745 -5.381 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.044 -4.946 6.284 1.00 0.00 H new ATOM 184 N TYR A 11 -11.141 -1.903 4.166 1.00 0.00 N ATOM 185 CA TYR A 11 -10.433 -0.740 3.659 1.00 0.00 C ATOM 186 C TYR A 11 -10.362 0.363 4.718 1.00 0.00 C ATOM 187 O TYR A 11 -11.157 0.379 5.656 1.00 0.00 O ATOM 188 CB TYR A 11 -11.110 -0.214 2.391 1.00 0.00 C ATOM 189 CG TYR A 11 -12.531 0.259 2.606 1.00 0.00 C ATOM 190 CD1 TYR A 11 -12.801 1.581 2.926 1.00 0.00 C ATOM 191 CD2 TYR A 11 -13.599 -0.619 2.487 1.00 0.00 C ATOM 192 CE1 TYR A 11 -14.096 2.019 3.124 1.00 0.00 C ATOM 193 CE2 TYR A 11 -14.898 -0.193 2.682 1.00 0.00 C ATOM 194 CZ TYR A 11 -15.143 1.128 3.000 1.00 0.00 C ATOM 195 OH TYR A 11 -16.435 1.557 3.195 1.00 0.00 O ATOM 0 H TYR A 11 -12.111 -1.730 4.430 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.415 -1.044 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.520 0.610 1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.110 -1.001 1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.984 2.281 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.411 -1.653 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.288 3.052 3.374 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -15.718 -0.889 2.586 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.052 0.806 3.069 1.00 0.00 H new ATOM 205 N LYS A 12 -9.401 1.257 4.532 1.00 0.00 N ATOM 206 CA LYS A 12 -9.323 2.453 5.353 1.00 0.00 C ATOM 207 C LYS A 12 -9.542 3.686 4.473 1.00 0.00 C ATOM 208 O LYS A 12 -9.205 3.676 3.290 1.00 0.00 O ATOM 209 CB LYS A 12 -7.975 2.532 6.071 1.00 0.00 C ATOM 210 CG LYS A 12 -7.777 1.481 7.155 1.00 0.00 C ATOM 211 CD LYS A 12 -6.447 1.667 7.871 1.00 0.00 C ATOM 212 CE LYS A 12 -6.330 0.740 9.072 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.066 0.964 9.825 1.00 0.00 N ATOM 0 H LYS A 12 -8.670 1.177 3.825 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.101 2.414 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.178 2.431 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.872 3.521 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.592 1.542 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.817 0.486 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.628 1.473 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.349 2.702 8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.180 0.897 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.374 -0.296 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.025 0.313 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.254 0.790 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.035 1.946 10.167 1.00 0.00 H new ATOM 226 N THR A 13 -10.107 4.716 5.085 1.00 0.00 N ATOM 227 CA THR A 13 -10.239 6.001 4.418 1.00 0.00 C ATOM 228 C THR A 13 -8.902 6.743 4.419 1.00 0.00 C ATOM 229 O THR A 13 -8.232 6.820 5.447 1.00 0.00 O ATOM 230 CB THR A 13 -11.312 6.880 5.088 1.00 0.00 C ATOM 231 OG1 THR A 13 -12.569 6.191 5.084 1.00 0.00 O ATOM 232 CG2 THR A 13 -11.459 8.201 4.349 1.00 0.00 C ATOM 0 H THR A 13 -10.478 4.688 6.035 1.00 0.00 H new ATOM 0 HA THR A 13 -10.547 5.804 3.391 1.00 0.00 H new ATOM 0 HB THR A 13 -11.004 7.083 6.114 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.250 6.751 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.221 8.808 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.508 8.733 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.753 8.010 3.317 1.00 0.00 H new ATOM 240 N CYS A 14 -8.553 7.268 3.254 1.00 0.00 N ATOM 241 CA CYS A 14 -7.257 7.903 3.078 1.00 0.00 C ATOM 242 C CYS A 14 -7.259 9.222 3.853 1.00 0.00 C ATOM 243 O CYS A 14 -8.301 9.854 4.008 1.00 0.00 O ATOM 244 CB CYS A 14 -6.925 8.110 1.599 1.00 0.00 C ATOM 245 SG CYS A 14 -6.636 6.570 0.654 1.00 0.00 S ATOM 0 H CYS A 14 -9.144 7.267 2.423 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.475 7.254 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.742 8.659 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.037 8.737 1.525 1.00 0.00 H new ATOM 250 N PRO A 15 -6.044 9.609 4.332 1.00 0.00 N ATOM 251 CA PRO A 15 -5.864 10.909 4.949 1.00 0.00 C ATOM 252 C PRO A 15 -5.893 12.024 3.901 1.00 0.00 C ATOM 253 O PRO A 15 -5.606 11.783 2.728 1.00 0.00 O ATOM 254 CB PRO A 15 -4.504 10.803 5.646 1.00 0.00 C ATOM 255 CG PRO A 15 -3.715 9.877 4.786 1.00 0.00 C ATOM 256 CD PRO A 15 -4.709 8.871 4.269 1.00 0.00 C ATOM 0 HA PRO A 15 -6.660 11.162 5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.022 11.777 5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.606 10.414 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.236 10.413 3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.923 9.391 5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.471 8.561 3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.721 7.970 4.882 1.00 0.00 H new ATOM 264 N GLU A 16 -6.243 13.215 4.359 1.00 0.00 N ATOM 265 CA GLU A 16 -6.301 14.369 3.476 1.00 0.00 C ATOM 266 C GLU A 16 -4.942 14.601 2.817 1.00 0.00 C ATOM 267 O GLU A 16 -3.912 14.593 3.489 1.00 0.00 O ATOM 268 CB GLU A 16 -6.743 15.614 4.248 1.00 0.00 C ATOM 269 CG GLU A 16 -6.881 16.867 3.394 1.00 0.00 C ATOM 270 CD GLU A 16 -7.365 18.034 4.209 1.00 0.00 C ATOM 271 OE1 GLU A 16 -7.604 17.857 5.380 1.00 0.00 O ATOM 272 OE2 GLU A 16 -7.390 19.125 3.692 1.00 0.00 O ATOM 0 H GLU A 16 -6.490 13.408 5.330 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.036 14.172 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.700 15.409 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.023 15.808 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.919 17.110 2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.577 16.678 2.577 1.00 0.00 H new ATOM 280 N GLY A 17 -4.983 14.805 1.508 1.00 0.00 N ATOM 281 CA GLY A 17 -3.777 15.119 0.761 1.00 