USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 485 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 53 SER OG : rot 180:sc= 1.06 USER MOD Set 1.2: A 56 THR OG1 : rot 80:sc= 1.07 USER MOD Set 2.1: A 37 SER OG : rot -171:sc= 1.17 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.775 K(o=1.9,f=-0.48) USER MOD Single : A 3 GLN : amide:sc= -0.439 K(o=-0.44,f=-3.6!) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 12 MET CE :methyl 172:sc= 0 (180deg=-0.0492) USER MOD Single : A 16 SER OG : rot 37:sc= 0.22 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 20 SER OG : rot 74:sc= 0.905 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0321) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0.171 (180deg=0.00114) USER MOD Single : A 33 SER OG : rot 50:sc= 0.43 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 64 MET CE :methyl -169:sc= -0.15 (180deg=-0.62) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0571 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.684 -19.694 0.681 1.00 0.00 N ATOM 37 CA GLN A 3 0.309 -19.231 0.824 1.00 0.00 C ATOM 38 C GLN A 3 0.297 -17.732 1.124 1.00 0.00 C ATOM 39 O GLN A 3 1.324 -17.150 1.468 1.00 0.00 O ATOM 40 CB GLN A 3 -0.396 -20.032 1.930 1.00 0.00 C ATOM 41 CG GLN A 3 -0.916 -21.393 1.442 1.00 0.00 C ATOM 42 CD GLN A 3 0.165 -22.274 0.820 1.00 0.00 C ATOM 43 OE1 GLN A 3 0.926 -22.925 1.531 1.00 0.00 O ATOM 44 NE2 GLN A 3 0.239 -22.304 -0.512 1.00 0.00 N ATOM 0 HA GLN A 3 -0.234 -19.392 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.297 -20.188 2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.230 -19.448 2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.366 -21.923 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.706 -21.229 0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.410 -21.750 -1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.944 -22.881 -0.971 1.00 0.00 H new ATOM 53 N GLU A 4 -0.879 -17.113 0.977 1.00 0.00 N ATOM 54 CA GLU A 4 -1.092 -15.696 1.217 1.00 0.00 C ATOM 55 C GLU A 4 -2.440 -15.505 1.911 1.00 0.00 C ATOM 56 O GLU A 4 -3.397 -16.211 1.596 1.00 0.00 O ATOM 57 CB GLU A 4 -0.996 -14.941 -0.115 1.00 0.00 C ATOM 58 CG GLU A 4 -1.002 -13.419 0.070 1.00 0.00 C ATOM 59 CD GLU A 4 -0.716 -12.709 -1.248 1.00 0.00 C ATOM 60 OE1 GLU A 4 0.453 -12.784 -1.687 1.00 0.00 O ATOM 61 OE2 GLU A 4 -1.665 -12.106 -1.794 1.00 0.00 O ATOM 0 H GLU A 4 -1.724 -17.601 0.681 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.326 -15.288 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.083 -15.237 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.831 -15.229 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.970 -13.100 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.253 -13.136 0.810 1.00 0.00 H new ATOM 68 N THR A 5 -2.502 -14.567 2.863 1.00 0.00 N ATOM 69 CA THR A 5 -3.690 -14.267 3.652 1.00 0.00 C ATOM 70 C THR A 5 -3.872 -12.755 3.748 1.00 0.00 C ATOM 71 O THR A 5 -2.890 -12.017 3.793 1.00 0.00 O ATOM 72 CB THR A 5 -3.585 -14.919 5.044 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.744 -14.643 5.805 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.367 -14.439 5.844 1.00 0.00 C ATOM 0 H THR A 5 -1.703 -13.983 3.108 1.00 0.00 H new ATOM 0 HA THR A 5 -4.570 -14.684 3.162 1.00 0.00 H new ATOM 0 HB THR A 5 -3.477 -15.989 4.865 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.002 -15.443 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.350 -14.935 6.814 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.455 -14.680 5.298 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.429 -13.360 5.989 1.00 0.00 H new ATOM 82 N VAL A 6 -5.132 -12.308 3.782 1.00 0.00 N ATOM 83 CA VAL A 6 -5.510 -10.919 3.984 1.00 0.00 C ATOM 84 C VAL A 6 -6.074 -10.805 5.396 1.00 0.00 C ATOM 85 O VAL A 6 -7.014 -11.518 5.750 1.00 0.00 O ATOM 86 CB VAL A 6 -6.526 -10.470 2.919 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.819 -8.970 3.064 1.00 0.00 C ATOM 88 CG2 VAL A 6 -6.007 -10.732 1.500 1.00 0.00 C ATOM 0 H VAL A 6 -5.935 -12.926 3.666 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.648 -10.260 3.878 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.436 -11.049 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.539 -8.665 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.230 -8.774 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.896 -8.405 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.750 -10.403 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.079 -10.181 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.822 -11.798 1.371 1.00 0.00 H new ATOM 98 N ILE A 7 -5.493 -9.907 6.197 1.00 0.00 N ATOM 99 CA ILE A 7 -5.901 -9.626 7.564 1.00 0.00 C ATOM 100 C ILE A 7 -6.271 -8.146 7.608 1.00 0.00 C ATOM 101 O ILE A 7 -5.429 -7.302 7.315 1.00 0.00 O ATOM 102 CB ILE A 7 -4.751 -9.966 8.535 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.322 -11.435 8.359 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.176 -9.697 9.987 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.175 -11.845 9.287 1.00 0.00 C ATOM 0 H ILE A 7 -4.700 -9.340 5.896 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.754 -10.231 7.871 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.899 -9.326 8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.180 -12.082 8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.019 -11.597 7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.353 -9.942 10.658 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.436 -8.645 10.101 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.041 -10.313 10.233 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.922 -12.891 9.112 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.304 -11.222 9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.482 -11.715 10.325 1.00 0.00 H new ATOM 117 N ASN A 8 -7.518 -7.824 7.965 1.00 0.00 N ATOM 118 CA ASN A 8 -7.968 -6.451 8.152 1.00 0.00 C ATOM 119 C ASN A 8 -7.281 -5.869 9.385 1.00 0.00 C ATOM 120 O ASN A 8 -7.221 -6.537 10.415 1.00 0.00 O ATOM 121 CB ASN A 8 -9.491 -6.408 8.325 1.00 0.00 C ATOM 122 CG ASN A 8 -10.221 -6.972 7.108 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.960 -6.564 5.979 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.130 -7.924 7.330 1.00 0.00 N ATOM 0 H ASN A 8 -8.246 -8.519 8.133 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.708 -5.860 7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.771 -6.977 9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.808 -5.379 8.493 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.636 -8.339 6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.319 -8.237 8.282 1.00 0.00 H new ATOM 131 N ILE A 9 -6.767 -4.638 9.273 1.00 0.00 N ATOM 132 CA ILE A 9 -6.069 -3.939 10.344 1.00 0.00 C ATOM 133 C ILE A 9 -6.657 -2.533 10.437 1.00 0.00 C ATOM 134 O ILE A 9 -6.381 -1.691 9.584 1.00 0.00 O ATOM 135 CB ILE A 9 -4.548 -3.883 10.093 1.00 0.00 C ATOM 136 CG1 ILE A 9 -3.958 -5.256 9.727 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.867 -3.327 11.353 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.467 -5.188 9.384 1.00 0.00 C ATOM 0 H ILE A 9 -6.830 -4.093 8.413 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.206 -4.475 11.283 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.365 -3.232 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.104 -5.943 