USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 903 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 79 GLN : amide:sc= -32.6! C(o=-36!,f=-35!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 169:sc= -3.8! (180deg=-3.37!) USER MOD Set 2.1: A 30 ASN : amide:sc= -4.02! K(o=-6.8!,f=-4.2) USER MOD Set 2.2: A 34 ASN : amide:sc= -2.79! C(o=-6.8!,f=-7.3!) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.288! C(o=0.4!,f=-13!) USER MOD Set 3.2: A 22 LYS NZ :NH3+ -145:sc= 0.683 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 34:sc= 0.0915 USER MOD Single : A 13 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.71) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= -0.0432 (180deg=-0.348) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -8.9! C(o=-8.9!,f=-15!) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -14.8! (180deg=-15.5!) USER MOD Single : A 37 ASN : amide:sc= -7.08! C(o=-7.1!,f=-6.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00233 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 46 GLN : amide:sc= -5.96! C(o=-6!,f=-6.6!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 147:sc= 0 (180deg=-0.185) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.846 K(o=-0.85,f=-6.6!) USER MOD Single : A 85 SER OG : rot 99:sc= 0.136 USER MOD Single : A 91 MET CE :methyl -166:sc= -0.0485 (180deg=-0.403) USER MOD Single : A 92 GLN : amide:sc= -0.0144 X(o=-0.014,f=0.051) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 141:sc= -2.84 (180deg=-5.88!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot -41:sc= -0.776 USER MOD Single : A 112 LYS NZ :NH3+ 175:sc= -1.46 (180deg=-1.53) USER MOD Single : A 113 SER OG : rot 145:sc= -1.14 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 124 LYS NZ :NH3+ -108:sc= -8.12! (180deg=-10.5!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 18.703 -7.394 0.500 1.00 1.61 N ATOM 138 CA THR A 9 19.791 -6.694 1.249 1.00 1.66 C ATOM 139 C THR A 9 19.235 -5.608 2.169 1.00 1.62 C ATOM 140 O THR A 9 19.876 -5.210 3.118 1.00 1.65 O ATOM 141 CB THR A 9 20.758 -6.059 0.246 1.00 1.71 C ATOM 142 OG1 THR A 9 21.327 -7.075 -0.568 1.00 1.71 O ATOM 143 CG2 THR A 9 21.867 -5.322 0.996 1.00 1.78 C ATOM 0 HA THR A 9 20.305 -7.429 1.868 1.00 1.66 H new ATOM 0 HB THR A 9 20.217 -5.350 -0.381 1.00 1.71 H new ATOM 0 HG1 THR A 9 20.667 -7.785 -0.714 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.554 -4.871 0.279 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.429 -4.542 1.619 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.411 -6.026 1.626 1.00 1.78 H new ATOM 151 N LEU A 10 18.065 -5.121 1.911 1.00 1.55 N ATOM 152 CA LEU A 10 17.514 -4.053 2.794 1.00 1.52 C ATOM 153 C LEU A 10 17.137 -4.663 4.152 1.00 1.51 C ATOM 154 O LEU A 10 17.337 -4.061 5.188 1.00 1.54 O ATOM 155 CB LEU A 10 16.284 -3.412 2.119 1.00 1.44 C ATOM 156 CG LEU A 10 16.694 -2.144 1.355 1.00 1.43 C ATOM 157 CD1 LEU A 10 17.678 -2.501 0.239 1.00 1.48 C ATOM 158 CD2 LEU A 10 15.449 -1.498 0.746 1.00 1.36 C ATOM 0 H LEU A 10 17.465 -5.407 1.137 1.00 1.55 H new ATOM 0 HA LEU A 10 18.263 -3.277 2.956 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.824 -4.125 1.434 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.535 -3.165 2.872 1.00 1.44 H new ATOM 0 HG LEU A 10 17.173 -1.448 2.044 1.00 1.43 H new ATOM 0 HD11 LEU A 10 17.963 -1.596 -0.298 1.00 1.48 H new ATOM 0 HD12 LEU A 10 18.566 -2.962 0.671 1.00 1.48 H new ATOM 0 HD13 LEU A 10 17.206 -3.199 -0.452 1.00 1.48 H new ATOM 0 HD21 LEU A 10 15.735 -0.597 0.203 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.973 -2.200 0.061 1.00 1.36 H new ATOM 0 HD23 LEU A 10 14.750 -1.236 1.540 1.00 1.36 H new ATOM 170 N PHE A 11 16.606 -5.856 4.157 1.00 1.48 N ATOM 171 CA PHE A 11 16.231 -6.505 5.449 1.00 1.48 C ATOM 172 C PHE A 11 17.468 -7.175 6.028 1.00 1.55 C ATOM 173 O PHE A 11 17.617 -7.316 7.226 1.00 1.57 O ATOM 174 CB PHE A 11 15.150 -7.566 5.182 1.00 1.42 C ATOM 175 CG PHE A 11 13.796 -6.932 5.265 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.152 -6.767 6.496 1.00 1.34 C ATOM 177 CD2 PHE A 11 13.211 -6.497 4.103 1.00 1.31 C ATOM 178 CE1 PHE A 11 11.896 -6.153 6.541 1.00 1.27 C ATOM 179 CE2 PHE A 11 11.964 -5.878 4.132 1.00 1.25 C ATOM 180 CZ PHE A 11 11.302 -5.705 5.356 1.00 1.23 C ATOM 0 H PHE A 11 16.415 -6.410 3.322 1.00 1.48 H new ATOM 0 HA PHE A 11 15.846 -5.764 6.150 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.296 -8.009 4.197 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.230 -8.373 5.910 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.622 -7.111 7.406 1.00 1.34 H new ATOM 0 HD2 PHE A 11 13.720 -6.635 3.161 1.00 1.31 H new ATOM 0 HE1 PHE A 11 11.388 -6.025 7.485 1.00 1.27 H new ATOM 0 HE2 PHE A 11 11.509 -5.533 3.216 1.00 1.25 H new ATOM 0 HZ PHE A 11 10.334 -5.226 5.384 1.00 1.23 H new ATOM 190 N ASP A 12 18.349 -7.598 5.176 1.00 1.58 N ATOM 191 CA ASP A 12 19.588 -8.280 5.660 1.00 1.65 C ATOM 192 C ASP A 12 20.690 -7.252 5.932 1.00 1.70 C ATOM 193 O ASP A 12 21.685 -7.563 6.556 1.00 1.75 O ATOM 194 CB ASP A 12 20.067 -9.282 4.607 1.00 1.68 C ATOM 195 CG ASP A 12 19.157 -10.512 4.617 1.00 1.63 C ATOM 196 OD1 ASP A 12 19.157 -11.218 5.612 1.00 1.58 O ATOM 197 OD2 ASP A 12 18.475 -10.728 3.628 1.00 1.65 O ATOM 0 H ASP A 12 18.272 -7.505 4.163 1.00 1.58 H new ATOM 0 HA ASP A 12 19.361 -8.806 6.588 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.059 -8.819 3.620 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.096 -9.577 4.813 1.00 1.68 H new ATOM 202 N HIS A 13 20.533 -6.032 5.470 1.00 1.70 N ATOM 203 CA HIS A 13 21.599 -4.998 5.713 1.00 1.76 C ATOM 204 C HIS A 13 20.988 -3.622 6.027 1.00 1.73 C ATOM 205 O HIS A 13 21.684 -2.626 6.011 1.00 1.77 O ATOM 206 CB HIS A 13 22.484 -4.880 4.467 1.00 1.80 C ATOM 207 CG HIS A 13 23.755 -4.153 4.816 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.419 -4.360 6.015 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.493 -3.216 4.137 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.504 -3.565 6.021 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.597 -2.845 4.899 1.00 1.95 N ATOM 0 H HIS A 13 19.724 -5.708 4.941 1.00 1.70 H new ATOM 0 HA HIS A 13 22.189 -5.316 6.573 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.716 -5.872 4.078 1.00 1.80 H new ATOM 0 HB3 HIS A 13 21.952 -4.345 3.680 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.253 -2.826 3.159 1.00 1.91 H new ATOM 0 HE1 HIS A 13 26.214 -3.515 6.834 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.321 -2.169 4.654 1.00 1.95 H new ATOM 219 N ALA A 14 19.716 -3.540 6.330 1.00 1.66 N ATOM 220 CA ALA A 14 19.128 -2.198 6.653 1.00 1.63 C ATOM 221 C ALA A 14 17.698 -2.333 7.192 1.00 1.56 C ATOM 222 O ALA A 14 16.765 -1.895 6.550 1.00 1.51 O ATOM 223 CB ALA A 14 19.101 -1.336 5.388 1.00 1.62 C ATOM 0 H ALA A 14 19.068 -4.327 6.368 1.00 1.66 H new ATOM 0 HA ALA A 14 19.747 -1.732 7.419 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.674 -0.361 5.621 1.00 1.62 H new ATOM 0 HB2 ALA A 14 20.117 -1.207 5.014 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.493 -1.826 4.627 1.00 1.62 H new ATOM 229 N PRO A 15 17.559 -2.906 8.368 1.00 1.57 N ATOM 230 CA PRO A 15 16.239 -3.062 8.999 1.00 1.51 C ATOM 231 C PRO A 15 15.724 -1.679 9.433 1.00 1.50 C ATOM 232 O PRO A 15 14.565 -1.507 9.754 1.00 1.44 O ATOM 233 CB PRO A 15 16.497 -3.968 10.229 1.00 1.54 C ATOM 234 CG PRO A 15 18.025 -4.253 10.290 1.00 1.62 C ATOM 235 CD PRO A 15 18.686 -3.447 9.153 1.00 1.64 C ATOM 0 HA PRO A 15 15.491 -3.494 8.334 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.162 -3.478 11.143 1.00 1.54 H new ATOM 0 HB3 PRO A 15 15.937 -4.899 10.143 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.433 -3.959 11.257 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.223 -5.318 10.171 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.313 -2.647 9.548 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.327 -4.081 8.540 1.00 1.64 H new ATOM 243 N ASP A 16 16.592 -0.698 9.461 1.00 1.55 N ATOM 244 CA ASP A 16 16.167 0.674 9.895 1.00 1.55 C ATOM 245 C ASP A 16 15.614 1.469 8.706 1.00 1.52 C ATOM 246 O ASP A 16 14.581 2.115 8.794 1.00 1.48 O ATOM 247 CB ASP A 16 17.373 1.413 10.479 1.00 1.63 C ATOM 248 CG ASP A 16 17.948 0.612 11.648 1.00 1.65 C ATOM 249 OD1 ASP A 16 17.167 0.134 12.454 1.00 1.64 O ATOM 250 OD2 ASP A 16 19.160 0.491 11.719 1.00 1.68 O ATOM 0 H ASP A 16 17.575 -0.785 9.203 1.00 1.55 H new ATOM 0 HA ASP A 16 15.384 0.578 10.647 1.00 1.55 H new ATOM 0 HB2 ASP A 16 18.134 1.552 9.711 1.00 1.63 H new ATOM 0 HB3 ASP A 16 17.076 2.406 10.817 1.00 1.63 H new ATOM 255 N LYS A 17 16.295 1.436 7.597 1.00 1.55 N ATOM 256 CA LYS A 17 15.815 2.190 6.408 1.00 1.54 C ATOM 257 C LYS A 17 14.444 1.657 6.012 1.00 1.46 C ATOM 258 O LYS A 17 13.553 2.401 5.662 1.00 1.42 O ATOM 259 CB LYS A 17 16.795 2.000 5.250 1.00 1.59 C ATOM 260 CG LYS A 17 18.089 2.758 5.550 1.00 1.67 C ATOM 261 CD LYS A 17 19.059 2.595 4.378 1.00 1.72 C ATOM 262 CE LYS A 17 20.195 3.609 4.514 1.00 1.80 C ATOM 263 NZ LYS A 17 19.690 4.970 4.175 1.00 1.80 N ATOM 0 H LYS A 17 17.164 0.919 7.462 1.00 1.55 H new ATOM 0 HA LYS A 17 15.746 3.252 6.644 1.00 1.54 H new ATOM 0 HB2 LYS A 17 17.006 0.940 5.108 1.00 1.59 H new ATOM 0 HB3 LYS A 17 16.354 2.364 4.322 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.875 3.814 5.714 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.542 2.378 6.466 1.00 1.67 H new ATOM 0 HD2 LYS A 17 19.461 1.582 4.363 1.00 1.72 H new ATOM 0 HD3 LYS A 17 18.535 2.744 3.434 1.00 1.72 H new ATOM 0 HE2 LYS A 17 20.587 3.598 5.531 1.00 1.80 H new ATOM 0 HE3 LYS A 17 21.018 3.340 3.852 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 20.490 5.583 3.919 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 19.032 4.906 3.372 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 19.195 5.371 4.997 1.00 1.80 H new ATOM 277 N LEU A 18 14.269 0.370 6.074 1.00 1.43 N ATOM 278 CA LEU A 18 12.955 -0.219 5.711 1.00 1.36 C ATOM 279 C LEU A 18 11.864 0.449 6.543 1.00 1.31 C ATOM 280 O LEU A 18 10.777 0.712 6.068 1.00 1.26 O ATOM 281 CB LEU A 18 12.986 -1.720 6.004 1.00 1.35 C ATOM 282 CG LEU A 18 13.733 -2.456 4.872 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.324 -3.758 5.411 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.765 -2.776 3.720 1.00 1.41 C ATOM 0 H LEU A 18 14.981 -0.301 6.361 1.00 1.43 H new ATOM 0 HA LEU A 18 12.750 -0.060 4.652 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.480 -1.904 6.958 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.970 -2.104 6.092 1.00 1.35 H new ATOM 0 HG LEU A 18 14.532 -1.815 4.501 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.851 -4.277 4.611 1.00 1.28 H new ATOM 0 HD12 LEU A 18 15.021 -3.534 6.219 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.522 -4.393 5.788 1.00 1.28 H new ATOM 0 HD21 LEU A 18 13.303 -3.295 2.927 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.959 -3.411 4.088 1.00 1.41 H new ATOM 0 HD23 LEU A 18 12.347 -1.849 3.328 1.00 1.41 H new ATOM 296 N ASN A 19 12.150 0.733 7.782 1.00 1.33 N ATOM 297 CA ASN A 19 11.131 1.394 8.642 1.00 1.29 C ATOM 298 C ASN A 19 10.773 2.744 8.024 1.00 1.30 C ATOM 299 O ASN A 19 9.618 3.049 7.791 1.00 1.25 O ATOM 300 CB ASN A 19 11.702 1.606 10.045 1.00 1.32 C ATOM 301 CG ASN A 19 10.598 2.110 10.977 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.482 1.632 10.930 1.00 1.29 O ATOM 303 ND2 ASN A 19 10.864 3.063 11.828 1.00 1.22 N ATOM 0 H ASN A 19 13.042 0.537 8.235 1.00 1.33 H new ATOM 0 HA ASN A 19 10.241 0.769 8.712 1.00 1.29 H new ATOM 0 HB2 ASN A 19 12.115 0.672 10.426 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.520 2.326 10.011 1.00 1.32 H new ATOM 0 HD21 ASN A 19 10.135 3.406 12.453 1.00 1.22 H new ATOM 0 HD22 ASN A 19 11.801 3.464 11.868 1.00 1.22 H new ATOM 310 N VAL A 20 11.757 3.553 7.746 1.00 1.36 N ATOM 311 CA VAL A 20 11.468 4.880 7.131 1.00 1.38 C ATOM 312 C VAL A 20 10.794 4.671 5.768 1.00 1.34 C ATOM 313 O VAL A 20 9.938 5.436 5.357 1.00 1.32 O ATOM 314 CB VAL A 20 12.776 5.656 6.948 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.470 7.142 6.745 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.645 5.486 8.196 1.00 1.50 C ATOM 0 H VAL A 20 12.743 3.355 7.916 1.00 1.36 H new ATOM 0 HA VAL A 20 10.803 5.448 7.781 1.00 1.38 H new ATOM 0 HB VAL A 20 13.304 5.272 6.075 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.403 7.691 6.615 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.848 7.268 5.858 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.941 7.527 7.617 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.577 6.037 8.068 1.00 1.50 H new ATOM 0 HG22 VAL A 20 13.112 5.870 9.066 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.866 4.429 8.344 1.00 1.50 H new ATOM 326 N VAL A 21 11.168 3.639 5.061 1.00 1.33 N ATOM 327 CA VAL A 21 10.541 3.395 3.734 1.00 1.30 C ATOM 328 C VAL A 21 9.054 3.097 3.925 1.00 1.22 C ATOM 329 O VAL A 21 8.239 3.462 3.104 1.00 1.19 O ATOM 330 CB VAL A 21 11.226 2.216 3.037 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.474 1.875 1.746 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.678 2.591 2.698 1.00 1.38 C ATOM 0 H VAL A 21 11.875 2.960 5.343 1.00 1.33 H new ATOM 0 HA VAL A 21 10.656 4.282 3.112 1.00 1.30 H new ATOM 0 HB VAL A 21 11.219 1.352 3.701 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.963 1.036 1.251 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.445 1.606 1.985 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.479 2.740 1.083 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.164 1.751 2.202 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.685 3.457 2.036 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.215 2.831 3.615 1.00 1.38 H new ATOM 342 N LYS A 22 8.674 2.469 5.011 1.00 1.19 N ATOM 343 CA LYS A 22 7.234 2.211 5.224 1.00 1.12 C ATOM 344 C LYS A 22 6.587 3.576 5.358 1.00 1.12 C ATOM 345 O LYS A 22 5.539 3.816 4.832 1.00 1.09 O ATOM 346 CB LYS A 22 7.050 1.354 6.496 1.00 1.09 C ATOM 347 CG LYS A 22 5.650 1.554 7.149 1.00 1.03 C ATOM 348 CD LYS A 22 5.751 1.343 