0.00 C ATOM 282 C GLY A 17 -3.187 13.864 0.116 1.00 0.00 C ATOM 283 O GLY A 17 -2.408 13.956 -0.832 1.00 0.00 O ATOM 0 H GLY A 17 -5.833 14.759 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.004 15.855 -0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.041 15.570 1.426 1.00 0.00 H new ATOM 287 N LYS A 18 -3.579 12.719 0.655 1.00 0.00 N ATOM 288 CA LYS A 18 -3.134 11.444 0.116 1.00 0.00 C ATOM 289 C LYS A 18 -4.137 10.964 -0.936 1.00 0.00 C ATOM 290 O LYS A 18 -5.327 11.257 -0.844 1.00 0.00 O ATOM 291 CB LYS A 18 -2.976 10.407 1.228 1.00 0.00 C ATOM 292 CG LYS A 18 -1.722 10.578 2.075 1.00 0.00 C ATOM 293 CD LYS A 18 -1.633 11.982 2.653 1.00 0.00 C ATOM 294 CE LYS A 18 -0.368 12.161 3.480 1.00 0.00 C ATOM 295 NZ LYS A 18 -0.273 13.528 4.063 1.00 0.00 N ATOM 0 H LYS A 18 -4.201 12.647 1.460 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.158 11.575 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.849 10.455 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.965 9.413 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.725 9.849 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.840 10.376 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.647 12.712 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.507 12.178 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.351 11.423 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.504 11.972 2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.602 13.608 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.263 14.232 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.092 13.700 4.681 1.00 0.00 H new ATOM 308 N ASN A 19 -3.615 10.234 -1.911 1.00 0.00 N ATOM 309 CA ASN A 19 -4.401 9.879 -3.082 1.00 0.00 C ATOM 310 C ASN A 19 -4.155 8.410 -3.431 1.00 0.00 C ATOM 311 O ASN A 19 -5.099 7.657 -3.662 1.00 0.00 O ATOM 312 CB ASN A 19 -4.087 10.777 -4.265 1.00 0.00 C ATOM 313 CG ASN A 19 -4.891 10.459 -5.495 1.00 0.00 C ATOM 314 OD1 ASN A 19 -4.710 9.411 -6.127 1.00 0.00 O ATOM 315 ND2 ASN A 19 -5.721 11.394 -5.884 1.00 0.00 N ATOM 0 H ASN A 19 -2.659 9.879 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.456 10.024 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.268 11.814 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.027 10.692 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.255 11.276 -6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.834 12.240 -5.326 1.00 0.00 H new ATOM 322 N LEU A 20 -2.881 8.047 -3.458 1.00 0.00 N ATOM 323 CA LEU A 20 -2.477 6.775 -4.032 1.00 0.00 C ATOM 324 C LEU A 20 -2.594 5.682 -2.967 1.00 0.00 C ATOM 325 O LEU A 20 -2.558 5.968 -1.770 1.00 0.00 O ATOM 326 CB LEU A 20 -1.047 6.860 -4.579 1.00 0.00 C ATOM 327 CG LEU A 20 -0.784 8.022 -5.543 1.00 0.00 C ATOM 328 CD1 LEU A 20 0.677 8.024 -5.974 1.00 0.00 C ATOM 329 CD2 LEU A 20 -1.702 7.900 -6.751 1.00 0.00 C ATOM 0 H LEU A 20 -2.115 8.612 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.134 6.529 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.358 6.944 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.815 5.926 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.992 8.966 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.853 8.854 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.315 8.136 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.910 7.084 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.514 8.727 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.509 6.956 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.741 7.930 -6.423 1.00 0.00 H new ATOM 341 N CYS A 21 -2.732 4.452 -3.441 1.00 0.00 N ATOM 342 CA CYS A 21 -2.743 3.305 -2.551 1.00 0.00 C ATOM 343 C CYS A 21 -1.431 2.539 -2.735 1.00 0.00 C ATOM 344 O CYS A 21 -1.025 2.259 -3.861 1.00 0.00 O ATOM 345 CB CYS A 21 -3.961 2.412 -2.791 1.00 0.00 C ATOM 346 SG CYS A 21 -5.576 3.230 -2.521 1.00 0.00 S ATOM 0 H CYS A 21 -2.837 4.226 -4.430 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.822 3.646 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.925 2.039 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.894 1.545 -2.134 1.00 0.00 H new ATOM 351 N TYR A 22 -0.803 2.223 -1.612 1.00 0.00 N ATOM 352 CA TYR A 22 0.499 1.579 -1.637 1.00 0.00 C ATOM 353 C TYR A 22 0.460 0.233 -0.911 1.00 0.00 C ATOM 354 O TYR A 22 -0.320 0.049 0.021 1.00 0.00 O ATOM 355 CB TYR A 22 1.555 2.492 -1.008 1.00 0.00 C ATOM 356 CG TYR A 22 1.538 2.498 0.504 1.00 0.00 C ATOM 357 CD1 TYR A 22 2.270 1.570 1.229 1.00 0.00 C ATOM 358 CD2 TYR A 22 0.791 3.435 1.202 1.00 0.00 C ATOM 359 CE1 TYR A 22 2.258 1.571 2.609 1.00 0.00 C ATOM 360 CE2 TYR A 22 0.771 3.446 2.584 1.00 0.00 C ATOM 361 CZ TYR A 22 1.507 2.512 3.284 1.00 0.00 C ATOM 362 OH TYR A 22 1.492 2.519 4.660 1.00 0.00 O ATOM 0 H TYR A 22 -1.172 2.401 -0.678 1.00 0.00 H new ATOM 0 HA TYR A 22 0.766 1.395 -2.678 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.542 2.179 -1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.402 3.510 -1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.860 0.833 0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.215 4.168 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.833 0.840 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.183 4.181 3.113 1.00 0.00 H new ATOM 0 HH TYR A 22 0.915 3.245 4.977 1.00 0.00 H new ATOM 372 N LYS A 23 1.317 -0.671 -1.364 1.00 0.00 N ATOM 373 CA LYS A 23 1.515 -1.929 -0.663 1.00 0.00 C ATOM 374 C LYS A 23 3.016 -2.203 -0.534 1.00 0.00 C ATOM 375 O LYS A 23 3.782 -1.924 -1.455 1.00 0.00 O ATOM 376 CB LYS A 23 0.816 -3.077 -1.392 1.00 0.00 C ATOM 377 CG LYS A 23 1.268 -3.275 -2.833 1.00 0.00 C ATOM 378 CD LYS A 23 0.633 -4.514 -3.447 1.00 0.00 C ATOM 379 CE LYS A 23 -0.879 -4.506 -3.274 1.00 0.00 C ATOM 380 NZ LYS A 23 -1.524 -5.656 -3.963 1.00 0.00 N ATOM 0 H LYS A 