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.504 -5.666 8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.790 -3.280 11.194 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.247 -2.327 11.561 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.081 -3.979 12.200 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.105 -6.185 9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.320 -4.524 8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.913 -4.806 10.242 1.00 0.00 H new ATOM 150 N ASP A 10 -7.455 -2.278 11.478 1.00 0.00 N ATOM 151 CA ASP A 10 -7.995 -0.959 11.769 1.00 0.00 C ATOM 152 C ASP A 10 -7.156 -0.308 12.873 1.00 0.00 C ATOM 153 O ASP A 10 -6.702 -0.983 13.798 1.00 0.00 O ATOM 154 CB ASP A 10 -9.476 -1.083 12.143 1.00 0.00 C ATOM 155 CG ASP A 10 -10.056 0.243 12.626 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.181 1.152 11.777 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.357 0.326 13.837 1.00 0.00 O ATOM 0 H ASP A 10 -7.744 -2.993 12.146 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.941 -0.314 10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.040 -1.432 11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.591 -1.835 12.924 1.00 0.00 H new ATOM 162 N GLY A 11 -6.951 1.010 12.756 1.00 0.00 N ATOM 163 CA GLY A 11 -6.195 1.820 13.700 1.00 0.00 C ATOM 164 C GLY A 11 -4.762 2.102 13.239 1.00 0.00 C ATOM 165 O GLY A 11 -3.925 2.460 14.065 1.00 0.00 O ATOM 0 H GLY A 11 -7.321 1.552 11.975 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.713 2.766 13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.167 1.312 14.664 1.00 0.00 H new ATOM 169 N MET A 12 -4.470 1.959 11.937 1.00 0.00 N ATOM 170 CA MET A 12 -3.162 2.272 11.375 1.00 0.00 C ATOM 171 C MET A 12 -3.035 3.787 11.196 1.00 0.00 C ATOM 172 O MET A 12 -3.131 4.301 10.083 1.00 0.00 O ATOM 173 CB MET A 12 -2.950 1.522 10.051 1.00 0.00 C ATOM 174 CG MET A 12 -2.986 0.002 10.244 1.00 0.00 C ATOM 175 SD MET A 12 -2.292 -0.956 8.867 1.00 0.00 S ATOM 176 CE MET A 12 -3.539 -0.669 7.591 1.00 0.00 C ATOM 0 H MET A 12 -5.142 1.621 11.248 1.00 0.00 H new ATOM 0 HA MET A 12 -2.381 1.941 12.060 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.722 1.816 9.339 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.992 1.811 9.619 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.440 -0.248 11.154 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.020 -0.306 10.398 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.188 -1.073 6.642 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.469 -1.162 7.874 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.713 0.402 7.487 1.00 0.00 H new ATOM 225 N SER A 16 3.492 6.068 9.940 1.00 0.00 N ATOM 226 CA SER A 16 4.249 5.543 11.066 1.00 0.00 C ATOM 227 C SER A 16 3.816 4.113 11.403 1.00 0.00 C ATOM 228 O SER A 16 4.657 3.225 11.528 1.00 0.00 O ATOM 229 CB SER A 16 4.059 6.469 12.273 1.00 0.00 C ATOM 230 OG SER A 16 4.359 7.802 11.909 1.00 0.00 O ATOM 0 HA SER A 16 5.305 5.507 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.033 6.404 12.634 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.706 6.152 13.091 1.00 0.00 H new ATOM 0 HG SER A 16 4.058 7.966 10.991 1.00 0.00 H new ATOM 236 N CYS A 17 2.502 3.893 11.537 1.00 0.00 N ATOM 237 CA CYS A 17 1.940 2.590 11.864 1.00 0.00 C ATOM 238 C CYS A 17 2.160 1.606 10.718 1.00 0.00 C ATOM 239 O CYS A 17 2.550 0.467 10.957 1.00 0.00 O ATOM 240 CB CYS A 17 0.448 2.718 12.178 1.00 0.00 C ATOM 241 SG CYS A 17 0.225 3.629 13.726 1.00 0.00 S ATOM 0 H CYS A 17 1.800 4.623 11.419 1.00 0.00 H new ATOM 0 HA CYS A 17 2.451 2.207 12.748 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.061 3.234 11.364 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.002 1.729 12.259 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.044 3.737 13.987 1.00 0.00 H new ATOM 247 N VAL A 18 1.915 2.052 9.479 1.00 0.00 N ATOM 248 CA VAL A 18 2.100 1.254 8.274 1.00 0.00 C ATOM 249 C VAL A 18 3.530 0.708 8.225 1.00 0.00 C ATOM 250 O VAL A 18 3.736 -0.487 8.021 1.00 0.00 O ATOM 251 CB VAL A 18 1.777 2.105 7.031 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.961 1.308 5.735 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.338 2.638 7.075 1.00 0.00 C ATOM 0 H VAL A 18 1.577 2.995 9.290 1.00 0.00 H new ATOM 0 HA VAL A 18 1.418 0.404 8.287 1.00 0.00 H new ATOM 0 HB VAL A 18 2.477 2.940 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.724 1.942 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.994 0.970 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.296 0.444 5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.143 3.234 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.359 1.801 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.207 3.258 7.962 1.00 0.00 H new ATOM 263 N GLN A 19 4.509 1.598 8.427 1.00 0.00 N ATOM 264 CA GLN A 19 5.932 1.303 8.433 1.00 0.00 C ATOM 265 C GLN A 19 6.285 0.323 9.554 1.00 0.00 C ATOM 266 O GLN A 19 7.028 -0.628 9.318 1.00 0.00 O ATOM 267 CB GLN A 19 6.700 2.625 8.565 1.00 0.00 C ATOM 268 CG GLN A 19 8.220 2.434 8.479 1.00 0.00 C ATOM 269 CD GLN A 19 8.970 3.764 8.531 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.369 4.830 8.655 1.00 0.00 O ATOM 271 NE2 GLN A 19 10.299 3.705 8.435 1.00 0.00 N ATOM 0 H GLN A 19 4.314 2.585 8.597 1.00 0.00 H new ATOM 0 HA GLN A 19 6.216 0.817 7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.378 3.308 7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.449 3.093 9.517 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.552 1.799 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.468 1.914 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.763 2.803 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.851 4.562 8.464 1.00 0.00 H new ATOM 280 N SER A 20 5.759 0.549 10.766 1.00 0.00 N ATOM 281 CA SER A 20 5.998 -0.323 11.909 1.00 0.00 C ATOM 282 C SER A 20 5.536 -1.750 11.611 1.00 0.00 C ATOM 283 O SER A 20 6.311 -2.691 11.760 1.00 0.00 O ATOM 284 CB SER A 20 5.302 0.228 13.159 1.00 0.00 C ATOM 285 OG SER A 20 5.806 1.507 13.482 1.00 0.00 O ATOM 0 H SER A 20 5.156 1.345 10.975 1.00 0.00 H new ATOM 0 HA SER A 20 7.071 -0.352 12.100 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.227 0.287 12.988 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.455 -0.452 13.997 1.00 0.00 H new ATOM 0 HG SER A 20 5.456 2.167 12.848 1.00 0.00 H new ATOM 291 N ILE A 21 4.278 -1.906 11.180 1.00 0.00 N ATOM 292 CA ILE A 21 3.686 -3.199 10.861 1.00 0.00 C ATOM 293 C ILE A 21 4.489 -3.876 9.750 1.00 0.00 C ATOM 294 O ILE A 21 4.882 -5.032 9.897 1.00 0.00 O ATOM 295 CB ILE A 21 2.202 -3.024 10.484 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.397 -2.502 11.691 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.595 -4.357 10.009 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.072 -1.872 11.256 1.00 0.00 C ATOM 0 H ILE A 21 3.639 -1.123 11.043 1.00 0.00 H new ATOM 0 HA ILE A 21 3.723 -3.848 11.736 1.00 0.00 H new ATOM 0 HB ILE A 21 2.149 -2.300 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.201 -3.323 12.380 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.990 -1.765 12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.547 -4.207 9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.139 -4.713 9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.669 -5.095 10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.467 -1.516 12.134 