8.667 1.00 1.03 C ATOM 349 CE LYS A 22 6.323 2.606 9.330 1.00 1.09 C ATOM 350 NZ LYS A 22 7.118 2.218 10.530 1.00 1.14 N ATOM 0 H LYS A 22 9.297 2.131 5.745 1.00 1.19 H new ATOM 0 HA LYS A 22 6.777 1.656 4.405 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.184 0.302 6.244 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.825 1.610 7.219 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.278 2.556 6.936 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.935 0.851 6.721 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.767 1.119 9.079 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.390 0.487 8.883 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.951 3.148 8.623 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.514 3.277 9.618 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 7.008 2.942 11.268 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.780 1.303 10.890 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 8.122 2.138 10.270 1.00 1.14 H new ATOM 364 N LYS A 23 7.217 4.461 6.075 1.00 1.17 N ATOM 365 CA LYS A 23 6.656 5.833 6.263 1.00 1.18 C ATOM 366 C LYS A 23 6.528 6.548 4.908 1.00 1.20 C ATOM 367 O LYS A 23 5.714 7.437 4.736 1.00 1.20 O ATOM 368 CB LYS A 23 7.583 6.638 7.177 1.00 1.25 C ATOM 369 CG LYS A 23 7.792 5.874 8.486 1.00 1.23 C ATOM 370 CD LYS A 23 8.520 6.766 9.494 1.00 1.29 C ATOM 371 CE LYS A 23 8.496 6.100 10.871 1.00 1.36 C ATOM 372 NZ LYS A 23 9.300 6.910 11.829 1.00 1.39 N ATOM 0 H LYS A 23 8.107 4.294 6.545 1.00 1.17 H new ATOM 0 HA LYS A 23 5.667 5.753 6.715 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.541 6.807 6.685 1.00 1.25 H new ATOM 0 HB3 LYS A 23 7.151 7.618 7.380 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.831 5.560 8.892 1.00 1.23 H new ATOM 0 HG3 LYS A 23 8.371 4.969 8.302 1.00 1.23 H new ATOM 0 HD2 LYS A 23 9.549 6.930 9.175 1.00 1.29 H new ATOM 0 HD3 LYS A 23 8.042 7.744 9.542 1.00 1.29 H new ATOM 0 HE2 LYS A 23 7.469 6.011 11.226 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.899 5.089 10.805 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 9.284 6.457 12.765 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 10.282 6.973 11.492 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 8.896 7.866 11.900 1.00 1.39 H new ATOM 386 N THR A 24 7.305 6.166 3.934 1.00 1.22 N ATOM 387 CA THR A 24 7.187 6.833 2.601 1.00 1.24 C ATOM 388 C THR A 24 5.958 6.269 1.918 1.00 1.18 C ATOM 389 O THR A 24 5.268 6.934 1.169 1.00 1.18 O ATOM 390 CB THR A 24 8.437 6.553 1.757 1.00 1.30 C ATOM 391 OG1 THR A 24 9.593 6.670 2.573 1.00 1.36 O ATOM 392 CG2 THR A 24 8.518 7.560 0.607 1.00 1.31 C ATOM 0 H THR A 24 8.009 5.431 3.997 1.00 1.22 H new ATOM 0 HA THR A 24 7.098 7.913 2.719 1.00 1.24 H new ATOM 0 HB THR A 24 8.380 5.544 1.348 1.00 1.30 H new ATOM 0 HG1 THR A 24 10.392 6.490 2.036 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.407 7.359 0.009 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.631 7.469 -0.020 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.574 8.571 1.012 1.00 1.31 H new ATOM 400 N LEU A 25 5.656 5.052 2.216 1.00 1.13 N ATOM 401 CA LEU A 25 4.452 4.436 1.645 1.00 1.07 C ATOM 402 C LEU A 25 3.259 5.051 2.372 1.00 1.03 C ATOM 403 O LEU A 25 2.191 5.213 1.816 1.00 0.99 O ATOM 404 CB LEU A 25 4.519 2.933 1.885 1.00 1.03 C ATOM 405 CG LEU A 25 5.740 2.343 1.165 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.820 0.826 1.438 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.650 2.622 -0.354 1.00 1.09 C ATOM 0 H LEU A 25 6.199 4.452 2.838 1.00 1.13 H new ATOM 0 HA LEU A 25 4.365 4.608 0.572 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.583 2.729 2.954 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.608 2.457 1.523 1.00 1.03 H new ATOM 0 HG LEU A 25 6.646 2.816 1.545 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.687 0.409 0.926 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.914 0.654 2.510 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.915 0.342 1.071 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.521 2.199 -0.854 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.745 2.166 -0.755 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.620 3.698 -0.525 1.00 1.09 H new ATOM 419 N ILE A 26 3.456 5.437 3.610 1.00 1.04 N ATOM 420 CA ILE A 26 2.365 6.085 4.372 1.00 1.01 C ATOM 421 C ILE A 26 2.061 7.393 3.663 1.00 1.05 C ATOM 422 O ILE A 26 0.939 7.821 3.610 1.00 1.02 O ATOM 423 CB ILE A 26 2.818 6.342 5.825 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.980 4.989 6.534 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.782 7.196 6.583 1.00 1.02 C ATOM 426 CD1 ILE A 26 3.172 5.194 8.040 1.00 1.01 C ATOM 0 H ILE A 26 4.333 5.327 4.120 1.00 1.04 H new ATOM 0 HA ILE A 26 1.477 5.454 4.415 1.00 1.01 H new ATOM 0 HB ILE A 26 3.763 6.884 5.812 1.00 1.03 H new ATOM 0 HG12 ILE A 26 2.101 4.370 6.354 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.836 4.455 6.121 1.00 0.99 H new ATOM 0 HG21 ILE A 26 2.125 7.363 7.604 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.663 8.155 6.079 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.825 6.675 6.602 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.285 4.226 8.527 1.00 1.01 H new ATOM 0 HD12 ILE A 26 4.065 5.795 8.215 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.303 5.708 8.451 1.00 1.01 H new ATOM 438 N THR A 27 3.061 8.023 3.108 1.00 1.11 N ATOM 439 CA THR A 27 2.820 9.303 2.385 1.00 1.15 C ATOM 440 C THR A 27 1.967 9.015 1.132 1.00 1.12 C ATOM 441 O THR A 27 1.032 9.729 0.829 1.00 1.12 O ATOM 442 CB THR A 27 4.174 9.930 2.003 1.00 1.23 C ATOM 443 OG1 THR A 27 4.739 10.542 3.154 1.00 1.27 O ATOM 444 CG2 THR A 27 3.983 10.989 0.912 1.00 1.27 C ATOM 0 H THR A 27 4.031 7.707 3.124 1.00 1.11 H new ATOM 0 HA THR A 27 2.282 10.008 3.019 1.00 1.15 H new ATOM 0 HB THR A 27 4.835 9.150 1.625 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.602 10.943 2.921 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.949 11.423 0.653 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.544 10.526 0.028 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.320 11.773 1.278 1.00 1.27 H new ATOM 452 N PHE A 28 2.275 7.964 0.415 1.00 1.10 N ATOM 453 CA PHE A 28 1.480 7.611 -0.807 1.00 1.07 C ATOM 454 C PHE A 28 -0.018 7.572 -0.447 1.00 1.01 C ATOM 455 O PHE A 28 -0.862 8.207 -1.078 1.00 1.02 O ATOM 456 CB PHE A 28 1.951 6.226 -1.287 1.00 1.05 C ATOM 457 CG PHE A 28 1.292 5.836 -2.608 1.00 1.03 C ATOM 458 CD1 PHE A 28 1.384 6.664 -3.746 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.564 4.636 -2.690 1.00 0.97 C ATOM 460 CE1 PHE A 28 0.751 6.294 -4.931 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.061 4.270 -3.884 1.00 0.96 C ATOM 462 CZ PHE A 28 0.027 5.099 -5.002 1.00 1.00 C ATOM 0 H PHE A 28 3.047 7.330 0.622 1.00 1.10 H new ATOM 0 HA PHE A 28 1.626 8.349 -1.596 1.00 1.07 H new ATOM 0 HB2 PHE A 28 3.034 6.231 -1.407 1.00 1.05 H new ATOM 0 HB3 PHE A 28 1.718 5.479 -0.529 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.945 7.585 -3.699 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.488 3.994 -1.825 1.00 0.97 H new ATOM 0 HE1 PHE A 28 0.820 6.933 -5.799 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.613 3.344 -3.942 1.00 0.96 H new ATOM 0 HZ PHE A 28 -0.464 4.819 -5.922 1.00 1.00 H new ATOM 472 N VAL A 29 -0.363 6.838 0.571 1.00 0.97 N ATOM 473 CA VAL A 29 -1.792 6.769 0.968 1.00 0.92 C ATOM 474 C VAL A 29 -2.229 8.143 1.485 1.00 0.95 C ATOM 475 O VAL A 29 -3.335 8.586 1.245 1.00 0.94 O ATOM 476 CB VAL A 29 -1.977 5.711 2.065 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.454 5.293 2.151 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.116 4.486 1.738 1.00 0.85 C ATOM 0 H VAL A 29 0.278 6.287 1.141 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.402 6.490 0.109 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.671 6.131 3.023 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.575 4.542 2.932 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.065 6.164 2.387 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.770 4.876 1.195 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.245 3.733 2.515 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.422 4.072 0.777 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.068 4.781 1.689 1.00 0.85 H new ATOM 488 N ASN A 30 -1.364 8.822 2.191 1.00 0.99 N ATOM 489 CA ASN A 30 -1.716 10.165 2.721 1.00 1.03 C ATOM 490 C ASN A 30 -2.094 11.065 1.553 1.00 1.06 C ATOM 491 O ASN A 30 -2.711 12.083 1.721 1.00 1.09 O ATOM 492 CB ASN A 30 -0.518 10.764 3.472 1.00 1.08 C ATOM 493 CG ASN A 30 -1.003 11.610 4.651 1.00 1.08 C ATOM 494 OD1 ASN A 30 -0.738 12.794 4.721 1.00 1.11 O ATOM 495 ND2 ASN A 30 -1.709 11.040 5.585 1.00 1.06 N ATOM 0 H ASN A 30 -0.425 8.499 2.423 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.554 10.080 3.413 1.00 1.03 H new ATOM 0 HB2 ASN A 30 0.132 9.966 3.831 1.00 1.08 H new ATOM 0 HB3 ASN A 30 0.075 11.378 2.794 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -2.042 11.587 6.379 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.929 10.046 5.523 1.00 1.06 H new ATOM 502 N LYS A 31 -1.726 10.689 0.367 1.00 1.07 N ATOM 503 CA LYS A 31 -2.071 11.526 -0.807 1.00 1.11 C ATOM 504 C LYS A 31 -3.505 11.219 -1.180 1.00 1.06 C ATOM 505 O LYS A 31 -4.369 12.079 -1.148 1.00 1.08 O ATOM 506 CB LYS A 31 -1.153 11.190 -1.994 1.00 1.13 C ATOM 507 CG LYS A 31 0.331 11.477 -1.639 1.00 1.18 C ATOM 508 CD LYS A 31 0.798 12.787 -2.294 1.00 1.19 C ATOM 509 CE LYS A 31 0.007 13.965 -1.722 1.00 1.23 C ATOM 510 NZ LYS A 31 0.700 15.239 -2.059 1.00 1.29 N ATOM 0 H LYS A 31 -1.202 9.839 0.159 1.00 1.07 H new ATOM 0 HA LYS A 31 -1.945 12.581 -0.565 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -1.271 10.141 -2.266 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.444 11.779 -2.864 1.00 1.13 H new ATOM 0 HG2 LYS A 31 0.446 11.543 -0.557 1.00 1.18 H new ATOM 0 HG3 LYS A 31 0.958 10.651 -1.976 1.00 1.18 H new ATOM 0 HD2 LYS A 31 1.864 12.933 -2.117 1.00 1.19 H new ATOM 0 HD3 LYS A 31 0.659 12.734 -3.374 1.00 1.19 H new ATOM 0 HE2 LYS A 31 -1.004 13.970 -2.129 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -0.085 13.864 -0.641 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 0.162 16.040 -1.670 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 1.656 15.233 -1.650 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 0.766 15.335 -3.092 1.00 1.29 H new ATOM 524 N HIS A 32 -3.795 9.986 -1.485 1.00 1.01 N ATOM 525 CA HIS A 32 -5.178 9.651 -1.822 1.00 0.97 C ATOM 526 C HIS A 32 -6.058 10.067 -0.644 1.00 0.95 C ATOM 527 O HIS A 32 -7.217 10.342 -0.776 1.00 0.95 O ATOM 528 CB HIS A 32 -5.236 8.133 -2.104 1.00 0.91 C ATOM 529 CG HIS A 32 -5.864 7.363 -0.969 1.00 0.93 C ATOM 530 ND1 HIS A 32 -7.127 7.656 -0.498 1.00 0.89 N ATOM 531 CD2 HIS A 32 -5.437 6.280 -0.246 1.00 0.98 C ATOM 532 CE1 HIS A 32 -7.418 6.770 0.469 1.00 0.93 C ATOM 533 NE2 HIS A 32 -6.421 5.906 0.664 1.00 0.98 N ATOM 0 H HIS A 32 -3.132 9.212 -1.512 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.538 10.172 -2.709 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -5.804 7.957 -3.018 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -4.227 7.759 -2.279 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -4.481 5.791 -0.365 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -8.346 6.759 1.021 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -6.387 5.138 1.334 1.00 0.98 H new ATOM 541 N LEU A 33 -5.483 10.132 0.505 1.00 0.95 N ATOM 542 CA LEU A 33 -6.246 10.529 1.712 1.00 0.94 C ATOM 543 C LEU A 33 -6.228 12.041 1.820 1.00 1.01 C ATOM 544 O LEU A 33 -7.249 12.671 2.012 1.00 1.02 O ATOM 545 CB LEU A 33 -5.572 9.927 2.942 1.00 0.92 C ATOM 546 CG LEU A 33 -5.870 8.421 3.065 1.00 0.85 C ATOM 547 CD1 LEU A 33 -4.809 7.765 3.953 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.250 8.179 3.702 1.00 0.84 C ATOM 0 H LEU A 33 -4.498 9.924 0.670 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.274 10.173 1.645 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.495 10.083 2.881 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -5.919 10.442 3.838 1.00 0.92 H new ATOM 0 HG LEU A 33 -5.859 7.991 2.063 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.017 6.699 4.042 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -3.824 7.906 3.508 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -4.829 8.222 4.942 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -7.434 7.107 3.776 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.274 8.621 4.698 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.022 8.637 3.083 1.00 0.84 H new ATOM 560 N ASN A 34 -5.065 12.629 1.726 1.00 1.05 N ATOM 561 CA ASN A 34 -4.983 14.109 1.853 1.00 1.12 C ATOM 562 C ASN A 34 -6.107 14.796 1.064 1.00 1.14 C ATOM 563 O ASN A 34 -6.496 15.890 1.425 1.00 1.18 O ATOM 564 CB ASN A 34 -3.620 14.623 1.352 1.00 1.18 C ATOM 565 CG ASN A 34 -2.578 14.542 2.476 1.00 1.25 C ATOM 566 OD1 ASN A 34 -2.847 14.004 3.532 1.00 1.26 O ATOM 567 ND2 ASN A 34 -1.395 15.059 2.290 1.00 1.29 N ATOM 0 H ASN A 34 -4.177 12.152 1.568 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.095 14.353 2.909 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.291 14.031 0.498 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.715 15.653 1.008 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -0.696 15.012 3.031 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -1.169 15.510 1.404 1.00 1.29 H new ATOM 574 N LYS A 35 -6.668 14.218 0.004 1.00 1.11 N ATOM 575 CA LYS A 35 -7.775 15.021 -0.664 1.00 1.13 C ATOM 576 C LYS A 35 -9.013 14.968 0.231 1.00 1.11 C ATOM 577 O LYS A 35 -9.532 15.990 0.636 1.00 1.16 O ATOM 578 CB LYS A 35 -8.127 14.566 -2.098 1.00 1.10 C ATOM 579 CG LYS A 35 -8.071 13.030 -2.251 1.00 0.97 C ATOM 580 CD LYS A 35 -7.239 12.624 -3.485 1.00 1.01 C ATOM 581 CE LYS A 35 -5.830 13.265 -3.445 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.533 13.777 -2.083 1.00 1.15 N ATOM 0 H LYS A 35 -6.437 13.310 -0.399 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.406 