23 1.881 -0.558 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 23 1.075 -1.856 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.989 -4.001 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.259 -2.896 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.003 -2.398 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.354 -3.366 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.879 -4.563 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.049 -5.407 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.123 -4.536 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.284 -3.574 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.553 -5.613 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.313 -5.614 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.157 -6.546 -3.570 1.00 0.00 H new ATOM 393 N MET A 24 3.390 -2.744 0.616 1.00 0.00 N ATOM 394 CA MET A 24 4.791 -2.993 0.905 1.00 0.00 C ATOM 395 C MET A 24 5.084 -4.495 0.947 1.00 0.00 C ATOM 396 O MET A 24 4.303 -5.268 1.502 1.00 0.00 O ATOM 397 CB MET A 24 5.177 -2.335 2.229 1.00 0.00 C ATOM 398 CG MET A 24 5.013 -0.822 2.252 1.00 0.00 C ATOM 399 SD MET A 24 5.784 -0.061 3.693 1.00 0.00 S ATOM 400 CE MET A 24 4.717 -0.654 5.001 1.00 0.00 C ATOM 0 H MET A 24 2.746 -3.017 1.359 1.00 0.00 H new ATOM 0 HA MET A 24 5.390 -2.557 0.106 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.570 -2.766 3.025 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.216 -2.579 2.452 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.448 -0.400 1.346 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.951 -0.575 2.240 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.786 0.015 5.859 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.687 -0.683 4.645 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.027 -1.656 5.297 1.00 0.00 H new ATOM 410 N PHE A 25 6.210 -4.862 0.354 1.00 0.00 N ATOM 411 CA PHE A 25 6.672 -6.240 0.414 1.00 0.00 C ATOM 412 C PHE A 25 7.969 -6.346 1.217 1.00 0.00 C ATOM 413 O PHE A 25 8.596 -5.335 1.532 1.00 0.00 O ATOM 414 CB PHE A 25 6.939 -6.683 -1.026 1.00 0.00 C ATOM 415 CG PHE A 25 5.702 -6.655 -1.925 1.00 0.00 C ATOM 416 CD1 PHE A 25 5.014 -7.802 -2.173 1.00 0.00 C ATOM 417 CD2 PHE A 25 5.290 -5.482 -2.479 1.00 0.00 C ATOM 418 CE1 PHE A 25 3.866 -7.775 -3.008 1.00 0.00 C ATOM 419 CE2 PHE A 25 4.143 -5.456 -3.315 1.00 0.00 C ATOM 420 CZ PHE A 25 3.455 -6.602 -3.562 1.00 0.00 C ATOM 0 H PHE A 25 6.816 -4.231 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 25 5.923 -6.865 0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.704 -6.038 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.345 -7.695 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.341 -8.733 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.836 -4.571 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.319 -8.685 -3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.817 -4.525 -3.755 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.582 -6.582 -4.198 1.00 0.00 H new ATOM 430 N MET A 26 8.335 -7.583 1.527 1.00 0.00 N ATOM 431 CA MET A 26 9.682 -7.870 1.990 1.00 0.00 C ATOM 432 C MET A 26 10.407 -8.803 1.018 1.00 0.00 C ATOM 433 O MET A 26 9.799 -9.710 0.451 1.00 0.00 O ATOM 434 CB MET A 26 9.637 -8.484 3.387 1.00 0.00 C ATOM 435 CG MET A 26 9.055 -7.571 4.458 1.00 0.00 C ATOM 436 SD MET A 26 8.996 -8.354 6.083 1.00 0.00 S ATOM 437 CE MET A 26 8.271 -7.043 7.063 1.00 0.00 C ATOM 0 H MET A 26 7.722 -8.396 1.466 1.00 0.00 H new ATOM 0 HA MET A 26 10.237 -6.933 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.048 -9.400 3.349 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.648 -8.767 3.679 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.653 -6.662 4.519 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.048 -7.272 4.167 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.442 -7.243 8.121 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.730 -6.092 6.794 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.199 -6.996 6.871 1.00 0.00 H new ATOM 447 N MET A 27 11.696 -8.547 0.854 1.00 0.00 N ATOM 448 CA MET A 27 12.482 -9.267 -0.135 1.00 0.00 C ATOM 449 C MET A 27 12.222 -10.772 -0.053 1.00 0.00 C ATOM 450 O MET A 27 12.322 -11.478 -1.056 1.00 0.00 O ATOM 451 CB MET A 27 13.967 -8.971 0.057 1.00 0.00 C ATOM 452 CG MET A 27 14.403 -7.593 -0.426 1.00 0.00 C ATOM 453 SD MET A 27 14.121 -7.354 -2.192 1.00 0.00 S ATOM 454 CE MET A 27 15.311 -8.500 -2.881 1.00 0.00 C ATOM 0 H MET A 27 12.216 -7.851 1.389 1.00 0.00 H new ATOM 0 HA MET A 27 12.180 -8.927 -1.126 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.210 -9.065 1.116 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.547 -9.728 -0.471 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.861 -6.829 0.131 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.462 -7.455 -0.209 1.00 0.00 H new ATOM 0 HE1 MET A 27 15.452 -8.285 -3.940 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.262 -8.394 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 27 14.944 -9.520 -2.764 1.00 0.00 H new ATOM 464 N SER A 28 11.895 -11.220 1.150 1.00 0.00 N ATOM 465 CA SER A 28 11.435 -12.584 1.340 1.00 0.00 C ATOM 466 C SER A 28 10.154 -12.820 0.542 1.00 0.00 C ATOM 467 O SER A 28 10.181 -13.462 -0.507 1.00 0.00 O ATOM 468 CB SER A 28 11.213 -12.863 2.814 1.00 0.00 C ATOM 469 OG SER A 28 10.759 -14.168 3.040 1.00 0.00 O ATOM 0 H SER A 28 11.940 -10.662 2.003 1.00 0.00 H new ATOM 0 HA SER A 28 12.199 -13.271 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.145 -12.705 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.488 -12.153 3.212 1.00 0.00 H new ATOM 0 HG SER A 28 10.630 -14.308 4.001 1.00 0.00 H new ATOM 475 N ASP A 29 9.058 -12.291 1.069 1.00 0.00 N ATOM 476 CA ASP A 29 7.753 -12.530 0.481 1.00 0.00 C