USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=0.000725 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -179:sc= 0.49 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0028 X(o=-0.0028,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0.00755 USER MOD Single : A 57 ASN : amide:sc= -0.255 K(o=-0.25,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.195 5.685 -1.752 1.00 0.00 N ATOM 67 CA LYS A 8 0.069 5.416 -0.329 1.00 0.00 C ATOM 68 C LYS A 8 0.841 4.140 0.015 1.00 0.00 C ATOM 69 O LYS A 8 0.948 3.234 -0.810 1.00 0.00 O ATOM 70 CB LYS A 8 -1.405 5.372 0.079 1.00 0.00 C ATOM 71 CG LYS A 8 -1.571 5.688 1.567 1.00 0.00 C ATOM 72 CD LYS A 8 -2.311 4.559 2.288 1.00 0.00 C ATOM 73 CE LYS A 8 -2.854 5.033 3.638 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.957 3.899 4.582 1.00 0.00 N ATOM 0 HA LYS A 8 0.513 6.224 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.972 6.089 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.816 4.386 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.592 5.835 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.121 6.622 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.133 4.203 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.637 3.716 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.199 5.800 4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.834 5.491 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.327 4.238 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.600 3.181 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.016 3.480 4.725 1.00 0.00 H new ATOM 88 N TYR A 9 1.358 4.111 1.234 1.00 0.00 N ATOM 89 CA TYR A 9 2.117 2.962 1.697 1.00 0.00 C ATOM 90 C TYR A 9 1.819 2.664 3.168 1.00 0.00 C ATOM 91 O TYR A 9 1.374 3.543 3.905 1.00 0.00 O ATOM 92 CB TYR A 9 3.592 3.345 1.556 1.00 0.00 C ATOM 93 CG TYR A 9 4.095 3.358 0.111 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.547 2.192 -0.473 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.097 4.536 -0.608 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.021 2.204 -1.833 1.00 0.00 C ATOM 97 CE2 TYR A 9 4.571 4.548 -1.968 1.00 0.00 C ATOM 98 CZ TYR A 9 5.010 3.381 -2.513 1.00 0.00 C ATOM 99 OH TYR A 9 5.457 3.393 -3.797 1.00 0.00 O ATOM 0 H TYR A 9 1.266 4.865 1.915 1.00 0.00 H new ATOM 0 HA TYR A 9 1.858 2.074 1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.744 4.332 1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.196 2.645 2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.545 1.270 0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.743 5.448 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.377 1.299 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.578 5.463 -2.542 1.00 0.00 H new ATOM 0 HH TYR A 9 5.390 4.302 -4.158 1.00 0.00 H new ATOM 109 N VAL A 10 2.076 1.422 3.552 1.00 0.00 N ATOM 110 CA VAL A 10 1.840 0.998 4.921 1.00 0.00 C ATOM 111 C VAL A 10 3.149 0.481 5.522 1.00 0.00 C ATOM 112 O VAL A 10 3.921 -0.197 4.847 1.00 0.00 O ATOM 113 CB VAL A 10 0.714 -0.036 4.962 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.168 -1.366 4.357 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.200 -0.231 6.390 1.00 0.00 C ATOM 0 H VAL A 10 2.445 0.696 2.938 1.00 0.00 H new ATOM 0 HA VAL A 10 1.512 1.840 5.531 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.110 0.343 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.348 -2.083 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.463 -1.212 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.017 -1.752 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.600 -0.971 6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.015 -0.577 7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.181 0.716 6.772 1.00 0.00 H new ATOM 125 N LYS A 11 3.358 0.822 6.786 1.00 0.00 N ATOM 126 CA LYS A 11 4.559 0.401 7.486 1.00 0.00 C ATOM 127 C LYS A 11 4.208 -0.725 8.461 1.00 0.00 C ATOM 128 O LYS A 11 3.632 -0.477 9.519 1.00 0.00 O ATOM 129 CB LYS A 11 5.241 1.599 8.149 1.00 0.00 C ATOM 130 CG LYS A 11 6.703 1.288 8.474 1.00 0.00 C ATOM 131 CD LYS A 11 7.073 1.788 9.872 1.00 0.00 C ATOM 132 CE LYS A 11 8.274 1.022 10.428 1.00 0.00 C ATOM 133 NZ LYS A 11 9.136 1.919 11.230 1.00 0.00 N ATOM 0 H LYS A 11 2.715 1.385 7.343 1.00 0.00 H new ATOM 0 HA LYS A 11 5.288 -0.002 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.188 2.464 7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.710 1.864 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.872 0.213 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.351 1.756 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.303 2.853 9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.221 1.671 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.929 0.192 11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.850 0.592 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.947 1.382 11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.480 2.697 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.588 2.309 12.023 1.00 0.00 H new ATOM 147 N ILE A 12 4.571 -1.938 8.070 1.00 0.00 N ATOM 148 CA ILE A 12 4.302 -3.102 8.896 1.00 0.00 C ATOM 149 C ILE A 12 4.655 -2.783 10.350 1.00 0.00 C ATOM 150 O ILE A 12 5.617 -2.065 10.615 1.00 0.00 O ATOM 151 CB ILE A 12 5.026 -4.331 8.343 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.597 -4.618 6.902 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.823 -5.543 9.254 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.075 -4.723 6.794 1.00 0.00 C ATOM 0 H ILE A 12 5.049 -2.139 7.192 1.00 0.00 H new ATOM 0 HA ILE A 12 3.241 -3.349 8.872 1.00 0.00 H new ATOM 0 HB ILE A 12 6.095 -4.118 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.958 -3.825 6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.054 -5.547 6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.348 -6.403 8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.217 -5.323 10.246 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.759 -5.768 9.328 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.797 -4.927 5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.720 -5.532 7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.622 -3.784 7.113 1.00 0.00 H new ATOM 166 N LEU A 13 3.857 -3.332 11.254 1.00 0.00 N ATOM 167 CA LEU A 13 4.073 -3.115 12.674 1.00 0.00 C ATOM 168 C LEU A 13 4.586 -4.408 13.311 1.00 0.00 C ATOM 169 O LEU A 13 5.453 -4.373 14.183 1.00 0.00 O ATOM 170 CB LEU A 13 2.805 -2.567 13.332 1.00 0.00 C ATOM 171 CG LEU A 13 2.248 -1.271 12.739 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.991 -0.822 13.486 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.318 -0.179 12.708 1.00 0.00 C ATOM 0 H LEU A 13 3.059 -3.927 11.030 1.00 0.00 H new ATOM 0 HA LEU A 13 4.839 -2.356 12.830 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.030 -3.332 13.