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.270 -1.034 10.587 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.532 -2.616 10.737 1.00 0.00 H new ATOM 310 N GLU A 22 4.735 -3.148 8.654 1.00 0.00 N ATOM 311 CA GLU A 22 5.497 -3.610 7.502 1.00 0.00 C ATOM 312 C GLU A 22 6.829 -4.216 7.953 1.00 0.00 C ATOM 313 O GLU A 22 7.095 -5.384 7.679 1.00 0.00 O ATOM 314 CB GLU A 22 5.688 -2.425 6.538 1.00 0.00 C ATOM 315 CG GLU A 22 6.547 -2.736 5.306 1.00 0.00 C ATOM 316 CD GLU A 22 5.941 -3.817 4.417 1.00 0.00 C ATOM 317 OE1 GLU A 22 4.770 -3.635 4.015 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.663 -4.804 4.154 1.00 0.00 O ATOM 0 H GLU A 22 4.396 -2.192 8.547 1.00 0.00 H new ATOM 0 HA GLU A 22 4.959 -4.400 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.708 -2.083 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.145 -1.599 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.679 -1.825 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.538 -3.053 5.631 1.00 0.00 H new ATOM 325 N GLY A 23 7.651 -3.426 8.651 1.00 0.00 N ATOM 326 CA GLY A 23 8.969 -3.834 9.109 1.00 0.00 C ATOM 327 C GLY A 23 8.907 -5.047 10.035 1.00 0.00 C ATOM 328 O GLY A 23 9.536 -6.066 9.754 1.00 0.00 O ATOM 0 H GLY A 23 7.409 -2.471 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.595 -4.068 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.443 -3.004 9.632 1.00 0.00 H new ATOM 332 N VAL A 24 8.162 -4.932 11.142 1.00 0.00 N ATOM 333 CA VAL A 24 8.107 -5.954 12.179 1.00 0.00 C ATOM 334 C VAL A 24 7.603 -7.281 11.610 1.00 0.00 C ATOM 335 O VAL A 24 8.292 -8.292 11.727 1.00 0.00 O ATOM 336 CB VAL A 24 7.253 -5.466 13.366 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.028 -6.584 14.394 1.00 0.00 C ATOM 338 CG2 VAL A 24 7.946 -4.296 14.077 1.00 0.00 C ATOM 0 H VAL A 24 7.579 -4.119 11.339 1.00 0.00 H new ATOM 0 HA VAL A 24 9.115 -6.133 12.553 1.00 0.00 H new ATOM 0 HB VAL A 24 6.292 -5.150 12.960 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.422 -6.205 15.217 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.512 -7.418 13.918 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.990 -6.924 14.778 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.331 -3.962 14.913 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.918 -4.620 14.449 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.082 -3.473 13.375 1.00 0.00 H new ATOM 348 N ILE A 25 6.409 -7.285 11.004 1.00 0.00 N ATOM 349 CA ILE A 25 5.775 -8.513 10.544 1.00 0.00 C ATOM 350 C ILE A 25 6.591 -9.174 9.430 1.00 0.00 C ATOM 351 O ILE A 25 6.703 -10.397 9.426 1.00 0.00 O ATOM 352 CB ILE A 25 4.302 -8.279 10.165 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.478 -7.676 11.320 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.649 -9.590 9.702 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.370 -8.566 12.564 1.00 0.00 C ATOM 0 H ILE A 25 5.865 -6.442 10.823 1.00 0.00 H new ATOM 0 HA ILE A 25 5.761 -9.222 11.372 1.00 0.00 H new ATOM 0 HB ILE A 25 4.305 -7.557 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.925 -6.725 11.609 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.473 -7.459 10.957 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.608 -9.405 9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.181 -9.974 8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.694 -10.323 10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.773 -8.060 13.323 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.893 -9.509 12.296 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.367 -8.763 12.958 1.00 0.00 H new ATOM 367 N SER A 26 7.182 -8.395 8.510 1.00 0.00 N ATOM 368 CA SER A 26 8.061 -8.937 7.473 1.00 0.00 C ATOM 369 C SER A 26 9.178 -9.805 8.064 1.00 0.00 C ATOM 370 O SER A 26 9.563 -10.803 7.456 1.00 0.00 O ATOM 371 CB SER A 26 8.653 -7.809 6.620 1.00 0.00 C ATOM 372 OG SER A 26 9.419 -8.346 5.562 1.00 0.00 O ATOM 0 H SER A 26 7.063 -7.383 8.467 1.00 0.00 H new ATOM 0 HA SER A 26 7.451 -9.577 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.852 -7.188 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.277 -7.164 7.239 1.00 0.00 H new ATOM 0 HG SER A 26 9.790 -7.616 5.024 1.00 0.00 H new ATOM 378 N LYS A 27 9.686 -9.435 9.248 1.00 0.00 N ATOM 379 CA LYS A 27 10.811 -10.101 9.891 1.00 0.00 C ATOM 380 C LYS A 27 10.368 -11.258 10.799 1.00 0.00 C ATOM 381 O LYS A 27 11.229 -11.944 11.349 1.00 0.00 O ATOM 382 CB LYS A 27 11.625 -9.066 10.683 1.00 0.00 C ATOM 383 CG LYS A 27 12.298 -8.048 9.751 1.00 0.00 C ATOM 384 CD LYS A 27 12.955 -6.894 10.522 1.00 0.00 C ATOM 385 CE LYS A 27 14.046 -7.336 11.506 1.00 0.00 C ATOM 386 NZ LYS A 27 15.119 -8.092 10.840 1.00 0.00 N ATOM 0 H LYS A 27 9.317 -8.652 9.788 1.00 0.00 H new ATOM 0 HA LYS A 27 11.432 -10.543 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.971 -8.544 11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.384 -9.575 11.276 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.052 -8.554 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.556 -7.645 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.388 -6.194 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.184 -6.353 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.470 -6.459 11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.601 -7.952 12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.867 -8.312 11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.732 -8.977 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.517 -7.522 10.067 1.00 0.00 H new ATOM 400 N LYS A 28 9.059 -11.508 10.958 1.00 0.00 N ATOM 401 CA LYS A 28 8.577 -12.656 11.720 1.00 0.00 C ATOM 402 C LYS A 28 8.857 -13.942 10.930 1.00 0.00 C ATOM 403 O LYS A 28 8.786 -13.927 9.701 1.00 0.00 O ATOM 404 CB LYS A 28 7.075 -12.525 12.011 1.00 0.00 C ATOM 405 CG LYS A 28 6.740 -11.352 12.941 1.00 0.00 C ATOM 406 CD LYS A 28 7.109 -11.623 14.404 1.00 0.00 C ATOM 407 CE LYS A 28 6.758 -10.403 15.259 1.00 0.00 C ATOM 408 NZ LYS A 28 7.064 -10.634 16.679 1.00 0.00 N ATOM 0 H LYS A 28 8.319 -10.926 10.566 1.00 0.00 H new ATOM 0 HA LYS A 28 9.102 -12.694 12.675 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.539 -12.399 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.716 -13.451 12.461 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.267 -10.462 12.598 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.674 -11.136 12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.574 -12.500 14.768 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.174 -11.843 14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.313 -9.536 14.902 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.699 -10.171 15.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.814 -9.788 17.