ATOM 477 C ASP A 29 7.449 -11.429 -0.539 1.00 0.00 C ATOM 478 O ASP A 29 6.798 -10.438 -0.212 1.00 0.00 O ATOM 479 CB ASP A 29 6.670 -12.584 1.560 1.00 0.00 C ATOM 480 CG ASP A 29 5.291 -12.980 1.049 1.00 0.00 C ATOM 481 OD1 ASP A 29 5.169 -13.253 -0.122 1.00 0.00 O ATOM 482 OD2 ASP A 29 4.410 -13.161 1.855 1.00 0.00 O ATOM 0 H ASP A 29 9.049 -11.697 1.898 1.00 0.00 H new ATOM 0 HA ASP A 29 7.761 -13.495 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.976 -13.293 2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.600 -11.606 2.037 1.00 0.00 H new ATOM 488 N LEU A 30 7.939 -11.639 -1.753 1.00 0.00 N ATOM 489 CA LEU A 30 7.638 -10.732 -2.849 1.00 0.00 C ATOM 490 C LEU A 30 6.234 -11.029 -3.378 1.00 0.00 C ATOM 491 O LEU A 30 5.624 -10.186 -4.036 1.00 0.00 O ATOM 492 CB LEU A 30 8.685 -10.865 -3.961 1.00 0.00 C ATOM 493 CG LEU A 30 9.901 -9.939 -3.827 1.00 0.00 C ATOM 494 CD1 LEU A 30 9.862 -9.217 -2.487 1.00 0.00 C ATOM 495 CD2 LEU A 30 11.179 -10.754 -3.963 1.00 0.00 C ATOM 0 H LEU A 30 8.542 -12.423 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 30 7.670 -9.704 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.035 -11.897 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.202 -10.668 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 30 9.877 -9.190 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.729 -8.562 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.951 -8.623 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.878 -9.948 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.042 -10.095 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.212 -11.512 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.199 -11.239 -4.939 1.00 0.00 H new ATOM 507 N THR A 31 5.761 -12.227 -3.071 1.00 0.00 N ATOM 508 CA THR A 31 4.514 -12.710 -3.644 1.00 0.00 C ATOM 509 C THR A 31 3.325 -11.966 -3.032 1.00 0.00 C ATOM 510 O THR A 31 2.417 -11.546 -3.750 1.00 0.00 O ATOM 511 CB THR A 31 4.339 -14.224 -3.427 1.00 0.00 C ATOM 512 OG1 THR A 31 5.420 -14.927 -4.053 1.00 0.00 O ATOM 513 CG2 THR A 31 3.020 -14.698 -4.018 1.00 0.00 C ATOM 0 H THR A 31 6.218 -12.879 -2.433 1.00 0.00 H new ATOM 0 HA THR A 31 4.552 -12.520 -4.717 1.00 0.00 H new ATOM 0 HB THR A 31 4.338 -14.425 -2.356 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.308 -15.890 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.913 -15.770 -3.855 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.196 -14.174 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.005 -14.490 -5.088 1.00 0.00 H new ATOM 521 N ILE A 32 3.367 -11.829 -1.715 1.00 0.00 N ATOM 522 CA ILE A 32 2.253 -11.245 -0.989 1.00 0.00 C ATOM 523 C ILE A 32 2.758 -10.074 -0.143 1.00 0.00 C ATOM 524 O ILE A 32 3.688 -10.232 0.648 1.00 0.00 O ATOM 525 CB ILE A 32 1.552 -12.277 -0.087 1.00 0.00 C ATOM 526 CG1 ILE A 32 0.906 -13.376 -0.936 1.00 0.00 C ATOM 527 CG2 ILE A 32 0.513 -11.598 0.791 1.00 0.00 C ATOM 528 CD1 ILE A 32 -0.192 -12.878 -1.847 1.00 0.00 C ATOM 0 H ILE A 32 4.155 -12.112 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 32 1.521 -10.895 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 32 2.299 -12.736 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.676 -13.856 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.498 -14.140 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.027 -12.342 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.999 -10.851 1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.234 -11.113 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.600 -13.714 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.983 -12.425 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.214 -12.136 -2.534 1.00 0.00 H new ATOM 540 N PRO A 33 2.106 -8.898 -0.342 1.00 0.00 N ATOM 541 CA PRO A 33 2.457 -7.710 0.417 1.00 0.00 C ATOM 542 C PRO A 33 2.023 -7.844 1.878 1.00 0.00 C ATOM 543 O PRO A 33 1.124 -8.622 2.192 1.00 0.00 O ATOM 544 CB PRO A 33 1.723 -6.576 -0.305 1.00 0.00 C ATOM 545 CG PRO A 33 0.539 -7.237 -0.925 1.00 0.00 C ATOM 546 CD PRO A 33 1.012 -8.609 -1.324 1.00 0.00 C ATOM 0 HA PRO A 33 3.532 -7.534 0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.422 -5.792 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.357 -6.108 -1.058 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.291 -7.297 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.184 -6.677 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.210 -9.345 -1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.379 -8.625 -2.350 1.00 0.00 H new ATOM 554 N VAL A 34 2.681 -7.072 2.732 1.00 0.00 N ATOM 555 CA VAL A 34 2.610 -7.310 4.163 1.00 0.00 C ATOM 556 C VAL A 34 1.894 -6.138 4.835 1.00 0.00 C ATOM 557 O VAL A 34 1.361 -6.280 5.936 1.00 0.00 O ATOM 558 CB VAL A 34 4.008 -7.491 4.784 1.00 0.00 C ATOM 559 CG1 VAL A 34 4.739 -8.651 4.122 1.00 0.00 C ATOM 560 CG2 VAL A 34 4.818 -6.211 4.657 1.00 0.00 C ATOM 0 H VAL A 34 3.265 -6.282 2.459 1.00 0.00 H new ATOM 0 HA VAL A 34 2.055 -8.234 4.325 1.00 0.00 H new ATOM 0 HB VAL A 34 3.887 -7.718 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.725 -8.765 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.168 -9.569 4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.848 -8.451 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.803 -6.358 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.930 -5.954 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.303 -5.402 5.175 1.00 0.00 H new ATOM 570 N LYS A 35 1.905 -5.007 4.149 1.00 0.00 N ATOM 571 CA LYS A 35 1.244 -3.815 4.656 1.00 0.00 C ATOM 572 C LYS A 35 0.666 -3.019 3.484 1.00 0.00 C ATOM 573 O LYS A 35 1.262 -2.972 2.408 1.00 0.00 O ATOM 574 CB LYS A 35 2.198 -3.008 5.538 1.00 0.00 C ATOM 575 CG LYS A 35 2.395 -3.686 6.896 1.00 0.00 C ATOM 576 CD LYS A 35 2.968 -2.705 