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.011 -2.400 14.389 1.00 0.00 H new ATOM 0 HG LEU A 13 1.956 -1.465 11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.616 0.101 13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.228 -1.596 13.412 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.233 -0.650 14.535 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.896 0.732 12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.663 0.021 13.722 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.158 -0.510 12.097 1.00 0.00 H new ATOM 185 N TYR A 14 4.030 -5.519 12.850 1.00 0.00 N ATOM 186 CA TYR A 14 4.421 -6.820 13.364 1.00 0.00 C ATOM 187 C TYR A 14 4.787 -7.773 12.224 1.00 0.00 C ATOM 188 O TYR A 14 4.110 -7.807 11.197 1.00 0.00 O ATOM 189 CB TYR A 14 3.196 -7.370 14.097 1.00 0.00 C ATOM 190 CG TYR A 14 2.694 -6.471 15.230 1.00 0.00 C ATOM 191 CD1 TYR A 14 1.757 -5.491 14.970 1.00 0.00 C ATOM 192 CD2 TYR A 14 3.178 -6.641 16.511 1.00 0.00 C ATOM 193 CE1 TYR A 14 1.285 -4.646 16.035 1.00 0.00 C ATOM 194 CE2 TYR A 14 2.706 -5.795 17.577 1.00 0.00 C ATOM 195 CZ TYR A 14 1.782 -4.840 17.286 1.00 0.00 C ATOM 196 OH TYR A 14 1.336 -4.041 18.293 1.00 0.00 O ATOM 0 H TYR A 14 3.312 -5.545 12.126 1.00 0.00 H new ATOM 0 HA TYR A 14 5.292 -6.729 14.013 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.390 -7.516 13.378 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.440 -8.351 14.506 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.378 -5.358 13.967 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.911 -7.408 16.714 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.553 -3.875 15.845 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.077 -5.916 18.584 1.00 0.00 H new ATOM 0 HH TYR A 14 1.777 -4.294 19.131 1.00 0.00 H new ATOM 206 N ASP A 15 5.857 -8.522 12.442 1.00 0.00 N ATOM 207 CA ASP A 15 6.321 -9.472 11.445 1.00 0.00 C ATOM 208 C ASP A 15 5.240 -10.529 11.211 1.00 0.00 C ATOM 209 O ASP A 15 4.999 -11.377 12.069 1.00 0.00 O ATOM 210 CB ASP A 15 7.588 -10.189 11.916 1.00 0.00 C ATOM 211 CG ASP A 15 8.559 -9.325 12.722 1.00 0.00 C ATOM 212 OD1 ASP A 15 8.222 -9.030 13.889 1.00 0.00 O ATOM 213 OD2 ASP A 15 9.617 -8.977 12.153 1.00 0.00 O ATOM 0 H ASP A 15 6.416 -8.491 13.294 1.00 0.00 H new ATOM 0 HA ASP A 15 6.536 -8.921 10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.298 -11.046 12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.112 -10.580 11.044 1.00 0.00 H new ATOM 218 N PHE A 16 4.616 -10.443 10.046 1.00 0.00 N ATOM 219 CA PHE A 16 3.565 -11.381 9.688 1.00 0.00 C ATOM 220 C PHE A 16 4.038 -12.343 8.597 1.00 0.00 C ATOM 221 O PHE A 16 4.676 -11.927 7.631 1.00 0.00 O ATOM 222 CB PHE A 16 2.393 -10.556 9.152 1.00 0.00 C ATOM 223 CG PHE A 16 1.132 -11.377 8.871 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.249 -11.631 9.874 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.895 -11.851 7.619 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.921 -12.392 9.613 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.275 -12.613 7.359 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.158 -12.867 8.361 1.00 0.00 C ATOM 0 H PHE A 16 4.818 -9.738 9.337 1.00 0.00 H new ATOM 0 HA PHE A 16 3.281 -11.973 10.558 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.152 -9.774 9.873 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.702 -10.058 8.233 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.438 -11.254 10.868 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.596 -11.648 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.623 -12.594 10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.463 -12.991 6.365 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.048 -13.446 8.163 1.00 0.00 H new ATOM 238 N THR A 17 3.707 -13.612 8.787 1.00 0.00 N ATOM 239 CA THR A 17 4.089 -14.637 7.831 1.00 0.00 C ATOM 240 C THR A 17 2.851 -15.202 7.131 1.00 0.00 C ATOM 241 O THR A 17 1.899 -15.619 7.788 1.00 0.00 O ATOM 242 CB THR A 17 4.904 -15.697 8.575 1.00 0.00 C ATOM 243 OG1 THR A 17 6.132 -15.041 8.879 1.00 0.00 O ATOM 244 CG2 THR A 17 5.317 -16.860 7.670 1.00 0.00 C ATOM 0 H THR A 17 3.178 -13.954 9.590 1.00 0.00 H new ATOM 0 HA THR A 17 4.712 -14.225 7.037 1.00 0.00 H new ATOM 0 HB THR A 17 4.322 -16.079 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.720 -15.657 9.364 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.893 -17.584 8.247 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.426 -17.343 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.927 -16.483 6.849 1.00 0.00 H new ATOM 252 N ALA A 18 2.906 -15.199 5.808 1.00 0.00 N ATOM 253 CA ALA A 18 1.801 -15.706 5.012 1.00 0.00 C ATOM 254 C ALA A 18 1.539 -17.167 5.383 1.00 0.00 C ATOM 255 O ALA A 18 2.373 -18.035 5.129 1.00 0.00 O ATOM 256 CB ALA A 18 2.120 -15.531 3.525 1.00 0.00 C ATOM 0 H ALA A 18 3.698 -14.854 5.267 1.00 0.00 H new ATOM 0 HA ALA A 18 0.890 -15.144 5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.291 -15.911 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.269 -14.474 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.027 -16.083 3.280 1.00 0.00 H new ATOM 324 N GLU A 23 -2.399 -14.560 1.414 1.00 0.00 N ATOM 325 CA GLU A 23 -1.672 -13.863 2.461 1.00 0.00 C ATOM 326 C GLU A 23 -0.271 -13.489 1.975 1.00 0.00 C ATOM 327 O GLU A 23 0.324 -14.206 1.172 1.00 0.00 O ATOM 