USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 308 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 13 SER OG : rot 120:sc= -0.926 USER MOD Single : A 15 SER OG : rot -62:sc= 0.463 USER MOD Single : A 16 GLN : amide:sc= -2.47 K(o=-2.5,f=-9.5!) USER MOD Single : A 17 MET CE :methyl -134:sc= -16.3! (180deg=-18.4!) USER MOD Single : A 19 SER OG : rot -33:sc= 0.0509 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0753 X(o=-0.075,f=-0.075) USER MOD Single : A 35 THR OG1 : rot -128:sc= -8.32! USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= -0.0414 (180deg=-0.837) USER MOD Single : A 37 ASN : amide:sc= -0.996 K(o=-1,f=-0.29!) USER MOD Single : A 38 TYR OH : rot 180:sc= -1.9! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -7.09! C(o=-7.1!,f=-7.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 10 6.779 4.612 2.346 1.00 0.00 N ATOM 125 CA LEU A 10 5.903 4.356 1.167 1.00 0.00 C ATOM 126 C LEU A 10 6.463 3.173 0.381 1.00 0.00 C ATOM 127 O LEU A 10 5.739 2.443 -0.267 1.00 0.00 O ATOM 128 CB LEU A 10 5.960 5.646 0.340 1.00 0.00 C ATOM 129 CG LEU A 10 5.647 5.348 -1.128 1.00 0.00 C ATOM 130 CD1 LEU A 10 5.036 6.589 -1.782 1.00 0.00 C ATOM 131 CD2 LEU A 10 6.939 4.974 -1.857 1.00 0.00 C ATOM 0 HA LEU A 10 4.877 4.110 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.245 6.370 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.949 6.097 0.424 1.00 0.00 H new ATOM 0 HG LEU A 10 4.941 4.520 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.813 6.377 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.117 6.859 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.743 7.417 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.718 4.761 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.644 5.803 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.377 4.091 -1.392 1.00 0.00 H new ATOM 143 N ILE A 11 7.749 2.979 0.443 1.00 0.00 N ATOM 144 CA ILE A 11 8.370 1.845 -0.285 1.00 0.00 C ATOM 145 C ILE A 11 8.405 0.617 0.629 1.00 0.00 C ATOM 146 O ILE A 11 7.972 -0.456 0.258 1.00 0.00 O ATOM 147 CB ILE A 11 9.779 2.351 -0.641 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.791 2.809 -2.100 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.821 1.245 -0.450 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.612 1.599 -3.017 1.00 0.00 C ATOM 0 H ILE A 11 8.399 3.562 0.970 1.00 0.00 H new ATOM 0 HA ILE A 11 7.827 1.541 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 11 10.030 3.181 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.992 3.530 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.730 3.314 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.809 1.627 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.819 0.918 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.578 0.401 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.621 1.926 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.426 0.894 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.661 1.113 -2.797 1.00 0.00 H new ATOM 162 N GLU A 12 8.906 0.767 1.823 1.00 0.00 N ATOM 163 CA GLU A 12 8.950 -0.393 2.748 1.00 0.00 C ATOM 164 C GLU A 12 7.595 -1.093 2.752 1.00 0.00 C ATOM 165 O GLU A 12 7.485 -2.250 2.395 1.00 0.00 O ATOM 166 CB GLU A 12 9.260 0.193 4.115 1.00 0.00 C ATOM 167 CG GLU A 12 10.588 -0.369 4.626 1.00 0.00 C ATOM 168 CD GLU A 12 11.612 0.762 4.737 1.00 0.00 C ATOM 169 OE1 GLU A 12 11.215 1.863 5.081 1.00 0.00 O ATOM 170 OE2 GLU A 12 12.776 0.508 4.476 1.00 0.00 O ATOM 0 H GLU A 12 9.284 1.638 2.195 1.00 0.00 H new ATOM 0 HA GLU A 12 9.696 -1.133 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.314 1.280 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.459 -0.047 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.445 -0.841 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.954 -1.140 3.948 1.00 0.00 H new ATOM 177 N SER A 13 6.556 -0.403 3.135 1.00 0.00 N ATOM 178 CA SER A 13 5.223 -1.035 3.134 1.00 0.00 C ATOM 179 C SER A 13 4.959 -1.619 1.748 1.00 0.00 C ATOM 180 O SER A 13 4.506 -2.739 1.611 1.00 0.00 O ATOM 181 CB SER A 13 4.254 0.099 3.460 1.00 0.00 C ATOM 182 OG SER A 13 3.899 0.042 4.838 1.00 0.00 O ATOM 0 H SER A 13 6.580 0.568 3.446 1.00 0.00 H new ATOM 0 HA SER A 13 5.124 -1.850 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.714 1.061 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.361 0.017 2.840 1.00 0.00 H new ATOM 0 HG SER A 13 4.166 0.875 5.279 1.00 0.00 H new ATOM 188 N LEU A 14 5.263 -0.880 0.713 1.00 0.00 N ATOM 189 CA LEU A 14 5.053 -1.420 -0.659 1.00 0.00 C ATOM 190 C LEU A 14 5.801 -2.744 -0.798 1.00 0.00 C ATOM 191 O LEU A 14 5.360 -3.652 -1.473 1.00 0.00 O ATOM 192 CB LEU A 14 5.657 -0.371 -1.600 1.00 