7.922 1.00 0.00 C ATOM 577 CE LYS A 35 1.878 -1.779 8.463 1.00 0.00 C ATOM 578 NZ LYS A 35 2.394 -0.976 9.594 1.00 0.00 N ATOM 0 H LYS A 35 2.362 -4.889 3.245 1.00 0.00 H new ATOM 0 HA LYS A 35 0.407 -4.088 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.160 -2.902 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.802 -2.003 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.442 -4.076 7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.067 -4.537 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.422 -3.258 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.758 -2.112 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.528 -1.118 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.021 -2.368 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.641 -0.353 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.707 -1.611 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.198 -0.399 9.272 1.00 0.00 H new ATOM 591 N ARG A 36 -0.484 -2.410 3.732 1.00 0.00 N ATOM 592 CA ARG A 36 -1.139 -1.605 2.718 1.00 0.00 C ATOM 593 C ARG A 36 -1.841 -0.408 3.361 1.00 0.00 C ATOM 594 O ARG A 36 -2.357 -0.510 4.474 1.00 0.00 O ATOM 595 CB ARG A 36 -2.088 -2.425 1.856 1.00 0.00 C ATOM 596 CG ARG A 36 -1.426 -3.527 1.046 1.00 0.00 C ATOM 597 CD ARG A 36 -1.526 -4.878 1.652 1.00 0.00 C ATOM 598 NE ARG A 36 -2.882 -5.396 1.748 1.00 0.00 N ATOM 599 CZ ARG A 36 -3.497 -6.114 0.788 1.00 0.00 C ATOM 600 NH1 ARG A 36 -2.898 -6.370 -0.354 1.00 0.00 N ATOM 601 NH2 ARG A 36 -4.729 -6.535 1.015 1.00 0.00 N ATOM 0 H ARG A 36 -0.979 -2.459 4.623 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.370 -1.226 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.846 -2.872 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.607 -1.753 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.877 -3.553 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.373 -3.280 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.926 -5.572 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.090 -4.848 2.651 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.404 -5.202 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.954 -6.024 -0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.378 -6.915 -1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.189 -6.314 1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.220 -7.081 0.307 1.00 0.00 H new ATOM 614 N GLY A 37 -1.839 0.701 2.634 1.00 0.00 N ATOM 615 CA GLY A 37 -2.430 1.928 3.139 1.00 0.00 C ATOM 616 C GLY A 37 -2.466 3.005 2.054 1.00 0.00 C ATOM 617 O GLY A 37 -2.303 2.706 0.871 1.00 0.00 O ATOM 0 H GLY A 37 -1.437 0.774 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.441 1.730 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.857 2.287 3.994 1.00 0.00 H new ATOM 621 N CYS A 38 -2.683 4.236 2.494 1.00 0.00 N ATOM 622 CA CYS A 38 -2.752 5.358 1.574 1.00 0.00 C ATOM 623 C CYS A 38 -1.429 6.122 1.645 1.00 0.00 C ATOM 624 O CYS A 38 -0.734 6.073 2.658 1.00 0.00 O ATOM 625 CB CYS A 38 -3.950 6.262 1.874 1.00 0.00 C ATOM 626 SG CYS A 38 -5.567 5.406 1.917 1.00 0.00 S ATOM 0 H CYS A 38 -2.813 4.481 3.476 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.902 4.990 0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.787 6.750 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.991 7.049 1.121 1.00 0.00 H new ATOM 631 N ILE A 39 -1.119 6.810 0.555 1.00 0.00 N ATOM 632 CA ILE A 39 -0.017 7.756 0.556 1.00 0.00 C ATOM 633 C ILE A 39 -0.191 8.736 -0.606 1.00 0.00 C ATOM 634 O ILE A 39 -0.932 8.462 -1.548 1.00 0.00 O ATOM 635 CB ILE A 39 1.348 7.050 0.442 1.00 0.00 C ATOM 636 CG1 ILE A 39 2.481 8.018 0.791 1.00 0.00 C ATOM 637 CG2 ILE A 39 1.538 6.486 -0.958 1.00 0.00 C ATOM 638 CD1 ILE A 39 3.762 7.332 1.208 1.00 0.00 C ATOM 0 H ILE A 39 -1.612 6.731 -0.334 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.032 8.290 1.506 1.00 0.00 H new ATOM 0 HB ILE A 39 1.372 6.223 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.684 8.652 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.151 8.673 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.507 5.991 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.748 5.766 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.496 7.297 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.518 8.082 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.576 6.720 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.117 6.698 0.395 1.00 0.00 H new ATOM 650 N ASP A 40 0.504 9.859 -0.500 1.00 0.00 N ATOM 651 CA ASP A 40 0.403 10.899 -1.510 1.00 0.00 C ATOM 652 C ASP A 40 1.457 10.653 -2.594 1.00 0.00 C ATOM 653 O ASP A 40 1.142 10.660 -3.783 1.00 0.00 O ATOM 654 CB ASP A 40 0.581 12.285 -0.886 1.00 0.00 C ATOM 655 CG ASP A 40 1.825 12.430 -0.019 1.00 0.00 C ATOM 656 OD1 ASP A 40 2.448 11.434 0.261 1.00 0.00 O ATOM 657 OD2 ASP A 40 2.228 13.542 0.223 1.00 0.00 O ATOM 0 H ASP A 40 1.139 10.072 0.269 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.590 10.866 -1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.621 13.027 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.297 12.513 -0.282 1.00 0.00 H new ATOM 663 N VAL A 41 2.685 10.440 -2.144 1.00 0.00 N ATOM 664 CA VAL A 41 3.793 10.237 -3.061 1.00 0.00 C ATOM 665 C VAL A 41 4.334 8.815 -2.892 1.00 0.00 C ATOM 666 O VAL A 41 4.659 8.399 -1.780 1.00 0.00 O ATOM 667 CB VAL A 41 4.925 11.255 -2.828 1.00 0.00 C ATOM 668 CG1 VAL A 41 6.070 11.010 -3.800 1.00 0.00 C ATOM 669 CG2 VAL A 41 4.401 12.676 -2.971 1.00 0.00 C ATOM 0 H VAL A 41 2.937 10.404 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 41 3.423 10.383 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 41 5.301 11.126 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.861 11.738 -3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.463 