328 CB GLU A 23 -1.603 -14.707 3.736 1.00 0.00 C ATOM 329 CG GLU A 23 -3.005 -15.018 4.263 1.00 0.00 C ATOM 330 CD GLU A 23 -2.941 -15.607 5.674 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.180 -16.583 5.848 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.656 -15.068 6.547 1.00 0.00 O ATOM 0 HA GLU A 23 -2.209 -12.945 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.072 -15.637 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.034 -14.175 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.605 -14.108 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.502 -15.721 3.594 1.00 0.00 H new ATOM 339 N LEU A 24 0.216 -12.366 2.482 1.00 0.00 N ATOM 340 CA LEU A 24 1.537 -11.887 2.110 1.00 0.00 C ATOM 341 C LEU A 24 2.483 -12.032 3.303 1.00 0.00 C ATOM 342 O LEU A 24 2.050 -11.974 4.453 1.00 0.00 O ATOM 343 CB LEU A 24 1.455 -10.462 1.560 1.00 0.00 C ATOM 344 CG LEU A 24 2.647 -9.997 0.721 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.653 -10.678 -0.649 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.672 -8.472 0.602 1.00 0.00 C ATOM 0 H LEU A 24 -0.280 -11.774 3.148 1.00 0.00 H new ATOM 0 HA LEU A 24 1.948 -12.493 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.554 -10.380 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.337 -9.776 2.399 1.00 0.00 H new ATOM 0 HG LEU A 24 3.562 -10.296 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.510 -10.330 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.718 -11.758 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.734 -10.432 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.529 -8.168 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.754 -8.129 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.751 -8.031 1.596 1.00 0.00 H new ATOM 358 N SER A 25 3.756 -12.218 2.989 1.00 0.00 N ATOM 359 CA SER A 25 4.767 -12.372 4.022 1.00 0.00 C ATOM 360 C SER A 25 5.606 -11.097 4.127 1.00 0.00 C ATOM 361 O SER A 25 6.320 -10.740 3.192 1.00 0.00 O ATOM 362 CB SER A 25 5.666 -13.576 3.737 1.00 0.00 C ATOM 363 OG SER A 25 5.974 -13.698 2.351 1.00 0.00 O ATOM 0 H SER A 25 4.111 -12.266 2.034 1.00 0.00 H new ATOM 0 HA SER A 25 4.262 -12.546 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.591 -13.481 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.173 -14.486 4.080 1.00 0.00 H new ATOM 0 HG SER A 25 6.551 -14.478 2.212 1.00 0.00 H new ATOM 369 N VAL A 26 5.491 -10.444 5.275 1.00 0.00 N ATOM 370 CA VAL A 26 6.229 -9.216 5.514 1.00 0.00 C ATOM 371 C VAL A 26 6.973 -9.325 6.847 1.00 0.00 C ATOM 372 O VAL A 26 6.837 -10.319 7.558 1.00 0.00 O ATOM 373 CB VAL A 26 5.283 -8.015 5.455 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.633 -7.898 4.074 1.00 0.00 C ATOM 375 CG2 VAL A 26 4.222 -8.098 6.554 1.00 0.00 C ATOM 0 H VAL A 26 4.898 -10.743 6.049 1.00 0.00 H new ATOM 0 HA VAL A 26 6.976 -9.062 4.735 1.00 0.00 H new ATOM 0 HB VAL A 26 5.873 -7.115 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.965 -7.037 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.407 -7.771 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.063 -8.803 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.563 -7.232 6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.638 -9.009 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.709 -8.112 7.529 1.00 0.00 H new ATOM 385 N LEU A 27 7.743 -8.289 7.145 1.00 0.00 N ATOM 386 CA LEU A 27 8.508 -8.256 8.380 1.00 0.00 C ATOM 387 C LEU A 27 8.211 -6.952 9.124 1.00 0.00 C ATOM 388 O LEU A 27 7.436 -6.125 8.648 1.00 0.00 O ATOM 389 CB LEU A 27 9.995 -8.476 8.095 1.00 0.00 C ATOM 390 CG LEU A 27 10.446 -9.933 7.973 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.713 -10.046 7.123 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.623 -10.570 9.353 1.00 0.00 C ATOM 0 H LEU A 27 7.854 -7.466 6.553 1.00 0.00 H new ATOM 0 HA LEU A 27 8.208 -9.073 9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.247 -7.960 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.571 -8.004 8.891 1.00 0.00 H new ATOM 0 HG LEU A 27 9.663 -10.490 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.012 -11.092 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.517 -9.656 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.514 -9.470 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.944 -11.605 9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.376 -10.017 9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.675 -10.542 9.891 1.00 0.00 H new ATOM 404 N LYS A 28 8.844 -6.810 10.279 1.00 0.00 N ATOM 405 CA LYS A 28 8.658 -5.622 11.094 1.00 0.00 C ATOM 406 C LYS A 28 9.556 -4.501 10.566 1.00 0.00 C ATOM 407 O LYS A 28 10.678 -4.753 10.131 1.00 0.00 O ATOM 408 CB LYS A 28 8.882 -5.945 12.572 1.00 0.00 C ATOM 409 CG LYS A 28 8.654 -4.709 13.445 1.00 0.00 C ATOM 410 CD LYS A 28 9.617 -4.691 14.634 1.00 0.00 C ATOM 411 CE LYS A 28 8.890 -5.046 15.932 1.00 0.00 C ATOM 412 NZ LYS A 28 9.195 -4.052 16.986 1.00 0.00 N ATOM 0 H LYS A 28 9.487 -7.499 10.670 1.00 0.00 H new ATOM 0 HA LYS A 28 7.630 -5.268 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.205 -6.742 12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.897 -6.315 12.717 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.791 -3.808 12.848 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.625 -4.699 13.806 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.427 -5.399 14.461 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.070 -3.704 14.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.815 -5.080 15.756 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.190 -6.040 16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.693 -4.308 17.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.219 -4.039 17.