USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 74 MET CE :methyl -167:sc= -0.43 (180deg=-0.609) USER MOD Set 1.2: A 91 ASN : amide:sc= -2.06! C(o=-2.5!,f=-8.6!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.541 USER MOD Single : A 17 SER OG : rot 180:sc= -0.68 USER MOD Single : A 22 ASN : amide:sc= 0.526 K(o=0.53,f=-2.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= 0.425 (180deg=-1.69!) USER MOD Single : A 37 SER OG : rot -17:sc= -0.154 USER MOD Single : A 44 SER OG : rot -174:sc= -1.32 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 112:sc= -5.86! USER MOD Single : A 64 TYR OH : rot 17:sc= 0.384 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -3.46 F(o=-7!,f=-3.5) USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.872 USER MOD Single : A 72 SER OG : rot 86:sc= 0.0735 USER MOD Single : A 76 ASN :FLIP amide:sc= -1.72 F(o=-4.2!,f=-1.7) USER MOD Single : A 78 ASN : amide:sc= -0.815 X(o=-0.81,f=-1.2) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -12.1! C(o=-12!,f=-19!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N SER A 14 -3.450 -7.691 4.065 1.00 0.00 N ATOM 90 CA SER A 14 -3.122 -7.856 5.471 1.00 0.00 C ATOM 91 C SER A 14 -4.326 -7.480 6.337 1.00 0.00 C ATOM 92 O SER A 14 -4.524 -8.046 7.411 1.00 0.00 O ATOM 93 CB SER A 14 -1.907 -7.009 5.856 1.00 0.00 C ATOM 94 OG SER A 14 -0.760 -7.811 6.121 1.00 0.00 O ATOM 0 HA SER A 14 -2.871 -8.903 5.643 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.682 -6.310 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.145 -6.414 6.738 1.00 0.00 H new ATOM 0 HG SER A 14 -0.006 -7.234 6.361 1.00 0.00 H new ATOM 100 N LEU A 15 -5.100 -6.527 5.837 1.00 0.00 N ATOM 101 CA LEU A 15 -6.279 -6.069 6.551 1.00 0.00 C ATOM 102 C LEU A 15 -7.337 -7.175 6.543 1.00 0.00 C ATOM 103 O LEU A 15 -8.281 -7.142 7.331 1.00 0.00 O ATOM 104 CB LEU A 15 -6.774 -4.742 5.973 1.00 0.00 C ATOM 105 CG LEU A 15 -6.027 -3.489 6.437 1.00 0.00 C ATOM 106 CD1 LEU A 15 -5.617 -2.623 5.244 1.00 0.00 C ATOM 107 CD2 LEU A 15 -6.854 -2.705 7.458 1.00 0.00 C ATOM 0 H LEU A 15 -4.933 -6.060 4.946 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.037 -5.866 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.712 -4.796 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.828 -4.628 6.227 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.111 -3.802 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.088 -1.739 5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.964 -3.196 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.507 -2.316 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.301 -1.820 7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.798 -2.402 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.053 -3.334 8.325 1.00 0.00 H new ATOM 119 N ARG A 16 -7.143 -8.129 5.644 1.00 0.00 N ATOM 120 CA ARG A 16 -8.068 -9.243 5.523 1.00 0.00 C ATOM 121 C ARG A 16 -7.556 -10.446 6.319 1.00 0.00 C ATOM 122 O ARG A 16 -8.181 -10.861 7.294 1.00 0.00 O ATOM 123 CB ARG A 16 -8.253 -9.649 4.060 1.00 0.00 C ATOM 124 CG ARG A 16 -8.625 -8.441 3.199 1.00 0.00 C ATOM 125 CD ARG A 16 -9.768 -8.782 2.241 1.00 0.00 C ATOM 126 NE ARG A 16 -9.280 -9.679 1.169 1.00 0.00 N ATOM 127 CZ ARG A 16 -8.445 -9.299 0.194 1.00 0.00 C ATOM 128 NH1 ARG A 16 -7.999 -8.036 0.148 1.00 0.00 N ATOM 129 NH2 ARG A 16 -8.055 -10.181 -0.737 1.00 0.00 N ATOM 0 H ARG A 16 -6.359 -8.153 4.992 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.030 -8.921 5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.334 -10.098 3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.032 -10.407 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.919 -7.610 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.755 -8.113 2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.580 -9.262 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.173 -7.869 1.806 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.600 -10.647 1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.296 -7.364 0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.363 -7.747 -0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.394 -11.142 -0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.419 -9.891 -1.480 1.00 0.00 H new ATOM 143 N SER A 17 -6.425 -10.972 5.873 1.00 0.00 N ATOM 144 CA SER A 17 -5.823 -12.119 6.531 1.00 0.00 C ATOM 145 C SER A 17 -5.966 -11.987 8.049 1.00 0.00 C ATOM 146 O SER A 17 -5.426 -11.058 8.648 1.00 0.00 O ATOM 147 CB SER A 17 -4.349 -12.263 6.148 1.00 0.00 C ATOM 148 OG SER A 17 -3.692 -11.000 6.069 1.00 0.00 O ATOM 0 H SER A 17 -5.910 -10.625 5.064 1.00 0.00 H new ATOM 0 HA SER A 17 -6.346 -13.016 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.843 -12.890 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.272 -12.772 5.187 1.00 0.00 H new ATOM 0 HG SER A 17 -2.753 -11.135 5.824 1.00 0.00 H new ATOM 154 N VAL A 18 -6.697 -12.928 8.626 1.00 0.00 N ATOM 155 CA VAL A 18 -6.918 -12.929 10.062 1.00 0.00 C ATOM 156 C VAL A 18 -6.197 -14.126 10.685 1.00 0.00 C ATOM 157 O VAL A 18 -6.416 -15.266 10.279 1.00 0.00 O ATOM 158 CB VAL A 18 -8.419 -12.913 10.361 1.00 0.00 C ATOM 159 CG1 VAL A 18 -8.931 -11.480 10.522 1.00 0.00 C ATOM 160 CG2 VAL A 18 -9.201 -13.656 9.276 1.00 0.00 C ATOM 0 H VAL A 18 -7.144 -13.696 8.125 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.501 -12.028 10.513 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.578 -13.433 11.305 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.000 -11.497 10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.406 -10.996 11.346 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.752 -10.924 9.601 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.265 -13.630 9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.031 -13.176 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.865 -14.692 9.230 1.00 0.00 H new ATOM 170 N PHE A 19 -5.353 -13.826 11.661 1.00 0.00 N ATOM 171 CA PHE A 19 -4.599 -14.863 12.343 1.00 0.00 C ATOM 172 C PHE A 19 -5.464 -15.574 13.386 1.00 0.00 C ATOM 173 O PHE A 19 -6.110 -14.927 14.208 1.00 0.00 O ATOM 174 CB PHE A 19 -3.431 -14.174 13.052 1.00 0.00 C ATOM 175 CG PHE A 19 -2.842 -14.982 14.211 1.00 0.00 C ATOM 176 CD1 PHE A 19 -1.886 -15.919 13.970 1.00 0.00 C ATOM 177 CD2 PHE A 19 -3.274 -14.762 15.481 1.00 0.00 C ATOM 178 CE1 PHE A 19 -1.340 -16.668 15.045 1.00 0.00 C ATOM 179 CE2 PHE A 19 -2.728 -15.512 16.556 1.00 0.00 C ATOM 180 CZ PHE A 19 -1.772 -16.449 16.316 1.00 0.00 C ATOM 0 H PHE A 19 -5.175 -12.879 11.996 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.257 -15.608 11.624 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.644 -13.975 12.324 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.767 -13.208 13.430 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.542 -16.093 12.961 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.032 -14.017 15.672 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.581 -17.412 14.854 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.072 -15.338 17.565 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.356 -17.019 17.134 1.00 0.00 H new ATOM 190 N VAL A 20 -5.449 -16.897 13.317 1.00 0.00 N ATOM 191 CA VAL A 20 -6.224 -17.704 14.244 1.00 0.00 C ATOM 192 C VAL A 20 -5.277 -18.577 15.069 1.00 0.00 C ATOM 193 O VAL A 20 -4.378 -19.214 14.521 1.00 0.00 O ATOM 194 CB VAL A 20 -7.273 -18.515 13.482 1.00 0.00 C ATOM 195 CG1 VAL A 20 -8.280 -19.151 14.443 1.00 0.00 C ATOM 196 CG2 VAL A 20 -7.982 -17.651 12.437 1.00 0.00 C ATOM 0 H VAL A 20 -4.912 -17.430 12.633 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.769 -17.067 14.941 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.757 -19.319 12.957 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.015 -19.722 13.875 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.757 -19.816 15.131 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.787 -18.369 15.009 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.723 -18.252 11.910 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.478 -16.816 12.931 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.251 -17.269 11.724 1.00 0.00 H new ATOM 206 N GLY A 21 -5.510 -18.579 16.374 1.00 0.00 N ATOM 207 CA GLY A 21 -4.688 -19.363 17.280 1.00 0.00 C ATOM 208 C GLY A 21 -5.553 -20.107 18.299 1.00 0.00 C ATOM 209 O GLY A 21 -6.780 -20.059 18.230 1.00 0.00 O ATOM 0 H GLY A 21 -6.256 -18.050 16.825 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.094 -20.078 16.711 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.988 -18.709 17.800 1.00 0.00 H new ATOM 213 N ASN A 22 -4.879 -20.777 19.222 1.00 0.00 N ATOM 214 CA ASN A 22 -5.571 -21.530 20.255 1.00 0.00 C ATOM 215 C ASN A 22 -6.433 -22.611 19.600 1.00 0.00 C ATOM 216 O ASN A 22 -7.441 -23.033 20.166 1.00 0.00 O ATOM 217 CB ASN A 22 -6.491 -20.623 21.075 1.00 0.00 C ATOM 218 CG ASN A 22 -6.923 -21.310 22.372 1.00 0.00 C ATOM 219 OD1 ASN A 22 -6.174 -22.044 22.996 1.00 0.00 O ATOM 220 ND2 ASN A 22 -8.170 -21.031 22.742 1.00 0.00 N ATOM 0 H ASN A 22 -3.861 -20.814 19.276 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.821 -21.970 20.912 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.976 -19.691 21.307 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.371 -20.363 20.486 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.553 -21.440 23.594 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.743 -20.408 22.173 1.00 0.00 H new ATOM 227 N ILE A 23 -6.006 -23.029 18.418 1.00 0.00 N ATOM 228 CA ILE A 23 -6.726 -24.053 17.680 1.00 0.00 C ATOM 229 C ILE A 23 -6.047 -25.406 17.899 1.00 0.00 C ATOM 230 O ILE A 23 -4.885 -25.587 17.540 1.00 0.00 O ATOM 231 CB ILE A 23 -6.856 -23.661 16.207 1.00 0.00 C ATOM 232 CG1 ILE A 23 -6.919 -22.140 16.048 1.00 0.00 C ATOM 233 CG2 ILE A 23 -8.055 -24.355 15.558 1.00 0.00 C ATOM 234 CD1 ILE A 23 -6.882 -21.742 14.571 1.00 0.00 C ATOM 0 H ILE A 23 -5.170 -22.677 17.952 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.746 -24.144 18.052 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.964 -24.003 15.683 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.831 -21.760 16.508 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.082 -21.681 16.573 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.124 -24.059 14.511 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.928 -25.436 15.622 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.968 -24.066 16.078 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.928 -20.656 14.485 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.958 -22.103 14.120 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.734 -22.183 14.054 1.00 0.00 H new ATOM 246 N PRO A 24 -6.821 -26.346 18.504 1.00 0.00 N ATOM 247 CA PRO A 24 -6.306 -27.678 18.775 1.00 0.00 C ATOM 248 C PRO A 24 -6.236 -28.510 17.493 1.00 0.00 C ATOM 249 O PRO A 24 -6.596 -28.033 16.418 1.00 0.00 O ATOM 250 CB PRO A 24 -7.253 -28.262 19.811 1.00 0.00 C ATOM 251 CG PRO A 24 -8.519 -27.424 19.738 1.00 0.00 C ATOM 252 CD PRO A 24 -8.202 -26.168 18.944 1.00 0.00 C ATOM 0 HA PRO A 24 -5.283 -27.665 19.152 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.466 -29.310 19.599 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.814 -28.221 20.808 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.321 -27.986 19.259 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.864 -27.166 20.739 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.877 -26.055 18.095 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.310 -25.274 19.558 1.00 0.00 H new ATOM 260 N TYR A 25 -5.769 -29.740 17.649 1.00 0.00 N ATOM 261 CA TYR A 25 -5.647 -30.643 16.517 1.00 0.00 C ATOM 262 C TYR A 25 -7.017 -31.170 16.086 1.00 0.00 C ATOM 263 O TYR A 25 -7.145 -31.781 15.026 1.00 0.00 O ATOM 264 CB TYR A 25 -4.792 -31.816 17.004 1.00 0.00 C ATOM 265 CG TYR A 25 -3.396 -31.412 17.482 1.00 0.00 C ATOM 266 CD1 TYR A 25 -3.199 -31.030 18.793 1.00 0.00 C ATOM 267 CD2 TYR A 25 -2.334 -31.430 16.601 1.00 0.00 C ATOM 268 CE1 TYR A 25 -1.885 -30.651 19.243 1.00 0.00 C ATOM 269 CE2 TYR A 25 -1.019 -31.051 17.051 1.00 0.00 C ATOM 270 CZ TYR A 25 -0.860 -30.680 18.349 1.00 0.00 C ATOM 271 OH TYR A 25 0.381 -30.321 18.774 1.00 0.00 O ATOM 0 H TYR A 25 -5.471 -30.132 18.542 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.206 -30.130 15.662 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.313 -32.318 17.819 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.693 -32.540 16.195 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.031 -31.015 19.482 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.489 -31.728 15.575 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.717 -30.351 20.267 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.179 -31.061 16.373 1.00 0.00 H new ATOM 0 HH TYR A 25 1.014 -30.390 18.029 1.00 0.00 H new ATOM 281 N GLU A 26 -8.006 -30.915 16.929 1.00 0.00 N ATOM 282 CA GLU A 26 -9.361 -31.356 16.648 1.00 0.00 C ATOM 283 C GLU A 26 -10.067 -30.354 15.732 1.00 0.00 C ATOM 284 O GLU A 26 -11.157 -30.625 15.232 1.00 0.00 O ATOM 285 CB GLU A 26 -10.150 -31.565 17.943 1.00 0.00 C ATOM 286 CG GLU A 26 -10.313 -33.055 18.251 1.00 0.00 C ATOM 287 CD GLU A 26 -11.363 -33.691 17.339 1.00 0.00 C ATOM 288 OE1 GLU A 26 -10.964 -34.146 16.245 1.00 0.00 O ATOM 289 OE2 GLU A 26 -12.542 -33.708 17.756 1.00 0.00 O ATOM 0 H GLU A 26 -7.896 -30.408 17.807 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.310 -32.315 16.133 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.637 -31.073 18.769 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.131 -31.099 17.855 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.358 -33.563 18.122 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.605 -33.185 19.293 1.00 0.00 H new ATOM 296 N ALA A 27 -9.416 -29.216 15.541 1.00 0.00 N ATOM 297 CA ALA A 27 -9.967 -28.172 14.694 1.00 0.00 C ATOM 298 C ALA A 27 -9.123 -28.053 13.423 1.00 0.00 C ATOM 299 O ALA A 27 -8.096 -27.376 13.416 1.00 0.00 O ATOM 300 CB ALA A 27 -10.029 -26.859 15.477 1.00 0.00 C ATOM 0 H ALA A 27 -8.512 -28.994 15.958 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.984 -28.420 14.392 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.442 -26.076 14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.664 -26.988 16.354 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.025 -26.577 15.794 1.00 0.00 H new ATOM 306 N THR A 28 -9.588 -28.722 12.378 1.00 0.00 N ATOM 307 CA THR A 28 -8.889 -28.700 11.104 1.00 0.00 C ATOM 308 C THR A 28 -9.395 -27.545 10.238 1.00 0.00 C ATOM 309 O THR A 28 -10.350 -26.862 10.605 1.00 0.00 O ATOM 310 CB THR A 28 -9.059 -30.072 10.448 1.00 0.00 C ATOM 311 OG1 THR A 28 -10.447 -30.359 10.599 1.00 0.00 O ATOM 312 CG2 THR A 28 -8.362 -31.186 11.231 1.00 0.00 C ATOM 0 H THR A 28 -10.440 -29.283 12.387 1.00 0.00 H new ATOM 0 HA THR A 28 -7.823 -28.519 11.241 1.00 0.00 H new ATOM 0 HB THR A 28 -8.664 -30.040 9.433 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.646 -31.231 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.514 -32.138 10.722 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.295 -30.974 11.293 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.780 -31.241 12.236 1.00 0.00 H new ATOM 320 N GLU A 29 -8.732 -27.363 9.106 1.00 0.00 N ATOM 321 CA GLU A 29 -9.103 -26.302 8.184 1.00 0.00 C ATOM 322 C GLU A 29 -10.563 -26.459 7.753 1.00 0.00 C ATOM 323 O GLU A 29 -11.240 -25.473 7.469 1.00 0.00 O ATOM 324 CB GLU A 29 -8.172 -26.280 6.970 1.00 0.00 C ATOM 325 CG GLU A 29 -7.093 -25.207 7.126 1.00 0.00 C ATOM 326 CD GLU A 29 -6.502 -24.822 5.768 1.00 0.00 C ATOM 327 OE1 GLU A 29 -7.301 -24.413 4.898 1.00 0.00 O ATOM 328 OE2 GLU A 29 -5.266 -24.946 5.631 1.00 0.00 O ATOM 0 H GLU A 29 -7.940 -27.932 8.806 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.998 -25.347 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.704 -27.257 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.751 -26.090 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.519 -24.325 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.302 -25.574 7.780 1.00 0.00 H new ATOM 335 N GLU A 30 -11.005 -27.708 7.718 1.00 0.00 N ATOM 336 CA GLU A 30 -12.372 -28.007 7.327 1.00 0.00 C ATOM 337 C GLU A 30 -13.356 -27.386 8.320 1.00 0.00 C ATOM 338 O GLU A 30 -14.453 -26.980 7.940 1.00 0.00 O ATOM 339 CB GLU A 30 -12.590 -29.517 7.209 1.00 0.00 C ATOM 340 CG GLU A 30 -12.784 -29.931 5.749 1.00 0.00 C ATOM 341 CD GLU A 30 -13.204 -31.399 5.646 1.00 0.00 C ATOM 342 OE1 GLU A 30 -12.297 -32.255 5.722 1.00 0.00 O ATOM 343 OE2 GLU A 30 -14.423 -31.631 5.494 1.00 0.00 O ATOM 0 H GLU A 30 -10.441 -28.524 7.954 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.553 -27.569 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.735 -30.045 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.463 -29.809 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.542 -29.299 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.857 -29.775 5.197 1.00 0.00 H new ATOM 350 N GLN A 31 -12.929 -27.332 9.573 1.00 0.00 N ATOM 351 CA GLN A 31 -13.759 -26.768 10.623 1.00 0.00 C ATOM 352 C GLN A 31 -13.540 -25.257 10.718 1.00 0.00 C ATOM 353 O GLN A 31 -14.499 -24.491 10.800 1.00 0.00 O ATOM 354 CB GLN A 31 -13.482 -27.447 11.966 1.00 0.00 C ATOM 355 CG GLN A 31 -14.019 -28.880 11.976 1.00 0.00 C ATOM 356 CD GLN A 31 -14.864 -29.140 13.225 1.00 0.00 C ATOM 357 OE1 GLN A 31 -16.074 -28.980 13.232 1.00 0.00 O ATOM 358 NE2 GLN A 31 -14.162 -29.547 14.278 1.00 0.00 N ATOM 0 H GLN A 31 -12.018 -27.670 9.885 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.804 -26.950 10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.409 -27.455 12.159 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.946 -26.875 12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.620 -29.053 11.083 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.188 -29.584 11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.151 -29.660 14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.634 -29.746 15.160 1.00 0.00 H new ATOM 367 N LEU A 32 -12.272 -24.872 10.704 1.00 0.00 N ATOM 368 CA LEU A 32 -11.915 -23.466 10.788 1.00 0.00 C ATOM 369 C LEU A 32 -12.565 -22.710 9.628 1.00 0.00 C ATOM 370 O LEU A 32 -13.203 -21.679 9.834 1.00 0.00 O ATOM 371 CB LEU A 32 -10.395 -23.302 10.854 1.00 0.00 C ATOM 372 CG LEU A 32 -9.775 -23.357 12.252 1.00 0.00 C ATOM 373 CD1 LEU A 32 -10.153 -24.654 12.969 1.00 0.00 C ATOM 374 CD2 LEU A 32 -8.259 -23.158 12.187 1.00 0.00 C ATOM 0 H LEU A 32 -11.479 -25.510 10.636 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.300 -23.029 11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.938 -24.082 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.132 -22.347 10.399 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.183 -22.535 12.840 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.699 -24.667 13.960 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.237 -24.714 13.065 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.792 -25.506 12.393 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.843 -23.201 13.193 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.815 -23.944 11.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.038 -22.187 11.745 1.00 0.00 H new ATOM 386 N LYS A 33 -12.381 -23.251 8.433 1.00 0.00 N ATOM 387 CA LYS A 33 -12.941 -22.640 7.240 1.00 0.00 C ATOM 388 C LYS A 33 -14.460 -22.533 7.392 1.00 0.00 C ATOM 389 O LYS A 33 -15.062 -21.551 6.961 1.00 0.00 O ATOM 390 CB LYS A 33 -12.502 -23.405 5.989 1.00 0.00 C ATOM 391 CG LYS A 33 -12.575 -22.514 4.748 1.00 0.00 C ATOM 392 CD LYS A 33 -11.501 -22.902 3.729 1.00 0.00 C ATOM 393 CE LYS A 33 -10.128 -22.379 4.155 1.00 0.00 C ATOM 394 NZ LYS A 33 -9.053 -23.218 3.579 1.00 0.00 N ATOM 0 H LYS A 33 -11.852 -24.107 8.265 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.559 -21.626 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.483 -23.769 6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.138 -24.279 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.561 -22.600 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.447 -21.471 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.466 -23.987 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.760 -22.499 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.007 -21.347 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.054 -22.378 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.343 -23.423 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.458 -24.110 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.601 -22.711 2.791 1.00 0.00 H new ATOM 408 N ASP A 34 -15.035 -23.555 8.008 1.00 0.00 N ATOM 409 CA ASP A 34 -16.471 -23.588 8.223 1.00 0.00 C ATOM 410 C ASP A 34 -16.856 -22.506 9.234 1.00 0.00 C ATOM 411 O ASP A 34 -17.918 -21.895 9.121 1.00 0.00 O ATOM 412 CB ASP A 34 -16.913 -24.940 8.786 1.00 0.00 C ATOM 413 CG ASP A 34 -18.104 -25.580 8.070 1.00 0.00 C ATOM 414 OD1 ASP A 34 -18.007 -25.734 6.834 1.00 0.00 O ATOM 415 OD2 ASP A 34 -19.085 -25.902 8.776 1.00 0.00 O ATOM 0 H ASP A 34 -14.532 -24.367 8.365 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.959 -23.420 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.069 -25.628 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.166 -24.813 9.839 1.00 0.00 H new ATOM 420 N ILE A 35 -15.971 -22.302 10.199 1.00 0.00 N ATOM 421 CA ILE A 35 -16.205 -21.304 11.229 1.00 0.00 C ATOM 422 C ILE A 35 -16.153 -19.909 