16.040 -0.779 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -9.126 14.919 -2.355 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -7.435 15.026 -2.804 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -7.637 12.588 -1.354 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -9.082 12.634 -2.344 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -7.147 11.539 -3.524 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -7.756 12.933 -4.393 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.080 12.529 -3.735 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -5.773 14.080 -4.167 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -4.508 13.921 -1.982 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -6.026 14.681 -1.937 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.857 13.088 -1.375 1.00 1.15 H new ATOM 596 N LEU A 36 -9.470 13.799 0.589 1.00 1.04 N ATOM 597 CA LEU A 36 -10.643 13.730 1.509 1.00 1.02 C ATOM 598 C LEU A 36 -10.152 14.202 2.883 1.00 1.05 C ATOM 599 O LEU A 36 -10.852 14.167 3.872 1.00 1.03 O ATOM 600 CB LEU A 36 -11.146 12.288 1.587 1.00 0.95 C ATOM 601 CG LEU A 36 -12.539 12.225 2.242 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.600 12.874 1.330 1.00 0.97 C ATOM 603 CD2 LEU A 36 -12.902 10.755 2.491 1.00 0.89 C ATOM 0 H LEU A 36 -9.090 12.901 0.290 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.466 14.353 1.159 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.191 11.860 0.586 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.443 11.684 2.160 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.517 12.772 3.184 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.576 12.819 1.811 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.340 13.918 1.155 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -13.634 12.344 0.378 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -13.887 10.697 2.955 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -12.915 10.218 1.543 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.162 10.305 3.153 1.00 0.89 H new ATOM 615 N ASN A 37 -8.925 14.646 2.911 1.00 1.11 N ATOM 616 CA ASN A 37 -8.272 15.158 4.143 1.00 1.16 C ATOM 617 C ASN A 37 -8.380 14.187 5.314 1.00 1.11 C ATOM 618 O ASN A 37 -9.010 14.456 6.316 1.00 1.12 O ATOM 619 CB ASN A 37 -8.840 16.517 4.511 1.00 1.22 C ATOM 620 CG ASN A 37 -10.281 16.405 5.017 1.00 1.19 C ATOM 621 OD1 ASN A 37 -10.515 16.237 6.197 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.266 16.508 4.166 1.00 1.21 N ATOM 0 H ASN A 37 -8.324 14.674 2.088 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.209 15.262 3.926 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.218 16.976 5.279 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -8.809 17.173 3.641 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -12.230 16.447 4.492 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.071 16.649 3.175 1.00 1.21 H new ATOM 629 N LEU A 38 -7.696 13.086 5.202 1.00 1.06 N ATOM 630 CA LEU A 38 -7.656 12.071 6.313 1.00 1.02 C ATOM 631 C LEU A 38 -6.188 11.925 6.739 1.00 1.02 C ATOM 632 O LEU A 38 -5.408 12.847 6.602 1.00 1.06 O ATOM 633 CB LEU A 38 -8.217 10.716 5.832 1.00 0.98 C ATOM 634 CG LEU A 38 -9.753 10.678 5.958 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.183 10.706 7.441 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.376 11.865 5.202 1.00 1.02 C ATOM 0 H LEU A 38 -7.151 12.833 4.378 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.271 12.396 7.152 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -7.929 10.547 4.794 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -7.780 9.908 6.419 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.111 9.748 5.516 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.271 10.678 7.505 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -9.767 9.841 7.957 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -9.815 11.619 7.909 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.461 11.828 5.298 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.006 12.800 5.624 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.103 11.809 4.148 1.00 1.02 H new ATOM 648 N GLU A 39 -5.798 10.797 7.252 1.00 1.02 N ATOM 649 CA GLU A 39 -4.376 10.636 7.676 1.00 1.03 C ATOM 650 C GLU A 39 -4.066 9.166 7.980 1.00 0.98 C ATOM 651 O GLU A 39 -4.634 8.574 8.875 1.00 0.95 O ATOM 652 CB GLU A 39 -4.125 11.476 8.929 1.00 1.08 C ATOM 653 CG GLU A 39 -2.664 11.328 9.359 1.00 1.11 C ATOM 654 CD GLU A 39 -2.354 12.328 10.474 1.00 1.16 C ATOM 655 OE1 GLU A 39 -2.253 13.507 10.175 1.00 1.13 O ATOM 656 OE2 GLU A 39 -2.223 11.898 11.609 1.00 1.24 O ATOM 0 H GLU A 39 -6.394 9.982 7.397 1.00 1.02 H new ATOM 0 HA GLU A 39 -3.728 10.970 6.865 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.352 12.523 8.729 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -4.786 11.155 9.734 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.478 10.312 9.706 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.005 11.500 8.508 1.00 1.11 H new ATOM 663 N VAL A 40 -3.150 8.580 7.251 1.00 0.98 N ATOM 664 CA VAL A 40 -2.778 7.152 7.507 1.00 0.94 C ATOM 665 C VAL A 40 -1.592 7.115 8.477 1.00 0.95 C ATOM 666 O VAL A 40 -0.868 8.081 8.616 1.00 0.99 O ATOM 667 CB VAL A 40 -2.388 6.484 6.183 1.00 0.91 C ATOM 668 CG1 VAL A 40 -1.320 7.333 5.447 1.00 0.94 C ATOM 669 CG2 VAL A 40 -1.850 5.073 6.469 1.00 0.89 C ATOM 0 H VAL A 40 -2.642 9.028 6.488 1.00 0.98 H new ATOM 0 HA VAL A 40 -3.623 6.617 7.942 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.265 6.411 5.540 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.052 6.847 4.509 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -1.723 8.325 5.240 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.433 7.425 6.074 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -1.571 4.593 5.531 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -0.975 5.141 7.116 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -2.622 4.483 6.963 1.00 0.89 H new ATOM 679 N THR A 41 -1.392 6.012 9.158 1.00 0.93 N ATOM 680 CA THR A 41 -0.254 5.920 10.133 1.00 0.95 C ATOM 681 C THR A 41 0.392 4.533 10.072 1.00 0.91 C ATOM 682 O THR A 41 1.551 4.370 10.401 1.00 0.96 O ATOM 683 CB THR A 41 -0.792 6.138 11.555 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.885 7.043 11.512 1.00 1.12 O ATOM 685 CG2 THR A 41 0.310 6.707 12.456 1.00 1.20 C ATOM 0 H THR A 41 -1.965 5.172 9.083 1.00 0.93 H new ATOM 0 HA THR A 41 0.487 6.678 9.878 1.00 0.95 H new ATOM 0 HB THR A 41 -1.122 5.182 11.961 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.230 7.182 12.418 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.083 6.857 13.461 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.146 6.008 12.494 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.652 7.661 12.054 1.00 1.20 H new ATOM 693 N GLU A 42 -0.356 3.528 9.691 1.00 0.86 N ATOM 694 CA GLU A 42 0.206 2.142 9.645 1.00 0.83 C ATOM 695 C GLU A 42 -0.064 1.522 8.279 1.00 0.81 C ATOM 696 O GLU A 42 -1.039 0.826 8.083 1.00 0.88 O ATOM 697 CB GLU A 42 -0.458 1.299 10.737 1.00 0.78 C ATOM 698 CG GLU A 42 0.135 1.669 12.099 1.00 0.77 C ATOM 699 CD GLU A 42 1.553 1.105 12.209 1.00 0.78 C ATOM 700 OE1 GLU A 42 1.701 -0.101 12.100 1.00 0.84 O ATOM 701 OE2 GLU A 42 2.468 1.890 12.399 1.00 0.83 O ATOM 0 H GLU A 42 -1.333 3.607 9.409 1.00 0.86 H new ATOM 0 HA GLU A 42 1.283 2.176 9.811 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.535 1.470 10.739 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.304 0.239 10.537 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.153 2.752 12.217 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.489 1.271 12.899 1.00 0.77 H new ATOM 708 N LEU A 43 0.804 1.754 7.335 1.00 0.80 N ATOM 709 CA LEU A 43 0.604 1.166 5.987 1.00 0.78 C ATOM 710 C LEU A 43 0.448 -0.344 6.148 1.00 0.74 C ATOM 711 O LEU A 43 -0.405 -0.971 5.549 1.00 0.70 O ATOM 712 CB LEU A 43 1.830 1.498 5.122 1.00 0.86 C ATOM 713 CG LEU A 43 1.774 0.785 3.756 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.100 -0.721 3.878 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.389 0.978 3.123 1.00 0.90 C ATOM 0 H LEU A 43 1.642 2.325 7.441 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.286 1.570 5.504 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.886 2.576 4.968 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.738 1.204 5.649 1.00 0.86 H new ATOM 0 HG LEU A 43 2.534 1.233 3.115 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.049 -1.185 2.893 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.103 -0.844 4.286 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.378 -1.197 4.541 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.356 0.472 2.158 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.373 0.558 3.779 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.199 2.042 2.981 1.00 0.90 H new ATOM 727 N GLU A 44 1.279 -0.935 6.948 1.00 0.79 N ATOM 728 CA GLU A 44 1.200 -2.410 7.147 1.00 0.77 C ATOM 729 C GLU A 44 -0.254 -2.860 7.415 1.00 0.69 C ATOM 730 O GLU A 44 -0.832 -3.658 6.694 1.00 0.70 O ATOM 731 CB GLU A 44 2.086 -2.806 8.352 1.00 0.83 C ATOM 732 CG GLU A 44 3.022 -1.657 8.718 1.00 0.84 C ATOM 733 CD GLU A 44 3.987 -2.107 9.816 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.761 -3.167 10.378 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.935 -1.386 10.077 1.00 1.14 O ATOM 0 H GLU A 44 2.013 -0.464 7.477 1.00 0.79 H new ATOM 0 HA GLU A 44 1.550 -2.901 6.239 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.458 -3.060 9.206 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.668 -3.695 8.108 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.581 -1.336 7.839 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.443 -0.798 9.059 1.00 0.84 H new ATOM 742 N THR A 45 -0.829 -2.379 8.473 1.00 0.65 N ATOM 743 CA THR A 45 -2.213 -2.804 8.831 1.00 0.60 C ATOM 744 C THR A 45 -3.255 -2.100 7.961 1.00 0.58 C ATOM 745 O THR A 45 -4.439 -2.327 8.108 1.00 0.58 O ATOM 746 CB THR A 45 -2.472 -2.493 10.317 1.00 0.65 C ATOM 747 OG1 THR A 45 -3.557 -3.287 10.774 1.00 0.84 O ATOM 748 CG2 THR A 45 -2.813 -1.003 10.517 1.00 0.64 C ATOM 0 H THR A 45 -0.403 -1.707 9.111 1.00 0.65 H new ATOM 0 HA THR A 45 -2.302 -3.876 8.655 1.00 0.60 H new ATOM 0 HB THR A 45 -1.569 -2.720 10.884 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.727 -3.096 11.720 1.00 0.84 H new ATOM 0 HG21 THR A 45 -2.992 -0.809 11.575 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.981 -0.390 10.171 1.00 0.64 H new ATOM 0 HG23 THR A 45 -3.708 -0.755 9.947 1.00 0.64 H new ATOM 756 N GLN A 46 -2.852 -1.257 7.054 1.00 0.59 N ATOM 757 CA GLN A 46 -3.862 -0.583 6.213 1.00 0.59 C ATOM 758 C GLN A 46 -4.389 -1.598 5.218 1.00 0.54 C ATOM 759 O GLN A 46 -5.454 -1.440 4.655 1.00 0.58 O ATOM 760 CB GLN A 46 -3.245 0.618 5.492 1.00 0.65 C ATOM 761 CG GLN A 46 -3.195 1.828 6.456 1.00 0.66 C ATOM 762 CD GLN A 46 -4.406 2.742 6.232 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.557 3.323 5.176 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.279 2.894 7.190 1.00 1.04 N ATOM 0 H GLN A 46 -1.880 -1.011 6.864 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.678 -0.206 6.829 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.241 0.372 5.147 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.833 0.867 4.609 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.182 1.478 7.488 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.274 2.389 6.298 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.153 2.406 8.077 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.087 3.500 7.052 1.00 1.04 H new ATOM 773 N PHE A 47 -3.662 -2.673 5.027 1.00 0.50 N ATOM 774 CA PHE A 47 -4.127 -3.730 4.111 1.00 0.49 C ATOM 775 C PHE A 47 -4.785 -4.777 4.975 1.00 0.46 C ATOM 776 O PHE A 47 -5.549 -5.604 4.520 1.00 0.49 O ATOM 777 CB PHE A 47 -2.942 -4.328 3.370 1.00 0.54 C ATOM 778 CG PHE A 47 -2.602 -3.466 2.173 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.147 -2.157 2.365 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.742 -3.973 0.875 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.832 -1.356 1.262 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.426 -3.172 -0.228 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.971 -1.863 -0.035 1.00 0.89 C ATOM 0 H PHE A 47 -2.763 -2.853 5.475 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.821 -3.340 3.366 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.082 -4.398 4.036 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.177 -5.342 3.045 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.039 -1.765 3.365 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.094 -4.983 0.725 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.481 -0.346 1.412 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.533 -3.564 -1.229 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.727 -1.244 -0.886 1.00 0.89 H new ATOM 793 N ALA A 48 -4.524 -4.701 6.242 1.00 0.42 N ATOM 794 CA ALA A 48 -5.160 -5.643 7.193 1.00 0.40 C ATOM 795 C ALA A 48 -6.622 -5.256 7.290 1.00 0.36 C ATOM 796 O ALA A 48 -7.263 -5.406 8.311 1.00 0.36 O ATOM 797 CB ALA A 48 -4.498 -5.548 8.569 1.00 0.42 C ATOM 0 H ALA A 48 -3.892 -4.021 6.664 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.049 -6.670 6.846 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -4.979 -6.247 9.253 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.440 -5.795 8.482 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.603 -4.534 8.954 1.00 0.42 H new ATOM 803 N ASP A 49 -7.138 -4.733 6.219 1.00 0.34 N ATOM 804 CA ASP A 49 -8.546 -4.297 6.204 1.00 0.32 C ATOM 805 C ASP A 49 -8.955 -3.947 4.768 1.00 0.31 C ATOM 806 O ASP A 49 -10.119 -3.778 4.469 1.00 0.31 O ATOM 807 CB ASP A 49 -8.660 -3.062 7.096 1.00 0.32 C ATOM 808 CG ASP A 49 -7.884 -1.899 6.473 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.257 -1.474 5.394 1.00 0.36 O ATOM 810 OD2 ASP A 49 -6.930 -1.453 7.088 1.00 0.34 O ATOM 0 H ASP A 49 -6.633 -4.589 5.344 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.201 -5.088 6.569 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -9.707 -2.787 7.220 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.268 -3.282 8.089 1.00 0.32 H new ATOM 815 N GLY A 50 -8.003 -3.852 3.875 1.00 0.32 N ATOM 816 CA GLY A 50 -8.327 -3.512 2.451 1.00 0.33 C ATOM 817 C GLY A 50 -9.370 -2.377 2.365 1.00 0.33 C ATOM 818 O GLY A 50 -9.919 -2.100 1.309 1.00 0.34 O ATOM 0 H GLY A 50 -7.012 -3.995 4.069 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.417 -3.212 1.931 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.708 -4.397 1.942 1.00 0.33 H new ATOM 822 N VAL A 51 -9.648 -1.704 3.445 1.00 0.33 N ATOM 823 CA VAL A 51 -10.641 -0.595 3.378 1.00 0.36 C ATOM 824 C VAL A 51 -9.953 0.618 2.774 1.00 0.40 C ATOM 825 O VAL A 51 -10.330 1.105 1.728 1.00 0.42 O ATOM 826 CB VAL A 51 -11.110 -0.239 4.784 1.00 0.37 C ATOM 827 CG1 VAL A 51 -11.955 1.041 4.743 1.00 0.43 C ATOM 828 CG2 VAL A 51 -11.951 -1.383 5.360 1.00 0.36 C ATOM 0 H VAL A 51 -9.236 -1.870 4.363 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.498 -0.899 2.776 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.237 -0.078 5.416 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.287 1.290 5.751 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.356 1.860 4.346 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -12.823 0.883 4.103 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.282 -1.121 6.365 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.820 -1.552 4.724 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.350 -2.291 5.402 1.00 0.36 H new ATOM 838 N TYR A 52 -8.924 1.098 3.420 1.00 0.41 N ATOM 839 CA TYR A 52 -8.194 2.269 2.877 1.00 0.47 C ATOM 840 C TYR A 52 -7.844 1.972 1.427 1.00 0.47 C ATOM 841 O TYR A 52 -7.536 2.853 0.654 1.00 0.51 O ATOM 842 CB TYR A 52 -6.920 2.501 3.691 1.00 0.49 C ATOM 843 CG TYR A 52 -7.298 2.943 5.084 1.00 0.51 C ATOM 844 CD1 TYR A 52 -7.613 1.989 6.059 1.00 0.57 C ATOM 845 CD2 TYR A 52 -7.341 4.306 5.399 1.00 0.48 C ATOM 846 CE1 TYR A 52 -7.970 2.398 7.350 1.00 0.60 C ATOM 847 CE2 TYR A 52 -7.698 4.716 6.690 1.00 0.51 C ATOM 848 CZ TYR A 52 -8.013 3.762 7.665 1.00 0.57 C ATOM 849 OH TYR A 52 -8.367 4.166 8.936 1.00 0.60 O ATOM 0 H TYR A 52 -8.561 0.727 4.298 1.00 0.41 H new ATOM 0 HA TYR A 52 -8.809 3.167 2.936 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.329 1.586 3.734 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.300 3.258 3.211 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -7.581 0.937 5.816 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -7.099 5.042 4.647 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -8.212 1.662 8.102 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -7.730 5.768 6.933 1.00 0.51 H new ATOM 0 HH TYR A 52 -8.346 5.144 8.986 1.00 0.60 H new ATOM 859 N LEU A 53 -7.922 0.727 1.047 1.00 0.43 N ATOM 860 CA LEU A 53 -7.621 0.369 -0.369 1.00 0.44 C ATOM 861 C LEU A 53 -8.794 0.842 -1.228 1.00 0.45 C ATOM 862 O LEU A 53 -8.633 1.632 -2.136 1.00 0.50 O ATOM 863 CB LEU A 53 -7.433 -1.158 -0.507 1.00 0.41 C ATOM 864 CG LEU A 53 -5.942 -1.524 -0.469 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.329 -1.046 0.854 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.775 -3.054 -0.608 1.00 0.46 C ATOM 0 H LEU A 53 -8.179 -0.054 1.650 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.697 0.848 -0.694 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.959 -1.669 0.299 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.874 -1.501 -1.443 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.428 -1.036 -1.297 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.271 -1.306 0.880 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.439 0.035 0.936 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -5.841 -1.527 1.687 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.715 -3.308 -0.580 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -6.289 -3.552 0.214 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.202 -3.382 -1.556 1.00 0.46 H new ATOM 878 N VAL A 54 -9.983 0.384 -0.946 1.00 0.43 N ATOM 879 CA VAL A 54 -11.138 0.853 -1.759 1.00 0.46 C ATOM 880 C VAL A 54 -11.138 2.389 -1.776 1.00 0.51 C ATOM 881 O VAL A 54 -11.449 3.019 -2.777 1.00 0.55 O ATOM 882 CB VAL A 54 -12.443 0.349 -1.138 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.631 0.951 -1.890 1.00 0.49 C ATOM 884 CG2 VAL A 54 -12.501 -1.179 -1.236 1.00 0.41 C ATOM 0 H VAL A 54 -10.202 -0.281 -0.204 1.00 0.43 H new ATOM 0 HA VAL A 54 -11.055 0.469 -2.776 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.484 0.648 -0.091 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.561 0.592 -1.448 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.592 2.038 -1.821 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -13.588 0.652 -2.937 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -13.431 -1.537 -0.794 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -12.459 -1.478 -2.283 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.655 -1.610 -0.701 1.00 0.41 H new ATOM 894 N LEU A 55 -10.777 2.999 -0.676 1.00 0.52 N ATOM 895 CA LEU A 55 -10.754 4.486 -0.633 1.00 0.58 C ATOM 896 C LEU A 55 -9.698 5.004 -1.609 1.00 0.62 C ATOM 897 O LEU A 55 -9.927 5.950 -2.316 1.00 0.66 O ATOM 898 CB LEU A 55 -10.432 4.970 0.785 1.00 0.59 C ATOM 899 CG LEU A 55 -11.388 4.330 1.801 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.167 4.976 3.173 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.846 4.544 1.368 1.00 0.67 C ATOM 0 H LEU A 55 -10.499 2.532 0.187 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.734 4.868 -0.918 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.402 4.717 1.037 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.515 6.056 0.833 1.00 0.59 H new ATOM 0 HG LEU A 55 -11.189 3.260 1.854 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -11.843 4.526 3.900 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -10.136 4.816 3.489 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.365 6.046 3.107 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.513 4.085 2.097 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -13.054 5.612 1.307 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -13.006 4.087 0.392 1.00 0.67 H new ATOM 913 N LEU A 56 -8.551 4.387 -1.677 1.00 0.62 N ATOM 914 CA LEU A 56 -7.515 4.862 -2.641 1.00 0.66 C ATOM 915 C LEU A 56 -8.163 4.966 -4.015 1.00 0.67 C ATOM 916 O LEU A 56 -8.186 6.010 -4.623 1.00 0.72 O ATOM 917 CB LEU A 56 -6.341 3.855 -2.654 1.00 0.65 C ATOM 918 CG LEU A 56 -5.508 3.957 -3.945 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.997 5.385 -4.126 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.311 3.009 -3.843 1.00 0.66 C ATOM 0 H LEU A 56 -8.286 3.580 -1.112 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.124 5.838 -2.354 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.698 4.036 -1.793 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.731 2.842 -2.553 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.132 3.687 -4.797 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.409 5.448 -5.042 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.843 6.069 -4.191 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.374 5.659 -3.275 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.716 3.075 -4.754 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.697 3.289 -2.987 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.666 1.987 -3.716 1.00 0.66 H new ATOM 932 N MET A 57 -8.696 3.891 -4.495 1.00 0.62 N ATOM 933 CA MET A 57 -9.344 3.906 -5.837 1.00 0.63 C ATOM 934 C MET A 57 -10.234 5.146 -6.009 1.00 0.68 C ATOM 935 O MET A 57 -10.201 5.804 -7.033 1.00 0.72 O ATOM 936 CB MET A 57 -10.199 2.647 -5.997 1.00 0.58 C ATOM 937 CG MET A 57 -9.301 1.409 -5.955 1.00 0.55 C ATOM 938 SD MET A 57 -10.219 -0.022 -6.579 1.00 0.60 S ATOM 939 CE MET A 57 -8.813 -0.904 -7.299 1.00 0.57 C ATOM 0 H MET A 57 -8.715 2.990 -4.017 1.00 0.62 H new ATOM 0 HA MET A 57 -8.563 3.934 -6.597 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.943 2.597 -5.202 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.743 2.682 -6.941 1.00 0.58 H new ATOM 0 HG2 MET A 57 -8.408 1.573 -6.558 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.966 1.223 -4.934 1.00 0.55 H new ATOM 0 HE1 MET A 57 -8.975 -1.978 -7.213 1.00 0.57 H new ATOM 0 HE2 MET A 57 -8.715 -0.635 -8.351 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.901 -0.631 -6.768 1.00 0.57 H new ATOM 949 N GLY A 58 -11.058 5.453 -5.044 1.00 0.67 N ATOM 950 CA GLY A 58 -11.977 6.626 -5.207 1.00 0.73 C ATOM 951 C GLY A 58 -11.265 7.975 -5.071 1.00 0.79 C ATOM 952 O GLY A 58 -11.356 8.819 -5.941 1.00 0.84 O ATOM 0 H GLY A 58 -11.138 4.952 -4.159 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.455 6.572 -6.185 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.770 6.564 -4.461 1.00 0.73 H new ATOM 956 N LEU A 59 -10.583 8.200 -3.996 1.00 0.79 N ATOM 957 CA LEU A 59 -9.898 9.508 -3.810 1.00 0.86 C ATOM 958 C LEU A 59 -8.938 9.739 -4.968 1.00 0.88 C ATOM 959 O LEU A 59 -8.520 10.846 -5.236 1.00 0.94 O ATOM 960 CB LEU A 59 -9.175 9.533 -2.445 1.00 0.86 C ATOM 961 CG LEU A 59 -10.156 9.115 -1.305 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.650 9.616 0.056 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.558 9.709 -1.531 1.00 0.87 C ATOM 0 H LEU A 59 -10.466 7.536 -3.231 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.626 10.319 -3.807 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.321 8.856 -2.466 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.785 10.532 -2.250 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.208 8.026 -1.315 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.348 9.314 0.837 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.669 9.187 0.260 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.573 10.703 0.038 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.219 9.400 -0.721 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.493 10.797 -1.552 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.956 9.351 -2.480 1.00 0.87 H new ATOM 975 N LEU A 60 -8.624 8.707 -5.683 1.00 0.84 N ATOM 976 CA LEU A 60 -7.724 8.866 -6.859 1.00 0.87 C ATOM 977 C LEU A 60 -8.563 9.430 -8.008 1.00 0.91 C ATOM 978 O LEU A 60 -8.232 10.437 -8.601 1.00 0.96 O ATOM 979 CB LEU A 60 -7.132 7.499 -7.249 1.00 0.82 C ATOM 980 CG LEU A 60 -5.813 7.672 -8.028 1.00 0.87 C ATOM 981 CD1 LEU A 60 -6.038 8.577 -9.245 1.00 0.83 C ATOM 982 CD2 LEU A 60 -4.718 8.278 -7.120 1.00 0.91 C ATOM 0 H LEU A 60 -8.949 7.756 -5.509 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.898 9.539 -6.628 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.954 6.906 -6.352 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.849 6.948 -7.858 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.481 6.690 -8.365 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -5.101 8.694 -9.790 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -6.785 8.127 -9.900 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.388 9.554 -8.912 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -3.795 8.392 -7.689 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -5.044 9.253 -6.758 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.542 7.617 -6.272 1.00 0.91 H new ATOM 994 N GLU A 61 -9.663 8.793 -8.312 1.00 0.87 N ATOM 995 CA GLU A 61 -10.534 9.299 -9.408 1.00 0.91 C ATOM 996 C GLU A 61 -11.225 10.588 -8.951 1.00 0.96 C ATOM 997 O GLU A 61 -11.608 11.415 -9.755 1.00 1.00 O ATOM 998 CB GLU A 61 -11.591 8.245 -9.752 1.00 0.86 C ATOM 999 CG GLU A 61 -10.939 7.104 -10.537 1.00 0.82 C ATOM 1000 CD GLU A 61 -12.017 6.127 -11.010 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -13.177 6.368 -10.719 1.00 0.74 O ATOM 1002 OE2 GLU A 61 -11.664 5.153 -11.655 1.00 0.77 O ATOM 0 H GLU A 61 -9.994 7.946 -7.849 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.928 9.503 -10.291 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -12.046 7.859 -8.839 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -12.390 8.695 -10.341 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -10.394 7.502 -11.393 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -10.213 6.586 -9.910 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.383 10.770 -7.666 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.044 12.009 -7.164 1.00 1.01 C ATOM 1011 C GLY A 62 -13.546 11.938 -7.429 1.00 1.00 C ATOM 1012 O GLY A 62 -14.079 12.655 -8.253 1.00 1.03 O ATOM 0 H GLY A 62 -11.083 10.115 -6.944 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.859 12.124 -6.096 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -11.620 12.884 -7.657 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.273 -5.357 7.087 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.559 -6.613 7.412 1.00 0.35 C ATOM 1209 C PRO A 74 -14.143 -7.259 8.678 1.00 0.35 C ATOM 1210 O PRO A 74 -14.404 -6.591 9.659 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.086 -6.183 7.623 1.00 0.37 C ATOM 1212 CG PRO A 74 -11.959 -4.714 7.137 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.387 -4.182 6.895 1.00 0.47 C ATOM 0 HA PRO A 74 -13.653 -7.362 6.626 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.809 -6.265 8.674 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.412 -6.832 7.064 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.444 -4.107 7.882 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.370 -4.662 6.221 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.634 -3.383 7.594 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.490 -3.770 5.891 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.344 -8.561 8.657 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.908 -9.270 9.856 1.00 0.38 C ATOM 1223 C ASP A 75 -13.840 -10.194 10.461 1.00 0.36 C ATOM 1224 O ASP A 75 -13.665 -10.268 11.661 1.00 0.36 O ATOM 1225 CB ASP A 75 -16.125 -10.106 9.399 1.00 0.46 C ATOM 1226 CG ASP A 75 -17.243 -10.051 10.449 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.965 -10.353 11.598 1.00 1.34 