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.887 -3.109 16.674 1.00 0.00 H new ATOM 426 N ASP A 29 9.027 -3.287 10.622 1.00 0.00 N ATOM 427 CA ASP A 29 9.767 -2.127 10.154 1.00 0.00 C ATOM 428 C ASP A 29 9.864 -2.170 8.628 1.00 0.00 C ATOM 429 O ASP A 29 10.806 -1.634 8.047 1.00 0.00 O ATOM 430 CB ASP A 29 11.189 -2.117 10.718 1.00 0.00 C ATOM 431 CG ASP A 29 11.534 -0.903 11.582 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.002 -0.841 12.712 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.322 -0.064 11.094 1.00 0.00 O ATOM 0 H ASP A 29 8.096 -3.082 10.984 1.00 0.00 H new ATOM 0 HA ASP A 29 9.240 -1.234 10.488 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.334 -3.020 11.312 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.893 -2.165 9.887 1.00 0.00 H new ATOM 438 N GLU A 30 8.876 -2.813 8.022 1.00 0.00 N ATOM 439 CA GLU A 30 8.838 -2.932 6.575 1.00 0.00 C ATOM 440 C GLU A 30 7.740 -2.037 5.997 1.00 0.00 C ATOM 441 O GLU A 30 6.838 -1.612 6.717 1.00 0.00 O ATOM 442 CB GLU A 30 8.638 -4.388 6.150 1.00 0.00 C ATOM 443 CG GLU A 30 9.978 -5.058 5.838 1.00 0.00 C ATOM 444 CD GLU A 30 9.775 -6.341 5.030 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.648 -6.518 4.519 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.751 -7.117 4.942 1.00 0.00 O ATOM 0 H GLU A 30 8.096 -3.257 8.507 1.00 0.00 H new ATOM 0 HA GLU A 30 9.797 -2.600 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.130 -4.936 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.994 -4.429 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.612 -4.369 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.499 -5.288 6.768 1.00 0.00 H new ATOM 453 N VAL A 31 7.854 -1.777 4.703 1.00 0.00 N ATOM 454 CA VAL A 31 6.882 -0.939 4.020 1.00 0.00 C ATOM 455 C VAL A 31 6.478 -1.605 2.703 1.00 0.00 C ATOM 456 O VAL A 31 7.314 -1.809 1.824 1.00 0.00 O ATOM 457 CB VAL A 31 7.448 0.469 3.829 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.477 1.347 3.036 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.791 1.110 5.175 1.00 0.00 C ATOM 0 H VAL A 31 8.604 -2.131 4.109 1.00 0.00 H new ATOM 0 HA VAL A 31 5.979 -0.833 4.621 1.00 0.00 H new ATOM 0 HB VAL A 31 8.370 0.384 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.903 2.343 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.304 0.904 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.531 1.420 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.191 2.110 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.891 1.176 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.535 0.501 5.689 1.00 0.00 H new ATOM 469 N LEU A 32 5.195 -1.925 2.608 1.00 0.00 N ATOM 470 CA LEU A 32 4.670 -2.563 1.413 1.00 0.00 C ATOM 471 C LEU A 32 3.796 -1.567 0.650 1.00 0.00 C ATOM 472 O LEU A 32 3.503 -0.482 1.151 1.00 0.00 O ATOM 473 CB LEU A 32 3.949 -3.864 1.773 1.00 0.00 C ATOM 474 CG LEU A 32 4.827 -4.984 2.336 1.00 0.00 C ATOM 475 CD1 LEU A 32 6.074 -5.189 1.474 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.180 -4.719 3.801 1.00 0.00 C ATOM 0 H LEU A 32 4.504 -1.754 3.339 1.00 0.00 H new ATOM 0 HA LEU A 32 5.483 -2.850 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.173 -3.636 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.447 -4.237 0.880 1.00 0.00 H new ATOM 0 HG LEU A 32 4.258 -5.913 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.680 -5.990 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.776 -5.455 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.656 -4.268 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.804 -5.529 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.722 -3.777 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.265 -4.662 4.391 1.00 0.00 H new ATOM 488 N GLU A 33 3.403 -1.970 -0.550 1.00 0.00 N ATOM 489 CA GLU A 33 2.568 -1.125 -1.387 1.00 0.00 C ATOM 490 C GLU A 33 1.090 -1.459 -1.171 1.00 0.00 C ATOM 491 O GLU A 33 0.644 -2.557 -1.501 1.00 0.00 O ATOM 492 CB GLU A 33 2.952 -1.264 -2.861 1.00 0.00 C ATOM 493 CG GLU A 33 2.892 0.090 -3.573 1.00 0.00 C ATOM 494 CD GLU A 33 1.517 0.738 -3.404 1.00 0.00 C ATOM 495 OE1 GLU A 33 0.620 0.381 -4.197 1.00 0.00 O ATOM 496 OE2 GLU A 33 1.393 1.576 -2.484 1.00 0.00 O ATOM 0 H GLU A 33 3.647 -2.870 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 33 2.731 -0.086 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.958 -1.677 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.279 -1.967 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.661 0.750 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.108 -0.043 -4.633 1.00 0.00 H new ATOM 503 N VAL A 34 0.372 -0.493 -0.619 1.00 0.00 N ATOM 504 CA VAL A 34 -1.046 -0.670 -0.356 1.00 0.00 C ATOM 505 C VAL A 34 -1.837 -0.384 -1.633 1.00 0.00 C ATOM 506 O VAL A 34 -1.789 0.726 -2.162 1.00 0.00 O ATOM 507 CB VAL A 34 -1.473 0.208 0.822 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.320 1.692 0.483 1.00 0.00 C ATOM 509 CG2 VAL A 34 -2.906 -0.112 1.252 1.00 0.00 C ATOM 0 H VAL A 34 0.746 0.416 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.256 -1.700 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.814 -0.013 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.630 2.294 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.277 1.906 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.943 1.935 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.185 0.526 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.585 0.067 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.970 -1.157 1.554 1.00 0.00 H new ATOM 519 N LEU A 35 -2.547 -1.404 -2.093 1.00 0.00 N ATOM 520 CA LEU A 35 -3.348 -1.275 -3.298 1.00 0.00 C ATOM 521 C LEU A 35 -4.825 -1.165 -2.915 1.00 0.00 C ATOM 522 O LEU A 35 -5.533 -0.286 -3.404 1.00 0.00 O ATOM 523 CB LEU A 35 -3.047 -2.422 -4.266 1.00 0.00 C ATOM 524 CG LEU A 35 -1.663 -3.062 -4.139 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.619 -4.419 -4.843 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.573 -2.116 -4.648 1.00 0.00 C ATOM 0 H LEU A 35 -2.584 -2.323 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.089 -0.361 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.799 -3.198 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.162 -2.051 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.466 -3.242 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.624 -4.852 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.355 -5.086 