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.515 -11.447 17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.079 -10.831 16.788 1.00 0.00 H new ATOM 422 N PRO A 29 9.175 -15.057 11.610 1.00 0.00 N ATOM 423 CA PRO A 29 9.496 -16.316 10.958 1.00 0.00 C ATOM 424 C PRO A 29 8.277 -16.832 10.195 1.00 0.00 C ATOM 425 O PRO A 29 7.172 -16.865 10.736 1.00 0.00 O ATOM 426 CB PRO A 29 9.923 -17.269 12.077 1.00 0.00 C ATOM 427 CG PRO A 29 9.206 -16.715 13.308 1.00 0.00 C ATOM 428 CD PRO A 29 9.218 -15.207 13.056 1.00 0.00 C ATOM 0 HA PRO A 29 10.295 -16.214 10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.624 -18.296 11.866 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.005 -17.273 12.210 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.191 -17.103 13.394 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.726 -16.975 14.230 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.362 -14.723 13.527 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.114 -14.746 13.472 1.00 0.00 H new ATOM 436 N GLY A 30 8.486 -17.215 8.931 1.00 0.00 N ATOM 437 CA GLY A 30 7.432 -17.678 8.045 1.00 0.00 C ATOM 438 C GLY A 30 6.999 -16.600 7.059 1.00 0.00 C ATOM 439 O GLY A 30 6.682 -16.930 5.919 1.00 0.00 O ATOM 0 H GLY A 30 9.408 -17.209 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.779 -18.553 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.573 -17.993 8.637 1.00 0.00 H new ATOM 443 N VAL A 31 6.977 -15.330 7.484 1.00 0.00 N ATOM 444 CA VAL A 31 6.547 -14.225 6.637 1.00 0.00 C ATOM 445 C VAL A 31 7.617 -13.918 5.591 1.00 0.00 C ATOM 446 O VAL A 31 8.812 -14.007 5.870 1.00 0.00 O ATOM 447 CB VAL A 31 6.227 -12.977 7.476 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.719 -11.840 6.577 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.146 -13.299 8.509 1.00 0.00 C ATOM 0 H VAL A 31 7.257 -15.047 8.423 1.00 0.00 H new ATOM 0 HA VAL A 31 5.632 -14.521 6.123 1.00 0.00 H new ATOM 0 HB VAL A 31 7.143 -12.666 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.497 -10.965 7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.484 -11.586 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.814 -12.161 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.928 -12.408 9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.241 -13.627 7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.498 -14.092 9.169 1.00 0.00 H new ATOM 459 N LYS A 32 7.161 -13.549 4.390 1.00 0.00 N ATOM 460 CA LYS A 32 7.990 -13.111 3.281 1.00 0.00 C ATOM 461 C LYS A 32 7.592 -11.667 2.953 1.00 0.00 C ATOM 462 O LYS A 32 7.972 -10.750 3.681 1.00 0.00 O ATOM 463 CB LYS A 32 7.806 -14.094 2.115 1.00 0.00 C ATOM 464 CG LYS A 32 8.448 -15.453 2.440 1.00 0.00 C ATOM 465 CD LYS A 32 7.802 -16.593 1.645 1.00 0.00 C ATOM 466 CE LYS A 32 6.493 -17.030 2.310 1.00 0.00 C ATOM 467 NZ LYS A 32 5.826 -18.090 1.544 1.00 0.00 N ATOM 0 H LYS A 32 6.167 -13.550 4.163 1.00 0.00 H new ATOM 0 HA LYS A 32 9.054 -13.111 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.744 -14.228 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.255 -13.681 1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.514 -15.414 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.352 -15.654 3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.608 -16.268 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.488 -17.438 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.698 -17.384 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.827 -16.172 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.858 -18.220 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.791 -17.823 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.356 -18.979 1.648 1.00 0.00 H new ATOM 481 N SER A 33 6.831 -11.460 1.871 1.00 0.00 N ATOM 482 CA SER A 33 6.373 -10.153 1.434 1.00 0.00 C ATOM 483 C SER A 33 5.021 -9.822 2.068 1.00 0.00 C ATOM 484 O SER A 33 4.008 -10.416 1.697 1.00 0.00 O ATOM 485 CB SER A 33 6.290 -10.143 -0.097 1.00 0.00 C ATOM 486 OG SER A 33 5.493 -11.213 -0.559 1.00 0.00 O ATOM 0 H SER A 33 6.514 -12.219 1.268 1.00 0.00 H new ATOM 0 HA SER A 33 7.078 -9.386 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.870 -9.196 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.291 -10.219 -0.521 1.00 0.00 H new ATOM 0 HG SER A 33 4.644 -11.224 -0.070 1.00 0.00 H new ATOM 492 N ILE A 34 5.007 -8.865 3.005 1.00 0.00 N ATOM 493 CA ILE A 34 3.782 -8.277 3.531 1.00 0.00 C ATOM 494 C ILE A 34 3.519 -6.963 2.798 1.00 0.00 C ATOM 495 O ILE A 34 4.453 -6.226 2.483 1.00 0.00 O ATOM 496 CB ILE A 34 3.816 -8.110 5.063 1.00 0.00 C ATOM 497 CG1 ILE A 34 2.461 -7.547 5.530 1.00 0.00 C ATOM 498 CG2 ILE A 34 4.958 -7.206 5.540 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.297 -7.544 7.049 1.00 0.00 C ATOM 0 H ILE A 34 5.856 -8.478 3.418 1.00 0.00 H new ATOM 0 HA ILE A 34 2.951 -8.957 3.347 1.00 0.00 H new ATOM 0 HB ILE A 34 3.998 -9.091 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.351 -6.528 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.659 -8.136 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.930 -7.127 6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.913 -7.632 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.845 -6.215 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.321 -7.135 7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.375 -8.564 7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.078 -6.931 7.498 1.00 0.00 H new ATOM 511 N ARG A 35 2.241 -6.696 2.514 1.00 0.00 N ATOM 512 CA ARG A 35 1.783 -5.552 1.747 1.00 0.00 C ATOM 513 C ARG A 35 0.733 -4.833 2.597 1.00 0.00 C ATOM 514 O ARG A 35 -0.441 -5.207 2.577 1.00 0.00 O ATOM 515 CB ARG A 35 1.209 -6.044 0.410 1.00 0.00 C ATOM 516 CG ARG A 35 2.173 -6.963 -0.356 1.00 0.00 C ATOM 517 CD ARG A 35 1.460 -7.605 -1.550 1.00 0.00 C ATOM 518 NE ARG A 35 2.222 -8.741 -2.088 1.00 0.00 N ATOM 519 CZ ARG A 35 2.254 -9.974 -1.553 1.00 0.00 C ATOM 520 NH1 ARG A 35 1.642 -10.245 -0.391 1.00 0.00 N ATOM 521 NH2 ARG A 35 2.909 -10.949 -2.198 1.00 0.00 N ATOM 0 H ARG A 35 1.477 -7.296 2.826 1.00 0.00 H new ATOM 0 HA ARG A 35 2.591 -4.858 1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.277 -6.578 0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.964 -5.183 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.034 -6.391 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.553 -7.738 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.470 -7.942 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.316 -6.860 -2.332 1.00 0.00 H new ATOM 0 HE ARG A 35 2.770 -8.581 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.140 -9.509 0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.679 -11.188 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.375 -10.751 -3.083 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.941 -11.889 -1.804 1.00 0.00 H new ATOM 535 N VAL A 36 1.158 -3.815 3.356 1.00 0.00 N ATOM 536 CA VAL A 36 0.297 -3.102 4.291 1.00 0.00 C ATOM 537 C VAL A 36 -0.371 -1.938 3.559 1.00 0.00 C ATOM 538 O VAL A 36 0.230 -0.878 3.390 1.00 0.00 O ATOM 539 CB VAL A 36 1.095 -2.637 5.524 1.00 0.00 C ATOM 540 CG1 VAL A 36 0.141 -2.045 6.570 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.852 -3.798 6.179 1.00 0.00 C ATOM 0 H VAL A 36 2.116 -3.465 3.334 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.482 -3.768 4.662 1.00 0.00 H new ATOM 0 HB VAL A 36 1.811 -1.890 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.712 -1.718 7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.386 -1.193 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.581 -2.803 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.403 -3.431 7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.142 -4.561 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.550 -4.228 5.461 1.00 0.00 H new ATOM 551 N SER A 37 -1.620 -2.146 3.125 1.00 0.00 N ATOM 552 CA SER A 37 -2.413 -1.145 2.431 1.00 0.00 C ATOM 553 C SER A 37 -3.200 -0.330 3.450 1.00 0.00 C ATOM 554 O SER A 37 -4.154 -0.830 4.046 1.00 0.00 O ATOM 555 CB SER A 37 -3.357 -1.819 