10.603 1.00 0.00 C ATOM 423 O ILE A 35 -17.042 -19.089 10.830 1.00 0.00 O ATOM 424 CB ILE A 35 -15.227 -21.493 12.390 1.00 0.00 C ATOM 425 CG1 ILE A 35 -15.383 -22.880 13.018 1.00 0.00 C ATOM 426 CG2 ILE A 35 -15.379 -20.375 13.424 1.00 0.00 C ATOM 427 CD1 ILE A 35 -14.035 -23.419 13.501 1.00 0.00 C ATOM 0 H ILE A 35 -15.091 -22.810 10.289 1.00 0.00 H new ATOM 0 HA ILE A 35 -17.200 -21.425 11.657 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.213 -21.430 11.995 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.079 -22.828 13.855 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.813 -23.567 12.289 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.672 -20.534 14.238 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.179 -19.413 12.952 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.395 -20.381 13.819 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.175 -24.406 13.943 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.349 -23.493 12.657 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.619 -22.743 14.248 1.00 0.00 H new ATOM 439 N PHE A 36 -15.103 -19.682 9.827 1.00 0.00 N ATOM 440 CA PHE A 36 -14.924 -18.400 9.167 1.00 0.00 C ATOM 441 C PHE A 36 -15.963 -18.203 8.061 1.00 0.00 C ATOM 442 O PHE A 36 -16.353 -17.074 7.765 1.00 0.00 O ATOM 443 CB PHE A 36 -13.528 -18.411 8.541 1.00 0.00 C ATOM 444 CG PHE A 36 -12.448 -17.772 9.418 1.00 0.00 C ATOM 445 CD1 PHE A 36 -12.722 -16.636 10.113 1.00 0.00 C ATOM 446 CD2 PHE A 36 -11.216 -18.341 9.502 1.00 0.00 C ATOM 447 CE1 PHE A 36 -11.720 -16.043 10.927 1.00 0.00 C ATOM 448 CE2 PHE A 36 -10.214 -17.749 10.316 1.00 0.00 C ATOM 449 CZ PHE A 36 -10.488 -16.612 11.011 1.00 0.00 C ATOM 0 H PHE A 36 -14.368 -20.364 9.641 1.00 0.00 H new ATOM 0 HA PHE A 36 -15.041 -17.591 9.888 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -13.245 -19.442 8.327 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.565 -17.886 7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.701 -16.185 10.046 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.999 -19.243 8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.937 -15.140 11.479 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.235 -18.201 10.383 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.726 -16.161 11.630 1.00 0.00 H new ATOM 459 N SER A 37 -16.383 -19.318 7.482 1.00 0.00 N ATOM 460 CA SER A 37 -17.369 -19.282 6.415 1.00 0.00 C ATOM 461 C SER A 37 -18.690 -18.717 6.943 1.00 0.00 C ATOM 462 O SER A 37 -19.419 -18.048 6.212 1.00 0.00 O ATOM 463 CB SER A 37 -17.588 -20.674 5.820 1.00 0.00 C ATOM 464 OG SER A 37 -18.190 -21.566 6.754 1.00 0.00 O ATOM 0 H SER A 37 -16.059 -20.252 7.731 1.00 0.00 H new ATOM 0 HA SER A 37 -16.993 -18.633 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.220 -20.595 4.936 1.00 0.00 H new ATOM 0 HB3 SER A 37 -16.632 -21.083 5.493 1.00 0.00 H new ATOM 0 HG SER A 37 -18.092 -21.206 7.660 1.00 0.00 H new ATOM 470 N GLU A 38 -18.957 -19.006 8.208 1.00 0.00 N ATOM 471 CA GLU A 38 -20.176 -18.535 8.842 1.00 0.00 C ATOM 472 C GLU A 38 -20.177 -17.007 8.922 1.00 0.00 C ATOM 473 O GLU A 38 -21.205 -16.398 9.213 1.00 0.00 O ATOM 474 CB GLU A 38 -20.348 -19.156 10.229 1.00 0.00 C ATOM 475 CG GLU A 38 -21.249 -18.289 11.111 1.00 0.00 C ATOM 476 CD GLU A 38 -21.771 -19.082 12.310 1.00 0.00 C ATOM 477 OE1 GLU A 38 -20.980 -19.890 12.844 1.00 0.00 O ATOM 478 OE2 GLU A 38 -22.949 -18.863 12.666 1.00 0.00 O ATOM 0 H GLU A 38 -18.350 -19.561 8.811 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.023 -18.848 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -20.777 -20.153 10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -19.373 -19.272 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -20.693 -17.419 11.460 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -22.088 -17.916 10.524 1.00 0.00 H new ATOM 485 N VAL A 39 -19.013 -16.432 8.658 1.00 0.00 N ATOM 486 CA VAL A 39 -18.867 -14.987 8.696 1.00 0.00 C ATOM 487 C VAL A 39 -18.827 -14.444 7.266 1.00 0.00 C ATOM 488 O VAL A 39 -18.573 -13.260 7.054 1.00 0.00 O ATOM 489 CB VAL A 39 -17.630 -14.607 9.513 1.00 0.00 C ATOM 490 CG1 VAL A 39 -17.720 -13.161 10.004 1.00 0.00 C ATOM 491 CG2 VAL A 39 -17.429 -15.572 10.683 1.00 0.00 C ATOM 0 H VAL A 39 -18.162 -16.941 8.417 1.00 0.00 H new ATOM 0 HA VAL A 39 -19.723 -14.531 9.194 1.00 0.00 H new ATOM 0 HB VAL A 39 -16.760 -14.685 8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -16.829 -12.917 10.582 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -17.793 -12.490 9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -18.603 -13.044 10.633 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -16.544 -15.280 11.248 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -18.302 -15.540 11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -17.298 -16.585 10.301 1.00 0.00 H new ATOM 501 N GLY A 40 -19.083 -15.338 6.321 1.00 0.00 N ATOM 502 CA GLY A 40 -19.080 -14.964 4.917 1.00 0.00 C ATOM 503 C GLY A 40 -18.264 -15.956 4.087 1.00 0.00 C ATOM 504 O GLY A 40 -17.848 -16.999 4.591 1.00 0.00 O ATOM 0 H GLY A 40 -19.294 -16.320 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.104 -14.928 4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.665 -13.962 4.805 1.00 0.00 H new ATOM 508 N PRO A 41 -18.053 -15.588 2.795 1.00 0.00 N ATOM 509 CA PRO A 41 -17.294 -16.435 1.890 1.00 0.00 C ATOM 510 C PRO A 41 -15.796 -16.357 2.193 1.00 0.00 C ATOM 511 O PRO A 41 -15.175 -15.311 2.008 1.00 0.00 O ATOM 512 CB PRO A 41 -17.644 -15.936 0.497 1.00 0.00 C ATOM 513 CG PRO A 41 -18.218 -14.541 0.686 1.00 0.00 C ATOM 514 CD PRO A 41 -18.529 -14.361 2.163 1.00 0.00 C ATOM 0 HA PRO A 41 -17.543 -17.491 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -16.762 -15.912 -0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -18.368 -16.594 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.506 -13.787 0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -19.120 -14.415 0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -18.024 -13.485 2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -19.597 -14.219 2.328 1.00 0.00 H new ATOM 522 N VAL A 42 -15.259 -17.477 2.653 1.00 0.00 N ATOM 523 CA VAL A 42 -13.845 -17.549 2.984 1.00 0.00 C ATOM 524 C VAL A 42 -13.048 -17.887 1.723 1.00 0.00 C ATOM 525 O VAL A 42 -13.287 -18.915 1.090 1.00 0.00 O ATOM 526 CB VAL A 42 -13.624 -18.550 4.119 1.00 0.00 C ATOM 527 CG1 VAL A 42 -13.690 -19.989 3.601 1.00 0.00 C ATOM 528 CG2 VAL A 42 -12.297 -18.285 4.832 1.00 0.00 C ATOM 0 H VAL A 42 -15.777 -18.342 2.805 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.487 -16.585 3.346 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.427 -18.417 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.530 -20.681 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.669 -20.172 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.918 -20.140 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.164 -19.010 5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.477 -18.377 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.303 -17.278 5.250 1.00 0.00 H new ATOM 538 N VAL A 43 -12.116 -17.004 1.395 1.00 0.00 N ATOM 539 CA VAL A 43 -11.282 -17.197 0.221 1.00 0.00 C ATOM 540 C VAL A 43 -10.400 -18.431 0.424 1.00 0.00 C ATOM 541 O VAL A 43 -10.606 -19.458 -0.220 1.00 0.00 O ATOM 542 CB VAL A 43 -10.477 -15.927 -0.062 1.00 0.00 C ATOM 543 CG1 VAL A 43 -9.543 -16.126 -1.258 1.00 0.00 C ATOM 544 CG2 VAL A 43 -11.402 -14.729 -0.282 1.00 0.00 C ATOM 0 H VAL A 43 -11.920 -16.153 1.922 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.898 -17.379 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.862 -15.718 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.982 -15.209 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.849 -16.940 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.131 -16.371 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.804 -13.840 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.055 -14.925 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -12.007 -14.567 0.610 1.00 0.00 H new ATOM 554 N SER A 44 -9.437 -18.289 1.323 1.00 0.00 N ATOM 555 CA SER A 44 -8.524 -19.380 1.619 1.00 0.00 C ATOM 556 C SER A 44 -8.019 -19.264 3.059 1.00 0.00 C ATOM 557 O SER A 44 -8.096 -18.195 3.663 1.00 0.00 O ATOM 558 CB SER A 44 -7.345 -19.392 0.643 1.00 0.00 C ATOM 559 OG SER A 44 -6.172 -19.946 1.230 1.00 0.00 O ATOM 0 H SER A 44 -9.269 -17.436 1.856 1.00 0.00 H new ATOM 0 HA SER A 44 -9.065 -20.319 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.614 -19.968 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.139 -18.374 0.311 1.00 0.00 H new ATOM 0 HG SER A 44 -5.419 -19.850 0.610 1.00 0.00 H new ATOM 565 N PHE A 45 -7.515 -20.378 3.567 1.00 0.00 N ATOM 566 CA PHE A 45 -6.998 -20.415 4.925 1.00 0.00 C ATOM 567 C PHE A 45 -5.760 -21.310 5.016 1.00 0.00 C ATOM 568 O PHE A 45 -5.844 -22.516 4.791 1.00 0.00 O ATOM 569 CB PHE A 45 -8.102 -21.000 5.808 1.00 0.00 C ATOM 570 CG PHE A 45 -7.973 -20.635 7.288 1.00 0.00 C ATOM 571 CD1 PHE A 45 -6.769 -20.256 7.793 1.00 0.00 C ATOM 572 CD2 PHE A 45 -9.064 -20.690 8.099 1.00 0.00 C ATOM 573 CE1 PHE A 45 -6.649 -19.917 9.167 1.00 0.00 C ATOM 574 CE2 PHE A 45 -8.944 -20.352 9.473 1.00 0.00 C ATOM 575 CZ PHE A 45 -7.740 -19.972 9.978 1.00 0.00 C ATOM 0 H PHE A 45 -7.453 -21.263 3.063 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.712 -19.412 5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.068 -20.653 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.095 -22.086 5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.903 -20.213 7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.021 -20.991 7.698 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.692 -19.616 9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.810 -20.397 10.117 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.650 -19.714 11.023 1.00 0.00 H new ATOM 585 N ARG A 46 -4.640 -20.684 5.347 1.00 0.00 N ATOM 586 CA ARG A 46 -3.387 -21.408 5.471 1.00 0.00 C ATOM 587 C ARG A 46 -2.869 -21.330 6.909 1.00 0.00 C ATOM 588 O ARG A 46 -2.864 -20.259 7.513 1.00 0.00 O ATOM 589 CB ARG A 46 -2.328 -20.842 4.523 1.00 0.00 C ATOM 590 CG ARG A 46 -2.758 -21.000 3.063 1.00 0.00 C ATOM 591 CD ARG A 46 -3.238 -19.667 2.486 1.00 0.00 C ATOM 592 NE ARG A 46 -2.618 -19.435 1.162 1.00 0.00 N ATOM 593 CZ ARG A 46 -1.355 -19.024 0.986 1.00 0.00 C ATOM 594 NH1 ARG A 46 -0.570 -18.797 2.048 1.00 0.00 N ATOM 595 NH2 ARG A 46 -0.877 -18.841 -0.252 1.00 0.00 N ATOM 0 H ARG A 46 -4.575 -19.683 5.533 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.577 -22.448 5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.162 -19.788 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.380 -21.354 4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.922 -21.376 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.556 -21.739 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.324 -19.672 2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.980 -18.854 3.165 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.188 -19.598 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.934 -18.937 2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.392 -18.484 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.475 -19.015 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.084 -18.528 -0.386 1.00 0.00 H new ATOM 609 N LEU A 47 -2.445 -22.480 7.414 1.00 0.00 N ATOM 610 CA LEU A 47 -1.926 -22.555 8.769 1.00 0.00 C ATOM 611 C LEU A 47 -0.508 -23.127 8.736 1.00 0.00 C ATOM 612 O LEU A 47 -0.062 -23.633 7.707 1.00 0.00 O ATOM 613 CB LEU A 47 -2.885 -23.339 9.667 1.00 0.00 C ATOM 614 CG LEU A 47 -3.969 -24.145 8.948 1.00 0.00 C ATOM 615 CD1 LEU A 47 -4.921 -23.223 8.184 1.00 0.00 C ATOM 616 CD2 LEU A 47 -3.350 -25.210 8.041 1.00 0.00 C ATOM 0 H LEU A 47 -2.450 -23.366 6.909 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.858 -21.559 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.299 -24.023 10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.371 -22.638 10.345 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.561 -24.668 9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.682 -23.821 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.401 -22.537 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.360 -22.654 7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.142 -25.768 7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.719 -24.729 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.747 -25.892 8.640 1.00 0.00 H new ATOM 628 N VAL A 48 0.163 -23.028 9.875 1.00 0.00 N ATOM 629 CA VAL A 48 1.522 -23.529 9.989 1.00 0.00 C ATOM 630 C VAL A 48 1.484 -25.016 10.346 1.00 0.00 C ATOM 631 O VAL A 48 0.920 -25.399 11.370 1.00 0.00 O ATOM 632 CB VAL A 48 2.305 -22.691 11.002 1.00 0.00 C ATOM 633 CG1 VAL A 48 2.711 -21.344 10.402 1.00 0.00 C ATOM 634 CG2 VAL A 48 1.503 -22.498 12.291 1.00 0.00 C ATOM 0 H VAL A 48 -0.210 -22.608 10.727 1.00 0.00 H new ATOM 0 HA VAL A 48 2.045 -23.436 9.037 1.00 0.00 H new ATOM 0 HB VAL A 48 3.216 -23.234 11.253 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.266 -20.768 11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.339 -21.510 9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.818 -20.792 10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.082 -21.899 12.994 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.567 -21.987 12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.287 -23.470 12.734 1.00 0.00 H new ATOM 644 N TYR A 49 2.091 -25.815 9.481 1.00 0.00 N ATOM 645 CA TYR A 49 2.133 -27.252 9.691 1.00 0.00 C ATOM 646 C TYR A 49 3.574 -27.767 9.668 1.00 0.00 C ATOM 647 O TYR A 49 4.269 -27.633 8.662 1.00 0.00 O ATOM 648 CB TYR A 49 1.363 -27.873 8.524 1.00 0.00 C ATOM 649 CG TYR A 49 -0.035 -28.369 8.895 1.00 0.00 C ATOM 650 CD1 TYR A 49 -1.023 -27.465 9.227 1.00 0.00 C ATOM 651 CD2 TYR A 49 -0.309 -29.722 8.898 1.00 0.00 C ATOM 652 CE1 TYR A 49 -2.340 -27.932 9.576 1.00 0.00 C ATOM 653 CE2 TYR A 49 -1.626 -30.189 9.248 1.00 0.00 C ATOM 654 CZ TYR A 49 -2.576 -29.271 9.569 1.00 0.00 C ATOM 655 OH TYR A 49 -3.819 -29.713 9.899 1.00 0.00 O ATOM 0 H TYR A 49 2.558 -25.494 8.633 1.00 0.00 H new ATOM 0 HA TYR A 49 1.704 -27.511 10.659 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.276 -27.135 7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.939 -28.708 8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.809 -26.406 9.225 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.464 -30.430 8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.122 -27.235 9.837 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.854 -31.245 9.255 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.842 -30.692 9.850 1.00 0.00 H new ATOM 665 N ASP A 50 3.980 -28.347 10.788 1.00 0.00 N ATOM 666 CA ASP A 50 5.325 -28.883 10.909 1.00 0.00 C ATOM 667 C ASP A 50 5.439 -30.156 10.068 1.00 0.00 C ATOM 668 O ASP A 50 4.868 -31.188 10.417 1.00 0.00 O ATOM 669 CB ASP A 50 5.646 -29.244 12.360 1.00 0.00 C ATOM 670 CG ASP A 50 6.523 -28.232 13.100 1.00 0.00 C ATOM 671 OD1 ASP A 50 5.992 -27.146 13.417 1.00 0.00 O ATOM 672 OD2 ASP A 50 7.704 -28.568 13.332 1.00 0.00 O ATOM 0 H ASP A 50 3.401 -28.457 11.620 1.00 0.00 H new ATOM 0 HA ASP A 50 6.024 -28.121 10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.709 -29.358 12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.144 -30.213 12.376 1.00 0.00 H new ATOM 677 N ARG A 51 6.181 -30.042 8.976 1.00 0.00 N ATOM 678 CA ARG A 51 6.377 -31.171 8.083 1.00 0.00 C ATOM 679 C ARG A 51 7.319 -32.194 8.721 1.00 0.00 C ATOM 680 O ARG A 51 7.212 -33.391 8.457 1.00 0.00 O ATOM 681 CB ARG A 51 6.959 -30.718 6.743 1.00 0.00 C ATOM 682 CG ARG A 51 5.899 -30.011 5.896 1.00 0.00 C ATOM 683 CD ARG A 51 6.481 -29.558 4.555 1.00 0.00 C ATOM 684 NE ARG A 51 5.990 -28.202 4.223 1.00 0.00 N ATOM 685 CZ ARG A 51 6.395 -27.084 4.841 1.00 0.00 C ATOM 686 NH1 ARG A 51 7.300 -27.154 5.827 1.00 0.00 N ATOM 687 NH2 ARG A 51 5.896 -25.897 4.473 1.00 0.00 N ATOM 0 H ARG A 51 6.654 -29.185 8.690 1.00 0.00 H new ATOM 0 HA ARG A 51 5.403 -31.628 7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.799 -30.046 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.347 -31.580 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.059 -30.683 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.511 -29.149 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.570 -29.558 4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.197 -30.259 3.770 1.00 0.00 H new ATOM 0 HE ARG A 51 5.300 -28.113 3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.680 -28.058 6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.608 -26.303 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.208 -25.844 3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.204 -25.046 4.943 1.00 0.00 H new ATOM 701 N GLU A 52 8.221 -31.686 9.548 1.00 0.00 N ATOM 702 CA GLU A 52 9.181 -32.541 10.225 1.00 0.00 C ATOM 703 C GLU A 52 8.482 -33.379 11.297 1.00 0.00 C ATOM 704 O GLU A 52 8.888 -34.508 11.570 1.00 0.00 O ATOM 705 CB GLU A 52 10.319 -31.716 10.830 1.00 0.00 C ATOM 706 CG GLU A 52 11.672 -32.148 10.261 1.00 0.00 C ATOM 707 CD GLU A 52 12.228 -31.089 9.306 1.00 0.00 C ATOM 708 OE1 GLU A 52 11.402 -30.323 8.764 1.00 0.00 O ATOM 709 OE2 GLU A 52 13.467 -31.071 9.138 1.00 0.00 O ATOM 0 H GLU A 52 8.307 -30.693 9.765 1.00 0.00 H new ATOM 0 HA GLU A 52 9.617 -33.217 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.155 -30.658 10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.322 -31.834 11.914 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.377 -32.314 11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.563 -33.096 9.735 1.00 0.00 H new ATOM 716 N THR A 53 7.443 -32.795 11.876 1.00 0.00 N ATOM 717 CA THR A 53 6.684 -33.474 12.912 1.00 0.00 C ATOM 718 C THR A 53 5.321 -33.913 12.373 1.00 0.00 C ATOM 719 O THR A 53 4.549 -34.560 13.079 1.00 0.00 O ATOM 720 CB THR A 53 6.588 -32.538 14.118 1.00 0.00 C ATOM 721 OG1 THR A 53 7.370 -31.408 13.743 1.00 0.00 O ATOM 722 CG2 THR A 53 7.303 -33.095 15.350 1.00 0.00 C ATOM 0 H THR A 53 7.109 -31.859 11.647 1.00 0.00 H new ATOM 0 HA THR A 53 7.182 -34.389 13.232 1.00 0.00 H new ATOM 0 HB THR A 53 5.539 -32.360 14.357 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.361 -30.749 14.468 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.204 -32.392 16.177 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.856 -34.049 15.630 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.359 -33.242 15.123 1.00 0.00 H new ATOM 730 N GLY A 54 5.066 -33.544 11.126 1.00 0.00 N ATOM 731 CA GLY A 54 3.810 -33.892 10.484 1.00 0.00 C ATOM 732 C GLY A 54 2.619 -33.502 11.362 1.00 0.00 C ATOM 733 O GLY A 54 1.516 -34.014 11.182 1.00 0.00 O ATOM 0 H GLY A 54 5.708 -33.007 10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.737 -33.387 9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.784 -34.963 10.284 1.00 0.00 H new ATOM 737 N LYS A 55 2.884 -32.598 12.294 1.00 0.00 N ATOM 738 CA LYS A 55 1.848 -32.133 13.201 1.00 0.00 C ATOM 739 C LYS A 55 1.637 -30.631 13.001 1.00 0.00 C ATOM 740 O LYS A 55 2.586 -29.898 12.728 1.00 0.00 O ATOM 741 CB LYS A 55 2.184 -32.520 14.643 1.00 0.00 C ATOM 742 CG LYS A 55 1.420 -33.775 15.066 1.00 0.00 C ATOM 743 CD LYS A 55 2.310 -34.707 15.892 1.00 0.00 C ATOM 744 CE LYS A 55 1.567 -35.224 17.125 1.00 0.00 C ATOM 745 NZ LYS A 55 1.102 -36.612 16.906 1.00 0.00 N ATOM 0 H LYS A 55 3.801 -32.175 12.441 1.00 0.00 H new ATOM 0 HA LYS A 55 0.899 -32.621 12.977 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.256 -32.694 14.736 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.935 -31.696 15.312 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.544 -33.492 15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.059 -34.300 14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.631 -35.548 15.277 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.210 -34.176 16.202 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.223 -35.187 17.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.715 -34.579 17.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.600 -36.947 17.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.459 -36.638 16.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.920 -37.227 16.722 1.00 0.00 H new ATOM 759 N PRO A 56 0.353 -30.206 13.148 1.00 0.00 N ATOM 760 CA PRO A 56 0.005 -28.805 12.986 1.00 0.00 C ATOM 761 C PRO A 56 0.452 -27.985 14.198 1.00 0.00 C ATOM 762 O PRO A 56 0.292 -28.419 15.338 1.00 0.00 O ATOM 763 CB PRO A 56 -1.501 -28.794 12.784 1.00 0.00 C ATOM 764 CG PRO A 56 -2.001 -30.133 13.301 1.00 0.00 C ATOM 765 CD PRO A 56 -0.797 -31.046 13.471 1.00 0.00 C ATOM 0 HA PRO A 56 0.510 -28.342 12.138 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.962 -27.969 13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.753 -28.663 11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.521 -30.006 14.251 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.715 -30.569 12.603 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.733 -31.431 14.489 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.857 -31.908 12.807 1.00 0.00 H new ATOM 773 N LYS A 57 1.003 -26.815 13.911 1.00 0.00 N ATOM 774 CA LYS A 57 1.474 -25.931 14.964 1.00 0.00 C ATOM 775 C LYS A 57 0.319 -25.622 15.919 1.00 0.00 C ATOM 776 O LYS A 57 0.410 -25.891 17.116 1.00 0.00 O ATOM 777 CB LYS A 57 2.127 -24.684 14.364 1.00 0.00 C ATOM 778 CG LYS A 57 3.641 -24.700 14.583 1.00 0.00 C ATOM 779 CD LYS A 57 3.982 -24.588 16.071 1.00 0.00 C ATOM 780 CE LYS A 57 5.381 -24.002 16.270 1.00 0.00 C ATOM 781 NZ LYS A 57 5.950 -24.449 17.561 1.00 0.00 N ATOM 0 H LYS A 57 1.134 -26.458 12.964 1.00 0.00 H new ATOM 0 HA LYS A 57 2.252 -26.418 15.552 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.911 -24.633 13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.699 -23.790 14.819 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.061 -25.621 14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.099 -23.875 14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.246 -23.958 16.570 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.927 -25.572 16.536 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.031 -24.312 15.452 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.333 -22.913 16.