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.847 -4.288 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.401 -2.595 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.755 -1.882 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.588 -1.196 -4.063 1.00 0.00 H new ATOM 538 N GLU A 36 -5.246 -2.070 -2.044 1.00 0.00 N ATOM 539 CA GLU A 36 -6.626 -2.086 -1.589 1.00 0.00 C ATOM 540 C GLU A 36 -6.706 -1.663 -0.121 1.00 0.00 C ATOM 541 O GLU A 36 -5.915 -2.117 0.704 1.00 0.00 O ATOM 542 CB GLU A 36 -7.257 -3.464 -1.798 1.00 0.00 C ATOM 543 CG GLU A 36 -8.328 -3.418 -2.889 1.00 0.00 C ATOM 544 CD GLU A 36 -9.439 -4.432 -2.610 1.00 0.00 C ATOM 545 OE1 GLU A 36 -9.803 -4.562 -1.422 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.899 -5.054 -3.592 1.00 0.00 O ATOM 0 H GLU A 36 -4.656 -2.798 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.192 -1.370 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.485 -4.183 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.699 -3.811 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.752 -2.415 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.875 -3.627 -3.858 1.00 0.00 H new ATOM 553 N ASP A 37 -7.669 -0.798 0.161 1.00 0.00 N ATOM 554 CA ASP A 37 -7.863 -0.308 1.515 1.00 0.00 C ATOM 555 C ASP A 37 -9.356 -0.078 1.761 1.00 0.00 C ATOM 556 O ASP A 37 -10.171 -0.245 0.854 1.00 0.00 O ATOM 557 CB ASP A 37 -7.138 1.022 1.729 1.00 0.00 C ATOM 558 CG ASP A 37 -7.910 2.260 1.268 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.717 2.108 0.325 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.675 3.331 1.868 1.00 0.00 O ATOM 0 H ASP A 37 -8.324 -0.424 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.462 -1.052 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.911 1.128 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.185 0.989 1.200 1.00 0.00 H new ATOM 565 N GLY A 38 -9.669 0.301 2.991 1.00 0.00 N ATOM 566 CA GLY A 38 -11.049 0.556 3.367 1.00 0.00 C ATOM 567 C GLY A 38 -11.864 -0.739 3.372 1.00 0.00 C ATOM 568 O GLY A 38 -13.093 -0.704 3.342 1.00 0.00 O ATOM 0 H GLY A 38 -8.991 0.438 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.082 1.014 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.494 1.267 2.671 1.00 0.00 H new ATOM 572 N ARG A 39 -11.146 -1.852 3.409 1.00 0.00 N ATOM 573 CA ARG A 39 -11.787 -3.156 3.417 1.00 0.00 C ATOM 574 C ARG A 39 -11.255 -4.002 4.576 1.00 0.00 C ATOM 575 O ARG A 39 -10.237 -3.665 5.179 1.00 0.00 O ATOM 576 CB ARG A 39 -11.545 -3.897 2.101 1.00 0.00 C ATOM 577 CG ARG A 39 -12.819 -3.940 1.253 1.00 0.00 C ATOM 578 CD ARG A 39 -13.619 -5.214 1.531 1.00 0.00 C ATOM 579 NE ARG A 39 -15.067 -4.907 1.552 1.00 0.00 N ATOM 580 CZ ARG A 39 -16.013 -5.776 1.932 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.671 -7.011 2.324 1.00 0.00 N ATOM 582 NH2 ARG A 39 -17.303 -5.411 1.920 1.00 0.00 N ATOM 0 H ARG A 39 -10.127 -1.878 3.434 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.858 -2.998 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.749 -3.404 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.207 -4.912 2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.434 -3.066 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.558 -3.893 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.408 -5.960 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.316 -5.643 2.486 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.363 -3.976 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.690 -7.290 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.392 -7.672 2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.564 -4.471 1.621 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.023 -6.073 2.209 1.00 0.00 H new ATOM 596 N GLN A 40 -11.967 -5.084 4.852 1.00 0.00 N ATOM 597 CA GLN A 40 -11.580 -5.981 5.928 1.00 0.00 C ATOM 598 C GLN A 40 -10.057 -6.121 5.979 1.00 0.00 C ATOM 599 O GLN A 40 -9.407 -5.555 6.857 1.00 0.00 O ATOM 600 CB GLN A 40 -12.251 -7.347 5.772 1.00 0.00 C ATOM 601 CG GLN A 40 -13.544 -7.419 6.588 1.00 0.00 C ATOM 602 CD GLN A 40 -14.009 -8.867 6.751 1.00 0.00 C ATOM 603 OE1 GLN A 40 -14.768 -9.396 5.955 1.00 0.00 O ATOM 604 NE2 GLN A 40 -13.514 -9.477 7.824 1.00 0.00 N ATOM 0 H GLN A 40 -12.810 -5.360 4.349 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.919 -5.553 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.470 -7.531 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.567 -8.131 6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.384 -6.972 7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.322 -6.837 6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.883 -8.976 8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.765 -10.446 8.021 1.00 0.00 H new ATOM 613 N TRP A 41 -9.532 -6.878 5.027 1.00 0.00 N ATOM 614 CA TRP A 41 -8.098 -7.100 4.953 1.00 0.00 C ATOM 615 C TRP A 41 -7.551 -6.272 3.789 1.00 0.00 C ATOM 616 O TRP A 41 -8.164 -6.211 2.724 1.00 0.00 O ATOM 617 CB TRP A 41 -7.779 -8.591 4.827 1.00 0.00 C ATOM 618 CG TRP A 41 -7.936 -9.374 6.132 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.947 -9.319 7.011 1.00 0.00 C ATOM 620 CD2 TRP A 41 -7.008 -10.337 6.674 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.738 -10.172 8.075 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.522 -10.811 7.864 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.775 -10.792 6.176 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.870 -11.765 8.655 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.136 -11.745 6.978 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.640 -12.233 8.178 1.00 0.00 C ATOM 0 H TRP A 41 -10.074 -7.345 4.300 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.610 -6.775 5.872 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.432 -9.029 4.072 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.756 -8.704 4.468 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.815 -8.687 6.900 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.362 -10.309 8.871 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.354 -10.435 5.