0.00 C ATOM 193 CG LEU A 14 4.663 0.003 -2.708 1.00 0.00 C ATOM 194 CD1 LEU A 14 3.898 -1.239 -3.176 1.00 0.00 C ATOM 195 CD2 LEU A 14 3.675 1.041 -2.173 1.00 0.00 C ATOM 0 H LEU A 14 5.644 0.065 0.759 1.00 0.00 H new ATOM 0 HA LEU A 14 4.002 -1.604 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.929 0.519 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.574 -0.759 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 14 5.212 0.418 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.196 -0.959 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.602 -1.976 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.350 -1.667 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.968 1.309 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.134 0.624 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.219 1.931 -1.856 1.00 0.00 H new ATOM 207 N SER A 15 6.939 -2.858 -0.164 1.00 0.00 N ATOM 208 CA SER A 15 7.718 -4.116 -0.262 1.00 0.00 C ATOM 209 C SER A 15 6.903 -5.295 0.269 1.00 0.00 C ATOM 210 O SER A 15 6.902 -6.365 -0.307 1.00 0.00 O ATOM 211 CB SER A 15 8.955 -3.885 0.604 1.00 0.00 C ATOM 212 OG SER A 15 8.657 -4.232 1.950 1.00 0.00 O ATOM 0 H SER A 15 7.358 -2.131 0.416 1.00 0.00 H new ATOM 0 HA SER A 15 7.979 -4.356 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.787 -4.486 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.265 -2.842 0.545 1.00 0.00 H new ATOM 0 HG SER A 15 7.942 -3.652 2.287 1.00 0.00 H new ATOM 218 N GLN A 16 6.217 -5.122 1.367 1.00 0.00 N ATOM 219 CA GLN A 16 5.428 -6.241 1.918 1.00 0.00 C ATOM 220 C GLN A 16 4.284 -6.615 0.974 1.00 0.00 C ATOM 221 O GLN A 16 3.904 -7.764 0.882 1.00 0.00 O ATOM 222 CB GLN A 16 4.920 -5.727 3.269 1.00 0.00 C ATOM 223 CG GLN A 16 3.603 -4.967 3.096 1.00 0.00 C ATOM 224 CD GLN A 16 2.428 -5.928 3.296 1.00 0.00 C ATOM 225 OE1 GLN A 16 1.641 -6.139 2.396 1.00 0.00 O ATOM 226 NE2 GLN A 16 2.277 -6.523 4.448 1.00 0.00 N ATOM 0 H GLN A 16 6.174 -4.253 1.899 1.00 0.00 H new ATOM 0 HA GLN A 16 6.013 -7.153 2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.776 -6.564 3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.667 -5.073 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.545 -4.150 3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.556 -4.521 2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.938 -6.346 5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.498 -7.165 4.592 1.00 0.00 H new ATOM 235 N MET A 17 3.741 -5.671 0.255 1.00 0.00 N ATOM 236 CA MET A 17 2.650 -6.021 -0.679 1.00 0.00 C ATOM 237 C MET A 17 3.264 -6.604 -1.947 1.00 0.00 C ATOM 238 O MET A 17 2.614 -7.293 -2.708 1.00 0.00 O ATOM 239 CB MET A 17 1.926 -4.712 -0.952 1.00 0.00 C ATOM 240 CG MET A 17 0.872 -4.495 0.133 1.00 0.00 C ATOM 241 SD MET A 17 -0.498 -3.533 -0.542 1.00 0.00 S ATOM 242 CE MET A 17 0.456 -2.048 -0.944 1.00 0.00 C ATOM 0 H MET A 17 4.006 -4.686 0.277 1.00 0.00 H new ATOM 0 HA MET A 17 1.958 -6.765 -0.284 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.635 -3.884 -0.961 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.456 -4.739 -1.935 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.510 -5.455 0.500 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.312 -3.974 0.983 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.084 -1.165 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.427 -2.094 -0.450 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.600 -1.989 -2.023 1.00 0.00 H new ATOM 252 N LEU A 18 4.530 -6.357 -2.163 1.00 0.00 N ATOM 253 CA LEU A 18 5.199 -6.925 -3.361 1.00 0.00 C ATOM 254 C LEU A 18 5.411 -8.416 -3.132 1.00 0.00 C ATOM 255 O LEU A 18 5.473 -9.203 -4.055 1.00 0.00 O ATOM 256 CB LEU A 18 6.536 -6.191 -3.473 1.00 0.00 C ATOM 257 CG LEU A 18 7.259 -6.638 -4.744 1.00 0.00 C ATOM 258 CD1 LEU A 18 6.564 -6.035 -5.967 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.712 -6.160 -4.699 1.00 0.00 C ATOM 0 H LEU A 18 5.125 -5.788 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 18 4.617 -6.805 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.371 -5.114 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.152 -6.401 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 18 7.234 -7.726 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.080 -6.354 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.528 -6.374 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.588 -4.947 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.228 -6.478 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.735 -5.072 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.209 -6.588 -3.829 1.00 0.00 H new ATOM 271 N SER A 19 5.497 -8.804 -1.893 1.00 0.00 N ATOM 272 CA SER A 19 