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.900 -24.043 17.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.337 -24.132 18.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.014 -25.487 17.571 1.00 0.00 H new ATOM 795 N GLY A 58 -0.739 -25.061 15.354 1.00 0.00 N ATOM 796 CA GLY A 58 -1.911 -24.712 16.140 1.00 0.00 C ATOM 797 C GLY A 58 -2.446 -23.335 15.744 1.00 0.00 C ATOM 798 O GLY A 58 -3.577 -22.985 16.079 1.00 0.00 O ATOM 0 H GLY A 58 -0.810 -24.839 14.361 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.687 -25.463 15.995 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.657 -24.716 17.200 1.00 0.00 H new ATOM 802 N TYR A 59 -1.609 -22.590 15.037 1.00 0.00 N ATOM 803 CA TYR A 59 -1.984 -21.259 14.592 1.00 0.00 C ATOM 804 C TYR A 59 -1.807 -21.116 13.079 1.00 0.00 C ATOM 805 O TYR A 59 -1.046 -21.863 12.466 1.00 0.00 O ATOM 806 CB TYR A 59 -1.029 -20.294 15.299 1.00 0.00 C ATOM 807 CG TYR A 59 0.433 -20.444 14.875 1.00 0.00 C ATOM 808 CD1 TYR A 59 1.251 -21.344 15.527 1.00 0.00 C ATOM 809 CD2 TYR A 59 0.934 -19.678 13.842 1.00 0.00 C ATOM 810 CE1 TYR A 59 2.628 -21.485 15.128 1.00 0.00 C ATOM 811 CE2 TYR A 59 2.311 -19.819 13.443 1.00 0.00 C ATOM 812 CZ TYR A 59 3.090 -20.716 14.106 1.00 0.00 C ATOM 813 OH TYR A 59 4.390 -20.849 13.730 1.00 0.00 O ATOM 0 H TYR A 59 -0.672 -22.883 14.761 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.030 -21.057 14.823 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.351 -19.271 15.102 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.102 -20.450 16.375 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.859 -21.942 16.336 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.294 -18.973 13.333 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.279 -22.186 15.629 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.716 -19.226 12.636 1.00 0.00 H new ATOM 0 HH TYR A 59 4.580 -20.238 12.988 1.00 0.00 H new ATOM 823 N GLY A 60 -2.522 -20.151 12.521 1.00 0.00 N ATOM 824 CA GLY A 60 -2.453 -19.900 11.091 1.00 0.00 C ATOM 825 C GLY A 60 -3.148 -18.585 10.731 1.00 0.00 C ATOM 826 O GLY A 60 -3.520 -17.814 11.613 1.00 0.00 O ATOM 0 H GLY A 60 -3.152 -19.533 13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.411 -19.863 10.775 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.921 -20.723 10.551 1.00 0.00 H new ATOM 830 N PHE A 61 -3.302 -18.371 9.432 1.00 0.00 N ATOM 831 CA PHE A 61 -3.945 -17.162 8.945 1.00 0.00 C ATOM 832 C PHE A 61 -5.006 -17.493 7.893 1.00 0.00 C ATOM 833 O PHE A 61 -4.781 -18.330 7.021 1.00 0.00 O ATOM 834 CB PHE A 61 -2.855 -16.304 8.299 1.00 0.00 C ATOM 835 CG PHE A 61 -1.646 -16.052 9.203 1.00 0.00 C ATOM 836 CD1 PHE A 61 -1.756 -15.213 10.268 1.00 0.00 C ATOM 837 CD2 PHE A 61 -0.461 -16.665 8.941 1.00 0.00 C ATOM 838 CE1 PHE A 61 -0.635 -14.978 11.106 1.00 0.00 C ATOM 839 CE2 PHE A 61 0.661 -16.430 9.779 1.00 0.00 C ATOM 840 CZ PHE A 61 0.550 -15.592 10.844 1.00 0.00 C ATOM 0 H PHE A 61 -2.993 -19.014 8.703 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.436 -16.644 9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.517 -16.792 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.285 -15.345 8.009 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.697 -14.725 10.476 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.373 -17.331 8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.723 -14.312 11.952 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.602 -16.917 9.570 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.403 -15.414 11.482 1.00 0.00 H new ATOM 850 N CYS A 62 -6.140 -16.818 8.011 1.00 0.00 N ATOM 851 CA CYS A 62 -7.237 -17.029 7.082 1.00 0.00 C ATOM 852 C CYS A 62 -7.429 -15.749 6.267 1.00 0.00 C ATOM 853 O CYS A 62 -7.659 -14.679 6.829 1.00 0.00 O ATOM 854 CB CYS A 62 -8.520 -17.443 7.806 1.00 0.00 C ATOM 855 SG CYS A 62 -9.686 -18.211 6.623 1.00 0.00 S ATOM 0 H CYS A 62 -6.323 -16.124 8.736 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.995 -17.853 6.411 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -8.286 -18.145 8.606 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -8.982 -16.572 8.271 1.00 0.00 H new ATOM 0 HG CYS A 62 -9.813 -19.475 6.898 1.00 0.00 H new ATOM 861 N GLU A 63 -7.329 -15.900 4.954 1.00 0.00 N ATOM 862 CA GLU A 63 -7.489 -14.769 4.056 1.00 0.00 C ATOM 863 C GLU A 63 -8.903 -14.752 3.471 1.00 0.00 C ATOM 864 O GLU A 63 -9.366 -15.753 2.929 1.00 0.00 O ATOM 865 CB GLU A 63 -6.437 -14.798 2.946 1.00 0.00 C ATOM 866 CG GLU A 63 -6.867 -13.932 1.760 1.00 0.00 C ATOM 867 CD GLU A 63 -5.689 -13.664 0.821 1.00 0.00 C ATOM 868 OE1 GLU A 63 -4.632 -14.292 1.043 1.00 0.00 O ATOM 869 OE2 GLU A 63 -5.873 -12.837 -0.098 1.00 0.00 O ATOM 0 H GLU A 63 -7.139 -16.789 4.491 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.342 -13.852 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.483 -14.441 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.282 -15.825 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.667 -14.430 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.270 -12.986 2.123 1.00 0.00 H new ATOM 876 N TYR A 64 -9.548 -13.602 3.602 1.00 0.00 N ATOM 877 CA TYR A 64 -10.900 -13.441 3.094 1.00 0.00 C ATOM 878 C TYR A 64 -10.892 -12.774 1.717 1.00 0.00 C ATOM 879 O TYR A 64 -9.837 -12.622 1.103 1.00 0.00 O ATOM 880 CB TYR A 64 -11.618 -12.525 4.087 1.00 0.00 C ATOM 881 CG TYR A 64 -12.371 -13.271 5.189 1.00 0.00 C ATOM 882 CD1 TYR A 64 -13.655 -13.724 4.963 1.00 0.00 C ATOM 883 CD2 TYR A 64 -11.768 -13.491 6.411 1.00 0.00 C ATOM 884 CE1 TYR A 64 -14.364 -14.426 6.000 1.00 0.00 C ATOM 885 CE2 TYR A 64 -12.477 -14.193 7.449 1.00 0.00 C ATOM 886 CZ TYR A 64 -13.740 -14.626 7.192 1.00 0.00 C ATOM 887 OH TYR A 64 -14.410 -15.289 8.172 1.00 0.00 O ATOM 0 H TYR A 64 -9.160 -12.773 4.052 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.389 -14.410 2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.887 -11.860 4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.322 -11.896 3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -14.128 -13.552 4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.764 -13.136 6.589 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.369 -14.786 5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.016 -14.371 8.409 1.00 0.00 H new ATOM 0 HH TYR A 64 -15.171 -15.768 7.782 1.00 0.00 H new ATOM 897 N GLN A 65 -12.080 -12.394 1.272 1.00 0.00 N ATOM 898 CA GLN A 65 -12.224 -11.747 -0.021 1.00 0.00 C ATOM 899 C GLN A 65 -12.494 -10.252 0.160 1.00 0.00 C ATOM 900 O GLN A 65 -12.288 -9.464 -0.761 1.00 0.00 O ATOM 901 CB GLN A 65 -13.330 -12.408 -0.846 1.00 0.00 C ATOM 902 CG GLN A 65 -13.013 -12.342 -2.341 1.00 0.00 C ATOM 903 CD GLN A 65 -14.161 -12.921 -3.171 1.00 0.00 C ATOM 904 OE1 GLN A 65 -15.068 -12.223 -3.595 1.00 0.00 O ATOM 905 NE2 GLN A 65 -14.071 -14.231 -3.378 1.00 0.00 N ATOM 0 H GLN A 65 -12.953 -12.522 1.784 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.289 -11.864 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.444 -13.448 -0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.281 -11.912 -0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.834 -11.307 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.096 -12.894 -2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.285 -14.755 -2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.788 -14.712 -3.921 1.00 0.00 H new ATOM 914 N ASP A 66 -12.952 -9.907 1.355 1.00 0.00 N ATOM 915 CA ASP A 66 -13.252 -8.520 1.669 1.00 0.00 C ATOM 916 C ASP A 66 -12.702 -8.185 3.057 1.00 0.00 C ATOM 917 O ASP A 66 -12.905 -8.939 4.007 1.00 0.00 O ATOM 918 CB ASP A 66 -14.763 -8.275 1.688 1.00 0.00 C ATOM 919 CG ASP A 66 -15.606 -9.386 1.060 1.00 0.00 C ATOM 920 OD1 ASP A 66 -15.703 -10.456 1.700 1.00 0.00 O ATOM 921 OD2 ASP A 66 -16.135 -9.141 -0.046 1.00 0.00 O ATOM 0 H ASP A 66 -13.122 -10.564 2.117 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.794 -7.894 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.081 -8.139 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.971 -7.342 1.165 1.00 0.00 H new ATOM 926 N GLN A 67 -12.016 -7.054 3.129 1.00 0.00 N ATOM 927 CA GLN A 67 -11.435 -6.610 4.384 1.00 0.00 C ATOM 928 C GLN A 67 -12.520 -6.480 5.455 1.00 0.00 C ATOM 929 O GLN A 67 -12.288 -6.793 6.622 1.00 0.00 O ATOM 930 CB GLN A 67 -10.682 -5.291 4.204 1.00 0.00 C ATOM 931 CG GLN A 67 -10.381 -4.641 5.556 1.00 0.00 C ATOM 932 CD GLN A 67 -9.711 -3.278 5.373 1.00 0.00 C ATOM 933 OE1 GLN A 67 -8.668 -3.295 4.547 1.00 0.00 O flip ATOM 934 NE2 GLN A 67 -10.113 -2.278 5.943 1.00 0.00 N flip ATOM 0 H GLN A 67 -11.850 -6.432 2.338 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.715 -7.359 4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.750 -5.471 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.275 -4.610 3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.306 -4.522 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.732 -5.293 6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.920 -2.335 6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.642 -1.385 5.799 1.00 0.00 H new ATOM 943 N GLU A 68 -13.683 -6.017 5.020 1.00 0.00 N ATOM 944 CA GLU A 68 -14.805 -5.841 5.927 1.00 0.00 C ATOM 945 C GLU A 68 -15.240 -7.191 6.501 1.00 0.00 C ATOM 946 O GLU A 68 -15.599 -7.284 7.674 1.00 0.00 O ATOM 947 CB GLU A 68 -15.972 -5.143 5.226 1.00 0.00 C ATOM 948 CG GLU A 68 -17.204 -5.092 6.132 1.00 0.00 C ATOM 949 CD GLU A 68 -18.360 -5.894 5.530 1.00 0.00 C ATOM 950 OE1 GLU A 68 -18.370 -7.125 5.748 1.00 0.00 O ATOM 951 OE2 GLU A 68 -19.208 -5.258 4.867 1.00 0.00 O ATOM 0 H GLU A 68 -13.873 -5.758 4.052 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.484 -5.203 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.680 -4.131 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.216 -5.671 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -16.954 -5.490 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -17.511 -4.056 6.276 1.00 0.00 H new ATOM 958 N THR A 69 -15.192 -8.204 5.648 1.00 0.00 N ATOM 959 CA THR A 69 -15.576 -9.545 6.057 1.00 0.00 C ATOM 960 C THR A 69 -14.570 -10.104 7.065 1.00 0.00 C ATOM 961 O THR A 69 -14.957 -10.732 8.050 1.00 0.00 O ATOM 962 CB THR A 69 -15.713 -10.402 4.797 1.00 0.00 C ATOM 963 OG1 THR A 69 -16.343 -9.537 3.855 1.00 0.00 O ATOM 964 CG2 THR A 69 -16.710 -11.548 4.974 1.00 0.00 C ATOM 0 H THR A 69 -14.893 -8.123 4.676 1.00 0.00 H new ATOM 0 HA THR A 69 -16.537 -9.542 6.572 1.00 0.00 H new ATOM 0 HB THR A 69 -14.738 -10.807 4.527 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.614 -10.053 3.067 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.769 -12.125 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 69 -16.379 -12.196 5.786 1.00 0.00 H new ATOM 0 HG23 THR A 69 -17.693 -11.142 5.212 1.00 0.00 H new ATOM 972 N ALA A 70 -13.300 -9.856 6.785 1.00 0.00 N ATOM 973 CA ALA A 70 -12.236 -10.327 7.655 1.00 0.00 C ATOM 974 C ALA A 70 -12.300 -9.574 8.986 1.00 0.00 C ATOM 975 O ALA A 70 -12.090 -10.161 10.046 1.00 0.00 O ATOM 976 CB ALA A 70 -10.887 -10.154 6.953 1.00 0.00 C ATOM 0 H ALA A 70 -12.983 -9.335 5.968 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.359 -11.389 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.089 -10.507 7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.881 -10.731 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.728 -9.100 6.724 1.00 0.00 H new ATOM 982 N LEU A 71 -12.591 -8.285 8.886 1.00 0.00 N ATOM 983 CA LEU A 71 -12.686 -7.446 10.069 1.00 0.00 C ATOM 984 C LEU A 71 -13.923 -7.846 10.875 1.00 0.00 C ATOM 985 O LEU A 71 -13.863 -7.953 12.099 1.00 0.00 O ATOM 986 CB LEU A 71 -12.658 -5.967 9.679 1.00 0.00 C ATOM 987 CG LEU A 71 -11.323 -5.246 9.878 1.00 0.00 C ATOM 988 CD1 LEU A 71 -11.331 -3.879 9.190 1.00 0.00 C ATOM 989 CD2 LEU A 71 -10.975 -5.138 11.364 1.00 0.00 C ATOM 0 H LEU A 71 -12.764 -7.801 8.005 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.822 -7.599 10.715 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.941 -5.883 8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.420 -5.445 10.257 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.540 -5.839 9.406 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.371 -3.387 9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.501 -4.010 8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.126 -3.264 9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.022 -4.622 11.478 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.755 -4.578 11.881 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.900 -6.137 11.794 1.00 0.00 H new ATOM 1001 N SER A 72 -15.016 -8.057 10.156 1.00 0.00 N ATOM 1002 CA SER A 72 -16.265 -8.444 10.790 1.00 0.00 C ATOM 1003 C SER A 72 -16.106 -9.802 11.476 1.00 0.00 C ATOM 1004 O SER A 72 -16.645 -10.020 12.560 1.00 0.00 O ATOM 1005 CB SER A 72 -17.406 -8.494 9.772 1.00 0.00 C ATOM 1006 OG SER A 72 -17.969 -7.206 9.535 1.00 0.00 O ATOM 0 H SER A 72 -15.062 -7.967 9.141 1.00 0.00 H new ATOM 0 HA SER A 72 -16.515 -7.693 11.540 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.036 -8.906 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 72 -18.183 -9.168 10.132 1.00 0.00 H new ATOM 0 HG SER A 72 -17.456 -6.748 8.836 1.00 0.00 H new ATOM 1012 N ALA A 73 -15.364 -10.679 10.817 1.00 0.00 N ATOM 1013 CA ALA A 73 -15.126 -12.009 11.350 1.00 0.00 C ATOM 1014 C ALA A 73 -14.280 -11.902 12.620 1.00 0.00 C ATOM 1015 O ALA A 73 -14.497 -12.641 13.579 1.00 0.00 O ATOM 1016 CB ALA A 73 -14.463 -12.878 10.279 1.00 0.00 C ATOM 0 H ALA A 73 -14.919 -10.494 9.918 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.067 -12.487 11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.285 -13.876 10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.118 -12.947 9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.514 -12.431 9.984 1.00 0.00 H new ATOM 1022 N MET A 74 -13.334 -10.976 12.585 1.00 0.00 N ATOM 1023 CA MET A 74 -12.454 -10.762 13.722 1.00 0.00 C ATOM 1024 C MET A 74 -13.244 -10.300 14.948 1.00 0.00 C ATOM 1025 O MET A 74 -13.054 -10.821 16.046 1.00 0.00 O ATOM 1026 CB MET A 74 -11.404 -9.708 13.364 1.00 0.00 C ATOM 1027 CG MET A 74 -9.989 -10.248 13.581 1.00 0.00 C ATOM 1028 SD MET A 74 -9.026 -9.076 14.523 1.00 0.00 S ATOM 1029 CE MET A 74 -8.501 -7.983 13.213 1.00 0.00 C ATOM 0 H MET A 74 -13.157 -10.365 11.788 1.00 0.00 H new ATOM 0 HA MET A 74 -11.966 -11.707 13.963 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.526 -9.406 12.324 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.555 -8.817 13.974 1.00 0.00 H new ATOM 0 HG2 MET A 74 -10.032 -11.202 14.107 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.511 -10.435 12.620 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.709 -7.330 13.579 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.128 -8.572 12.375 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.346 -7.378 12.883 1.00 0.00 H new ATOM 1039 N ARG A 75 -14.114 -9.327 14.719 1.00 0.00 N ATOM 1040 CA ARG A 75 -14.934 -8.789 15.791 1.00 0.00 C ATOM 1041 C ARG A 75 -16.094 -9.738 16.099 1.00 0.00 C ATOM 1042 O ARG A 75 -16.618 -9.743 17.212 1.00 0.00 O ATOM 1043 CB ARG A 75 -15.493 -7.414 15.421 1.00 0.00 C ATOM 1044 CG ARG A 75 -16.378 -6.862 16.540 1.00 0.00 C ATOM 1045 CD ARG A 75 -16.464 -5.336 16.468 1.00 0.00 C ATOM 1046 NE ARG A 75 -17.530 -4.846 17.371 1.00 0.00 N ATOM 1047 CZ ARG A 75 -18.838 -4.891 17.083 1.00 0.00 C ATOM 1048 NH1 ARG A 75 -19.249 -5.404 15.915 1.00 0.00 N ATOM 1049 NH2 ARG A 75 -19.734 -4.424 17.962 1.00 0.00 N ATOM 0 H ARG A 75 -14.269 -8.897 13.807 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.301 -8.685 16.672 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.672 -6.724 15.228 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.070 -7.488 14.499 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.377 -7.290 16.463 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.976 -7.162 17.508 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.507 -4.896 16.749 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.671 -5.023 15.445 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.251 -4.449 18.268 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.566 -5.760 15.246 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -20.244 -5.439 15.695 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.421 -4.034 18.851 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.730 -4.458 17.743 1.00 0.00 H new ATOM 1063 N ASN A 76 -16.462 -10.518 15.093 1.00 0.00 N ATOM 1064 CA ASN A 76 -17.550 -11.468 15.243 1.00 0.00 C ATOM 1065 C ASN A 76 -17.057 -12.682 16.032 1.00 0.00 C ATOM 1066 O ASN A 76 -17.818 -13.291 16.783 1.00 0.00 O ATOM 1067 CB ASN A 76 -18.044 -11.959 13.880 1.00 0.00 C ATOM 1068 CG ASN A 76 -19.096 -11.009 13.303 1.00 0.00 C ATOM 1069 OD1 ASN A 76 -18.892 -9.730 13.604 1.00 0.00 O flip ATOM 1070 ND2 ASN A 76 -20.030 -11.412 12.630 1.00 0.00 N flip ATOM 0 H ASN A 76 -16.026 -10.511 14.171 1.00 0.00 H new ATOM 0 HA ASN A 76 -18.366 -10.967 15.764 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -17.203 -12.038 13.191 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -18.468 -12.958 13.981 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -20.127 -12.409 12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -20.714 -10.752 12.260 1.00 0.00 H new ATOM 1077 N LEU A 77 -15.785 -12.999 15.836 1.00 0.00 N ATOM 1078 CA LEU A 77 -15.181 -14.129 16.520 1.00 0.00 C ATOM 1079 C LEU A 77 -14.248 -13.616 17.618 1.00 0.00 C ATOM 1080 O LEU A 77 -14.682 -13.375 18.744 1.00 0.00 O ATOM 1081 CB LEU A 77 -14.497 -15.060 15.517 1.00 0.00 C ATOM 1082 CG LEU A 77 -15.427 -15.880 14.620 1.00 0.00 C ATOM 1083 CD1 LEU A 77 -15.977 -15.026 13.476 1.00 0.00 C ATOM 1084 CD2 LEU A 77 -14.725 -17.140 14.109 1.00 0.00 C ATOM 0 H LEU A 77 -15.156 -12.492 15.213 1.00 0.00 H new ATOM 0 HA LEU A 77 -15.947 -14.732 17.008 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.846 -14.460 14.880 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.857 -15.748 16.069 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.279 -16.206 15.217 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.635 -15.632 12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.538 -14.186 13.886 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.151 -14.651 12.872 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.408 -17.705 13.474 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.844 -16.857 13.533 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.423 -17.757 14.955 1.00 0.00 H new ATOM 1096 N ASN A 78 -12.984 -13.464 17.253 1.00 0.00 N ATOM 1097 CA ASN A 78 -11.985 -12.983 18.193 1.00 0.00 C ATOM 1098 C ASN A 78 -12.273 -13.566 19.578 1.00 0.00 C ATOM 1099 O ASN A 78 -12.955 -12.942 20.389 1.00 0.00 O ATOM 1100 CB ASN A 78 -12.023 -11.458 18.305 1.00 0.00 C ATOM 1101 CG ASN A 78 -11.437 -10.991 19.639 1.00 0.00 C ATOM 1102 OD1 ASN A 78 -10.391 -11.441 20.078 1.00 0.00 O ATOM 1103 ND2 ASN A 78 -12.166 -10.067 20.257 1.00 0.00 N ATOM 0 H ASN A 78 -12.628 -13.665 16.319 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.005 -13.293 17.832 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.461 -11.015 17.482 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.051 -11.109 18.213 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.859 -9.691 21.154 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.032 -9.734 19.834 1.00 0.00 H new ATOM 1110 N GLY A 79 -11.739 -14.757 19.807 1.00 0.00 N ATOM 1111 CA GLY A 79 -11.930 -15.431 21.080 1.00 0.00 C ATOM 1112 C GLY A 79 -13.291 -16.128 21.132 1.00 0.00 C ATOM 1113 O GLY A 79 -13.927 -16.175 22.184 1.00 0.00 O ATOM 0 H GLY A 79 -11.174 -15.273 19.132 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.136 -16.163 21.231 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.856 -14.709 21.893 1.00 0.00 H new ATOM 1117 N ARG A 80 -13.697 -16.651 19.985 1.00 0.00 N ATOM 1118 CA ARG A 80 -14.970 -17.343 19.887 1.00 0.00 C ATOM 1119 C ARG A 80 -14.801 -18.820 20.249 1.00 0.00 C ATOM 1120 O ARG A 80 -14.026 -19.534 19.614 1.00 0.00 O ATOM 1121 CB ARG A 80 -15.549 -17.234 18.475 1.00 0.00 C ATOM 1122 CG ARG A 80 -17.034 -16.869 18.518 1.00 0.00 C ATOM 1123 CD ARG A 80 -17.905 -18.061 18.116 1.00 0.00 C ATOM 1124 NE ARG A 80 -17.622 -18.445 16.715 1.00 0.00 N ATOM 1125 CZ ARG A 80 -18.480 -19.113 15.932 1.00 0.00 C ATOM 1126 NH1 ARG A 80 -19.678 -19.476 16.408 1.00 0.00 N ATOM 1127 NH2 ARG A 80 -18.138 -19.418 14.673 1.00 0.00 N ATOM 0 H ARG A 80 -13.166 -16.609 19.115 1.00 0.00 H new ATOM 0 HA ARG A 80 -15.659 -16.870 20.587 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.001 -16.479 17.911 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.419 -18.181 17.951 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -17.302 -16.541 19.522 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -17.226 -16.032 17.847 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.711 -18.904 18.779 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -18.959 -17.805 18.226 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.718 -18.185 16.321 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.937 -19.244 17.367 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.331 -19.984 15.812 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.225 -19.142 14.311 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.790 -19.926 14.076 1.00 0.00 H new ATOM 1141 N GLU A 81 -15.539 -19.235 21.268 1.00 0.00 N ATOM 1142 CA GLU A 81 -15.480 -20.614 21.722 1.00 0.00 C ATOM 1143 C GLU A 81 -15.873 -21.563 20.588 1.00 0.00 C ATOM 1144 O GLU A 81 -16.788 -21.273 19.820 1.00 0.00 O ATOM 1145 CB GLU A 81 -16.371 -20.826 22.948 1.00 0.00 C ATOM 1146 CG GLU A 81 -16.149 -19.723 23.985 1.00 0.00 C ATOM 1147 CD GLU A 81 -17.476 -19.080 24.394 1.00 0.00 C ATOM 1148 OE1 GLU A 81 -17.890 -18.135 23.689 1.00 0.00 O ATOM 1149 OE2 GLU A 81 -18.046 -19.549 25.403 1.00 0.00 O ATOM 0 H GLU A 81 -16.181 -18.640 21.792 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.454 -20.836 22.016 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.418 -20.838 22.644 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -16.157 -21.797 23.394 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.656 -20.139 24.864 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.483 -18.963 23.576 1.00 0.00 H new ATOM 1156 N PHE A 82 -15.160 -22.678 20.520 1.00 0.00 N ATOM 1157 CA PHE A 82 -15.423 -23.672 19.493 1.00 0.00 C ATOM 1158 C PHE A 82 -14.635 -24.957 19.758 1.00 0.00 C ATOM 1159 O PHE A 82 -13.406 -24.936 19.809 1.00 0.00 O ATOM 1160 CB PHE A 82 -14.963 -23.072 18.162 1.00 0.00 C ATOM 1161 CG PHE A 82 -15.110 -24.019 16.969 1.00 0.00 C ATOM 1162 CD1 PHE A 82 -14.142 -24.938 16.707 1.00 0.00 C ATOM 1163 CD2 PHE A 82 -16.208 -23.941 16.171 1.00 0.00 C ATOM 1164 CE1 PHE A 82 -14.278 -25.816 15.600 1.00 0.00 C ATOM 1165 CE2 PHE A 82 -16.345 -24.820 15.063 1.00 0.00 C ATOM 1166 CZ PHE A 82 -15.377 -25.739 14.801 1.00 0.00 C ATOM 0 H PHE A 82 -14.401 -22.915 21.159 1.00 0.00 H new ATOM 0 HA PHE A 82 -16.484 -23.924 19.482 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.536 -22.166 17.966 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.918 -22.775 18.251 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -13.270 -25.000 17.341 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.976 -23.211 16.379 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.509 -26.545 15.392 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.217 -24.758 14.429 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.481 -26.407 13.959 1.00 0.00 H new ATOM 1218 N ALA A 86 -11.301 -21.402 22.664 1.00 0.00 N ATOM 1219 CA ALA A 86 -11.548 -20.075 22.126 1.00 0.00 C ATOM 1220 C ALA A 86 -10.727 -19.887 20.849 1.00 0.00 C ATOM 1221 O ALA A 86 -9.552 -20.250 20.802 1.00 0.00 O ATOM 1222 CB ALA A 86 -11.222 -19.024 23.189 1.00 0.00 C ATOM 0 HA ALA A 86 -12.599 -19.957 21.863 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.407 -18.029 22.785 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.852 -19.184 24.064 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.174 -19.110 23.476 1.00 0.00 H new ATOM 1228 N LEU A 87 -11.377 -19.319 19.844 1.00 0.00 N ATOM 1229 CA LEU A 87 -10.722 -19.078 18.570 1.00 0.00 C ATOM 1230 C LEU A 87 -10.117 -17.672 18.570 1.00 0.00 C ATOM 1231 O LEU A 87 -10.785 -16.705 18.208 1.00 0.00 O ATOM 1232 CB LEU A 87 -11.691 -19.330 17.413 1.00 0.00 C ATOM 1233 CG LEU A 87 -11.503 -20.646 16.655 1.00 0.00 C ATOM 1234 CD1 LEU A 87 -12.851 -21.303 16.354 1.00 0.00 C ATOM 1235 CD2 LEU A 87 -10.672 -20.435 15.387 1.00 0.00 C ATOM 0 H LEU A 87 -12.351 -19.019 19.886 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.900 -19.779 18.426 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.708 -19.301 17.804 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.599 -18.508 16.703 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.947 -21.332 17.294 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.689 -22.236 15.815 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.372 -21.510 17.289 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.455 -20.632 15.743 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.553 -21.386 14.867 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.179 -19.725 14.734 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.691 -20.044 15.656 1.00 0.00 H new ATOM 1247 N ARG A 88 -8.859 -17.604 18.981 1.00 0.00 N ATOM 1248 CA ARG A 88 -8.157 -16.334 19.033 1.00 0.00 C ATOM 1249 C ARG A 88 -7.940 -15.788 17.620 1.00 0.00 C ATOM 1250 O ARG A 88 -7.012 -16.202 16.927 1.00 0.00 O ATOM 1251 CB ARG A 88 -6.802 -16.481 19.729 1.00 0.00 C ATOM 1252 CG ARG A 88 -6.721 -15.586 20.967 1.00 0.00 C ATOM 1253 CD ARG A 88 -6.996 -16.386 22.241 1.00 0.00 C ATOM 1254 NE ARG A 88 -7.766 -15.563 23.200 1.00 0.00 N ATOM 1255 CZ ARG A 88 -8.497 -16.065 24.204 1.00 0.00 C ATOM 1256 NH1 ARG A 88 -8.562 -17.391 24.387 1.00 0.00 N ATOM 1257 NH2 ARG A 88 -9.163 -15.242 25.025 1.00 0.00 N ATOM 0 H ARG A 88 -8.308 -18.408 19.281 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.773 -15.639 19.604 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.648 -17.521 20.017 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -6.003 -16.221 19.035 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.733 -15.130 21.026 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.443 -14.774 20.881 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.552 -17.292 21.998 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.055 -16.701 22.693 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.738 -14.549 23.090 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.055 -18.018 23.762 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.118 -17.774 25.151 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.114 -14.233 24.886 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.720 -15.625 25.789 1.00 0.00 H new ATOM 1271 N VAL A 89 -8.811 -14.868 17.235 1.00 0.00 N ATOM 1272 CA VAL A 89 -8.727 -14.262 15.917 1.00 0.00 C ATOM 1273 C VAL A 89 -8.213 -12.827 16.053 1.00 0.00 C ATOM 1274 O VAL A 89 -8.828 -12.005 16.730 1.00 0.00 O ATOM 1275 CB VAL A 89 -10.083 -14.347 15.214 1.00 0.00 C ATOM 1276 CG1 VAL A 89 -9.998 -13.793 13.790 1.00 0.00 C ATOM 1277 CG2 VAL A 89 -10.611 -15.783 15.214 1.00 0.00 C ATOM 0 H VAL A 89 -9.579 -14.527 17.813 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.018 -14.804 15.292 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.789 -13.731 15.771 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.975 -13.865 13.313 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.687 -12.749 13.824 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.271 -14.370 13.218 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.576 -15.816 14.708 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.906 -16.430 14.692 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.728 -16.128 16.241 1.00 0.00 H new ATOM 1287 N ASP A 90 -7.090 -12.570 15.397 1.00 0.00 N ATOM 1288 CA ASP A 90 -6.486 -11.249 15.436 1.00 0.00 C ATOM 1289 C ASP A 90 -5.912 -10.915 14.058 1.00 0.00 C ATOM 1290 O ASP A 90 -5.569 -11.813 13.290 1.00 0.00 O ATOM 1291 CB ASP A 90 -5.342 -11.196 16.451 1.00 0.00 C ATOM 1292 CG ASP A 90 -5.164 -12.462 17.291 1.00 0.00 C ATOM 1293 OD1 ASP A 90 -6.205 -13.033 17.684 1.00 0.00 O ATOM 1294 OD2 ASP A 90 -3.992 -12.829 17.523 1.00 0.00 O ATOM 0 H ASP A 90 -6.583 -13.254 14.836 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.257 -10.534 15.724 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.412 -10.998 15.918 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.510 -10.354 17.122 1.00 0.00 H new ATOM 1299 N ASN A 91 -5.825 -9.621 13.786 1.00 0.00 N ATOM 1300 CA ASN A 91 -5.298 -9.158 12.514 1.00 0.00 C ATOM 1301 C ASN A 91 -4.017 -9.928 12.186 1.00 0.00 C ATOM 1302 O ASN A 91 -3.033 -9.845 12.921 1.00 0.00 O ATOM 1303 CB ASN A 91 -4.952 -7.668 12.571 1.00 0.00 C ATOM 1304 CG ASN A 91 -5.577 -6.915 11.395 1.00 0.00 C ATOM 1305 OD1 ASN A 91 -6.713 -6.472 11.441 1.00 0.00 O ATOM 1306 ND2 ASN A 91 -4.775 -6.797 10.340 1.00 0.00 N ATOM 0 H ASN A 91 -6.111 -8.879 14.425 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.061 -9.323 11.753 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.308 -7.244 13.510 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.869 -7.541 12.555 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.100 -6.312 9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.835 -7.191 10.368 1.00 0.00 H new ATOM 1313 N ALA A 92 -4.070 -10.660 11.083 1.00 0.00 N ATOM 1314 CA ALA A 92 -2.926 -11.444 10.649 1.00 0.00 C ATOM 1315 C ALA A 92 -1.758 -10.506 10.340 1.00 0.00 C ATOM 1316 O ALA A 92 -0.621 -10.952 10.194 1.00 0.00 O ATOM 1317 CB ALA A 92 -3.321 -12.300 9.444 1.00 0.00 C ATOM 0 H ALA A 92 -4.887 -10.727 10.477 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.604 -12.122 11.439 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.463 -12.888 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.134 -12.969 9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.648 -11.653 8.630 1.00 0.00 H new ATOM 1323 N ALA A 93 -2.078 -9.223 10.248 1.00 0.00 N ATOM 1324 CA ALA A 93 -1.070 -8.219 9.959 1.00 0.00 C ATOM 1325 C ALA A 93 -0.634 -7.549 11.263 1.00 0.00 C ATOM 1326 O ALA A 93 -0.364 -6.349 11.290 1.00 0.00 O ATOM 1327 CB ALA A 93 -1.624 -7.215 8.945 1.00 0.00 C ATOM 0 H ALA A 93 -3.022 -8.857 10.369 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.188 -8.679 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.867 -6.461 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.891 -7.736 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.509 -6.732 9.358 1.00 0.00 H new ATOM 1333 N SER A 94 -0.577 -8.354 12.314 1.00 0.00 N ATOM 1334 CA SER A 94 -0.179 -7.854 13.619 1.00 0.00 C ATOM 1335 C SER A 94 1.345 -7.733 13.690 1.00 0.00 C ATOM 1336 O SER A 94 2.061 -8.427 12.970 1.00 0.00 O ATOM 1337 CB SER A 94 -0.691 -8.765 14.737 1.00 0.00 C ATOM 1338 OG SER A 94 -1.636 -8.103 15.574 1.00 0.00 O ATOM 0 H SER A 94 -0.800 -9.349 12.288 1.00 0.00 H new ATOM 0 HA SER A 94 -0.623 -6.868 13.758 