1.431 1.00 0.00 C ATOM 556 OG SER A 37 -4.155 -0.838 0.798 1.00 0.00 O ATOM 0 H SER A 37 -2.109 -3.032 3.252 1.00 0.00 H new ATOM 0 HA SER A 37 -1.753 -0.478 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.782 -2.370 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.991 -2.542 1.944 1.00 0.00 H new ATOM 0 HG SER A 37 -4.849 -1.276 0.263 1.00 0.00 H new ATOM 562 N LEU A 38 -2.807 0.935 3.628 1.00 0.00 N ATOM 563 CA LEU A 38 -3.549 1.901 4.422 1.00 0.00 C ATOM 564 C LEU A 38 -4.911 2.166 3.779 1.00 0.00 C ATOM 565 O LEU A 38 -5.921 2.217 4.476 1.00 0.00 O ATOM 566 CB LEU A 38 -2.721 3.187 4.553 1.00 0.00 C ATOM 567 CG LEU A 38 -3.378 4.277 5.419 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.631 3.807 6.857 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.465 5.508 5.451 1.00 0.00 C ATOM 0 H LEU A 38 -1.954 1.315 3.217 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.730 1.507 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.749 2.938 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.539 3.591 3.557 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.344 4.515 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.095 4.612 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.293 2.941 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.684 3.533 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.923 6.285 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.499 5.234 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.322 5.881 4.437 1.00 0.00 H new ATOM 581 N ALA A 39 -4.930 2.319 2.447 1.00 0.00 N ATOM 582 CA ALA A 39 -6.130 2.571 1.660 1.00 0.00 C ATOM 583 C ALA A 39 -7.214 1.527 1.930 1.00 0.00 C ATOM 584 O ALA A 39 -8.361 1.888 2.187 1.00 0.00 O ATOM 585 CB ALA A 39 -5.765 2.606 0.173 1.00 0.00 C ATOM 0 H ALA A 39 -4.084 2.268 1.879 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.539 3.537 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.662 2.794 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.040 3.400 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.333 1.648 -0.118 1.00 0.00 H new ATOM 591 N ASN A 40 -6.851 0.238 1.879 1.00 0.00 N ATOM 592 CA ASN A 40 -7.780 -0.861 2.127 1.00 0.00 C ATOM 593 C ASN A 40 -7.829 -1.259 3.608 1.00 0.00 C ATOM 594 O ASN A 40 -8.560 -2.187 3.954 1.00 0.00 O ATOM 595 CB ASN A 40 -7.398 -2.067 1.257 1.00 0.00 C ATOM 596 CG ASN A 40 -7.351 -1.722 -0.230 1.00 0.00 C ATOM 597 OD1 ASN A 40 -6.289 -1.766 -0.846 1.00 0.00 O ATOM 598 ND2 ASN A 40 -8.502 -1.382 -0.813 1.00 0.00 N ATOM 0 H ASN A 40 -5.902 -0.067 1.664 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.779 -0.519 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.424 -2.444 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.117 -2.870 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.521 -1.147 -1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.363 -1.357 -0.266 1.00 0.00 H new ATOM 605 N SER A 41 -7.068 -0.575 4.476 1.00 0.00 N ATOM 606 CA SER A 41 -6.980 -0.833 5.909 1.00 0.00 C ATOM 607 C SER A 41 -6.736 -2.316 6.200 1.00 0.00 C ATOM 608 O SER A 41 -7.474 -2.929 6.972 1.00 0.00 O ATOM 609 CB SER A 41 -8.230 -0.299 6.621 1.00 0.00 C ATOM 610 OG SER A 41 -8.372 1.084 6.373 1.00 0.00 O ATOM 0 H SER A 41 -6.477 0.202 4.181 1.00 0.00 H new ATOM 0 HA SER A 41 -6.117 -0.298 6.305 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.114 -0.832 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.153 -0.479 7.693 1.00 0.00 H new ATOM 0 HG SER A 41 -9.173 1.418 6.829 1.00 0.00 H new ATOM 616 N ASN A 42 -5.704 -2.896 5.576 1.00 0.00 N ATOM 617 CA ASN A 42 -5.389 -4.309 5.727 1.00 0.00 C ATOM 618 C ASN A 42 -3.917 -4.594 5.443 1.00 0.00 C ATOM 619 O ASN A 42 -3.204 -3.760 4.887 1.00 0.00 O ATOM 620 CB ASN A 42 -6.337 -5.172 4.869 1.00 0.00 C ATOM 621 CG ASN A 42 -6.202 -4.986 3.357 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.136 -4.660 2.839 1.00 0.00 O ATOM 623 ND2 ASN A 42 -7.297 -5.209 2.631 1.00 0.00 N ATOM 0 H ASN A 42 -5.069 -2.395 4.955 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.554 -4.585 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.161 -6.221 5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.365 -4.948 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.265 -5.110 1.616 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.167 -5.478 3.090 1.00 0.00 H new ATOM 630 N GLY A 43 -3.487 -5.796 5.833 1.00 0.00 N ATOM 631 CA GLY A 43 -2.179 -6.358 5.566 1.00 0.00 C ATOM 632 C GLY A 43 -2.368 -7.647 4.779 1.00 0.00 C ATOM 633 O GLY A 43 -2.985 -8.586 5.281 1.00 0.00 O ATOM 0 H GLY A 43 -4.079 -6.429 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.570 -5.653 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.652 -6.556 6.500 1.00 0.00 H new ATOM 637 N THR A 44 -1.832 -7.689 3.553 1.00 0.00 N ATOM 638 CA THR A 44 -1.851 -8.870 2.704 1.00 0.00 C ATOM 639 C THR A 44 -0.485 -9.533 2.855 1.00 0.00 C ATOM 640 O THR A 44 0.497 -9.094 2.256 1.00 0.00 O ATOM 641 CB THR A 44 -2.196 -8.481 1.261 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.492 -7.916 1.235 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.161 -9.694 0.328 1.00 0.00 C ATOM 0 H THR A 44 -1.368 -6.888 3.124 1.00 0.00 H new ATOM 0 HA THR A 44 -2.623 -9.583 2.996 1.00 0.00 H new ATOM 0 HB THR A 44 -1.453 -7.763 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.720 -7.663 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.410 -9.381 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.163 -10.131 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.885 -10.435 0.667 1.00 0.00 H new ATOM 651 N VAL A 45 -0.442 -10.575 3.693 1.00 0.00 N ATOM 652 CA VAL A 45 0.768 -11.223 4.163 1.00 0.00 C ATOM 653 C VAL A 45 1.013 -12.494 3.354 1.00 0.00 C ATOM 654 O VAL A 45 0.166 -13.385 3.362 1.00 0.00 O ATOM 655 CB VAL A 45 0.637 -11.579 5.659 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.032 -11.858 6.234 1.00 0.00 C ATOM 657 CG2 VAL A 45 -0.056 -10.495 6.497 1.00 0.00 C ATOM 0 H VAL A 45 -1.288 -11.000 4.072 1.00 0.00 H new ATOM 0 HA VAL A 45 1.608 -10.540 4.035 1.00 0.00 H new ATOM 0 HB VAL A 45 0.002 -12.463 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.946 -12.110 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.487 -12.691 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.656 -10.971 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.110 -10.818 7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.513 -9.568 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.063 -10.329 6.115 1.00 0.00 H new ATOM 667 N GLU A 46 2.171 -12.588 2.686 1.00 0.00 N ATOM 668 CA GLU A 46 2.630 -13.823 2.064 1.00 0.00 C ATOM 669 C GLU A 46 3.442 -14.569 3.122 1.00 0.00 C ATOM 670 O GLU A 46 4.334 -13.975 3.729 1.00 0.00 O ATOM 671 CB GLU A 46 3.473 -13.502 0.829 1.00 0.00 C ATOM 672 CG GLU A 46 3.758 -14.760 0.005 1.00 0.00 C ATOM 673 CD GLU A 46 4.608 -14.422 -1.214 1.00 0.00 C ATOM 674 OE1 GLU A 46 4.043 -13.808 -2.146 1.00 0.00 O ATOM 675 OE2 GLU A 46 5.806 -14.779 -1.192 1.00 0.00 O ATOM 0 H GLU A 46 2.812 -11.804 2.565 1.00 0.00 H new ATOM 0 HA GLU A 46 1.798 -14.440 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.952 -12.771 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.414 -13.046 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.274 -15.496 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.819 -15.213 -0.314 1.00 