5.676 -10.246 -1.571 1.00 0.00 C ATOM 273 C SER A 19 4.364 -10.797 -1.012 1.00 0.00 C ATOM 274 O SER A 19 4.332 -11.808 -0.340 1.00 0.00 O ATOM 275 CB SER A 19 6.778 -10.288 -0.512 1.00 0.00 C ATOM 276 OG SER A 19 6.259 -9.821 0.726 1.00 0.00 O ATOM 0 H SER A 19 5.451 -8.183 -1.085 1.00 0.00 H new ATOM 0 HA SER A 19 5.942 -10.846 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.153 -11.305 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.620 -9.670 -0.823 1.00 0.00 H new ATOM 0 HG SER A 19 5.587 -9.128 0.558 1.00 0.00 H new ATOM 282 N MET A 20 3.283 -10.122 -1.286 1.00 0.00 N ATOM 283 CA MET A 20 1.959 -10.574 -0.778 1.00 0.00 C ATOM 284 C MET A 20 1.200 -11.345 -1.851 1.00 0.00 C ATOM 285 O MET A 20 0.910 -12.517 -1.716 1.00 0.00 O ATOM 286 CB MET A 20 1.220 -9.292 -0.433 1.00 0.00 C ATOM 287 CG MET A 20 1.126 -9.144 1.086 1.00 0.00 C ATOM 288 SD MET A 20 -0.300 -10.077 1.695 1.00 0.00 S ATOM 289 CE MET A 20 0.606 -11.158 2.828 1.00 0.00 C ATOM 0 H MET A 20 3.261 -9.269 -1.845 1.00 0.00 H new ATOM 0 HA MET A 20 2.058 -11.244 0.076 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.740 -8.435 -0.860 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.221 -9.308 -0.869 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.040 -9.508 1.555 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.028 -8.092 1.354 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.092 -11.832 3.324 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.338 -11.741 2.268 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.119 -10.553 3.576 1.00 0.00 H new ATOM 299 N GLY A 21 0.854 -10.672 -2.898 1.00 0.00 N ATOM 300 CA GLY A 21 0.082 -11.302 -3.989 1.00 0.00 C ATOM 301 C GLY A 21 -1.122 -10.421 -4.227 1.00 0.00 C ATOM 302 O GLY A 21 -2.254 -10.863 -4.257 1.00 0.00 O ATOM 0 H GLY A 21 1.079 -9.688 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.686 -11.386 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.224 -12.312 -3.715 1.00 0.00 H new ATOM 306 N PHE A 22 -0.872 -9.157 -4.327 1.00 0.00 N ATOM 307 CA PHE A 22 -1.972 -8.190 -4.484 1.00 0.00 C ATOM 308 C PHE A 22 -2.177 -7.734 -5.921 1.00 0.00 C ATOM 309 O PHE A 22 -1.506 -8.153 -6.843 1.00 0.00 O ATOM 310 CB PHE A 22 -1.548 -7.019 -3.613 1.00 0.00 C ATOM 311 CG PHE A 22 -1.923 -7.320 -2.195 1.00 0.00 C ATOM 312 CD1 PHE A 22 -3.182 -7.855 -1.913 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.019 -7.063 -1.160 1.00 0.00 C ATOM 314 CE1 PHE A 22 -3.537 -8.134 -0.595 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.379 -7.338 0.160 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.642 -7.877 0.439 1.00 0.00 C ATOM 0 H PHE A 22 0.062 -8.748 -4.306 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.927 -8.633 -4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.473 -6.857 -3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.035 -6.103 -3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.879 -8.052 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.045 -6.653 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.509 -8.551 -0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.686 -7.136 0.964 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.922 -8.094 1.459 1.00 0.00 H new ATOM 326 N SER A 23 -3.135 -6.872 -6.086 1.00 0.00 N ATOM 327 CA SER A 23 -3.478 -6.336 -7.419 1.00 0.00 C ATOM 328 C SER A 23 -2.970 -4.904 -7.569 1.00 0.00 C ATOM 329 O SER A 23 -2.018 -4.496 -6.933 1.00 0.00 O ATOM 330 CB SER A 23 -5.005 -6.346 -7.448 1.00 0.00 C ATOM 331 OG SER A 23 -5.454 -7.232 -8.463 1.00 0.00 O ATOM 0 H SER A 23 -3.710 -6.508 -5.326 1.00 0.00 H new ATOM 0 HA SER A 23 -3.032 -6.919 -8.225 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.396 -6.658 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.382 -5.341 -7.635 1.00 0.00 H new ATOM 0 HG SER A 23 -6.434 -7.240 -8.480 1.00 0.00 H new ATOM 337 N ASP A 24 -3.612 -4.136 -8.405 1.00 0.00 N ATOM 338 CA ASP A 24 -3.189 -2.728 -8.600 1.00 0.00 C ATOM 339 C ASP A 24 -4.312 -1.934 -9.267 1.00 0.00 C ATOM 340 O ASP A 24 -4.102 -1.260 -10.254 1.00 0.00 O ATOM 341 CB ASP A 24 -1.965 -2.802 -9.510 1.00 0.00 C ATOM 342 CG ASP A 24 -0.903 -1.817 -9.019 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.242 -0.958 -8.222 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.233 -1.938 -9.450 1.00 0.00 O ATOM 0 H ASP A 24 -4.415 -4.428 -8.962 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.961 -2.228 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.562 -3.815 -9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.247 -2.567 -10.536 1.00 0.00 H new ATOM 349 N GLU A 25 -5.505 -2.001 -8.736 1.00 0.00 N ATOM 350 CA GLU A 25 -6.626 -1.231 -9.346 1.00 0.00 C ATOM 351 C