10.004 -3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.707 11.112 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.214 13.382 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.000 12.817 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.613 12.849 -2.238 1.00 0.00 H new ATOM 679 N CYS A 42 4.415 8.110 -4.010 1.00 0.00 N ATOM 680 CA CYS A 42 4.837 6.721 -3.990 1.00 0.00 C ATOM 681 C CYS A 42 6.328 6.677 -3.644 1.00 0.00 C ATOM 682 O CYS A 42 7.151 7.242 -4.361 1.00 0.00 O ATOM 683 CB CYS A 42 4.539 6.019 -5.316 1.00 0.00 C ATOM 684 SG CYS A 42 4.973 4.241 -5.358 1.00 0.00 S ATOM 0 H CYS A 42 4.195 8.475 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 42 4.272 6.178 -3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.477 6.125 -5.536 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.082 6.530 -6.111 1.00 0.00 H new ATOM 689 N PRO A 43 6.636 5.981 -2.517 1.00 0.00 N ATOM 690 CA PRO A 43 8.012 5.857 -2.067 1.00 0.00 C ATOM 691 C PRO A 43 8.803 4.915 -2.978 1.00 0.00 C ATOM 692 O PRO A 43 8.275 3.904 -3.438 1.00 0.00 O ATOM 693 CB PRO A 43 7.890 5.318 -0.638 1.00 0.00 C ATOM 694 CG PRO A 43 6.593 4.583 -0.629 1.00 0.00 C ATOM 695 CD PRO A 43 5.695 5.346 -1.567 1.00 0.00 C ATOM 0 HA PRO A 43 8.557 6.800 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.722 4.659 -0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.894 6.126 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.723 3.553 -0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.170 4.544 0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.996 4.684 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.100 6.089 -1.036 1.00 0.00 H new ATOM 703 N LYS A 44 10.055 5.280 -3.210 1.00 0.00 N ATOM 704 CA LYS A 44 10.923 4.480 -4.058 1.00 0.00 C ATOM 705 C LYS A 44 11.261 3.170 -3.345 1.00 0.00 C ATOM 706 O LYS A 44 11.134 3.073 -2.124 1.00 0.00 O ATOM 707 CB LYS A 44 12.197 5.250 -4.411 1.00 0.00 C ATOM 708 CG LYS A 44 11.969 6.476 -5.285 1.00 0.00 C ATOM 709 CD LYS A 44 13.276 7.197 -5.579 1.00 0.00 C ATOM 710 CE LYS A 44 13.058 8.386 -6.505 1.00 0.00 C ATOM 711 NZ LYS A 44 14.328 9.105 -6.795 1.00 0.00 N ATOM 0 H LYS A 44 10.489 6.119 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 44 10.404 4.256 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.686 5.563 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.884 4.576 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.499 6.175 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.280 7.157 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.723 7.538 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.982 6.503 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.615 8.042 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.347 9.075 -6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.136 9.907 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.739 9.456 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.998 8.455 -7.253 1.00 0.00 H new ATOM 724 N ASN A 45 11.684 2.196 -4.135 1.00 0.00 N ATOM 725 CA ASN A 45 11.917 0.858 -3.616 1.00 0.00 C ATOM 726 C ASN A 45 13.200 0.857 -2.782 1.00 0.00 C ATOM 727 O ASN A 45 14.155 1.563 -3.103 1.00 0.00 O ATOM 728 CB ASN A 45 11.990 -0.173 -4.727 1.00 0.00 C ATOM 729 CG ASN A 45 10.684 -0.389 -5.439 1.00 0.00 C ATOM 730 OD1 ASN A 45 9.605 -0.158 -4.883 1.00 0.00 O ATOM 731 ND2 ASN A 45 10.774 -0.908 -6.637 1.00 0.00 N ATOM 0 H ASN A 45 11.872 2.305 -5.132 1.00 0.00 H new ATOM 0 HA ASN A 45 11.074 0.579 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.741 0.140 -5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.327 -1.122 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.928 -1.141 -7.157 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.690 -1.079 -7.051 1.00 0.00 H new ATOM 738 N SER A 46 13.181 0.056 -1.728 1.00 0.00 N ATOM 739 CA SER A 46 14.354 -0.095 -0.881 1.00 0.00 C ATOM 740 C SER A 46 14.938 -1.500 -1.045 1.00 0.00 C ATOM 741 O SER A 46 14.383 -2.329 -1.765 1.00 0.00 O ATOM 742 CB SER A 46 13.996 0.177 0.567 1.00 0.00 C ATOM 743 OG SER A 46 13.148 -0.805 1.093 1.00 0.00 O ATOM 0 H SER A 46 12.373 -0.496 -1.440 1.00 0.00 H new ATOM 0 HA SER A 46 15.109 0.630 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.908 0.225 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.513 1.151 0.644 1.00 0.00 H new ATOM 0 HG SER A 46 12.456 -1.027 0.435 1.00 0.00 H new ATOM 749 N LEU A 47 16.051 -1.726 -0.361 1.00 0.00 N ATOM 750 CA LEU A 47 16.758 -2.990 -0.479 1.00 0.00 C ATOM 751 C LEU A 47 16.015 -4.062 0.321 1.00 0.00 C ATOM 752 O LEU A 47 16.084 -5.245 -0.007 1.00 0.00 O ATOM 753 CB LEU A 47 18.205 -2.844 0.008 1.00 0.00 C ATOM 754 CG LEU A 47 19.076 -1.883 -0.812 1.00 0.00 C ATOM 755 CD1 LEU A 47 20.443 -1.730 -0.157 1.00 0.00 C ATOM 756 CD2 LEU A 47 19.215 -2.408 -2.233 1.00 0.00 C ATOM 0 H LEU A 47 16.480 -1.055 0.276 1.00 0.00 H new ATOM 0 HA LEU A 47 16.791 -3.291 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.190 -2.503 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.674 -3.828 0.003 1.00 0.00 H new ATOM 0 HG LEU A 47 18.602 -0.902 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.054 -1.046 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.321 -1.332 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.933 -2.702 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 47 19.834 -1.725 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.682 -3.393 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.229 -2.483 -2.691 1.00 0.00 H new ATOM 768 N LEU A 48 15.323 -3.608 1.356 1.00 0.00 N ATOM 769 CA LEU A 48 14.717 -4.523 2.309 1.00 0.00 C ATOM 770 C LEU A 48 13.257 -4.763 1.922 1.00 0.00 C ATOM 771 O LEU A 48 12.802 -5.906 1.884 1.00 0.00 O ATOM 772 CB LEU A 48 14.823 -3.965 3.734 1.00 0.00 C ATOM 773 CG