O ATOM 1228 OD2 ASP A 75 -18.355 -9.708 10.084 1.00 0.82 O ATOM 0 H ASP A 75 -14.141 -9.163 7.859 1.00 0.34 H new ATOM 0 HA ASP A 75 -15.214 -8.546 10.611 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.495 -9.728 8.446 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.822 -11.140 9.236 1.00 0.46 H new ATOM 1233 N SER A 76 -13.153 -10.914 9.623 1.00 0.38 N ATOM 1234 CA SER A 76 -12.109 -11.876 10.090 1.00 0.41 C ATOM 1235 C SER A 76 -10.895 -11.827 9.163 1.00 0.39 C ATOM 1236 O SER A 76 -10.723 -10.925 8.378 1.00 0.37 O ATOM 1237 CB SER A 76 -12.682 -13.287 10.067 1.00 0.51 C ATOM 1238 OG SER A 76 -13.297 -13.524 8.807 1.00 0.54 O ATOM 0 H SER A 76 -13.271 -10.878 8.610 1.00 0.38 H new ATOM 0 HA SER A 76 -11.805 -11.605 11.101 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.891 -14.016 10.241 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.410 -13.409 10.869 1.00 0.51 H new ATOM 0 HG SER A 76 -13.665 -14.432 8.788 1.00 0.54 H new ATOM 1244 N PHE A 77 -10.037 -12.788 9.268 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.834 -12.807 8.404 1.00 0.44 C ATOM 1246 C PHE A 77 -9.231 -13.123 6.985 1.00 0.48 C ATOM 1247 O PHE A 77 -8.959 -12.387 6.081 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.887 -13.892 8.917 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.683 -14.052 8.005 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.888 -12.945 7.678 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.350 -15.320 7.504 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.762 -13.107 6.848 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -5.232 -15.478 6.677 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.439 -14.373 6.351 1.00 0.90 C ATOM 0 H PHE A 77 -10.115 -13.569 9.920 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.344 -11.834 8.428 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.552 -13.639 9.923 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.421 -14.840 8.987 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -6.139 -11.968 8.063 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.958 -16.176 7.757 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -4.149 -12.254 6.596 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.981 -16.455 6.290 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.576 -14.498 5.714 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.863 -14.214 6.793 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.275 -14.605 5.417 1.00 0.56 C ATOM 1266 C GLU A 78 -10.905 -13.414 4.683 1.00 0.53 C ATOM 1267 O GLU A 78 -10.606 -13.176 3.530 1.00 0.59 O ATOM 1268 CB GLU A 78 -11.274 -15.785 5.515 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.765 -16.993 4.718 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.832 -18.089 4.716 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.458 -18.281 5.746 1.00 1.04 O ATOM 1272 OE2 GLU A 78 -12.006 -18.718 3.685 1.00 1.45 O ATOM 0 H GLU A 78 -10.124 -14.872 7.527 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.401 -14.916 4.845 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.413 -16.064 6.559 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.248 -15.476 5.135 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.532 -16.696 3.696 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.842 -17.370 5.158 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.754 -12.655 5.317 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.349 -11.508 4.582 1.00 0.45 C ATOM 1281 C GLN A 79 -11.254 -10.509 4.262 1.00 0.40 C ATOM 1282 O GLN A 79 -11.285 -9.853 3.252 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.466 -10.833 5.378 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.073 -10.645 6.822 1.00 0.49 C ATOM 1285 CD GLN A 79 -12.257 -9.367 6.990 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -11.855 -8.765 6.018 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -12.004 -8.914 8.188 1.00 0.45 N ATOM 0 H GLN A 79 -12.055 -12.774 6.284 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.797 -11.884 3.662 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.699 -9.865 4.933 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.372 -11.436 5.321 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -13.966 -10.598 7.445 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.492 -11.502 7.162 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -12.342 -9.420 9.007 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -11.468 -8.054 8.305 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.280 -10.394 5.116 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.165 -9.437 4.839 1.00 0.38 C ATOM 1298 C LYS A 80 -8.357 -9.965 3.649 1.00 0.39 C ATOM 1299 O LYS A 80 -8.140 -9.273 2.674 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.229 -9.319 6.053 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.883 -8.486 7.151 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.908 -8.329 8.320 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.622 -7.654 9.493 1.00 0.51 C ATOM 1304 NZ LYS A 80 -9.444 -6.519 8.987 1.00 1.03 N ATOM 0 H LYS A 80 -10.203 -10.915 5.990 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.587 -8.455 4.625 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.991 -10.312 6.434 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.288 -8.859 5.751 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.162 -7.507 6.762 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.800 -8.967 7.490 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.528 -9.304 8.624 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.048 -7.734 8.013 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -9.256 -8.374 10.010 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -7.892 -7.294 10.218 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -10.070 -6.179 9.745 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -8.818 -5.746 8.681 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -10.018 -6.839 8.181 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.908 -11.191 3.730 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.109 -11.782 2.618 1.00 0.47 C ATOM 1320 C VAL A 81 -7.854 -11.599 1.302 1.00 0.45 C ATOM 1321 O VAL A 81 -7.261 -11.507 0.250 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.917 -13.279 2.869 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -6.003 -13.866 1.792 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.286 -13.493 4.245 1.00 0.56 C ATOM 0 H VAL A 81 -8.062 -11.811 4.525 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.140 -11.284 2.569 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.886 -13.777 2.834 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.867 -14.932 1.972 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.455 -13.718 0.811 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.035 -13.366 1.824 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -6.150 -14.560 4.421 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.318 -12.993 4.283 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.939 -13.079 5.013 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.153 -11.558 1.355 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.949 -11.396 0.103 1.00 0.44 C ATOM 1336 C LEU A 82 -10.035 -9.927 -0.259 1.00 0.38 C ATOM 1337 O LEU A 82 -9.998 -9.558 -1.408 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.362 -11.959 0.318 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.063 -12.174 -1.040 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.663 -13.529 -1.638 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.583 -12.147 -0.844 1.00 0.54 C ATOM 0 H LEU A 82 -9.702 -11.630 2.211 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.463 -11.938 -0.708 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.307 -12.903 0.860 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.945 -11.273 0.932 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.759 -11.377 -1.718 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.165 -13.667 -2.596 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.584 -13.557 -1.787 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.956 -14.328 -0.957 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.076 -12.299 -1.804 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.875 -12.940 -0.156 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.880 -11.182 -0.432 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.145 -9.090 0.709 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.221 -7.648 0.430 1.00 0.32 C ATOM 1355 C ASN A 83 -8.933 -7.243 -0.295 1.00 0.31 C ATOM 1356 O ASN A 83 -8.925 -6.380 -1.158 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.349 -6.915 1.783 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.368 -5.780 1.686 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.012 -4.629 1.529 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.634 -6.070 1.777 1.00 0.36 N ATOM 0 H ASN A 83 -10.186 -9.344 1.696 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.076 -7.393 -0.196 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.654 -7.619 2.557 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.379 -6.516 2.080 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.333 -5.329 1.716 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.927 -7.038 1.909 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.840 -7.878 0.046 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.544 -7.532 -0.621 1.00 0.37 C ATOM 1369 C VAL A 84 -6.384 -8.326 -1.902 1.00 0.39 C ATOM 1370 O VAL A 84 -5.873 -7.832 -2.873 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.351 -7.811 0.295 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.075 -7.329 -0.407 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.532 -7.053 1.618 1.00 0.40 C ATOM 0 H VAL A 84 -7.787 -8.614 0.750 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.567 -6.466 -0.847 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.280 -8.878 0.505 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.213 -7.520 0.233 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.954 -7.864 -1.349 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.150 -6.260 -0.604 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.682 -7.252 2.271 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.594 -5.983 1.419 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.449 -7.385 2.105 1.00 0.40 H new ATOM 1383 N SER A 85 -6.810 -9.547 -1.924 1.00 0.41 N ATOM 1384 CA SER A 85 -6.672 -10.336 -3.173 1.00 0.46 C ATOM 1385 C SER A 85 -7.503 -9.644 -4.247 1.00 0.42 C ATOM 1386 O SER A 85 -7.258 -9.754 -5.428 1.00 0.45 O ATOM 1387 CB SER A 85 -7.193 -11.757 -2.950 1.00 0.50 C ATOM 1388 OG SER A 85 -6.494 -12.349 -1.863 1.00 0.53 O ATOM 0 H SER A 85 -7.245 -10.034 -1.140 1.00 0.41 H new ATOM 0 HA SER A 85 -5.626 -10.397 -3.475 1.00 0.46 H new ATOM 0 HB2 SER A 85 -8.263 -11.736 -2.741 1.00 0.50 H new ATOM 0 HB3 SER A 85 -7.056 -12.353 -3.853 1.00 0.50 H new ATOM 0 HG SER A 85 -7.038 -12.285 -1.050 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.491 -8.923 -3.819 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.379 -8.208 -4.763 1.00 0.36 C ATOM 1396 C PHE A 86 -8.662 -6.973 -5.294 1.00 0.34 C ATOM 1397 O PHE A 86 -8.486 -6.795 -6.476 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.644 -7.794 -4.009 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.424 -6.733 -4.763 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.439 -6.713 -6.164 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.143 -5.771 -4.045 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.173 -5.733 -6.842 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.875 -4.790 -4.723 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.891 -4.771 -6.122 1.00 0.32 C ATOM 0 H PHE A 86 -8.725 -8.796 -2.834 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.641 -8.851 -5.603 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.276 -8.668 -3.852 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.373 -7.415 -3.024 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.884 -7.454 -6.721 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.133 -5.786 -2.965 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.185 -5.719 -7.922 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.428 -4.048 -4.166 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.457 -4.015 -6.646 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.239 -6.114 -4.429 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.524 -4.903 -4.910 1.00 0.33 C ATOM 1416 C ALA A 87 -6.343 -5.373 -5.757 1.00 0.38 C ATOM 1417 O ALA A 87 -5.946 -4.740 -6.714 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.020 -4.089 -3.719 1.00 0.35 C ATOM 0 H ALA A 87 -8.352 -6.189 -3.418 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.190 -4.271 -5.498 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.497 -3.203 -4.079 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.866 -3.785 -3.102 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.337 -4.697 -3.125 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.809 -6.513 -5.418 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.679 -7.077 -6.177 1.00 0.48 C ATOM 1426 C PHE A 88 -5.222 -7.611 -7.484 1.00 0.48 C ATOM 1427 O PHE A 88 -4.502 -7.803 -8.432 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.059 -8.217 -5.369 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.085 -8.992 -6.225 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.570 -9.923 -7.146 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.707 -8.785 -6.098 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.682 -10.650 -7.945 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.815 -9.511 -6.897 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.303 -10.444 -7.821 1.00 0.74 C ATOM 0 H PHE A 88 -6.120 -7.082 -4.631 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.918 -6.320 -6.367 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.547 -7.816 -4.494 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.842 -8.881 -5.003 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.634 -10.082 -7.241 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.332 -8.066 -5.385 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -3.060 -11.369 -8.657 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.249 -9.352 -6.801 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.616 -11.004 -8.437 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.493 -7.882 -7.533 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.072 -8.422 -8.795 1.00 0.46 C ATOM 1446 C GLU A 89 -7.276 -7.258 -9.768 1.00 0.43 C ATOM 1447 O GLU A 89 -6.899 -7.327 -10.925 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.404 -9.132 -8.483 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.143 -10.610 -8.172 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.963 -11.391 -9.477 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.819 -11.274 -10.338 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -6.972 -12.094 -9.592 1.00 0.60 O ATOM 0 H GLU A 89 -7.152 -7.756 -6.765 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.402 -9.151 -9.251 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.892 -8.653 -7.634 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.082 -9.044 -9.332 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.252 -10.709 -7.553 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.975 -11.023 -7.602 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.831 -6.175 -9.303 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.020 -5.008 -10.199 1.00 0.37 C ATOM 1461 C LEU A 90 -6.646 -4.417 -10.498 1.00 0.41 C ATOM 1462 O LEU A 90 -6.473 -3.675 -11.445 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.907 -3.954 -9.510 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.396 -4.248 -9.765 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.240 -3.401 -8.808 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.779 -3.911 -11.224 1.00 0.36 C ATOM 0 H LEU A 90 -8.160 -6.050 -8.346 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.509 -5.316 -11.123 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.710 -3.950 -8.438 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.658 -2.961 -9.884 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.582 -5.309 -9.596 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.297 -3.602 -8.980 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.986 -3.653 -7.778 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -11.038 -2.344 -8.983 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.836 -4.127 -11.382 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.592 -2.854 -11.414 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.180 -4.514 -11.906 1.00 0.36 H new ATOM 1478 N MET A 91 -5.657 -4.750 -9.709 1.00 0.43 N ATOM 1479 CA MET A 91 -4.293 -4.204 -9.982 1.00 0.49 C ATOM 1480 C MET A 91 -3.625 -5.096 -11.013 1.00 0.54 C ATOM 1481 O MET A 91 -3.112 -4.636 -12.014 1.00 0.58 O ATOM 1482 CB MET A 91 -3.459 -4.181 -8.703 1.00 0.52 C ATOM 1483 CG MET A 91 -3.927 -3.040 -7.790 1.00 0.48 C ATOM 1484 SD MET A 91 -3.460 -3.411 -6.081 1.00 0.55 S ATOM 1485 CE MET A 91 -3.914 -1.811 -5.368 1.00 0.60 C ATOM 0 H MET A 91 -5.731 -5.366 -8.900 1.00 0.43 H new ATOM 0 HA MET A 91 -4.373 -3.182 -10.354 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.550 -5.134 -8.183 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.405 -4.052 -8.949 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.477 -2.099 -8.106 1.00 0.48 H new ATOM 0 HG3 MET A 91 -5.008 -2.918 -7.866 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.485 -1.722 -4.370 1.00 0.60 H new ATOM 0 HE2 MET A 91 -3.532 -1.009 -6.000 1.00 0.60 H new ATOM 0 HE3 MET A 91 -5.000 -1.736 -5.304 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.652 -6.380 -10.792 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.047 -7.313 -11.778 1.00 0.62 C ATOM 1497 C GLN A 92 -3.609 -6.959 -13.149 1.00 0.61 C ATOM 1498 O GLN A 92 -2.962 -7.120 -14.164 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.414 -8.757 -11.426 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.706 -9.713 -12.389 1.00 0.66 C ATOM 1501 CD GLN A 92 -3.083 -11.156 -12.050 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -2.779 -11.638 -10.977 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -3.735 -11.871 -12.925 1.00 0.67 N ATOM 0 H GLN A 92 -4.067 -6.822 -9.972 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.961 -7.224 -11.771 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -3.123 -8.977 -10.399 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.493 -8.895 -11.488 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.988 -9.485 -13.417 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -1.626 -9.583 -12.318 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -3.990 -11.466 -13.826 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -3.990 -12.835 -12.708 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.813 -6.447 -13.175 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.420 -6.046 -14.471 1.00 0.54 C ATOM 1514 C ASP A 93 -4.899 -4.657 -14.819 1.00 0.55 C ATOM 1515 O ASP A 93 -4.335 -4.430 -15.871 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.953 -6.018 -14.322 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.626 -6.439 -15.634 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.524 -7.604 -15.983 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -8.233 -5.589 -16.265 1.00 0.75 O ATOM 0 H ASP A 93 -5.398 -6.291 -12.354 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.159 -6.750 -15.261 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.259 -6.687 -13.518 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.279 -5.016 -14.044 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.077 -3.733 -13.925 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.585 -2.354 -14.174 1.00 0.61 C ATOM 1526 C GLY A 94 -3.067 -2.389 -14.364 1.00 0.73 C ATOM 1527 O GLY A 94 -2.442 -1.371 -14.588 1.00 0.82 O ATOM 0 H GLY A 94 -5.544 -3.872 -13.029 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.065 -1.938 -15.060 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.844 -1.706 -13.337 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.467 -3.560 -14.284 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.979 -3.667 -14.470 1.00 0.94 C ATOM 1533 C GLY A 95 -0.350 -4.467 -13.321 1.00 0.92 C ATOM 1534 O GLY A 95 -0.669 -5.618 -13.106 1.00 0.91 O ATOM 0 H GLY A 95 -2.943 -4.443 -14.098 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.759 -4.152 -15.421 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.539 -2.671 -14.511 1.00 0.94 H new ATOM 1538 N LEU A 96 0.554 -3.858 -12.594 1.00 0.92 N ATOM 1539 CA LEU A 96 1.232 -4.561 -11.464 1.00 0.91 C ATOM 1540 C LEU A 96 1.965 -5.792 -11.993 1.00 0.94 C ATOM 1541 O LEU A 96 3.169 -5.793 -12.160 1.00 0.95 O ATOM 1542 CB LEU A 96 0.193 -4.974 -10.412 1.00 0.89 C ATOM 1543 CG LEU A 96 0.898 -5.380 -9.098 1.00 0.87 C ATOM 1544 CD1 LEU A 96 1.196 -4.139 -8.246 1.00 0.93 C ATOM 1545 CD2 LEU A 96 -0.006 -6.325 -8.298 1.00 0.86 C ATOM 0 H LEU A 96 0.853 -2.894 -12.738 1.00 0.92 H new ATOM 0 HA LEU A 96 1.955 -3.890 -11.000 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.494 -4.149 -10.225 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.403 -5.806 -10.786 1.00 0.89 H new ATOM 0 HG LEU A 96 1.834 -5.880 -9.347 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.693 -4.441 -7.324 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.845 -3.463 -8.803 1.00 0.93 H new ATOM 0 HD13 LEU A 96 0.263 -3.630 -8.005 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.494 -6.610 -7.372 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -0.943 -5.820 -8.064 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.212 -7.218 -8.888 1.00 0.86 H new ATOM 1557 N GLU A 97 1.242 -6.827 -12.267 1.00 0.96 N ATOM 1558 CA GLU A 97 1.863 -8.074 -12.802 1.00 1.00 C ATOM 1559 C GLU A 97 3.094 -8.464 -11.973 1.00 0.99 C ATOM 1560 O GLU A 97 3.430 -7.831 -10.992 1.00 0.99 O ATOM 1561 CB GLU A 97 2.291 -7.844 -14.254 1.00 1.05 C ATOM 1562 CG GLU A 97 1.052 -7.724 -15.143 1.00 1.13 C ATOM 1563 CD GLU A 97 1.458 -7.173 -16.511 1.00 1.25 C ATOM 1564 OE1 GLU A 97 2.633 -6.901 -16.693 1.00 1.27 O ATOM 1565 OE2 GLU A 97 0.587 -7.032 -17.354 1.00 1.37 O ATOM 0 H GLU A 97 0.230 -6.872 -12.144 1.00 0.96 H new ATOM 0 HA GLU A 97 1.130 -8.879 -12.747 1.00 1.00 H new ATOM 0 HB2 GLU A 97 2.892 -6.938 -14.327 1.00 1.05 H new ATOM 0 HB3 GLU A 97 2.916 -8.669 -14.594 1.00 1.05 H new ATOM 0 HG2 GLU A 97 0.578 -8.699 -15.258 1.00 1.13 H new ATOM 0 HG3 GLU A 97 0.319 -7.066 -14.677 1.00 1.13 H new ATOM 1572 N LYS A 98 3.765 -9.510 -12.379 1.00 1.02 N ATOM 1573 CA LYS A 98 4.984 -9.977 -11.653 1.00 1.01 C ATOM 1574 C LYS A 98 4.789 -9.903 -10.130 1.00 1.00 C ATOM 1575 O LYS A 98 5.440 -9.116 -9.471 1.00 1.04 O ATOM 1576 CB LYS A 98 6.172 -9.099 -12.053 1.00 1.08 C ATOM 1577 CG LYS A 98 6.559 -9.394 -13.505 1.00 1.09 C ATOM 1578 CD LYS A 98 7.462 -8.278 -14.034 1.00 1.13 C ATOM 1579 CE LYS A 98 7.951 -8.641 -15.437 1.00 1.16 C ATOM 1580 NZ LYS A 98 8.910 -7.604 -15.913 1.00 1.18 N ATOM 0 H LYS A 98 3.516 -10.069 -13.195 1.00 1.02 H new ATOM 0 HA LYS A 98 5.169 -11.016 -11.924 1.00 1.01 H new ATOM 0 HB2 LYS A 98 5.914 -8.046 -11.941 1.00 1.08 H new ATOM 0 HB3 LYS A 98 7.018 -9.291 -11.394 1.00 1.08 H new ATOM 0 HG2 LYS A 98 7.075 -10.352 -13.567 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.664 -9.474 -14.121 1.00 1.09 H new ATOM 0 HD2 LYS A 98 6.916 -7.335 -14.060 1.00 1.13 H new ATOM 0 HD3 LYS A 98 8.312 -8.136 -13.366 1.00 1.13 H new ATOM 0 HE2 LYS A 98 8.433 -9.619 -15.424 1.00 1.16 H new ATOM 0 HE3 LYS A 98 7.106 -8.711 -16.121 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 9.243 -7.851 -16.867 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 8.436 -6.679 -15.940 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 9.722 -7.558 -15.264 1.00 1.18 H new ATOM 1594 N PRO A 99 3.913 -10.733 -9.605 1.00 0.93 N ATOM 1595 CA PRO A 99 3.654 -10.771 -8.152 1.00 0.91 C ATOM 1596 C PRO A 99 4.862 -11.377 -7.424 1.00 0.98 C ATOM 1597 O PRO A 99 5.707 -12.012 -8.024 1.00 1.02 O ATOM 1598 CB PRO A 99 2.413 -11.678 -7.993 1.00 0.84 C ATOM 1599 CG PRO A 99 2.098 -12.285 -9.394 1.00 0.82 C ATOM 1600 CD PRO A 99 3.106 -11.683 -10.401 1.00 0.88 C ATOM 0 HA PRO A 99 3.489 -9.780 -7.730 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.605 -12.468 -7.267 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.563 -11.105 -7.623 1.00 0.84 H new ATOM 0 HG2 PRO A 99 2.184 -13.371 -9.369 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.075 -12.053 -9.691 1.00 0.82 H new ATOM 0 HD2 PRO A 99 3.731 -12.457 -10.846 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.594 -11.178 -11.220 1.00 0.88 H new ATOM 1608 N LYS A 100 4.938 -11.196 -6.131 1.00 0.98 N ATOM 1609 CA LYS A 100 6.074 -11.768 -5.350 1.00 1.05 C ATOM 1610 C LYS A 100 5.568 -12.277 -3.973 1.00 1.02 C ATOM 1611 O LYS A 100 5.835 -13.412 -3.632 1.00 1.04 O ATOM 1612 CB LYS A 100 7.185 -10.695 -5.193 1.00 1.11 C ATOM 1613 CG LYS A 100 8.502 -11.145 -5.859 1.00 1.18 C ATOM 1614 CD LYS A 100 9.229 -12.167 -4.963 1.00 1.25 C ATOM 1615 CE LYS A 100 10.125 -11.442 -3.947 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.391 -12.343 -2.790 1.00 1.30 N ATOM 0 H LYS A 100 4.257 -10.673 -5.580 1.00 0.98 H new ATOM 0 HA LYS A 100 6.498 -12.621 -5.881 1.00 1.05 H new ATOM 0 HB2 LYS A 100 6.852 -9.757 -5.638 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.359 -10.501 -4.134 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.293 -11.588 -6.833 1.00 1.18 H new ATOM 0 HG3 LYS A 100 9.144 -10.281 -6.033 1.00 1.18 H new ATOM 0 HD2 LYS A 100 8.500 -12.785 -4.439 1.00 1.25 H new ATOM 0 HD3 LYS A 100 9.832 -12.836 -5.577 1.00 1.25 H new ATOM 0 HE2 LYS A 100 11.064 -11.149 -4.417 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.640 -10.527 -3.606 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 11.377 -12.228 -2.480 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 9.752 -12.100 -2.007 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.230 -13.330 -3.075 1.00 1.30 H new ATOM 1630 N PRO A 101 4.856 -11.458 -3.207 1.00 0.97 N ATOM 1631 CA PRO A 101 4.344 -11.880 -1.892 1.00 0.95 C ATOM 1632 C PRO A 101 2.923 -12.431 -2.110 1.00 0.89 C ATOM 1633 O PRO A 101 2.588 -12.828 -3.209 1.00 0.89 O ATOM 1634 CB PRO A 101 4.347 -10.564 -1.108 1.00 0.92 C ATOM 1635 CG PRO A 101 4.111 -9.456 -2.150 1.00 0.92 C ATOM 1636 CD PRO A 101 4.488 -10.056 -3.530 1.00 0.95 C ATOM 0 HA PRO A 101 4.909 -12.657 -1.377 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.565 -10.559 -0.348 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.295 -10.419 -0.591 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.071 -9.131 -2.140 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.721 -8.580 -1.929 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.653 -10.011 -4.229 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.318 -9.518 -3.989 1.00 0.95 H new ATOM 1644 N ARG A 102 2.084 -12.466 -1.102 1.00 0.84 N ATOM 1645 CA ARG A 102 0.693 -12.998 -1.293 1.00 0.79 C ATOM 1646 C ARG A 102 -0.315 -12.117 -0.520 1.00 0.71 C ATOM 1647 O ARG A 102 0.027 -11.610 0.526 1.00 0.71 O ATOM 1648 CB ARG A 102 0.647 -14.427 -0.754 1.00 0.83 C ATOM 1649 CG ARG A 102 1.886 -15.174 -1.246 1.00 0.92 C ATOM 1650 CD ARG A 102 1.691 -16.686 -1.068 1.00 0.96 C ATOM 1651 NE ARG A 102 3.026 -17.361 -0.967 1.00 1.05 N ATOM 1652 CZ ARG A 102 3.954 -17.175 -1.869 1.00 1.11 C ATOM 1653 NH1 ARG A 102 3.680 -16.553 -2.983 1.00 1.09 N ATOM 1654 NH2 ARG A 102 5.148 -17.668 -1.681 1.00 1.18 N ATOM 0 H ARG A 102 2.300 -12.150 -0.156 1.00 0.84 H new ATOM 0 HA ARG A 102 0.429 -12.986 -2.351 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.618 -14.420 0.336 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.258 -14.931 -1.094 