GLU A 25 -6.170 0.211 -9.554 1.00 0.00 C ATOM 352 O GLU A 25 -5.680 0.849 -8.644 1.00 0.00 O ATOM 353 CB GLU A 25 -7.763 -1.299 -8.326 1.00 0.00 C ATOM 354 CG GLU A 25 -9.072 -1.633 -9.043 1.00 0.00 C ATOM 355 CD GLU A 25 -8.938 -2.985 -9.747 1.00 0.00 C ATOM 356 OE1 GLU A 25 -8.312 -3.865 -9.181 1.00 0.00 O ATOM 357 OE2 GLU A 25 -9.466 -3.117 -10.839 1.00 0.00 O ATOM 0 H GLU A 25 -5.749 -2.551 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.942 -1.625 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.545 -2.056 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.855 -0.347 -7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.893 -1.664 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.310 -0.855 -9.769 1.00 0.00 H new ATOM 364 N GLY A 26 -6.294 0.729 -10.744 1.00 0.00 N ATOM 365 CA GLY A 26 -5.824 2.121 -10.977 1.00 0.00 C ATOM 366 C GLY A 26 -4.374 2.211 -10.501 1.00 0.00 C ATOM 367 O GLY A 26 -3.868 3.271 -10.187 1.00 0.00 O ATOM 0 H GLY A 26 -6.695 0.256 -11.554 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.895 2.376 -12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.449 2.831 -10.435 1.00 0.00 H new ATOM 371 N GLY A 27 -3.708 1.087 -10.445 1.00 0.00 N ATOM 372 CA GLY A 27 -2.295 1.057 -9.993 1.00 0.00 C ATOM 373 C GLY A 27 -2.188 1.621 -8.576 1.00 0.00 C ATOM 374 O GLY A 27 -1.580 2.651 -8.360 1.00 0.00 O ATOM 0 H GLY A 27 -4.094 0.177 -10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.919 0.034 -10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.674 1.640 -10.673 1.00 0.00 H new ATOM 378 N TRP A 28 -2.775 0.971 -7.600 1.00 0.00 N ATOM 379 CA TRP A 28 -2.690 1.507 -6.225 1.00 0.00 C ATOM 380 C TRP A 28 -1.474 0.958 -5.484 1.00 0.00 C ATOM 381 O TRP A 28 -0.972 1.586 -4.575 1.00 0.00 O ATOM 382 CB TRP A 28 -3.993 1.100 -5.536 1.00 0.00 C ATOM 383 CG TRP A 28 -4.204 -0.381 -5.491 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.200 -1.034 -6.125 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.479 -1.387 -4.745 1.00 0.00 C ATOM 386 NE1 TRP A 28 -5.126 -2.380 -5.818 1.00 0.00 N ATOM 387 CE2 TRP A 28 -4.082 -2.645 -4.973 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.372 -1.340 -3.906 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.597 -3.802 -4.381 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.888 -2.486 -3.315 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.492 -3.721 -3.541 1.00 0.00 C ATOM 0 H TRP A 28 -3.301 0.103 -7.703 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.566 2.590 -6.232 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.995 1.491 -4.518 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.831 1.563 -6.057 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.937 -0.578 -6.769 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.768 -3.087 -6.176 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.886 -0.395 -3.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.072 -4.753 -4.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.027 -2.426 -2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.104 -4.610 -3.066 1.00 0.00 H new ATOM 402 N LEU A 29 -0.980 -0.193 -5.852 1.00 0.00 N ATOM 403 CA LEU A 29 0.209 -0.729 -5.136 1.00 0.00 C ATOM 404 C LEU A 29 1.227 0.395 -4.926 1.00 0.00 C ATOM 405 O LEU A 29 2.020 0.364 -4.007 1.00 0.00 O ATOM 406 CB LEU A 29 0.753 -1.841 -6.033 1.00 0.00 C ATOM 407 CG LEU A 29 0.471 -3.194 -5.370 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.109 -4.324 -6.176 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.057 -3.202 -3.959 1.00 0.00 C ATOM 0 H LEU A 29 -1.342 -0.777 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.027 -1.119 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.283 -1.797 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.824 -1.712 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.608 -3.345 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.900 -5.278 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.696 -4.330 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.187 -4.171 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.857 -4.164 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.134 -3.041 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.599 -2.407 -3.370 1.00 0.00 H new ATOM 421 N THR A 30 1.186 1.408 -5.755 1.00 0.00 N ATOM 422 CA THR A 30 2.121 2.555 -5.587 1.00 0.00 C ATOM 423 C THR A 30 1.393 3.728 -4.907 1.00 0.00 C ATOM 424 O THR A 30 1.992 4.518 -4.205 1.00 0.00 O ATOM 425 CB THR A 30 2.543 2.932 -7.008 1.00 0.00 C ATOM 426 OG1 THR A 30 3.211 1.832 -7.610 1.00 0.00 O ATOM 427 CG2 THR A 30 3.484 4.138 -6.963 1.00 0.00 C ATOM 0 H THR A 30 0.542 1.487 -6.542 1.00 0.00 H new ATOM 