LEU A 48 16.253 -3.764 4.252 1.00 0.00 C ATOM 774 CD1 LEU A 48 16.224 -3.133 5.637 1.00 0.00 C ATOM 775 CD2 LEU A 48 16.976 -5.103 4.284 1.00 0.00 C ATOM 0 H LEU A 48 15.169 -2.620 1.555 1.00 0.00 H new ATOM 0 HA LEU A 48 15.250 -5.474 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.302 -3.008 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.300 -4.640 4.411 1.00 0.00 H new ATOM 0 HG LEU A 48 16.790 -3.092 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.244 -2.995 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.723 -2.166 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.684 -3.786 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.992 -4.959 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.444 -5.788 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.010 -5.522 3.278 1.00 0.00 H new ATOM 787 N VAL A 49 12.564 -3.669 1.644 1.00 0.00 N ATOM 788 CA VAL A 49 11.144 -3.740 1.342 1.00 0.00 C ATOM 789 C VAL A 49 10.882 -3.079 -0.014 1.00 0.00 C ATOM 790 O VAL A 49 11.559 -2.122 -0.382 1.00 0.00 O ATOM 791 CB VAL A 49 10.292 -3.057 2.428 1.00 0.00 C ATOM 792 CG1 VAL A 49 10.409 -3.808 3.747 1.00 0.00 C ATOM 793 CG2 VAL A 49 10.713 -1.606 2.604 1.00 0.00 C ATOM 0 H VAL A 49 12.959 -2.729 1.621 1.00 0.00 H new ATOM 0 HA VAL A 49 10.857 -4.791 1.311 1.00 0.00 H new ATOM 0 HB VAL A 49 9.250 -3.077 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.801 -3.312 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.060 -4.832 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.450 -3.819 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.100 -1.140 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.761 -1.565 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.580 -1.072 1.663 1.00 0.00 H new ATOM 803 N LYS A 50 9.897 -3.617 -0.716 1.00 0.00 N ATOM 804 CA LYS A 50 9.528 -3.085 -2.017 1.00 0.00 C ATOM 805 C LYS A 50 8.218 -2.305 -1.890 1.00 0.00 C ATOM 806 O LYS A 50 7.343 -2.677 -1.110 1.00 0.00 O ATOM 807 CB LYS A 50 9.394 -4.206 -3.047 1.00 0.00 C ATOM 808 CG LYS A 50 8.973 -3.740 -4.435 1.00 0.00 C ATOM 809 CD LYS A 50 8.818 -4.914 -5.390 1.00 0.00 C ATOM 810 CE LYS A 50 8.354 -4.452 -6.763 1.00 0.00 C ATOM 811 NZ LYS A 50 8.133 -5.596 -7.689 1.00 0.00 N ATOM 0 H LYS A 50 9.342 -4.416 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 50 10.314 -2.414 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.349 -4.726 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.665 -4.931 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.031 -3.196 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.715 -3.045 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.769 -5.438 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.100 -5.625 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.429 -3.884 -6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.097 -3.778 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.818 -5.239 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.021 -6.124 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.405 -6.226 -7.295 1.00 0.00 H new ATOM 824 N TYR A 51 8.124 -1.236 -2.669 1.00 0.00 N ATOM 825 CA TYR A 51 6.953 -0.377 -2.624 1.00 0.00 C ATOM 826 C TYR A 51 6.215 -0.385 -3.965 1.00 0.00 C ATOM 827 O TYR A 51 6.818 -0.146 -5.011 1.00 0.00 O ATOM 828 CB TYR A 51 7.354 1.050 -2.247 1.00 0.00 C ATOM 829 CG TYR A 51 7.954 1.174 -0.864 1.00 0.00 C ATOM 830 CD1 TYR A 51 9.324 1.074 -0.670 1.00 0.00 C ATOM 831 CD2 TYR A 51 7.149 1.392 0.243 1.00 0.00 C ATOM 832 CE1 TYR A 51 9.877 1.185 0.591 1.00 0.00 C ATOM 833 CE2 TYR A 51 7.691 1.506 1.509 1.00 0.00 C ATOM 834 CZ TYR A 51 9.056 1.402 1.678 1.00 0.00 C ATOM 835 OH TYR A 51 9.601 1.516 2.937 1.00 0.00 O ATOM 0 H TYR A 51 8.840 -0.946 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 51 6.277 -0.765 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.073 1.420 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.476 1.692 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.969 0.906 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.080 1.474 0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.945 1.102 0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.050 1.676 2.361 1.00 0.00 H new ATOM 0 HH TYR A 51 8.886 1.668 3.590 1.00 0.00 H new ATOM 845 N VAL A 52 4.921 -0.662 -3.891 1.00 0.00 N ATOM 846 CA VAL A 52 4.069 -0.565 -5.063 1.00 0.00 C ATOM 847 C VAL A 52 2.893 0.367 -4.758 1.00 0.00 C ATOM 848 O VAL A 52 2.246 0.237 -3.720 1.00 0.00 O ATOM 849 CB VAL A 52 3.540 -1.944 -5.501 1.00 0.00 C ATOM 850 CG1 VAL A 52 2.673 -1.810 -6.746 1.00 0.00 C ATOM 851 CG2 VAL A 52 4.694 -2.901 -5.758 1.00 0.00 C ATOM 0 H VAL A 52 4.443 -0.953 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 52 4.665 -0.164 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 52 2.929 -2.350 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.307 -2.793 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.827 -1.158 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.264 -1.383 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.301 -3.870 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.331 -2.500 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.278 -3.020 -4.845 1.00 0.00 H new ATOM 861 N CYS A 53 2.654 1.286 -5.682 1.00 0.00 N ATOM 862 CA CYS A 53 1.545 2.213 -5.543 1.00 0.00 C ATOM 863 C CYS A 53 0.623 2.046 -6.753 1.00 0.00 C ATOM 864 O CYS A 53 1.046 1.552 -7.797 1.00 0.00 O ATOM 865 CB CYS A 53 2.031 3.658 -5.393 1.00 0.00 C ATOM 866 SG CYS A 53 3.372 3.891 -4.171 1.00 0.00 S ATOM 0 H CYS A 53 3.209 1.408 -6.529 1.00 0.00 H new ATOM 0 HA CYS A 53 0.992 1.987 -4.631 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.377 4.013 -6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.185 4.284 -5.108 1.00 0.00 H new ATOM 871 