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.152 -9.651 14.300 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.150 -9.107 15.340 1.00 0.00 H new ATOM 0 HG SER A 94 -1.940 -8.718 16.274 1.00 0.00 H new ATOM 1344 N GLU A 95 1.795 -6.845 14.564 1.00 0.00 N ATOM 1345 CA GLU A 95 3.221 -6.623 14.738 1.00 0.00 C ATOM 1346 C GLU A 95 3.877 -7.855 15.365 1.00 0.00 C ATOM 1347 O GLU A 95 5.007 -8.202 15.025 1.00 0.00 O ATOM 1348 CB GLU A 95 3.482 -5.374 15.582 1.00 0.00 C ATOM 1349 CG GLU A 95 3.733 -4.154 14.692 1.00 0.00 C ATOM 1350 CD GLU A 95 3.177 -2.882 15.336 1.00 0.00 C ATOM 1351 OE1 GLU A 95 3.207 -2.819 16.584 1.00 0.00 O ATOM 1352 OE2 GLU A 95 2.736 -2.003 14.566 1.00 0.00 O ATOM 0 H GLU A 95 1.198 -6.271 15.159 1.00 0.00 H new ATOM 0 HA GLU A 95 3.666 -6.458 13.757 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.628 -5.185 16.232 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.344 -5.541 16.228 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.803 -4.040 14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.266 -4.307 13.719 1.00 0.00 H new ATOM 1359 N LYS A 96 3.140 -8.482 16.271 1.00 0.00 N ATOM 1360 CA LYS A 96 3.636 -9.668 16.948 1.00 0.00 C ATOM 1361 C LYS A 96 3.522 -10.872 16.010 1.00 0.00 C ATOM 1362 O LYS A 96 4.358 -11.773 16.047 1.00 0.00 O ATOM 1363 CB LYS A 96 2.919 -9.860 18.286 1.00 0.00 C ATOM 1364 CG LYS A 96 1.569 -10.553 18.089 1.00 0.00 C ATOM 1365 CD LYS A 96 0.960 -10.958 19.433 1.00 0.00 C ATOM 1366 CE LYS A 96 -0.543 -11.215 19.299 1.00 0.00 C ATOM 1367 NZ LYS A 96 -0.914 -12.481 19.970 1.00 0.00 N ATOM 0 H LYS A 96 2.204 -8.191 16.552 1.00 0.00 H new ATOM 0 HA LYS A 96 4.692 -9.554 17.192 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.542 -10.453 18.955 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.769 -8.892 18.765 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.887 -9.885 17.563 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.697 -11.436 17.463 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.454 -11.856 19.805 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.134 -10.171 20.167 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.100 -10.387 19.738 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.818 -11.261 18.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.937 -12.640 19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.396 -13.270 19.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.670 -12.423 20.979 1.00 0.00 H new ATOM 1381 N ASN A 97 2.480 -10.847 15.192 1.00 0.00 N ATOM 1382 CA ASN A 97 2.245 -11.925 14.247 1.00 0.00 C ATOM 1383 C ASN A 97 3.317 -11.883 13.156 1.00 0.00 C ATOM 1384 O ASN A 97 3.504 -12.855 12.426 1.00 0.00 O ATOM 1385 CB ASN A 97 0.879 -11.779 13.573 1.00 0.00 C ATOM 1386 CG ASN A 97 1.029 -11.626 12.058 1.00 0.00 C ATOM 1387 OD1 ASN A 97 0.909 -12.572 11.297 1.00 0.00 O ATOM 1388 ND2 ASN A 97 1.297 -10.384 11.664 1.00 0.00 N ATOM 0 H ASN A 97 1.789 -10.097 15.164 1.00 0.00 H new ATOM 0 HA ASN A 97 2.278 -12.867 14.795 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.265 -12.652 13.795 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.359 -10.912 13.980 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.415 -10.178 10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.385 -9.638 12.354 1.00 0.00 H new ATOM 1395 N LYS A 98 3.994 -10.746 13.079 1.00 0.00 N ATOM 1396 CA LYS A 98 5.043 -10.565 12.090 1.00 0.00 C ATOM 1397 C LYS A 98 6.127 -11.623 12.303 1.00 0.00 C ATOM 1398 O LYS A 98 6.786 -12.042 11.353 1.00 0.00 O ATOM 1399 CB LYS A 98 5.569 -9.129 12.124 1.00 0.00 C ATOM 1400 CG LYS A 98 5.520 -8.494 10.733 1.00 0.00 C ATOM 1401 CD LYS A 98 4.232 -7.691 10.541 1.00 0.00 C ATOM 1402 CE LYS A 98 4.014 -7.348 9.066 1.00 0.00 C ATOM 1403 NZ LYS A 98 2.953 -8.201 8.487 1.00 0.00 N ATOM 0 H LYS A 98 3.836 -9.941 13.686 1.00 0.00 H new ATOM 0 HA LYS A 98 4.648 -10.711 11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.974 -8.536 12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.594 -9.122 12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.383 -7.842 10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.585 -9.272 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.383 -8.264 10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.280 -6.774 11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.739 -6.298 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.943 -7.487 8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.818 -7.955 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.230 -9.200 8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.064 -8.048 9.004 1.00 0.00 H new ATOM 1417 N GLU A 99 6.280 -12.023 13.557 1.00 0.00 N ATOM 1418 CA GLU A 99 7.274 -13.024 13.907 1.00 0.00 C ATOM 1419 C GLU A 99 6.853 -14.397 13.379 1.00 0.00 C ATOM 1420 O GLU A 99 7.688 -15.165 12.903 1.00 0.00 O ATOM 1421 CB GLU A 99 7.503 -13.064 15.419 1.00 0.00 C ATOM 1422 CG GLU A 99 8.766 -13.856 15.762 1.00 0.00 C ATOM 1423 CD GLU A 99 9.947 -12.920 16.023 1.00 0.00 C ATOM 1424 OE1 GLU A 99 10.201 -12.068 15.143 1.00 0.00 O ATOM 1425 OE2 GLU A 99 10.569 -13.076 17.095 1.00 0.00 O ATOM 0 H GLU A 99 5.733 -11.672 14.343 1.00 0.00 H new ATOM 0 HA GLU A 99 8.219 -12.750 13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.591 -12.048 15.804 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.641 -13.517 15.909 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.585 -14.473 16.642 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.008 -14.533 14.943 1.00 0.00 H new ATOM 1432 N GLU A 100 5.560 -14.664 13.483 1.00 0.00 N ATOM 1433 CA GLU A 100 5.018 -15.931 13.022 1.00 0.00 C ATOM 1434 C GLU A 100 5.007 -15.979 11.493 1.00 0.00 C ATOM 1435 O GLU A 100 5.378 -16.989 10.897 1.00 0.00 O ATOM 1436 CB GLU A 100 3.617 -16.167 13.589 1.00 0.00 C ATOM 1437 CG GLU A 100 3.675 -16.470 15.087 1.00 0.00 C ATOM 1438 CD GLU A 100 2.432 -15.938 15.803 1.00 0.00 C ATOM 1439 OE1 GLU A 100 1.341 -16.479 15.522 1.00 0.00 O ATOM 1440 OE2 GLU A 100 2.601 -15.003 16.615 1.00 0.00 O ATOM 0 H GLU A 100 4.871 -14.025 13.880 1.00 0.00 H new ATOM 0 HA GLU A 100 5.661 -16.733 13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.998 -15.287 13.416 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.144 -16.997 13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 100 3.755 -17.546 15.241 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.569 -16.019 15.518 1.00 0.00 H new ATOM 1447 N LEU A 101 4.576 -14.874 10.902 1.00 0.00 N ATOM 1448 CA LEU A 101 4.511 -14.777 9.453 1.00 0.00 C ATOM 1449 C LEU A 101 5.916 -14.942 8.872 1.00 0.00 C ATOM 1450 O LEU A 101 6.089 -15.564 7.825 1.00 0.00 O ATOM 1451 CB LEU A 101 3.820 -13.478 9.034 1.00 0.00 C ATOM 1452 CG LEU A 101 2.329 -13.586 8.707 1.00 0.00 C ATOM 1453 CD1 LEU A 101 1.635 -12.231 8.858 1.00 0.00 C ATOM 1454 CD2 LEU A 101 2.115 -14.188 7.317 1.00 0.00 C ATOM 0 H LEU A 101 4.268 -14.039 11.400 1.00 0.00 H new ATOM 0 HA LEU A 101 3.900 -15.582 9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.944 -12.749 9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.336 -13.081 8.159 1.00 0.00 H new ATOM 0 HG LEU A 101 1.870 -14.265 9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.577 -12.336 8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.743 -11.879 9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.090 -11.511 8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.047 -14.254 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.592 -13.555 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.554 -15.185 7.281 1.00 0.00 H new ATOM 1466 N LYS A 102 6.884 -14.375 9.577 1.00 0.00 N ATOM 1467 CA LYS A 102 8.269 -14.451 9.143 1.00 0.00 C ATOM 1468 C LYS A 102 8.582 -15.882 8.703 1.00 0.00 C ATOM 1469 O LYS A 102 9.410 -16.096 7.818 1.00 0.00 O ATOM 1470 CB LYS A 102 9.202 -13.926 10.236 1.00 0.00 C ATOM 1471 CG LYS A 102 9.656 -12.497 9.929 1.00 0.00 C ATOM 1472 CD LYS A 102 10.904 -12.497 9.044 1.00 0.00 C ATOM 1473 CE LYS A 102 10.683 -11.655 7.786 1.00 0.00 C ATOM 1474 NZ LYS A 102 11.225 -12.349 6.596 1.00 0.00 N ATOM 0 H LYS A 102 6.737 -13.861 10.446 1.00 0.00 H new ATOM 0 HA LYS A 102 8.434 -13.807 8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.691 -13.950 11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.072 -14.578 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.852 -11.955 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.866 -11.970 10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.752 -12.104 9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.155 -13.520 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.618 -11.466 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.167 -10.685 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.067 -11.764 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.245 -12.508 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.744 -13.264 6.479 1.00 0.00 H new ATOM 1488 N SER A 103 7.905 -16.826 9.340 1.00 0.00 N ATOM 1489 CA SER A 103 8.101 -18.231 9.025 1.00 0.00 C ATOM 1490 C SER A 103 7.205 -18.633 7.851 1.00 0.00 C ATOM 1491 O SER A 103 7.602 -19.439 7.011 1.00 0.00 O ATOM 1492 CB SER A 103 7.812 -19.113 10.241 1.00 0.00 C ATOM 1493 OG SER A 103 9.000 -19.449 10.951 1.00 0.00 O ATOM 0 H SER A 103 7.220 -16.645 10.073 1.00 0.00 H new ATOM 0 HA SER A 103 9.144 -18.377 8.744 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.124 -18.595 10.909 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.313 -20.026 9.916 1.00 0.00 H new ATOM 0 HG SER A 103 8.773 -20.011 11.721 1.00 0.00 H new ATOM 1499 N LEU A 104 6.014 -18.054 7.832 1.00 0.00 N ATOM 1500 CA LEU A 104 5.059 -18.343 6.775 1.00 0.00 C ATOM 1501 C LEU A 104 5.356 -17.451 5.568 1.00 0.00 C ATOM 1502 O LEU A 104 4.589 -17.426 4.607 1.00 0.00 O ATOM 1503 CB LEU A 104 3.627 -18.214 7.297 1.00 0.00 C ATOM 1504 CG LEU A 104 2.698 -19.395 7.007 1.00 0.00 C ATOM 1505 CD1 LEU A 104 3.331 -20.713 7.455 1.00 0.00 C ATOM 1506 CD2 LEU A 104 1.321 -19.177 7.638 1.00 0.00 C ATOM 0 H LEU A 104 5.688 -17.386 8.531 1.00 0.00 H new ATOM 0 HA LEU A 104 5.160 -19.376 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.667 -18.065 8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.184 -17.315 6.867 1.00 0.00 H new ATOM 0 HG LEU A 104 2.552 -19.458 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.650 -21.536 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.268 -20.867 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.526 -20.677 8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.680 -20.031 7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.428 -19.073 8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.873 -18.271 7.229 1.00 0.00 H new