0 HA THR A 30 2.979 2.307 -4.963 1.00 0.00 H new ATOM 0 HB THR A 30 1.659 3.186 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.480 2.072 -8.521 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.783 4.404 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.971 4.982 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.369 3.887 -6.378 1.00 0.00 H new ATOM 435 N ARG A 31 0.103 3.844 -5.114 1.00 0.00 N ATOM 436 CA ARG A 31 -0.668 4.964 -4.484 1.00 0.00 C ATOM 437 C ARG A 31 -1.418 4.469 -3.242 1.00 0.00 C ATOM 438 O ARG A 31 -1.398 5.110 -2.210 1.00 0.00 O ATOM 439 CB ARG A 31 -1.654 5.419 -5.561 1.00 0.00 C ATOM 440 CG ARG A 31 -2.175 6.815 -5.218 1.00 0.00 C ATOM 441 CD ARG A 31 -1.416 7.858 -6.041 1.00 0.00 C ATOM 442 NE ARG A 31 -2.370 8.276 -7.103 1.00 0.00 N ATOM 443 CZ ARG A 31 -2.146 7.951 -8.347 1.00 0.00 C ATOM 444 NH1 ARG A 31 -2.361 6.729 -8.751 1.00 0.00 N ATOM 445 NH2 ARG A 31 -1.704 8.848 -9.186 1.00 0.00 N ATOM 0 H ARG A 31 -0.450 3.211 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.018 5.775 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.165 5.431 -6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.484 4.716 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.243 6.878 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.046 7.012 -4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.115 8.705 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.507 7.437 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.200 8.817 -6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.704 6.028 -8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.186 6.475 -9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.534 9.803 -8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.529 8.594 -10.158 1.00 0.00 H new ATOM 459 N LEU A 32 -2.071 3.332 -3.341 1.00 0.00 N ATOM 460 CA LEU A 32 -2.822 2.760 -2.171 1.00 0.00 C ATOM 461 C LEU A 32 -2.119 3.153 -0.868 1.00 0.00 C ATOM 462 O LEU A 32 -2.652 3.880 -0.053 1.00 0.00 O ATOM 463 CB LEU A 32 -2.732 1.256 -2.395 1.00 0.00 C ATOM 464 CG LEU A 32 -3.999 0.521 -1.932 1.00 0.00 C ATOM 465 CD1 LEU A 32 -3.612 -0.876 -1.448 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.679 1.265 -0.788 1.00 0.00 C ATOM 0 H LEU A 32 -2.117 2.770 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.850 3.114 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.566 1.058 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.869 0.862 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.692 0.464 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.505 -1.407 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.144 -1.427 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.911 -0.792 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.573 0.722 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.993 1.341 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.958 2.265 -1.120 1.00 0.00 H new ATOM 478 N LEU A 33 -0.901 2.710 -0.695 1.00 0.00 N ATOM 479 CA LEU A 33 -0.128 3.090 0.520 1.00 0.00 C ATOM 480 C LEU A 33 -0.249 4.600 0.711 1.00 0.00 C ATOM 481 O LEU A 33 -0.697 5.086 1.730 1.00 0.00 O ATOM 482 CB LEU A 33 1.318 2.724 0.174 1.00 0.00 C ATOM 483 CG LEU A 33 1.815 1.606 1.090 1.00 0.00 C ATOM 484 CD1 LEU A 33 2.108 0.357 0.263 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.100 2.062 1.781 1.00 0.00 C ATOM 0 H LEU A 33 -0.408 2.099 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.472 2.599 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.381 2.406 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.957 3.601 0.279 1.00 0.00 H new ATOM 0 HG LEU A 33 1.052 1.378 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.462 -0.439 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.198 0.033 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.874 0.583 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.461 1.270 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.858 2.285 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.899 2.957 2.370 1.00 0.00 H new ATOM 497 N GLN A 34 0.150 5.338 -0.285 1.00 0.00 N ATOM 498 CA GLN A 34 0.078 6.811 -0.222 1.00 0.00 C ATOM 499 C GLN A 34 -1.359 7.281 0.043 1.00 0.00 C ATOM 500 O GLN A 34 -1.581 8.271 0.710 1.00 0.00 O ATOM 501 CB GLN A 34 0.544 7.248 -1.607 1.00 0.00 C ATOM 502 CG GLN A 34 2.065 7.410 -1.607 1.00 0.00 C ATOM 503 CD GLN A 34 2.457 8.567 -2.528 1.00 0.00 C ATOM 504 OE1 GLN A 34 2.646 9.681 -2.078 1.00 0.00 O ATOM 505 NE2 GLN A 34 2.590 8.350 -3.808 1.00 0.00 N ATOM 0 H GLN A 34 0.530 4.968 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 34 0.680 7.231 0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.246 6.510 