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.067 -14.943 -2.296 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.764 -14.844 -0.691 1.00 0.92 H new ATOM 0 HD2 ARG A 102 1.105 -16.883 -0.171 1.00 0.96 H new ATOM 0 HD3 ARG A 102 1.131 -17.092 -1.911 1.00 0.96 H new ATOM 0 HE ARG A 102 3.214 -17.979 -0.177 1.00 1.05 H new ATOM 0 HH11 ARG A 102 2.736 -16.208 -3.155 1.00 1.09 H new ATOM 0 HH12 ARG A 102 4.410 -16.412 -3.681 1.00 1.09 H new ATOM 0 HH21 ARG A 102 5.354 -18.196 -0.833 1.00 1.18 H new ATOM 0 HH22 ARG A 102 5.875 -17.525 -2.382 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.534 -11.966 -1.038 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.578 -11.148 -0.378 1.00 0.59 C ATOM 1670 C PRO A 103 -2.538 -11.352 1.136 1.00 0.59 C ATOM 1671 O PRO A 103 -2.829 -10.457 1.904 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.894 -11.650 -0.997 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.510 -12.349 -2.328 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.984 -12.601 -2.292 1.00 0.67 C ATOM 0 HA PRO A 103 -2.446 -10.077 -0.529 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.400 -12.344 -0.325 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.580 -10.822 -1.176 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.052 -13.288 -2.439 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.776 -11.724 -3.181 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.757 -13.667 -2.301 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.489 -12.163 -3.159 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.152 -12.514 1.565 1.00 0.64 N ATOM 1683 CA GLU A 104 -2.060 -12.771 3.022 1.00 0.65 C ATOM 1684 C GLU A 104 -0.850 -12.015 3.543 1.00 0.67 C ATOM 1685 O GLU A 104 -0.946 -11.181 4.418 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.860 -14.269 3.264 1.00 0.71 C ATOM 1687 CG GLU A 104 -3.092 -15.035 2.785 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.874 -16.535 2.992 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.728 -16.937 3.107 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -3.857 -17.256 3.031 1.00 0.82 O ATOM 0 H GLU A 104 -1.895 -13.300 0.968 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.969 -12.448 3.528 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.974 -14.618 2.734 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.692 -14.457 4.324 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.974 -14.706 3.334 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -3.276 -14.826 1.731 1.00 0.71 H new ATOM 1697 N ASP A 105 0.284 -12.302 2.974 1.00 0.73 N ATOM 1698 CA ASP A 105 1.548 -11.636 3.368 1.00 0.78 C ATOM 1699 C ASP A 105 1.305 -10.138 3.559 1.00 0.73 C ATOM 1700 O ASP A 105 1.994 -9.475 4.298 1.00 0.77 O ATOM 1701 CB ASP A 105 2.566 -11.866 2.249 1.00 0.83 C ATOM 1702 CG ASP A 105 2.630 -13.358 1.912 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.764 -14.088 2.362 1.00 0.86 O ATOM 1704 OD2 ASP A 105 3.553 -13.744 1.215 1.00 0.94 O ATOM 0 H ASP A 105 0.387 -12.992 2.230 1.00 0.73 H new ATOM 0 HA ASP A 105 1.921 -12.045 4.307 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.284 -11.295 1.364 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.549 -11.510 2.559 1.00 0.83 H new ATOM 1709 N ILE A 106 0.312 -9.605 2.915 1.00 0.67 N ATOM 1710 CA ILE A 106 0.009 -8.151 3.080 1.00 0.64 C ATOM 1711 C ILE A 106 -0.835 -8.000 4.348 1.00 0.59 C ATOM 1712 O ILE A 106 -0.386 -7.486 5.352 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.775 -7.632 1.854 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.381 -8.420 0.599 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.481 -6.149 1.618 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.125 -8.292 0.337 1.00 0.72 C ATOM 0 H ILE A 106 -0.307 -10.108 2.280 1.00 0.67 H new ATOM 0 HA ILE A 106 0.929 -7.572 3.161 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.838 -7.765 2.053 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.647 -9.470 0.723 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.939 -8.049 -0.261 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -1.042 -5.800 0.751 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.777 -5.575 2.496 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.586 -6.014 1.439 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.388 -8.857 -0.557 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.381 -7.243 0.191 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.677 -8.685 1.190 1.00 0.72 H new ATOM 1728 N VAL A 107 -2.052 -8.484 4.307 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.942 -8.422 5.507 1.00 0.51 C ATOM 1730 C VAL A 107 -2.129 -8.848 6.734 1.00 0.53 C ATOM 1731 O VAL A 107 -2.391 -8.443 7.849 1.00 0.50 O ATOM 1732 CB VAL A 107 -4.076 -9.441 5.289 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.875 -9.703 6.578 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.011 -8.931 4.200 1.00 0.46 C ATOM 0 H VAL A 107 -2.470 -8.923 3.487 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.340 -7.418 5.654 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.623 -10.385 4.987 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.664 -10.428 6.376 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.209 -10.096 7.346 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.319 -8.771 6.926 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.815 -9.651 4.044 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.435 -7.974 4.503 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.453 -8.803 3.272 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.155 -9.693 6.519 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.316 -10.201 7.644 1.00 0.63 C ATOM 1746 C ASN A 108 0.365 -9.033 8.369 1.00 0.63 C ATOM 1747 O ASN A 108 1.161 -9.229 9.266 1.00 0.66 O ATOM 1748 CB ASN A 108 0.759 -11.158 7.078 1.00 0.69 C ATOM 1749 CG ASN A 108 1.130 -12.213 8.126 1.00 1.07 C ATOM 1750 OD1 ASN A 108 2.067 -12.035 8.879 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.430 -13.312 8.205 1.00 1.35 N ATOM 0 H ASN A 108 -0.902 -10.057 5.600 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.950 -10.731 8.355 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.385 -11.645 6.177 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.645 -10.592 6.791 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.670 -14.021 8.898 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.357 -13.462 7.573 1.00 1.35 H new ATOM 1758 N CYS A 109 0.054 -7.825 7.997 1.00 0.61 N ATOM 1759 CA CYS A 109 0.676 -6.655 8.675 1.00 0.63 C ATOM 1760 C CYS A 109 2.201 -6.779 8.633 1.00 0.70 C ATOM 1761 O CYS A 109 2.907 -5.956 9.181 1.00 0.85 O ATOM 1762 CB CYS A 109 0.212 -6.610 10.133 1.00 0.62 C ATOM 1763 SG CYS A 109 0.669 -5.017 10.862 1.00 0.66 S ATOM 0 H CYS A 109 -0.604 -7.596 7.252 1.00 0.61 H new ATOM 0 HA CYS A 109 0.376 -5.741 8.163 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.868 -6.750 10.187 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.668 -7.424 10.696 1.00 0.62 H new ATOM 0 HG CYS A 109 1.864 -4.687 10.470 1.00 0.66 H new ATOM 1769 N ASP A 110 2.726 -7.790 7.989 1.00 0.72 N ATOM 1770 CA ASP A 110 4.199 -7.921 7.933 1.00 0.79 C ATOM 1771 C ASP A 110 4.757 -6.742 7.154 1.00 0.81 C ATOM 1772 O ASP A 110 4.034 -5.987 6.535 1.00 0.80 O ATOM 1773 CB ASP A 110 4.607 -9.234 7.257 1.00 0.84 C ATOM 1774 CG ASP A 110 4.038 -9.296 5.843 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.742 -8.248 5.294 1.00 0.98 O ATOM 1776 OD2 ASP A 110 3.908 -10.395 5.329 1.00 0.88 O ATOM 0 H ASP A 110 2.200 -8.519 7.507 1.00 0.72 H new ATOM 0 HA ASP A 110 4.599 -7.929 8.947 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.694 -9.312 7.224 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.244 -10.080 7.840 1.00 0.84 H new ATOM 1781 N LEU A 111 6.036 -6.582 7.188 1.00 0.89 N ATOM 1782 CA LEU A 111 6.684 -5.461 6.468 1.00 0.93 C ATOM 1783 C LEU A 111 7.222 -5.972 5.134 1.00 0.97 C ATOM 1784 O LEU A 111 6.823 -5.545 4.085 1.00 0.96 O ATOM 1785 CB LEU A 111 7.838 -4.936 7.340 1.00 1.02 C ATOM 1786 CG LEU A 111 7.308 -3.912 8.349 1.00 1.06 C ATOM 1787 CD1 LEU A 111 6.269 -4.575 9.255 1.00 1.09 C ATOM 1788 CD2 LEU A 111 8.467 -3.391 9.200 1.00 1.12 C ATOM 0 H LEU A 111 6.678 -7.192 7.694 1.00 0.89 H new ATOM 0 HA LEU A 111 5.972 -4.658 6.277 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.314 -5.764 7.865 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.601 -4.478 6.711 1.00 1.02 H new ATOM 0 HG LEU A 111 6.845 -3.082 7.815 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.893 -3.845 9.972 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.443 -4.947 8.649 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.730 -5.405 9.790 1.00 1.09 H new ATOM 0 HD21 LEU A 111 8.092 -2.662 9.919 1.00 1.12 H new ATOM 0 HD22 LEU A 111 8.929 -4.222 9.733 1.00 1.12 H new ATOM 0 HD23 LEU A 111 9.207 -2.917 8.555 1.00 1.12 H new ATOM 1800 N LYS A 112 8.143 -6.877 5.203 1.00 1.00 N ATOM 1801 CA LYS A 112 8.793 -7.447 3.989 1.00 1.04 C ATOM 1802 C LYS A 112 7.885 -7.487 2.759 1.00 1.02 C ATOM 1803 O LYS A 112 8.034 -6.718 1.828 1.00 1.04 O ATOM 1804 CB LYS A 112 9.200 -8.878 4.343 1.00 1.06 C ATOM 1805 CG LYS A 112 10.054 -9.496 3.209 1.00 1.12 C ATOM 1806 CD LYS A 112 11.249 -10.262 3.797 1.00 1.15 C ATOM 1807 CE LYS A 112 11.823 -11.209 2.741 1.00 1.20 C ATOM 1808 NZ LYS A 112 10.866 -12.327 2.507 1.00 1.17 N ATOM 0 H LYS A 112 8.489 -7.264 6.081 1.00 1.00 H new ATOM 0 HA LYS A 112 9.635 -6.808 3.722 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.765 -8.881 5.275 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.310 -9.485 4.508 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.442 -10.169 2.609 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.410 -8.710 2.543 1.00 1.12 H new ATOM 0 HD2 LYS A 112 12.016 -9.561 4.127 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.935 -10.827 4.675 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.003 -10.669 1.811 1.00 1.20 H new ATOM 0 HE3 LYS A 112 12.784 -11.602 3.073 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 11.214 -12.925 1.730 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 10.781 -12.898 3.372 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 9.934 -11.939 2.255 1.00 1.17 H new ATOM 1822 N SER A 113 6.983 -8.400 2.739 1.00 0.98 N ATOM 1823 CA SER A 113 6.080 -8.555 1.570 1.00 0.96 C ATOM 1824 C SER A 113 5.300 -7.260 1.296 1.00 0.92 C ATOM 1825 O SER A 113 5.358 -6.683 0.231 1.00 0.94 O ATOM 1826 CB SER A 113 5.103 -9.668 1.941 1.00 0.92 C ATOM 1827 OG SER A 113 5.061 -9.784 3.357 1.00 0.90 O ATOM 0 H SER A 113 6.821 -9.065 3.495 1.00 0.98 H new ATOM 0 HA SER A 113 6.650 -8.786 0.670 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.110 -9.445 1.551 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.417 -10.611 1.494 1.00 0.92 H new ATOM 0 HG SER A 113 4.152 -10.018 3.639 1.00 0.90 H new ATOM 1833 N THR A 114 4.555 -6.834 2.256 1.00 0.88 N ATOM 1834 CA THR A 114 3.728 -5.602 2.111 1.00 0.85 C ATOM 1835 C THR A 114 4.528 -4.505 1.391 1.00 0.89 C ATOM 1836 O THR A 114 4.014 -3.783 0.560 1.00 0.89 O ATOM 1837 CB THR A 114 3.275 -5.165 3.533 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.872 -4.947 3.527 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.979 -3.880 4.001 1.00 0.84 C ATOM 0 H THR A 114 4.475 -7.293 3.164 1.00 0.88 H new ATOM 0 HA THR A 114 2.846 -5.792 1.500 1.00 0.85 H new ATOM 0 HB THR A 114 3.544 -5.963 4.225 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.580 -4.673 4.421 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.629 -3.616 4.999 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.056 -4.044 4.026 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.751 -3.068 3.310 1.00 0.84 H new ATOM 1847 N LEU A 115 5.774 -4.385 1.715 1.00 0.95 N ATOM 1848 CA LEU A 115 6.627 -3.347 1.084 1.00 1.00 C ATOM 1849 C LEU A 115 6.856 -3.699 -0.381 1.00 1.02 C ATOM 1850 O LEU A 115 6.834 -2.845 -1.231 1.00 1.02 O ATOM 1851 CB LEU A 115 7.977 -3.289 1.835 1.00 1.06 C ATOM 1852 CG LEU A 115 7.922 -2.250 2.995 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.653 -2.797 4.224 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.592 -0.939 2.558 1.00 1.06 C ATOM 0 H LEU A 115 6.250 -4.970 2.402 1.00 0.95 H new ATOM 0 HA LEU A 115 6.138 -2.374 1.139 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.218 -4.274 2.234 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.773 -3.023 1.140 1.00 1.06 H new ATOM 0 HG LEU A 115 6.878 -2.062 3.244 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.609 -2.064 5.030 1.00 1.09 H new ATOM 0 HD12 LEU A 115 8.177 -3.722 4.549 1.00 1.09 H new ATOM 0 HD13 LEU A 115 9.694 -2.995 3.970 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.549 -0.219 3.375 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.633 -1.131 2.298 1.00 1.06 H new ATOM 0 HD23 LEU A 115 8.070 -0.535 1.690 1.00 1.06 H new ATOM 1866 N ARG A 116 7.067 -4.941 -0.694 1.00 1.03 N ATOM 1867 CA ARG A 116 7.290 -5.295 -2.118 1.00 1.05 C ATOM 1868 C ARG A 116 6.113 -4.749 -2.950 1.00 1.01 C ATOM 1869 O ARG A 116 6.294 -4.082 -3.949 1.00 1.04 O ATOM 1870 CB ARG A 116 7.371 -6.829 -2.223 1.00 1.04 C ATOM 1871 CG ARG A 116 8.844 -7.319 -2.219 1.00 1.10 C ATOM 1872 CD ARG A 116 8.931 -8.707 -1.571 1.00 1.10 C ATOM 1873 NE ARG A 116 10.332 -9.208 -1.649 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.710 -10.206 -0.897 1.00 1.17 C ATOM 1875 NH1 ARG A 116 9.863 -10.762 -0.074 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.937 -10.647 -0.967 1.00 1.23 N ATOM 0 H ARG A 116 7.095 -5.719 -0.035 1.00 1.03 H new ATOM 0 HA ARG A 116 8.216 -4.861 -2.496 1.00 1.05 H new ATOM 0 HB2 ARG A 116 6.833 -7.281 -1.390 1.00 1.04 H new ATOM 0 HB3 ARG A 116 6.878 -7.159 -3.137 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.226 -7.360 -3.239 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.470 -6.613 -1.673 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.610 -8.654 -0.531 1.00 1.10 H new ATOM 0 HD3 ARG A 116 8.258 -9.399 -2.078 1.00 1.10 H new ATOM 