0.00 H new ATOM 682 N TYR A 47 3.124 -15.848 3.363 1.00 0.00 N ATOM 683 CA TYR A 47 3.661 -16.594 4.492 1.00 0.00 C ATOM 684 C TYR A 47 3.783 -18.093 4.207 1.00 0.00 C ATOM 685 O TYR A 47 3.255 -18.595 3.215 1.00 0.00 O ATOM 686 CB TYR A 47 2.778 -16.355 5.726 1.00 0.00 C ATOM 687 CG TYR A 47 1.445 -17.087 5.696 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.444 -16.700 4.785 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.236 -18.214 6.516 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.745 -17.439 4.681 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.029 -18.928 6.439 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.956 -18.550 5.513 1.00 0.00 C ATOM 693 OH TYR A 47 -2.116 -19.264 5.423 1.00 0.00 O ATOM 0 H TYR A 47 2.487 -16.388 2.777 1.00 0.00 H new ATOM 0 HA TYR A 47 4.672 -16.230 4.677 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.327 -16.662 6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.589 -15.286 5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.592 -15.830 4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.006 -18.529 7.205 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.497 -17.153 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.142 -19.770 7.094 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.098 -20.000 6.069 1.00 0.00 H new ATOM 703 N ASP A 48 4.480 -18.794 5.111 1.00 0.00 N ATOM 704 CA ASP A 48 4.618 -20.243 5.132 1.00 0.00 C ATOM 705 C ASP A 48 3.757 -20.811 6.273 1.00 0.00 C ATOM 706 O ASP A 48 4.083 -20.569 7.435 1.00 0.00 O ATOM 707 CB ASP A 48 6.101 -20.594 5.331 1.00 0.00 C ATOM 708 CG ASP A 48 6.379 -22.098 5.365 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.427 -22.882 5.153 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.555 -22.443 5.606 1.00 0.00 O ATOM 0 H ASP A 48 4.981 -18.342 5.876 1.00 0.00 H new ATOM 0 HA ASP A 48 4.278 -20.679 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.683 -20.144 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.449 -20.148 6.263 1.00 0.00 H new ATOM 715 N PRO A 49 2.687 -21.573 5.972 1.00 0.00 N ATOM 716 CA PRO A 49 1.851 -22.262 6.953 1.00 0.00 C ATOM 717 C PRO A 49 2.627 -23.064 8.001 1.00 0.00 C ATOM 718 O PRO A 49 2.206 -23.140 9.152 1.00 0.00 O ATOM 719 CB PRO A 49 0.929 -23.176 6.145 1.00 0.00 C ATOM 720 CG PRO A 49 0.770 -22.407 4.839 1.00 0.00 C ATOM 721 CD PRO A 49 2.169 -21.824 4.637 1.00 0.00 C ATOM 0 HA PRO A 49 1.308 -21.521 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.370 -24.160 5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.028 -23.332 6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.477 -23.059 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.011 -21.628 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.808 -22.520 4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.129 -20.904 4.053 1.00 0.00 H new ATOM 729 N LEU A 50 3.753 -23.669 7.601 1.00 0.00 N ATOM 730 CA LEU A 50 4.576 -24.494 8.474 1.00 0.00 C ATOM 731 C LEU A 50 5.167 -23.684 9.635 1.00 0.00 C ATOM 732 O LEU A 50 5.378 -24.236 10.712 1.00 0.00 O ATOM 733 CB LEU A 50 5.705 -25.148 7.663 1.00 0.00 C ATOM 734 CG LEU A 50 5.225 -25.990 6.466 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.444 -26.464 5.667 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.404 -27.205 6.914 1.00 0.00 C ATOM 0 H LEU A 50 4.116 -23.594 6.651 1.00 0.00 H new ATOM 0 HA LEU A 50 3.936 -25.266 8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.372 -24.367 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.291 -25.784 8.327 1.00 0.00 H new ATOM 0 HG LEU A 50 4.581 -25.364 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.112 -27.061 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.002 -25.599 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.086 -27.069 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.085 -27.771 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.015 -27.841 7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.527 -26.868 7.467 1.00 0.00 H new ATOM 748 N LEU A 51 5.443 -22.392 9.411 1.00 0.00 N ATOM 749 CA LEU A 51 6.163 -21.532 10.343 1.00 0.00 C ATOM 750 C LEU A 51 5.241 -20.523 11.037 1.00 0.00 C ATOM 751 O LEU A 51 5.507 -20.161 12.182 1.00 0.00 O ATOM 752 CB LEU A 51 7.300 -20.828 9.593 1.00 0.00 C ATOM 753 CG LEU A 51 8.376 -21.792 9.057 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.369 -21.016 8.185 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.147 -22.485 10.188 1.00 0.00 C ATOM 0 H LEU A 51 5.163 -21.911 8.556 1.00 0.00 H new ATOM 0 HA LEU A 51 6.579 -22.152 11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.880 -20.266 8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.771 -20.106 10.260 1.00 0.00 H new ATOM 0 HG LEU A 51 7.866 -22.559 8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.130 -21.698 7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.840 -20.561 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.844 -20.236 8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.894 -23.154 9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.642 -21.734 10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.454 -23.059 10.802 1.00 0.00 H new ATOM 767 N THR A 52 4.171 -20.065 10.373 1.00 0.00 N ATOM 768 CA THR A 52 3.204 -19.136 10.954 1.00 0.00 C ATOM 769 C THR A 52 1.818 -19.370 10.349 1.00 0.00 C ATOM 770 O THR A 52 1.670 -20.193 9.450 1.00 0.00 O ATOM 771 CB THR A 52 3.703 -17.690 10.795 1.00 0.00 C ATOM 772 OG1 THR A 52 2.922 -16.811 11.578 1.00 0.00 O ATOM 773 CG2 THR A 52 3.681 -17.218 9.338 1.00 0.00 C ATOM 0 H THR A 52 3.955 -20.333 9.413 1.00 0.00 H new ATOM 0 HA THR A 52 3.108 -19.317 12.025 1.00 0.00 H new ATOM 0 HB THR A 52 4.738 -17.679 11.136 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.252 -15.895 11.468 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.043 -16.191 9.283 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.323 -17.862 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.661 -17.264 8.956 1.00 0.00 H new ATOM 781 N SER A 53 0.799 -18.657 10.848 1.00 0.00 N ATOM 782 CA SER A 53 -0.592 -18.815 10.436 1.00 0.00 C ATOM 783 C SER A 53 -1.309 -17.460 10.493 1.00 0.00 C ATOM 784 O SER A 53 -0.831 -16.564 11.185 1.00 0.00 O ATOM 785 CB SER A 53 -1.279 -19.837 11.352 1.00 0.00 C ATOM 786 OG SER A 53 -1.515 -19.286 12.633 1.00 0.00 O ATOM 0 H SER A 53 0.927 -17.941 11.563 1.00 0.00 H new ATOM 0 HA SER A 53 -0.635 -19.180 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.223 -20.153 10.908 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.656 -20.727 11.443 1.00 0.00 H new ATOM 0 HG SER A 53 -1.955 -19.953 13.200 1.00 0.00 H new ATOM 792 N PRO A 54 -2.454 -17.291 9.804 1.00 0.00 N ATOM 793 CA PRO A 54 -3.258 -16.075 9.868 1.00 0.00 C ATOM 794 C PRO A 54 -3.562 -15.641 11.305 1.00 0.00 C ATOM 795 O PRO A 54 -3.508 -14.454 11.615 1.00 0.00 O ATOM 796 CB PRO A 54 -4.541 -16.381 9.089 1.00 0.00 C ATOM 797 CG PRO A 54 -4.101 -17.459 8.103 1.00 0.00 C ATOM 798 CD PRO A 54 -3.082 -18.255 8.913 1.00 0.00 C ATOM 0 HA PRO A 54 -2.715 -15.235 9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.336 -16.736 9.745 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.921 -15.497 8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.937 -18.080 7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.658 -17.030 7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.566 -19.053 9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.345 -18.726 8.262 1.00 0.00 H new ATOM 806 N GLU A 55 -3.871 -16.609 12.177 1.00 0.00 N ATOM 807 CA GLU A 55 -4.175 -16.375 13.581 1.00 0.00 C ATOM 808 C GLU A 55 -2.948 -15.852 14.332 1.00 0.00 C ATOM 809 O GLU A 55 -3.068 -14.914 15.117 1.00 0.00 O ATOM 810 CB GLU A 55 -4.684 -17.670 14.224 1.00 0.00 C ATOM 811 CG GLU A 55 -5.987 -18.147 13.572 1.00 0.00 C ATOM 812 CD GLU A 55 -6.522 -19.386 14.280 1.00 0.00 C ATOM 813 OE1 GLU A 55 -7.275 -19.199 15.261 1.00 0.00 O ATOM 814 OE2 GLU A 55 -6.166 -20.498 13.832 1.00 0.00 O ATOM 0 H GLU A 55 -3.916 -17.594 11.914 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.953 -15.614 13.644 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.924 -18.446 14.132 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.847 -17.509 15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.731 -17.351 13.610 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.812 -18.371 12.520 1.00 0.00 H new ATOM 821 N THR A 56 -1.773 -16.452 14.100 1.00 0.00 N ATOM 822 CA THR A 56 -0.523 -16.024 14.718 1.00 0.00 C ATOM 823 C THR A 56 -0.183 -14.589 14.301 1.00 0.00 C ATOM 824 O THR A 56 0.168 -13.765 15.143 1.00 0.00 O ATOM 825 CB THR A 56 0.607 -16.990 14.329 1.00 0.00 C ATOM 826 OG1 THR A 56 0.222 -18.320 14.605 1.00 0.00 O ATOM 827 CG2 THR A 56 1.905 -16.685 15.083 1.00 0.00 C ATOM 0 H THR A 56 -1.668 -17.251 13.475 1.00 0.00 H new ATOM 0 HA THR A 56 -0.637 -16.040 15.802 1.00 0.00 H new ATOM 0 HB THR A 56 0.789 -16.860 13.262 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.360 -18.647 13.888 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.677 -17.391 14.778 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.230 -15.670 14.853 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.733 -16.776 16.155 1.00 0.00 H new ATOM 835 N LEU A 57 -0.289 -14.301 12.999 1.00 0.00 N ATOM 836 CA LEU A 57 0.001 -12.997 12.421 1.00 0.00 C ATOM 837 C LEU A 57 -0.938 -11.938 12.997 1.00 0.00 C ATOM 838 O LEU A 57 -0.479 -10.896 13.459 1.00 0.00 O ATOM 839 CB LEU A 57 -0.114 -13.081 10.893 1.00 0.00 C ATOM 840 CG LEU A 57 0.938 -14.015 10.271 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.533 -14.365 8.834 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.332 -13.384 10.283 1.00 0.00 C ATOM 0 H LEU A 57 -0.586 -14.989 12.307 1.00 0.00 H new ATOM 0 HA LEU A 57 1.019 -12.702 12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.110 -13.433 10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.005 -12.083 10.469 1.00 0.00 H new ATOM 0 HG LEU A 57 0.981 -14.923 10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.280 -15.027 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.435 -14.865 8.841 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.466 -13.452 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.048 -14.074 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.316 -12.456 9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.627 -13.172 11.311 1.00 0.00 H new ATOM 854 N ARG A 58 -2.247 -12.220 12.992 1.00 0.00 N ATOM 855 CA ARG A 58 -3.254 -11.405 13.657 1.00 0.00 C ATOM 856 C ARG A 58 -2.859 -11.163 15.116 1.00 0.00 C ATOM 857 O ARG A 58 -2.960 -10.038 15.592 1.00 0.00 O ATOM 858 CB ARG A 58 -4.614 -12.103 13.556 1.00 0.00 C ATOM 859 CG ARG A 58 -5.717 -11.333 14.293 1.00 0.00 C ATOM 860 CD ARG A 58 -7.067 -12.039 14.165 1.00 0.00 C ATOM 861 NE ARG A 58 -6.993 -13.445 14.582 1.00 0.00 N ATOM 862 CZ ARG A 58 -6.891 -13.882 15.849 1.00 0.00 C ATOM 863 NH1 ARG A 58 -6.895 -13.023 16.879 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.783 -15.196 16.085 1.00 0.00 N ATOM 0 H ARG A 58 -2.635 -13.035 12.517 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.324 -10.433 13.169 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.888 -12.211 12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.536 -13.108 13.970 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.454 -11.235 15.346 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.792 -10.324 13.888 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.807 -11.519 14.773 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.408 -11.985 13.131 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.021 -14.151 13.847 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.976 -12.021 16.707 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.817 -13.372 17.834 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.779 -15.855 15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.705 -15.537 17.043 1.00 0.00 H new ATOM 878 N GLY A 59 -2.404 -12.211 15.813 1.00 0.00 N ATOM 879 CA GLY A 59 -1.933 -12.145 17.187 1.00 0.00 C ATOM 880 C GLY A 59 -0.804 -11.127 17.361 1.00 0.00 C ATOM 881 O GLY A 59 -0.855 -10.315 18.280 1.00 0.00 O ATOM 0 H GLY A 59 -2.355 -13.151 15.419 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.763 -11.880 17.842 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.584 -13.130 17.498 1.00 0.00 H new ATOM 885 N ALA A 60 0.208 -11.166 16.486 1.00 0.00 N ATOM 886 CA ALA A 60 1.345 -10.253 16.528 1.00 0.00 C ATOM 887 C ALA A 60 0.908 -8.802 16.302 1.00 0.00 C ATOM 888 O ALA A 60 1.332 -7.902 17.024 1.00 0.00 O ATOM 889 CB ALA A 60 2.385 -10.680 15.490 1.00 0.00 C ATOM 0 H ALA A 60 0.256 -11.841 15.723 1.00 0.00 H new ATOM 0 HA ALA A 60 1.792 -10.302 17.521 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.234 -9.997 15.523 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.725 -11.692 15.711 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.938 -10.656 14.496 1.00 0.00 H new ATOM 895 N ILE A 61 0.052 -8.578 15.299 1.00 0.00 N ATOM 896 CA ILE A 61 -0.486 -7.264 14.968 1.00 0.00 C ATOM 897 C ILE A 61 -1.304 -6.721 16.149 1.00 0.00 C ATOM 898 O ILE A 61 -1.158 -5.562 16.537 1.00 0.00 O ATOM 899 CB ILE A 61 -1.288 -7.363 13.655 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.374 -7.763 12.480 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.957 -6.023 13.331 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.159 -8.325 11.290 1.00 0.00 C ATOM 0 H ILE A 61 -0.289 -9.320 14.688 1.00 0.00 H new ATOM 0 HA ILE A 61 0.316 -6.546 14.799 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.051 -8.129 13.793 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.197 -6.893 12.156 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.345 -8.508 12.821 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.518 -6.112 12.401 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.635 -5.750 14.140 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.194 -5.252 13.222 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.467 -8.591 10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.709 -9.212 11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.860 -7.572 10.928 1.00 0.00 H new ATOM 914 N GLU A 62 -2.154 -7.569 16.732 1.00 0.00 N ATOM 915 CA GLU A 62 -2.970 -7.252 17.893 1.00 0.00 C ATOM 916 C GLU A 62 -2.089 -6.911 19.100 1.00 0.00 C ATOM 917 O GLU A 62 -2.383 -5.963 19.825 1.00 0.00 O ATOM 918 CB GLU A 62 -3.910 -8.433 18.168 1.00 0.00 C ATOM 919 CG GLU A 62 -4.962 -8.122 19.235 1.00 0.00 C ATOM 920 CD GLU A 62 -5.943 -9.285 19.367 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.834 -9.379 18.496 1.00 0.00 O ATOM 922 OE2 GLU A 62 -5.779 -10.062 20.333 1.00 0.00 O ATOM 0 H GLU A 62 -2.293 -8.522 16.395 