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.068 8.189 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.421 7.601 -0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.539 6.488 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.432 7.416 -4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.852 9.114 -4.430 1.00 0.00 H new ATOM 514 N THR A 35 -2.338 6.589 -0.484 1.00 0.00 N ATOM 515 CA THR A 35 -3.747 7.016 -0.266 1.00 0.00 C ATOM 516 C THR A 35 -4.097 7.027 1.225 1.00 0.00 C ATOM 517 O THR A 35 -4.347 8.065 1.803 1.00 0.00 O ATOM 518 CB THR A 35 -4.601 5.993 -1.007 1.00 0.00 C ATOM 519 OG1 THR A 35 -3.761 5.098 -1.720 1.00 0.00 O ATOM 520 CG2 THR A 35 -5.527 6.713 -1.988 1.00 0.00 C ATOM 0 H THR A 35 -2.220 5.751 -1.053 1.00 0.00 H new ATOM 0 HA THR A 35 -3.916 8.030 -0.630 1.00 0.00 H new ATOM 0 HB THR A 35 -5.199 5.434 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.050 5.053 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.137 5.981 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.175 7.398 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.930 7.275 -2.706 1.00 0.00 H new ATOM 528 N LYS A 36 -4.129 5.882 1.853 1.00 0.00 N ATOM 529 CA LYS A 36 -4.476 5.841 3.303 1.00 0.00 C ATOM 530 C LYS A 36 -3.206 5.807 4.161 1.00 0.00 C ATOM 531 O LYS A 36 -3.165 5.188 5.205 1.00 0.00 O ATOM 532 CB LYS A 36 -5.286 4.556 3.478 1.00 0.00 C ATOM 533 CG LYS A 36 -6.725 4.792 3.015 1.00 0.00 C ATOM 534 CD LYS A 36 -6.923 4.182 1.625 1.00 0.00 C ATOM 535 CE LYS A 36 -8.214 3.361 1.608 1.00 0.00 C ATOM 536 NZ LYS A 36 -9.291 4.328 1.960 1.00 0.00 N ATOM 0 H LYS A 36 -3.931 4.977 1.427 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.036 6.722 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.835 3.748 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.275 4.246 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.423 4.345 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.939 5.861 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.971 4.970 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.073 3.549 1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.387 2.918 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.170 2.541 2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.171 4.058 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.444 4.318 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.011 5.284 1.661 1.00 0.00 H new ATOM 550 N ASN A 37 -2.176 6.483 3.734 1.00 0.00 N ATOM 551 CA ASN A 37 -0.913 6.512 4.523 1.00 0.00 C ATOM 552 C ASN A 37 -0.423 5.094 4.841 1.00 0.00 C ATOM 553 O ASN A 37 -0.565 4.609 5.946 1.00 0.00 O ATOM 554 CB ASN A 37 -1.284 7.254 5.803 1.00 0.00 C ATOM 555 CG ASN A 37 -0.067 7.331 6.726 1.00 0.00 C ATOM 556 OD1 ASN A 37 0.215 6.403 7.459 1.00 0.00 O ATOM 557 ND2 ASN A 37 0.675 8.406 6.723 1.00 0.00 N ATOM 0 H ASN A 37 -2.155 7.020 2.867 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.101 6.994 3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.635 8.258 5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.103 6.741 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.489 8.466 7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.440 9.186 6.109 1.00 0.00 H new ATOM 564 N TYR A 38 0.174 4.435 3.884 1.00 0.00 N ATOM 565 CA TYR A 38 0.697 3.059 4.130 1.00 0.00 C ATOM 566 C TYR A 38 -0.314 2.242 4.933 1.00 0.00 C ATOM 567 O TYR A 38 0.029 1.534 5.858 1.00 0.00 O ATOM 568 CB TYR A 38 1.981 3.271 4.926 1.00 0.00 C ATOM 569 CG TYR A 38 2.797 4.367 4.280 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.621 4.661 2.923 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.725 5.093 5.036 1.00 0.00 C ATOM 572 CE1 TYR A 38 3.364 5.676 2.324 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.473 6.111 4.433 1.00 0.00 C ATOM 574 CZ TYR A 38 4.292 6.404 3.077 1.00 0.00 C ATOM 575 OH TYR A 38 5.027 7.412 2.486 1.00 0.00 O ATOM 0 H TYR A 38 0.323 4.791 2.940 1.00 0.00 H new ATOM 0 HA TYR A 38 0.875 2.508 3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.744 3.538 5.956 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.557 2.346 4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.907 4.099 2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.864 4.868 6.083 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.224 5.901 1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.190 6.671 5.015 1.00 0.00 H new ATOM 0 HH TYR A 38 5.623 7.815 3.151 1.00 0.00 H new ATOM 585 N ASP A 39 -1.560 2.340 4.576 1.00 0.00 N ATOM 586 CA ASP A 39 -2.619 1.576 5.302 1.00 0.00 C ATOM 587 C ASP A 39 -2.691 0.136 4.794 1.00 0.00 C ATOM 588 O ASP A 39 -3.672 -0.546 5.004 1.00 0.00 O ATOM 589 CB ASP A 39 -3.916 2.314 4.977 1.00 