0 HE ARG A 116 10.995 -8.772 -2.289 1.00 1.16 H new ATOM 0 HH11 ARG A 116 8.905 -10.417 -0.018 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.159 -11.542 0.513 1.00 1.13 H new ATOM 0 HH21 ARG A 116 12.600 -10.212 -1.609 1.00 1.23 H new ATOM 0 HH22 ARG A 116 12.233 -11.427 -0.380 1.00 1.23 H new ATOM 1890 N VAL A 117 4.914 -5.043 -2.534 1.00 0.95 N ATOM 1891 CA VAL A 117 3.700 -4.578 -3.270 1.00 0.91 C ATOM 1892 C VAL A 117 3.583 -3.058 -3.262 1.00 0.92 C ATOM 1893 O VAL A 117 3.407 -2.436 -4.291 1.00 0.94 O ATOM 1894 CB VAL A 117 2.450 -5.152 -2.596 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.215 -4.806 -3.431 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.580 -6.670 -2.473 1.00 0.85 C ATOM 0 H VAL A 117 4.718 -5.596 -1.700 1.00 0.95 H new ATOM 0 HA VAL A 117 3.788 -4.920 -4.301 1.00 0.91 H new ATOM 0 HB VAL A 117 2.346 -4.721 -1.600 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.325 -5.214 -2.951 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.120 -3.723 -3.509 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.318 -5.234 -4.428 1.00 0.82 H new ATOM 0 HG21 VAL A 117 1.689 -7.074 -1.993 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.688 -7.108 -3.466 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.457 -6.913 -1.873 1.00 0.85 H new ATOM 1906 N LEU A 118 3.643 -2.454 -2.117 1.00 0.91 N ATOM 1907 CA LEU A 118 3.492 -0.974 -2.067 1.00 0.92 C ATOM 1908 C LEU A 118 4.523 -0.341 -2.994 1.00 0.98 C ATOM 1909 O LEU A 118 4.218 0.554 -3.748 1.00 1.00 O ATOM 1910 CB LEU A 118 3.681 -0.466 -0.622 1.00 0.92 C ATOM 1911 CG LEU A 118 2.323 -0.147 0.034 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.616 1.008 -0.714 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.437 -1.407 0.033 1.00 0.81 C ATOM 0 H LEU A 118 3.789 -2.912 -1.217 1.00 0.91 H new ATOM 0 HA LEU A 118 2.490 -0.696 -2.395 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.205 -1.219 -0.034 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.306 0.427 -0.626 1.00 0.92 H new ATOM 0 HG LEU A 118 2.494 0.168 1.063 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.659 1.219 -0.236 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.242 1.900 -0.681 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.448 0.720 -1.752 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.478 -1.178 0.497 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.274 -1.736 -0.993 1.00 0.81 H new ATOM 0 HD23 LEU A 118 1.932 -2.200 0.594 1.00 0.81 H new ATOM 1925 N TYR A 119 5.733 -0.805 -2.956 1.00 1.03 N ATOM 1926 CA TYR A 119 6.768 -0.235 -3.849 1.00 1.09 C ATOM 1927 C TYR A 119 6.243 -0.296 -5.267 1.00 1.08 C ATOM 1928 O TYR A 119 6.195 0.684 -5.973 1.00 1.11 O ATOM 1929 CB TYR A 119 8.029 -1.084 -3.750 1.00 1.13 C ATOM 1930 CG TYR A 119 9.162 -0.391 -4.455 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.860 0.642 -3.822 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.508 -0.784 -5.744 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.912 1.283 -4.487 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.559 -0.148 -6.414 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.263 0.887 -5.785 1.00 1.34 C ATOM 1936 OH TYR A 119 12.299 1.517 -6.443 1.00 1.41 O ATOM 0 H TYR A 119 6.051 -1.556 -2.344 1.00 1.03 H new ATOM 0 HA TYR A 119 6.996 0.793 -3.567 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.286 -1.250 -2.704 1.00 1.13 H new ATOM 0 HB3 TYR A 119 7.856 -2.064 -4.195 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.588 0.945 -2.822 1.00 1.24 H new ATOM 0 HD2 TYR A 119 8.964 -1.582 -6.228 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.452 2.082 -4.001 1.00 1.31 H new ATOM 0 HE2 TYR A 119 10.827 -0.455 -7.414 1.00 1.31 H new ATOM 0 HH TYR A 119 12.411 1.120 -7.332 1.00 1.41 H new ATOM 1946 N ASN A 120 5.838 -1.457 -5.669 1.00 1.06 N ATOM 1947 CA ASN A 120 5.293 -1.643 -7.038 1.00 1.05 C ATOM 1948 C ASN A 120 4.323 -0.487 -7.371 1.00 1.03 C ATOM 1949 O ASN A 120 4.307 0.041 -8.476 1.00 1.05 O ATOM 1950 CB ASN A 120 4.548 -3.000 -7.060 1.00 1.01 C ATOM 1951 CG ASN A 120 4.803 -3.731 -8.385 1.00 1.04 C ATOM 1952 OD1 ASN A 120 5.301 -4.840 -8.395 1.00 1.06 O ATOM 1953 ND2 ASN A 120 4.479 -3.152 -9.509 1.00 1.06 N ATOM 0 H ASN A 120 5.860 -2.303 -5.099 1.00 1.06 H new ATOM 0 HA ASN A 120 6.090 -1.640 -7.781 1.00 1.05 H new ATOM 0 HB2 ASN A 120 4.881 -3.618 -6.227 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.478 -2.837 -6.928 1.00 1.01 H new ATOM 0 HD21 ASN A 120 4.644 -3.630 -10.395 1.00 1.06 H new ATOM 0 HD22 ASN A 120 4.061 -2.222 -9.501 1.00 1.06 H new ATOM 1960 N LEU A 121 3.523 -0.083 -6.421 1.00 0.99 N ATOM 1961 CA LEU A 121 2.568 1.023 -6.685 1.00 0.97 C ATOM 1962 C LEU A 121 3.316 2.348 -6.741 1.00 1.03 C ATOM 1963 O LEU A 121 3.342 2.986 -7.760 1.00 1.05 O ATOM 1964 CB LEU A 121 1.526 1.088 -5.565 1.00 0.92 C ATOM 1965 CG LEU A 121 0.336 0.177 -5.888 1.00 0.87 C ATOM 1966 CD1 LEU A 121 0.829 -1.255 -6.103 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.655 0.205 -4.723 1.00 0.87 C ATOM 0 H LEU A 121 3.492 -0.471 -5.478 1.00 0.99 H new ATOM 0 HA LEU A 121 2.072 0.840 -7.638 1.00 0.97 H new ATOM 0 HB2 LEU A 121 1.978 0.785 -4.621 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.182 2.115 -5.439 1.00 0.92 H new ATOM 0 HG LEU A 121 -0.155 0.530 -6.795 1.00 0.87 H new ATOM 0 HD11 LEU A 121 -0.018 -1.901 -6.332 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.536 -1.276 -6.932 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.321 -1.610 -5.198 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.502 -0.442 -4.950 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.162 -0.148 -3.817 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -1.008 1.225 -4.570 1.00 0.87 H new ATOM 1979 N PHE A 122 3.911 2.778 -5.652 1.00 1.05 N ATOM 1980 CA PHE A 122 4.630 4.075 -5.656 1.00 1.11 C ATOM 1981 C PHE A 122 5.410 4.231 -6.935 1.00 1.16 C ATOM 1982 O PHE A 122 5.627 5.309 -7.425 1.00 1.20 O ATOM 1983 CB PHE A 122 5.606 4.098 -4.461 1.00 1.14 C ATOM 1984 CG PHE A 122 5.787 5.506 -3.977 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.686 6.164 -3.470 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.033 6.142 -4.034 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.804 7.482 -3.005 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.162 7.458 -3.573 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.046 8.129 -3.058 1.00 1.27 C ATOM 0 H PHE A 122 3.925 2.279 -4.763 1.00 1.05 H new ATOM 0 HA PHE A 122 3.912 4.891 -5.578 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.222 3.473 -3.654 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.568 3.680 -4.758 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.730 5.663 -3.431 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.891 5.620 -4.432 1.00 1.25 H new ATOM 0 HE1 PHE A 122 3.941 7.996 -2.608 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.120 7.954 -3.615 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.142 9.144 -2.702 1.00 1.27 H new ATOM 1999 N THR A 123 5.806 3.157 -7.475 1.00 1.15 N ATOM 2000 CA THR A 123 6.577 3.222 -8.729 1.00 1.20 C ATOM 2001 C THR A 123 5.679 3.696 -9.861 1.00 1.18 C ATOM 2002 O THR A 123 5.980 4.641 -10.561 1.00 1.22 O ATOM 2003 CB THR A 123 7.128 1.834 -9.062 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.788 1.302 -7.921 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.119 1.940 -10.223 1.00 1.27 C ATOM 0 H THR A 123 5.636 2.219 -7.112 1.00 1.15 H new ATOM 0 HA THR A 123 7.403 3.923 -8.607 1.00 1.20 H new ATOM 0 HB THR A 123 6.307 1.176 -9.348 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.141 0.821 -7.364 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.510 0.950 -10.459 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.612 2.348 -11.098 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.941 2.598 -9.941 1.00 1.27 H new ATOM 2013 N LYS A 124 4.596 3.022 -10.065 1.00 1.12 N ATOM 2014 CA LYS A 124 3.697 3.380 -11.198 1.00 1.10 C ATOM 2015 C LYS A 124 2.778 4.576 -10.916 1.00 1.10 C ATOM 2016 O LYS A 124 2.239 5.150 -11.843 1.00 1.11 O ATOM 2017 CB LYS A 124 2.839 2.166 -11.507 1.00 1.04 C ATOM 2018 CG LYS A 124 3.734 0.990 -11.888 1.00 1.04 C ATOM 2019 CD LYS A 124 2.910 -0.313 -11.853 1.00 0.99 C ATOM 2020 CE LYS A 124 3.372 -1.240 -12.981 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.565 -2.489 -12.971 1.00 0.92 N ATOM 0 H LYS A 124 4.286 2.233 -9.498 1.00 1.12 H new ATOM 0 HA LYS A 124 4.330 3.674 -12.035 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.231 1.907 -10.640 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.152 2.392 -12.322 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.150 1.143 -12.884 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.575 0.920 -11.198 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.032 -0.807 -10.889 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.849 -0.088 -11.964 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.268 -0.737 -13.942 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.429 -1.478 -12.858 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 3.150 -3.278 -12.630 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 1.746 -2.368 -12.342 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 2.233 -2.696 -13.935 1.00 0.92 H new ATOM 2035 N TYR A 125 2.559 4.956 -9.680 1.00 1.10 N ATOM 2036 CA TYR A 125 1.632 6.108 -9.406 1.00 1.11 C ATOM 2037 C TYR A 125 2.428 7.336 -8.950 1.00 1.17 C ATOM 2038 O TYR A 125 1.906 8.426 -8.868 1.00 1.20 O ATOM 2039 CB TYR A 125 0.624 5.698 -8.330 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.464 4.823 -8.939 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.146 3.575 -9.504 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.797 5.265 -8.938 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.156 2.781 -10.061 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.803 4.467 -9.497 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.482 3.227 -10.058 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.475 2.442 -10.608 1.00 0.86 O ATOM 0 H TYR A 125 2.976 4.526 -8.854 1.00 1.10 H new ATOM 0 HA TYR A 125 1.099 6.368 -10.320 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.132 5.157 -7.532 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.179 6.586 -7.881 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.877 3.229 -9.508 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -2.047 6.222 -8.505 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.911 1.822 -10.494 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.827 4.809 -9.495 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.338 2.899 -10.523 1.00 0.86 H new ATOM 2056 N ARG A 126 3.681 7.164 -8.652 1.00 1.20 N ATOM 2057 CA ARG A 126 4.530 8.298 -8.207 1.00 1.27 C ATOM 2058 C ARG A 126 4.261 9.542 -9.072 1.00 1.31 C ATOM 2059 O ARG A 126 4.397 10.664 -8.626 1.00 1.35 O ATOM 2060 CB ARG A 126 6.000 7.825 -8.315 1.00 1.31 C ATOM 2061 CG ARG A 126 6.905 8.921 -8.887 1.00 1.38 C ATOM 2062 CD ARG A 126 8.387 8.474 -8.868 1.00 1.42 C ATOM 2063 NE ARG A 126 9.253 9.584 -8.352 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.119 10.810 -8.788 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.284 11.083 -9.751 1.00 1.50 N ATOM 2066 NH2 ARG A 126 9.848 11.763 -8.273 1.00 1.59 N ATOM 0 H ARG A 126 4.163 6.266 -8.699 1.00 1.20 H new ATOM 0 HA ARG A 126 4.306 8.586 -7.180 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.362 7.531 -7.330 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.053 6.941 -8.950 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.603 9.152 -9.909 1.00 1.38 H new ATOM 0 HG3 ARG A 126 6.789 9.836 -8.306 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.501 7.591 -8.239 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.703 8.193 -9.872 1.00 1.42 H new ATOM 0 HE ARG A 126 9.961 9.379 -7.647 1.00 1.49 H new ATOM 0 HH11 ARG A 126 7.728 10.338 -10.171 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.186 12.042 -10.085 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.518 11.550 -7.534 1.00 1.59 H new ATOM 0 HH22 ARG A 126 9.747 12.721 -8.610 1.00 1.59 H new ATOM 2080 N ASN A 127 3.902 9.346 -10.303 1.00 1.30 N ATOM 2081 CA ASN A 127 3.643 10.495 -11.211 1.00 1.33 C ATOM 2082 C ASN A 127 2.203 10.944 -11.015 1.00 1.29 C ATOM 2083 O ASN A 127 1.823 12.059 -11.314 1.00 1.31 O ATOM 2084 CB ASN A 127 3.862 10.012 -12.656 1.00 1.35 C ATOM 2085 CG ASN A 127 5.248 10.434 -13.161 1.00 1.43 C ATOM 2086 OD1 ASN A 127 5.380 10.930 -14.262 1.00 1.46 O ATOM 2087 ND2 ASN A 127 6.290 10.256 -12.397 1.00 1.46 N ATOM 0 H ASN A 127 3.774 8.427 -10.727 1.00 1.30 H new ATOM 0 HA ASN A 127 4.309 11.331 -11.000 1.00 1.33 H new ATOM 0 HB2 ASN A 127 3.767 8.927 -12.701 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.091 10.427 -13.305 1.00 1.35 H new ATOM 0 HD21 ASN A 127 7.216 10.533 -12.724 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.179 9.840 -11.472 1.00 1.46 H new ATOM 2094 N VAL A 128 1.414 10.059 -10.512 1.00 1.23 N ATOM 2095 CA VAL A 128 -0.017 10.340 -10.262 1.00 1.18 C ATOM 2096 C VAL A 128 -0.208 10.594 -8.770 1.00 1.15 C ATOM 2097 O VAL A 128 0.522 10.101 -7.935 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.821 9.115 -10.714 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.213 9.110 -10.068 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.974 9.142 -12.238 1.00 1.17 C ATOM 0 H VAL A 128 1.708 9.117 -10.253 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.356 11.218 -10.811 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.287 8.216 -10.405 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.766 8.232 -10.402 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.111 9.083 -8.983 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.752 10.011 -10.359 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.545 8.272 -12.562 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -1.497 10.051 -12.535 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.012 9.122 -12.703 1.00 1.17 H new