N CYS A 54 -0.620 2.466 -6.573 1.00 0.00 N ATOM 872 CA CYS A 54 -1.577 2.465 -7.666 1.00 0.00 C ATOM 873 C CYS A 54 -2.636 3.529 -7.378 1.00 0.00 C ATOM 874 O CYS A 54 -2.968 3.784 -6.221 1.00 0.00 O ATOM 875 CB CYS A 54 -2.199 1.082 -7.872 1.00 0.00 C ATOM 876 SG CYS A 54 -2.769 0.259 -6.340 1.00 0.00 S ATOM 0 H CYS A 54 -0.987 2.810 -5.686 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.067 2.705 -8.599 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.045 1.178 -8.552 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.467 0.440 -8.362 1.00 0.00 H new ATOM 881 N ASN A 55 -3.140 4.124 -8.450 1.00 0.00 N ATOM 882 CA ASN A 55 -3.792 5.419 -8.351 1.00 0.00 C ATOM 883 C ASN A 55 -5.307 5.231 -8.456 1.00 0.00 C ATOM 884 O ASN A 55 -6.007 6.092 -8.987 1.00 0.00 O ATOM 885 CB ASN A 55 -3.293 6.386 -9.410 1.00 0.00 C ATOM 886 CG ASN A 55 -3.559 5.931 -10.819 1.00 0.00 C ATOM 887 OD1 ASN A 55 -3.964 4.787 -11.057 1.00 0.00 O ATOM 888 ND2 ASN A 55 -3.255 6.792 -11.756 1.00 0.00 N ATOM 0 H ASN A 55 -3.110 3.733 -9.392 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.545 5.856 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.766 7.356 -9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.220 6.530 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.348 6.531 -12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.925 7.724 -11.505 1.00 0.00 H new ATOM 895 N THR A 56 -5.767 4.100 -7.941 1.00 0.00 N ATOM 896 CA THR A 56 -7.196 3.839 -7.867 1.00 0.00 C ATOM 897 C THR A 56 -7.561 3.266 -6.496 1.00 0.00 C ATOM 898 O THR A 56 -6.682 2.930 -5.704 1.00 0.00 O ATOM 899 CB THR A 56 -7.652 2.864 -8.968 1.00 0.00 C ATOM 900 OG1 THR A 56 -6.905 1.644 -8.870 1.00 0.00 O ATOM 901 CG2 THR A 56 -7.438 3.476 -10.343 1.00 0.00 C ATOM 0 H THR A 56 -5.177 3.355 -7.571 1.00 0.00 H new ATOM 0 HA THR A 56 -7.709 4.789 -8.016 1.00 0.00 H new ATOM 0 HB THR A 56 -8.714 2.659 -8.834 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.198 1.024 -9.570 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.766 2.773 -11.109 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.015 4.397 -10.425 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.380 3.697 -10.482 1.00 0.00 H new ATOM 909 N ASP A 57 -8.862 3.170 -6.259 1.00 0.00 N ATOM 910 CA ASP A 57 -9.356 2.817 -4.940 1.00 0.00 C ATOM 911 C ASP A 57 -9.260 1.301 -4.753 1.00 0.00 C ATOM 912 O ASP A 57 -9.546 0.539 -5.675 1.00 0.00 O ATOM 913 CB ASP A 57 -10.799 3.295 -4.753 1.00 0.00 C ATOM 914 CG ASP A 57 -10.948 4.804 -4.609 1.00 0.00 C ATOM 915 OD1 ASP A 57 -10.313 5.364 -3.748 1.00 0.00 O ATOM 916 OD2 ASP A 57 -11.567 5.402 -5.456 1.00 0.00 O ATOM 0 H ASP A 57 -9.587 3.331 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.744 3.311 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.392 2.963 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.216 2.815 -3.868 1.00 0.00 H new ATOM 922 N ARG A 58 -8.858 0.908 -3.553 1.00 0.00 N ATOM 923 CA ARG A 58 -8.856 -0.497 -3.186 1.00 0.00 C ATOM 924 C ARG A 58 -8.115 -1.319 -4.243 1.00 0.00 C ATOM 925 O ARG A 58 -8.491 -2.456 -4.524 1.00 0.00 O ATOM 926 CB ARG A 58 -10.260 -1.029 -2.934 1.00 0.00 C ATOM 927 CG ARG A 58 -11.020 -0.324 -1.822 1.00 0.00 C ATOM 928 CD ARG A 58 -12.246 -1.032 -1.374 1.00 0.00 C ATOM 929 NE ARG A 58 -12.003 -2.328 -0.761 1.00 0.00 N ATOM 930 CZ ARG A 58 -12.961 -3.231 -0.476 1.00 0.00 C ATOM 931 NH1 ARG A 58 -14.229 -2.971 -0.709 1.00 0.00 N ATOM 932 NH2 ARG A 58 -12.595 -4.378 0.069 1.00 0.00 N ATOM 0 H ARG A 58 -8.531 1.540 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.322 -0.595 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.835 -0.947 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.193 -2.090 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.355 -0.197 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.295 0.674 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.775 -0.400 -0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.906 -1.167 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.039 -2.570 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.500 -2.074 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.941 -3.666 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.610 -4.559 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.297 -5.082 0.296 1.00 0.00 H new ATOM 945 N CYS A 59 -7.079 -0.711 -4.801 1.00 0.00 N ATOM 946 CA CYS A 59 -6.326 -1.347 -5.868 1.00 0.00 C ATOM 947 C CYS A 59 -5.254 -2.239 -5.235 1.00 0.00 C ATOM 948 O CYS A 59 -4.869 -3.255 -5.811 1.00 0.00 O ATOM 949 CB CYS A 59 -5.718 -0.316 -6.823 1.00 0.00 C ATOM 950 SG CYS A 59 -4.647 0.934 -6.023 1.00 0.00 S ATOM 0 H CYS A 59 -6.743 0.215 -4.535 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.995 -1.958 -6.474 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.136 -0.842 -7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.527 0.198 -7.343 1.00 0.00 H new ATOM 955 N ASN A 60 -4.804 -1.825 -4.060 1.00 0.00 N ATOM 956 CA ASN A 60 -3.749 -2.543 -3.368 1.00 0.00 C ATOM 957 C ASN A 60 -4.371 -3.496 -2.344 1.00 0.00 C ATOM 958 O ASN A 60 -5.286 -4.251 -2.670 1.00 0.00 O ATOM 959 CB ASN A 60 -2.827 -1.581 -2.618 1.00 0.00 C ATOM 960 CG ASN A 60 -3.565 -0.905 -1.460 1.00 0.00 C ATOM 961 OD1 ASN A 60 -4.759 -1.069 -1.271 1.00 0.00 O ATOM 962 ND2 ASN A 60 -2.791 -0.140 -0.696 1.00 0.00 N ATOM 963 OXT ASN A 60 -3.966 -3.510 -1.215 1.00 0.00 O ATOM 0 H ASN A 60 -5.151 -1.001 -3.570 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.171 -3.090 -4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.963 -2.124 -2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.449 -0.824 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.190 0.352 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.798 -0.045 -0.909 1.00 0.00 H new