0.00 C ATOM 590 CG ASP A 39 -4.725 2.517 6.259 1.00 0.00 C ATOM 591 OD1 ASP A 39 -4.115 2.740 7.293 1.00 0.00 O ATOM 592 OD2 ASP A 39 -5.941 2.447 6.187 1.00 0.00 O ATOM 0 H ASP A 39 -1.898 2.919 3.807 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.424 1.521 6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.693 3.278 4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.499 1.744 4.253 1.00 0.00 H new ATOM 597 N ILE A 40 -1.673 -0.344 4.125 1.00 0.00 N ATOM 598 CA ILE A 40 -1.741 -1.744 3.621 1.00 0.00 C ATOM 599 C ILE A 40 -2.255 -2.668 4.717 1.00 0.00 C ATOM 600 O ILE A 40 -2.807 -3.704 4.442 1.00 0.00 O ATOM 601 CB ILE A 40 -0.326 -2.141 3.203 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.702 -1.534 4.154 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.060 -1.651 1.782 1.00 0.00 C ATOM 604 CD1 ILE A 40 2.017 -2.303 4.009 1.00 0.00 C ATOM 0 H ILE A 40 -0.815 0.163 3.910 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.424 -1.823 2.776 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.239 -3.227 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.853 -0.479 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.344 -1.588 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.949 -1.934 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.781 -2.103 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.158 -0.566 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.762 -1.880 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.855 -3.351 4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.372 -2.226 2.981 1.00 0.00 H new ATOM 616 N GLY A 41 -2.105 -2.301 5.957 1.00 0.00 N ATOM 617 CA GLY A 41 -2.634 -3.179 7.036 1.00 0.00 C ATOM 618 C GLY A 41 -4.155 -3.147 6.939 1.00 0.00 C ATOM 619 O GLY A 41 -4.792 -4.129 6.615 1.00 0.00 O ATOM 0 H GLY A 41 -1.646 -1.445 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.263 -4.197 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.303 -2.829 8.014 1.00 0.00 H new ATOM 623 N ALA A 42 -4.736 -2.007 7.179 1.00 0.00 N ATOM 624 CA ALA A 42 -6.207 -1.879 7.059 1.00 0.00 C ATOM 625 C ALA A 42 -6.589 -2.131 5.610 1.00 0.00 C ATOM 626 O ALA A 42 -7.640 -2.664 5.313 1.00 0.00 O ATOM 627 CB ALA A 42 -6.499 -0.432 7.462 1.00 0.00 C ATOM 0 H ALA A 42 -4.249 -1.154 7.455 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.766 -2.582 7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.572 -0.247 7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.158 -0.263 8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.976 0.246 6.788 1.00 0.00 H new ATOM 633 N ALA A 43 -5.724 -1.779 4.703 1.00 0.00 N ATOM 634 CA ALA A 43 -6.017 -2.030 3.276 1.00 0.00 C ATOM 635 C ALA A 43 -5.904 -3.527 3.022 1.00 0.00 C ATOM 636 O ALA A 43 -6.643 -4.083 2.246 1.00 0.00 O ATOM 637 CB ALA A 43 -4.951 -1.264 2.493 1.00 0.00 C ATOM 0 H ALA A 43 -4.829 -1.329 4.892 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.016 -1.708 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.111 -1.408 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.018 -0.202 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.963 -1.635 2.765 1.00 0.00 H new ATOM 643 N LEU A 44 -4.990 -4.191 3.687 1.00 0.00 N ATOM 644 CA LEU A 44 -4.850 -5.661 3.485 1.00 0.00 C ATOM 645 C LEU A 44 -6.234 -6.285 3.415 1.00 0.00 C ATOM 646 O LEU A 44 -6.452 -7.280 2.758 1.00 0.00 O ATOM 647 CB LEU A 44 -4.097 -6.175 4.704 1.00 0.00 C ATOM 648 CG LEU A 44 -2.938 -7.070 4.261 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.499 -8.365 3.677 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.099 -6.356 3.195 1.00 0.00 C ATOM 0 H LEU A 44 -4.340 -3.779 4.356 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.322 -5.907 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.718 -5.337 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.773 -6.734 5.351 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.307 -7.292 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.677 -9.007 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.090 -8.880 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.131 -8.134 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.277 -7.002 2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.725 -6.128 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.698 -5.430 3.607 1.00 0.00 H new ATOM 662 N ASP A 45 -7.175 -5.685 4.077 1.00 0.00 N ATOM 663 CA ASP A 45 -8.551 -6.221 4.041 1.00 0.00 C ATOM 664 C ASP A 45 -9.149 -5.942 2.665 1.00 0.00 C ATOM 665 O ASP A 45 -9.793 -6.782 2.066 1.00 0.00 O ATOM 666 CB ASP A 45 -9.278 -5.488 5.193 1.00 0.00 C ATOM 667 CG ASP A 45 -10.467 -4.673 4.666 1.00 0.00 C ATOM 668 OD1 ASP A 45 -10.254 -3.539 4.270 