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.575 -6.367 17.698 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.411 -8.715 17.242 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.321 -9.293 18.486 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.475 -7.938 20.193 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.500 -7.212 18.970 1.00 0.00 H new ATOM 929 N ASP A 63 -1.008 -7.676 19.303 1.00 0.00 N ATOM 930 CA ASP A 63 -0.054 -7.479 20.384 1.00 0.00 C ATOM 931 C ASP A 63 0.624 -6.110 20.286 1.00 0.00 C ATOM 932 O ASP A 63 0.760 -5.431 21.301 1.00 0.00 O ATOM 933 CB ASP A 63 0.972 -8.619 20.391 1.00 0.00 C ATOM 934 CG ASP A 63 1.972 -8.469 21.533 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.598 -8.835 22.668 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.092 -7.990 21.251 1.00 0.00 O ATOM 0 H ASP A 63 -0.774 -8.466 18.701 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.593 -7.497 21.331 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.455 -9.574 20.483 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.505 -8.635 19.440 1.00 0.00 H new ATOM 941 N MET A 64 1.038 -5.699 19.077 1.00 0.00 N ATOM 942 CA MET A 64 1.569 -4.358 18.849 1.00 0.00 C ATOM 943 C MET A 64 0.549 -3.299 19.273 1.00 0.00 C ATOM 944 O MET A 64 0.906 -2.372 19.999 1.00 0.00 O ATOM 945 CB MET A 64 1.979 -4.164 17.383 1.00 0.00 C ATOM 946 CG MET A 64 3.321 -4.837 17.080 1.00 0.00 C ATOM 947 SD MET A 64 4.005 -4.457 15.444 1.00 0.00 S ATOM 948 CE MET A 64 2.751 -5.236 14.405 1.00 0.00 C ATOM 0 H MET A 64 1.012 -6.284 18.242 1.00 0.00 H new ATOM 0 HA MET A 64 2.463 -4.241 19.461 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.209 -4.577 16.731 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.047 -3.099 17.161 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.043 -4.537 17.840 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.199 -5.917 17.166 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.104 -5.273 13.374 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.562 -6.249 14.760 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.829 -4.657 14.452 1.00 0.00 H new ATOM 958 N GLY A 65 -0.709 -3.450 18.839 1.00 0.00 N ATOM 959 CA GLY A 65 -1.819 -2.628 19.299 1.00 0.00 C ATOM 960 C GLY A 65 -2.617 -2.076 18.127 1.00 0.00 C ATOM 961 O GLY A 65 -2.649 -0.865 17.917 1.00 0.00 O ATOM 0 H GLY A 65 -0.980 -4.154 18.153 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.472 -3.220 19.940 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.439 -1.805 19.904 1.00 0.00 H new ATOM 965 N PHE A 66 -3.271 -2.971 17.379 1.00 0.00 N ATOM 966 CA PHE A 66 -4.181 -2.623 16.296 1.00 0.00 C ATOM 967 C PHE A 66 -5.378 -3.569 16.339 1.00 0.00 C ATOM 968 O PHE A 66 -5.252 -4.705 16.793 1.00 0.00 O ATOM 969 CB PHE A 66 -3.458 -2.727 14.949 1.00 0.00 C ATOM 970 CG PHE A 66 -2.214 -1.870 14.834 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.348 -0.479 14.688 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.931 -2.438 14.968 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.209 0.340 14.666 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.210 -1.619 14.933 1.00 0.00 C ATOM 975 CZ PHE A 66 0.071 -0.229 14.775 1.00 0.00 C ATOM 0 H PHE A 66 -3.177 -3.977 17.517 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.527 -1.596 16.415 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.183 -3.768 14.778 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.152 -2.446 14.156 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.330 -0.039 14.593 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.825 -3.505 15.098 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.316 1.410 14.565 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.193 -2.057 15.027 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.947 0.401 14.737 1.00 0.00 H new ATOM 985 N ASP A 67 -6.538 -3.108 15.860 1.00 0.00 N ATOM 986 CA ASP A 67 -7.737 -3.928 15.782 1.00 0.00 C ATOM 987 C ASP A 67 -7.607 -4.846 14.565 1.00 0.00 C ATOM 988 O ASP A 67 -7.996 -4.477 13.457 1.00 0.00 O ATOM 989 CB ASP A 67 -8.976 -3.028 15.730 1.00 0.00 C ATOM 990 CG ASP A 67 -10.258 -3.829 15.511 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.499 -4.751 16.320 1.00 0.00 O ATOM 992 OD2 ASP A 67 -10.975 -3.506 14.539 1.00 0.00 O ATOM 0 H ASP A 67 -6.665 -2.156 15.517 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.852 -4.556 16.666 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.055 -2.466 16.660 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.862 -2.300 14.927 1.00 0.00 H new ATOM 997 N ALA A 68 -7.033 -6.034 14.792 1.00 0.00 N ATOM 998 CA ALA A 68 -6.703 -7.008 13.762 1.00 0.00 C ATOM 999 C ALA A 68 -7.768 -8.103 13.701 1.00 0.00 C ATOM 1000 O ALA A 68 -8.174 -8.629 14.737 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.324 -7.599 14.061 1.00 0.00 C ATOM 0 H ALA A 68 -6.780 -6.347 15.729 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.678 -6.519 12.788 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.068 -8.330 13.294 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.580 -6.802 14.066 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.340 -8.086 15.036 1.00 0.00 H new ATOM 1007 N THR A 69 -8.219 -8.444 12.488 1.00 0.00 N ATOM 1008 CA THR A 69 -9.234 -9.465 12.248 1.00 0.00 C ATOM 1009 C THR A 69 -8.972 -10.096 10.880 1.00 0.00 C ATOM 1010 O THR A 69 -8.513 -9.409 9.972 1.00 0.00 O ATOM 1011 CB THR A 69 -10.636 -8.832 12.319 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.781 -8.094 13.516 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.742 -9.891 12.272 1.00 0.00 C ATOM 0 H THR A 69 -7.879 -8.006 11.632 1.00 0.00 H new ATOM 0 HA THR A 69 -9.185 -10.243 13.010 1.00 0.00 H new ATOM 0 HB THR A 69 -10.733 -8.179 11.452 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.676 -7.695 13.548 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.715 -9.403 12.325 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.668 -10.454 11.341 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.631 -10.571 13.117 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.257 -11.395 10.715 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.059 -12.081 9.442 1.00 0.00 C ATOM 1023 C LEU A 70 -9.998 -11.497 8.380 1.00 0.00 C ATOM 1024 O LEU A 70 -11.085 -11.022 8.709 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.306 -13.596 9.565 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.411 -14.393 10.533 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -6.955 -13.912 10.544 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -8.979 -14.457 11.955 1.00 0.00 C ATOM 0 H LEU A 70 -9.628 -11.990 11.456 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.021 -11.929 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.342 -13.743 9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.200 -14.034 8.573 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.408 -15.409 10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.378 -14.514 11.246 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.531 -14.013 9.545 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.920 -12.866 10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.305 -15.031 12.591 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.080 -13.447 12.352 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.957 -14.938 11.935 1.00 0.00 H new