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.293 -12.120 9.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.184 -12.128 6.641 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.085 -12.970 8.740 1.00 0.00 H new ATOM 637 N TRP A 42 -6.404 -5.654 4.030 1.00 0.00 N ATOM 638 CA TRP A 42 -5.768 -4.832 3.015 1.00 0.00 C ATOM 639 C TRP A 42 -4.950 -5.752 2.106 1.00 0.00 C ATOM 640 O TRP A 42 -4.630 -6.878 2.483 1.00 0.00 O ATOM 641 CB TRP A 42 -4.929 -3.724 3.654 1.00 0.00 C ATOM 642 CG TRP A 42 -5.744 -2.721 4.474 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.066 -2.715 4.694 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.232 -1.571 5.180 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.442 -1.650 5.486 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.292 -0.932 5.790 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.918 -1.086 5.298 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.146 0.228 6.562 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.789 0.073 6.072 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.846 0.729 6.693 1.00 0.00 C ATOM 0 H TRP A 42 -5.898 -5.706 4.914 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.516 -4.319 2.410 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.176 -4.178 4.298 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.395 -3.188 2.869 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.751 -3.452 4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.390 -1.430 5.792 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.074 -1.570 4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.991 0.710 7.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.799 0.487 6.196 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.665 1.621 7.274 1.00 0.00 H new ATOM 661 N LYS A 43 -4.636 -5.238 0.926 1.00 0.00 N ATOM 662 CA LYS A 43 -3.862 -5.999 -0.040 1.00 0.00 C ATOM 663 C LYS A 43 -2.564 -5.250 -0.350 1.00 0.00 C ATOM 664 O LYS A 43 -2.560 -4.311 -1.144 1.00 0.00 O ATOM 665 CB LYS A 43 -4.705 -6.307 -1.279 1.00 0.00 C ATOM 666 CG LYS A 43 -3.994 -7.309 -2.190 1.00 0.00 C ATOM 667 CD LYS A 43 -4.605 -7.303 -3.593 1.00 0.00 C ATOM 668 CE LYS A 43 -3.869 -8.277 -4.516 1.00 0.00 C ATOM 669 NZ LYS A 43 -4.793 -9.322 -5.010 1.00 0.00 N ATOM 0 H LYS A 43 -4.904 -4.304 0.617 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.581 -6.967 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.672 -6.709 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.901 -5.386 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.934 -7.063 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.065 -8.309 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.659 -7.576 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.559 -6.297 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.440 -7.735 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.041 -8.740 -3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.277 -9.974 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.183 -9.850 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.569 -8.877 -5.540 1.00 0.00 H new ATOM 683 N LEU A 44 -1.494 -5.695 0.293 1.00 0.00 N ATOM 684 CA LEU A 44 -0.193 -5.079 0.096 1.00 0.00 C ATOM 685 C LEU A 44 0.568 -5.842 -0.989 1.00 0.00 C ATOM 686 O LEU A 44 0.173 -6.942 -1.373 1.00 0.00 O ATOM 687 CB LEU A 44 0.561 -4.982 1.424 1.00 0.00 C ATOM 688 CG LEU A 44 -0.232 -4.421 2.606 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.871 -3.077 2.249 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.266 -5.433 3.103 1.00 0.00 C ATOM 0 H LEU A 44 -1.502 -6.475 0.951 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.306 -4.053 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.917 -5.977 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.442 -4.358 1.274 1.00 0.00 H new ATOM 0 HG LEU A 44 0.462 -4.240 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.429 -2.700 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.092 -2.363 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.548 -3.209 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.816 -5.009 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.961 -5.669 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.759 -6.343 3.423 1.00 0.00 H new ATOM 702 N ARG A 45 1.647 -5.228 -1.454 1.00 0.00 N ATOM 703 CA ARG A 45 2.467 -5.836 -2.488 1.00 0.00 C ATOM 704 C ARG A 45 3.946 -5.533 -2.238 1.00 0.00 C ATOM 705 O ARG A 45 4.330 -4.373 -2.096 1.00 0.00 O ATOM 706 CB ARG A 45 2.075 -5.322 -3.875 1.00 0.00 C ATOM 707 CG ARG A 45 3.100 -5.751 -4.927 1.00 0.00 C ATOM 708 CD ARG A 45 2.453 -5.861 -6.310 1.00 0.00 C ATOM 709 NE ARG A 45 2.537 -4.561 -7.013 1.00 0.00 N ATOM 710 CZ ARG A 45 3.678 -4.025 -7.466 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.838 -4.673 -7.292 1.00 0.00 N ATOM 712 NH2 ARG A 45 3.660 -2.841 -8.092 1.00 0.00 N ATOM 0 H ARG A 45 1.972 -4.316 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 45 2.302 -6.913 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.090 -5.704 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.000 -4.235 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.916 -5.030 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.534 -6.711 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.954 -6.633 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.410 -6.163 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 45 1.672 -4.041 -7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.852 -5.574 -6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.707 -4.265 -7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.777 -2.347 -8.224 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.529 -2.433 -8.437 1.00 0.00 H new ATOM 726 N SER A 46 4.735 -6.596 -2.193 1.00 0.00 N ATOM 727 CA SER A 46 6.163 -6.459 -1.963 1.00 0.00 C ATOM 728 C SER A 46 6.881 -6.177 -3.284 1.00 0.00 C ATOM 729 O SER A 46 6.299 -6.332 -4.356 1.00 0.00 O ATOM 730 CB SER A 46 6.738 -7.714 -1.304 1.00 0.00 C ATOM 731 OG SER A 46 8.009 -8.066 -1.843 1.00 0.00 O ATOM 0 H SER A 46 4.412 -7.556 -2.312 1.00 0.00 