1.00 0.00 O ATOM 669 OD2 ASP A 45 -11.567 -5.200 4.668 1.00 0.00 O ATOM 0 H ASP A 45 -7.048 -4.845 4.642 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.625 -7.299 4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.628 -6.214 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.579 -4.827 5.706 1.00 0.00 H new ATOM 674 N THR A 46 -8.901 -4.784 2.150 1.00 0.00 N ATOM 675 CA THR A 46 -9.401 -4.445 0.802 1.00 0.00 C ATOM 676 C THR A 46 -8.410 -4.971 -0.235 1.00 0.00 C ATOM 677 O THR A 46 -8.773 -5.309 -1.342 1.00 0.00 O ATOM 678 CB THR A 46 -9.495 -2.908 0.764 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.518 -2.525 -0.143 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.159 -2.293 0.311 1.00 0.00 C ATOM 0 H THR A 46 -8.366 -4.047 2.610 1.00 0.00 H new ATOM 0 HA THR A 46 -10.372 -4.890 0.583 1.00 0.00 H new ATOM 0 HB THR A 46 -9.725 -2.546 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.583 -1.547 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.247 -1.207 0.291 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.371 -2.581 1.007 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.911 -2.655 -0.687 1.00 0.00 H new ATOM 688 N ILE A 47 -7.153 -5.035 0.123 1.00 0.00 N ATOM 689 CA ILE A 47 -6.131 -5.527 -0.813 1.00 0.00 C ATOM 690 C ILE A 47 -6.140 -7.056 -0.852 1.00 0.00 C ATOM 691 O ILE A 47 -5.741 -7.658 -1.827 1.00 0.00 O ATOM 692 CB ILE A 47 -4.846 -4.946 -0.252 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.018 -3.432 -0.126 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.680 -5.225 -1.190 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.814 -2.879 -1.318 1.00 0.00 C ATOM 0 H ILE A 47 -6.799 -4.761 1.039 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.285 -5.228 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.639 -5.401 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.534 -3.195 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.041 -2.952 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.767 -4.801 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.559 -6.302 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.878 -4.772 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.927 -1.800 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.282 -3.099 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.799 -3.346 -1.346 1.00 0.00 H new ATOM 707 N GLN A 48 -6.626 -7.715 0.174 1.00 0.00 N ATOM 708 CA GLN A 48 -6.680 -9.191 0.095 1.00 0.00 C ATOM 709 C GLN A 48 -8.097 -9.614 -0.287 1.00 0.00 C ATOM 710 O GLN A 48 -8.371 -10.776 -0.514 1.00 0.00 O ATOM 711 CB GLN A 48 -6.276 -9.730 1.456 1.00 0.00 C ATOM 712 CG GLN A 48 -5.522 -11.051 1.260 1.00 0.00 C ATOM 713 CD GLN A 48 -4.010 -10.809 1.345 1.00 0.00 C ATOM 714 OE1 GLN A 48 -3.471 -10.675 2.423 1.00 0.00 O ATOM 715 NE2 GLN A 48 -3.291 -10.759 0.249 1.00 0.00 N ATOM 0 H GLN A 48 -6.977 -7.299 1.037 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.003 -9.587 -0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.645 -9.009 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.158 -9.887 2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.827 -11.770 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.776 -11.484 0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.739 -10.871 -0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.284 -10.608 0.306 1.00 0.00 H new ATOM 724 N TYR A 49 -8.990 -8.659 -0.400 1.00 0.00 N ATOM 725 CA TYR A 49 -10.385 -8.971 -0.808 1.00 0.00 C ATOM 726 C TYR A 49 -10.849 -10.294 -0.192 1.00 0.00 C ATOM 727 O TYR A 49 -11.079 -11.266 -0.882 1.00 0.00 O ATOM 728 CB TYR A 49 -10.301 -9.072 -2.330 1.00 0.00 C ATOM 729 CG TYR A 49 -9.620 -7.835 -2.883 1.00 0.00 C ATOM 730 CD1 TYR A 49 -8.233 -7.672 -2.746 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.377 -6.850 -3.529 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.605 -6.526 -3.257 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.750 -5.706 -4.039 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.365 -5.544 -3.903 1.00 0.00 C ATOM 735 OH TYR A 49 -7.750 -4.415 -4.406 1.00 0.00 O ATOM 0 H TYR A 49 -8.805 -7.671 -0.224 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.103 -8.222 -0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.744 -9.965 -2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.300 -9.170 -2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.648 -8.430 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.445 -6.972 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.537 -6.402 -3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.335 -4.948 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.421 -3.836 -4.824 1.00 0.00 H new