H new ATOM 0 HA SER A 46 6.321 -5.621 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.833 -7.549 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.045 -8.544 -1.439 1.00 0.00 H new ATOM 0 HG SER A 46 8.335 -8.880 -1.406 1.00 0.00 H new ATOM 737 N ARG A 47 8.135 -5.767 -3.163 1.00 0.00 N ATOM 738 CA ARG A 47 8.939 -5.461 -4.335 1.00 0.00 C ATOM 739 C ARG A 47 9.211 -6.735 -5.138 1.00 0.00 C ATOM 740 O ARG A 47 9.670 -6.668 -6.277 1.00 0.00 O ATOM 741 CB ARG A 47 10.271 -4.822 -3.938 1.00 0.00 C ATOM 742 CG ARG A 47 11.094 -5.769 -3.062 1.00 0.00 C ATOM 743 CD ARG A 47 10.858 -5.486 -1.577 1.00 0.00 C ATOM 744 NE ARG A 47 12.154 -5.316 -0.882 1.00 0.00 N ATOM 745 CZ ARG A 47 12.844 -4.168 -0.850 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.367 -3.082 -1.473 1.00 0.00 N ATOM 747 NH2 ARG A 47 14.012 -4.106 -0.195 1.00 0.00 N ATOM 0 H ARG A 47 8.614 -5.639 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 47 8.379 -4.754 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.837 -4.566 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.086 -3.892 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.827 -6.802 -3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.153 -5.656 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.253 -4.587 -1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.299 -6.306 -1.126 1.00 0.00 H new ATOM 0 HE ARG A 47 12.546 -6.123 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.478 -3.129 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.892 -2.208 -1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.375 -4.933 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.537 -3.232 -0.171 1.00 0.00 H new ATOM 761 N SER A 48 8.918 -7.865 -4.512 1.00 0.00 N ATOM 762 CA SER A 48 9.125 -9.152 -5.155 1.00 0.00 C ATOM 763 C SER A 48 8.041 -9.393 -6.206 1.00 0.00 C ATOM 764 O SER A 48 8.056 -10.411 -6.897 1.00 0.00 O ATOM 765 CB SER A 48 9.130 -10.286 -4.128 1.00 0.00 C ATOM 766 OG SER A 48 10.452 -10.722 -3.820 1.00 0.00 O ATOM 0 H SER A 48 8.539 -7.917 -3.566 1.00 0.00 H new ATOM 0 HA SER A 48 10.099 -9.137 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.637 -9.951 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.552 -11.126 -4.513 1.00 0.00 H new ATOM 0 HG SER A 48 10.412 -11.445 -3.160 1.00 0.00 H new ATOM 772 N GLY A 49 7.125 -8.439 -6.295 1.00 0.00 N ATOM 773 CA GLY A 49 6.035 -8.535 -7.251 1.00 0.00 C ATOM 774 C GLY A 49 4.870 -9.344 -6.675 1.00 0.00 C ATOM 775 O GLY A 49 3.851 -9.529 -7.338 1.00 0.00 O ATOM 0 H GLY A 49 7.116 -7.596 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.692 -7.536 -7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.391 -9.005 -8.168 1.00 0.00 H new ATOM 779 N GLN A 50 5.061 -9.804 -5.447 1.00 0.00 N ATOM 780 CA GLN A 50 4.040 -10.589 -4.775 1.00 0.00 C ATOM 781 C GLN A 50 3.079 -9.671 -4.017 1.00 0.00 C ATOM 782 O GLN A 50 3.474 -8.606 -3.546 1.00 0.00 O ATOM 783 CB GLN A 50 4.670 -11.619 -3.835 1.00 0.00 C ATOM 784 CG GLN A 50 4.707 -13.004 -4.485 1.00 0.00 C ATOM 785 CD GLN A 50 5.983 -13.755 -4.101 1.00 0.00 C ATOM 786 OE1 GLN A 50 6.170 -14.175 -2.971 1.00 0.00 O ATOM 787 NE2 GLN A 50 6.847 -13.901 -5.102 1.00 0.00 N ATOM 0 H GLN A 50 5.908 -9.648 -4.900 1.00 0.00 H new ATOM 0 HA GLN A 50 3.473 -11.134 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.682 -11.308 -3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.102 -11.664 -2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.835 -13.579 -4.174 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.652 -12.903 -5.569 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.627 -13.525 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.729 -14.389 -4.947 1.00 0.00 H new ATOM 796 N ALA A 51 1.835 -10.117 -3.924 1.00 0.00 N ATOM 797 CA ALA A 51 0.814 -9.349 -3.231 1.00 0.00 C ATOM 798 C ALA A 51 -0.158 -10.307 -2.539 1.00 0.00 C ATOM 799 O ALA A 51 -0.658 -11.245 -3.159 1.00 0.00 O ATOM 800 CB ALA A 51 0.111 -8.422 -4.225 1.00 0.00 C ATOM 0 H ALA A 51 1.511 -11.001 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 51 1.262 -8.722 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.655 -7.846 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.840 -7.742 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.353 -9.017 -5.012 1.00 0.00 H new ATOM 806 N GLY A 52 -0.396 -10.039 -1.264 1.00 0.00 N ATOM 807 CA GLY A 52 -1.298 -10.866 -0.481 1.00 0.00 C ATOM 808 C GLY A 52 -2.130 -10.013 0.479 1.00 0.00 C ATOM 809 O GLY A 52 -1.870 -8.821 0.640 1.00 0.00 O ATOM 0 H GLY A 52 0.020 -9.260 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.959 -11.420 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.725 -11.601 0.084 1.00 0.00 H new ATOM 813 N TYR A 53 -3.114 -10.656 1.091 1.00 0.00 N ATOM 814 CA TYR A 53 -3.985 -9.971 2.030 1.00 0.00 C ATOM 815 C TYR A 53 -3.510 -10.177 3.470 1.00 0.00 C ATOM 816 O TYR A 53 -2.990 -11.239 3.809 1.00 0.00 O ATOM 817 CB TYR A 53 -5.367 -10.607 1.865 1.00 0.00 C ATOM 818 CG TYR A 53 -6.139 -10.110 0.641 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.586 -8.805 0.590 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.388 -10.966 -0.412 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.312 -8.337 -0.562 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.114 -10.499 -1.564 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.540 -9.207 -1.582 1.00 0.00 C ATOM 824 OH TYR A 53 -8.226 -8.765 -2.671 1.00 0.00 O ATOM 0 H TYR A 53 -3.327 -11.644 0.955 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.992 -8.899 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.252 -11.689 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.957 -10.407 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.391 -8.135 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.038 -11.987 -0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.667 -7.318 -0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.316 -11.159 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.313 -9.494 -3.320 1.00 0.00 H new ATOM 834 N VAL A 54 -3.706 -9.146 4.278 1.00 0.00 N ATOM 835 CA VAL A 54 -3.305 -9.201 5.673 1.00 0.00 C ATOM 836 C VAL A 54 -4.242 -8.323 6.504 1.00 0.00 C ATOM 837 O VAL A 54 -4.974 -7.499 5.958 1.00 0.00 O ATOM 838 CB VAL A 54 -1.834 -8.803 5.810 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.933 -10.039 5.859 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.412 -7.863 4.679 1.00 0.00 C ATOM 0 H VAL A 54 -4.138 -8.267 3.993 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.390 -10.218 6.055 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.720 -8.267 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.107 -9.728 5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.209 -10.656 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.055 -10.615 4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.362 -7.596 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.551 -8.362 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.022 -6.960 4.709 1.00 0.00 H new ATOM 850 N PRO A 55 -4.187 -8.534 7.847 1.00 0.00 N ATOM 851 CA PRO A 55 -5.022 -7.771 8.759 1.00 0.00 C ATOM 852 C PRO A 55 -4.491 -6.346 8.927 1.00 0.00 C ATOM 853 O PRO A 55 -3.280 -6.129 8.939 1.00 0.00 O ATOM 854 CB PRO A 55 -5.015 -8.565 10.055 1.00 0.00 C ATOM 855 CG PRO A 55 -3.812 -9.490 9.971 1.00 0.00 C ATOM 856 CD PRO A 55 -3.333 -9.501 8.529 1.00 0.00 C ATOM 0 HA PRO A 55 -6.040 -7.643 8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.939 -7.903 10.918 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.938 -9.134 10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.019 -9.146 10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.081 -10.496 10.292 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.282 -9.220 8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.428 -10.493 8.088 1.00 0.00 H new ATOM 864 N CYS A 56 -5.422 -5.413 9.052 1.00 0.00 N ATOM 865 CA CYS A 56 -5.063 -4.015 9.219 1.00 0.00 C ATOM 866 C CYS A 56 -4.687 -3.787 10.684 1.00 0.00 C ATOM 867 O CYS A 56 -4.309 -2.680 11.067 1.00 0.00 O ATOM 868 CB CYS A 56 -6.190 -3.083 8.767 1.00 0.00 C ATOM 869 SG CYS A 56 -7.644 -3.284 9.861 1.00 0.00 S ATOM 0 H CYS A 56 -6.425 -5.597 9.041 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.209 -3.778 8.585 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.848 -2.048 8.789 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.466 -3.306 7.736 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.594 -2.487 9.471 1.00 0.00 H new ATOM 875 N ASN A 57 -4.804 -4.851 11.464 1.00 0.00 N ATOM 876 CA ASN A 57 -4.481 -4.781 12.879 1.00 0.00 C ATOM 877 C ASN A 57 -2.973 -4.579 13.045 1.00 0.00 C ATOM 878 O ASN A 57 -2.532 -3.909 13.977 1.00 0.00 O ATOM 879 CB ASN A 57 -4.865 -6.077 13.597 1.00 0.00 C ATOM 880 CG ASN A 57 -5.604 -5.782 14.903 1.00 0.00 C ATOM 881 OD1 ASN A 57 -5.781 -4.642 15.303 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.025 -6.868 15.545 1.00 0.00 N ATOM 0 H ASN A 57 -5.118 -5.767 11.143 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.039 -3.950 13.311 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.496 -6.684 12.947 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.968 -6.660 13.806 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.529 -6.776 16.427 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.844 -7.793 15.155 1.00 0.00 H new ATOM 889 N ILE A 58 -2.225 -5.170 12.125 1.00 0.00 N ATOM 890 CA ILE A 58 -0.776 -5.062 12.157 1.00 0.00 C ATOM 891 C ILE A 58 -0.337 -3.884 11.286 1.00 0.00 C ATOM 892 O ILE A 58 0.760 -3.355 11.458 1.00 0.00 O ATOM 893 CB ILE A 58 -0.131 -6.392 11.762 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.382 -6.706 10.286 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.604 -7.524 12.677 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.043 -8.137 9.950 1.00 0.00 C ATOM 0 H ILE A 58 -2.595 -5.725 11.353 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.432 -4.855 13.170 1.00 0.00 H new ATOM 0 HB ILE A 58 0.947 -6.301 11.893 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.439 -6.574 10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.170 -6.003 9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.131 -8.458 12.375 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.332 -7.296 13.708 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.687 -7.625 12.601 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.146 -8.334 8.895 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.106 -8.259 10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.528 -8.838 10.558 1.00 0.00 H new ATOM 908 N LEU A 59 -1.216 -3.507 10.369 1.00 0.00 N ATOM 909 CA LEU A 59 -0.933 -2.400 9.471 1.00 0.00 C ATOM 910 C LEU A 59 -1.041 -1.083 10.241 1.00 0.00 C ATOM 911 O LEU A 59 -1.674 -1.026 11.294 1.00 0.00 O ATOM 912 CB LEU A 59 -1.836 -2.467 8.237 1.00 0.00 C ATOM 913 CG LEU A 59 -1.742 -3.748 7.406 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.831 -3.787 6.333 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.343 -3.912 6.808 1.00 0.00 C ATOM 0 H LEU A 59 -2.125 -3.949 10.228 1.00 0.00 H new ATOM 0 HA LEU A 59 0.088 -2.466 9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.869 -2.342 8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.600 -1.621 7.592 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.912 -4.597 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.741 -4.708 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.811 -3.750 6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.718 -2.931 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.303 -4.830 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.120 -3.061 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.392 -3.962 7.611 1.00 0.00 H new ATOM 927 N GLY A 60 -0.413 -0.057 9.686 1.00 0.00 N ATOM 928 CA GLY A 60 -0.431 1.256 10.308 1.00 0.00 C ATOM 929 C GLY A 60 -0.207 2.358 9.270 1.00 0.00 C ATOM 930 O GLY A 60 0.501 2.153 8.284 1.00 0.00 O ATOM 0 H GLY A 60 0.111 -0.108 8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.387 1.412 10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.343 1.310 11.074 1.00 0.00 H new